smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc2cc(CN(Cc3ccc4c(c3)OCO4)S(=O)(=O)c3ccccc3[N+](=O)[O-])c(=O)[nH]c12 ZINC000000913563 551570705 /nfs/dbraw/zinc/57/07/05/551570705.db2.gz DLAPSVBUACLNNR-UHFFFAOYSA-N 0 0 507.524 3.865 40 5 KHBBRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1)OCCO3 ZINC000000919368 551573504 /nfs/dbraw/zinc/57/35/04/551573504.db2.gz RRQBKFRBXSGSAU-UHFFFAOYSA-N 0 0 507.524 3.599 40 5 KHBBRN COc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000919589 551573965 /nfs/dbraw/zinc/57/39/65/551573965.db2.gz WUISKSMXBGJSDX-UHFFFAOYSA-N 0 0 537.550 3.607 40 5 KHBBRN COc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(=O)[nH]c2c1 ZINC000001221842 551628025 /nfs/dbraw/zinc/62/80/25/551628025.db2.gz UFYSJFUFBWIRLY-UHFFFAOYSA-N 0 0 523.523 3.565 40 5 KHBBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(OC(C)=O)cc3)N3c4ccccc4C=C[C@H]23)C1O ZINC000001314719 551640332 /nfs/dbraw/zinc/64/03/32/551640332.db2.gz HVXXGUUWVXSRDE-WELLZUMNSA-N 0 0 553.527 3.801 40 5 KHBBRN CC(C)(C)c1ccc(Cn2nnc3c2nc(C2CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC2)[nH]c3=O)cc1 ZINC000001324730 551642563 /nfs/dbraw/zinc/64/25/63/551642563.db2.gz DEQKVXYZUKKSGC-UHFFFAOYSA-N 0 0 515.574 3.788 40 5 KHBBRN CC(C)(C)c1ccc(Cn2nnc3c2nc(C2CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC2)[nH]c3=O)cc1 ZINC000001324732 551642484 /nfs/dbraw/zinc/64/24/84/551642484.db2.gz GAUPETXRXCJIAB-UHFFFAOYSA-N 0 0 515.574 3.788 40 5 KHBBRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[nH]2)CC1 ZINC000001325000 551642491 /nfs/dbraw/zinc/64/24/91/551642491.db2.gz ZUOJZROIVJJUFY-UHFFFAOYSA-N 0 0 528.356 3.798 40 5 KHBBRN CCOc1cc(/C=C2\N=C(c3ccccc3[N+](=O)[O-])OC2=O)cc(I)c1OC(C)=O ZINC000001431058 551669913 /nfs/dbraw/zinc/66/99/13/551669913.db2.gz NLFAKLGZJATZQJ-DHDCSXOGSA-N 0 0 522.251 3.868 40 5 KHBBRN Cc1ccc(S(=O)(=O)Oc2nc3nc4ccccc4nc3nc2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001642641 551687352 /nfs/dbraw/zinc/68/73/52/551687352.db2.gz CPZKCOVBWFYTQJ-UHFFFAOYSA-N 0 0 522.564 3.725 40 5 KHBBRN CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)/c1=N\C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000001886707 551725904 /nfs/dbraw/zinc/72/59/04/551725904.db2.gz KHSAFIMSXSKMKK-QCWLDUFUSA-N 0 0 547.568 3.519 40 5 KHBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)/c1=N/C(=O)c1ccccc1OCC ZINC000002199249 551792505 /nfs/dbraw/zinc/79/25/05/551792505.db2.gz DFZBWMTWPFTTIP-GKPLWNPISA-N 0 0 532.597 3.781 40 5 KHBBRN O=c1[nH]c2c(s1)[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]1S2 ZINC000002205229 551793232 /nfs/dbraw/zinc/79/32/32/551793232.db2.gz LFODMOSKFXPBHF-FMKPAKJESA-N 0 0 518.370 3.903 40 5 KHBBRN O=c1[nH]c2c(s1)[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]1S2 ZINC000002205359 551793225 /nfs/dbraw/zinc/79/32/25/551793225.db2.gz SKOIOUSSWIJRGM-FMKPAKJESA-N 0 0 518.370 3.903 40 5 KHBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)/c1=N/C(=O)c1ccc(OCC)cc1 ZINC000002409871 552113425 /nfs/dbraw/zinc/11/34/25/552113425.db2.gz SZSCRTSUXGRJOV-GKPLWNPISA-N 0 0 532.597 3.781 40 5 KHBBRN CC(C)(C)C(=O)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)OC(C)(C)OC2=O)[C@H]2c3ccccc3C=NN12 ZINC000002416532 552114887 /nfs/dbraw/zinc/11/48/87/552114887.db2.gz WMCDJMOXEDKQEE-PWRODBHTSA-N 0 0 505.527 3.889 40 5 KHBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000002681603 552155500 /nfs/dbraw/zinc/15/55/00/552155500.db2.gz NCDPEZRXJPAMAK-VLOXRPPESA-N 0 0 509.609 3.817 40 5 KHBBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000002681605 552155527 /nfs/dbraw/zinc/15/55/27/552155527.db2.gz NCDPEZRXJPAMAK-WLJFKGHSSA-N 0 0 509.609 3.817 40 5 KHBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000002681651 552155541 /nfs/dbraw/zinc/15/55/41/552155541.db2.gz FTSGIAOPLDVWOQ-VLOXRPPESA-N 0 0 509.609 3.817 40 5 KHBBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000002681653 552155531 /nfs/dbraw/zinc/15/55/31/552155531.db2.gz FTSGIAOPLDVWOQ-WLJFKGHSSA-N 0 0 509.609 3.817 40 5 KHBBRN Cc1ccc(S(=O)(=O)c2c(N)n(CCNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c3nc4ccccc4nc32)cc1 ZINC000003267620 552330350 /nfs/dbraw/zinc/33/03/50/552330350.db2.gz PTRASXRZIPUHNE-UHFFFAOYSA-N 0 0 575.563 3.554 40 5 KHBBRN CCS(=O)(=O)c1c(C(=O)c2ccc([N+](=O)[O-])cc2)n2ccc3ccccc3c2c1S(=O)(=O)CC ZINC000003670059 552410926 /nfs/dbraw/zinc/41/09/26/552410926.db2.gz GNWUEPUGHPNJMU-UHFFFAOYSA-N 0 0 500.554 3.819 40 5 KHBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1(c3ccccc3)C=CC2[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21 ZINC000004015820 552427077 /nfs/dbraw/zinc/42/70/77/552427077.db2.gz GTPYJKMRCMYSKN-JEXVVCLHSA-N 0 0 564.510 3.552 40 5 KHBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1(c3ccccc3)C=CC2[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21 ZINC000004015821 552427048 /nfs/dbraw/zinc/42/70/48/552427048.db2.gz GTPYJKMRCMYSKN-WRICXAJSSA-N 0 0 564.510 3.552 40 5 KHBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1(c3ccccc3)C=CC2[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21 ZINC000004015822 552426990 /nfs/dbraw/zinc/42/69/90/552426990.db2.gz GTPYJKMRCMYSKN-OCWKPRLDSA-N 0 0 564.510 3.552 40 5 KHBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1(c3ccccc3)C=CC2[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]21 ZINC000004015823 552427003 /nfs/dbraw/zinc/42/70/03/552427003.db2.gz GTPYJKMRCMYSKN-FDAJIIHZSA-N 0 0 564.510 3.552 40 5 KHBBRN Cc1c(I)c(I)c(I)cc1[N+](=O)[O-] ZINC000004416851 552459752 /nfs/dbraw/zinc/45/97/52/552459752.db2.gz QLIAWQQDEBDNOF-UHFFFAOYSA-N 0 0 514.826 3.717 40 5 KHBBRN COc1c2c(cc3c1[C@H]([C@H]1OC(=O)c4c1c(Br)c(OC)c(OC)c4[N+](=O)[O-])N(C)CC3)OCO2 ZINC000004805054 552487563 /nfs/dbraw/zinc/48/75/63/552487563.db2.gz XYWNWGPQIIFQEI-QAPCUYQASA-N 0 0 537.319 3.553 40 5 KHBBRN COc1c2c(cc3c1[C@@H]([C@H]1OC(=O)c4c1c(Br)c(OC)c(OC)c4[N+](=O)[O-])N(C)CC3)OCO2 ZINC000004805055 552487571 /nfs/dbraw/zinc/48/75/71/552487571.db2.gz XYWNWGPQIIFQEI-YJBOKZPZSA-N 0 0 537.319 3.553 40 5 KHBBRN CO[C@H]1O[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](OCc2ccccc2)[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004946672 552490383 /nfs/dbraw/zinc/49/03/83/552490383.db2.gz YKAKYQJADRLLSD-VNAWGFGGSA-N 0 0 552.492 3.842 40 5 KHBBRN CO[C@@H]1O[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](OCc2ccccc2)[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004946673 552490361 /nfs/dbraw/zinc/49/03/61/552490361.db2.gz YKAKYQJADRLLSD-ZOJNDGCKSA-N 0 0 552.492 3.842 40 5 KHBBRN CO[C@H]1O[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](OCc2ccccc2)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004946674 552490369 /nfs/dbraw/zinc/49/03/69/552490369.db2.gz YKAKYQJADRLLSD-LAOBSVPGSA-N 0 0 552.492 3.842 40 5 KHBBRN CO[C@@H]1O[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](OCc2ccccc2)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004946675 552490304 /nfs/dbraw/zinc/49/03/04/552490304.db2.gz YKAKYQJADRLLSD-AALWMKDKSA-N 0 0 552.492 3.842 40 5 KHBBRN CO[C@H]1O[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1OCc1ccccc1 ZINC000004964185 552490527 /nfs/dbraw/zinc/49/05/27/552490527.db2.gz FOHCZFIFVVCWPX-VNAWGFGGSA-N 0 0 552.492 3.842 40 5 KHBBRN CO[C@@H]1O[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1OCc1ccccc1 ZINC000004964187 552490852 /nfs/dbraw/zinc/49/08/52/552490852.db2.gz FOHCZFIFVVCWPX-ZOJNDGCKSA-N 0 0 552.492 3.842 40 5 KHBBRN CO[C@H]1O[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1OCc1ccccc1 ZINC000004964189 552490886 /nfs/dbraw/zinc/49/08/86/552490886.db2.gz FOHCZFIFVVCWPX-LAOBSVPGSA-N 0 0 552.492 3.842 40 5 KHBBRN CO[C@@H]1O[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1OCc1ccccc1 ZINC000004964191 552490863 /nfs/dbraw/zinc/49/08/63/552490863.db2.gz FOHCZFIFVVCWPX-AALWMKDKSA-N 0 0 552.492 3.842 40 5 KHBBRN CCOC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(C)c2oc3c(C)c(=O)c(N)c(C(=O)N[C@@H](CC(C)C)C(=O)OCC)c-3nc12 ZINC000005081334 552493184 /nfs/dbraw/zinc/49/31/84/552493184.db2.gz KTWHTQJMDFWRKJ-RTWAWAEBSA-N 0 0 610.708 3.907 40 5 KHBBRN CCOC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C)c2oc3c(C)c(=O)c(N)c(C(=O)N[C@@H](CC(C)C)C(=O)OCC)c-3nc12 ZINC000005081336 552493258 /nfs/dbraw/zinc/49/32/58/552493258.db2.gz KTWHTQJMDFWRKJ-SFTDATJTSA-N 0 0 610.708 3.907 40 5 KHBBRN CCOC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(C)c2oc3c(C)c(=O)c(N)c(C(=O)N[C@H](CC(C)C)C(=O)OCC)c-3nc12 ZINC000005081337 552493277 /nfs/dbraw/zinc/49/32/77/552493277.db2.gz KTWHTQJMDFWRKJ-NHCUHLMSSA-N 0 0 610.708 3.907 40 5 KHBBRN CCOC(=O)[C@@H](CC(C)C)NC(=O)c1c(N)c(=O)c(C)c2oc3c(C)ccc(C(=O)N[C@@H](CC(C)C)C(=O)OCC)c3nc1-2 ZINC000005081338 552493298 /nfs/dbraw/zinc/49/32/98/552493298.db2.gz KTWHTQJMDFWRKJ-LEWJYISDSA-N 0 0 610.708 3.907 40 5 KHBBRN CC1(C)OC[C@@H]([C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2COC(C)(C)O2)O1 ZINC000005181850 552494555 /nfs/dbraw/zinc/49/45/55/552494555.db2.gz HRIWUCPABXLWNN-FNAHDJPLSA-N 0 0 560.512 3.557 40 5 KHBBRN Cc1ccc(C(=O)NCCc2ccco2)c2nc3c(C(=O)NCCc4ccco4)c(N)c(=O)c(C)c-3oc12 ZINC000005431373 552501729 /nfs/dbraw/zinc/50/17/29/552501729.db2.gz DOYCEJULQNQPBS-UHFFFAOYSA-N 0 0 514.538 3.623 40 5 KHBBRN Nc1c(=O)cc2oc3cccc(C(=O)NCCc4ccccc4)c3nc-2c1C(=O)NCCc1ccccc1 ZINC000005496228 552503625 /nfs/dbraw/zinc/50/36/25/552503625.db2.gz PNHDLZALKLKDRN-UHFFFAOYSA-N 0 0 506.562 3.820 40 5 KHBBRN O=C(CC1=N[C@H]2NN(c3ccccc3)C(=O)C2=C1CC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000005664391 552506254 /nfs/dbraw/zinc/50/62/54/552506254.db2.gz FRRFHCKRBRJYKX-SANMLTNESA-N 0 0 525.477 3.978 40 5 KHBBRN O=C(Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]c1=O)C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000005723924 552507692 /nfs/dbraw/zinc/50/76/92/552507692.db2.gz GYRWLEIGBNHTRK-UHFFFAOYSA-N 0 0 524.411 3.831 40 5 KHBBRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000006077580 552529290 /nfs/dbraw/zinc/52/92/90/552529290.db2.gz QGSBWTBVJBPKRM-RUZDIDTESA-N 0 0 546.632 3.878 40 5 KHBBRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000006077759 552529279 /nfs/dbraw/zinc/52/92/79/552529279.db2.gz QGSBWTBVJBPKRM-VWLOTQADSA-N 0 0 546.632 3.878 40 5 KHBBRN COc1ccc(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nnc2-c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000006088763 552530397 /nfs/dbraw/zinc/53/03/97/552530397.db2.gz ZUNBFLPIXQWLLD-UHFFFAOYSA-N 0 0 554.610 3.953 40 5 KHBBRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000006133886 552535402 /nfs/dbraw/zinc/53/54/02/552535402.db2.gz ZQHBKZVLTKJJSD-SANMLTNESA-N 0 0 544.616 3.848 40 5 KHBBRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000006134071 552535910 /nfs/dbraw/zinc/53/59/10/552535910.db2.gz ZQHBKZVLTKJJSD-AREMUKBSSA-N 0 0 544.616 3.848 40 5 KHBBRN COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000006162895 552555889 /nfs/dbraw/zinc/55/58/89/552555889.db2.gz ZWCBXYQEUAIBQJ-SANMLTNESA-N 0 0 544.616 3.848 40 5 KHBBRN COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000006162950 552555866 /nfs/dbraw/zinc/55/58/66/552555866.db2.gz ZWCBXYQEUAIBQJ-AREMUKBSSA-N 0 0 544.616 3.848 40 5 KHBBRN COc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1 ZINC000006176819 552559196 /nfs/dbraw/zinc/55/91/96/552559196.db2.gz ROYBLZYXZOYZLL-SANMLTNESA-N 0 0 544.616 3.848 40 5 KHBBRN COc1ccc2cc([C@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1 ZINC000006176861 552559214 /nfs/dbraw/zinc/55/92/14/552559214.db2.gz ROYBLZYXZOYZLL-AREMUKBSSA-N 0 0 544.616 3.848 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000006227552 552571158 /nfs/dbraw/zinc/57/11/58/552571158.db2.gz ODYFSOOJYLSSHJ-DJTCXORXSA-N 0 0 589.582 3.704 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000006227776 552571527 /nfs/dbraw/zinc/57/15/27/552571527.db2.gz LKYMSZSGILHGAT-DIXABZHVSA-N 0 0 529.574 3.868 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000006227778 552571537 /nfs/dbraw/zinc/57/15/37/552571537.db2.gz LKYMSZSGILHGAT-WNRWPCNTSA-N 0 0 529.574 3.868 40 5 KHBBRN COc1cc2cc(CN(Cc3ccc4c(c3)OCO4)S(=O)(=O)c3ccccc3[N+](=O)[O-])c(=O)[nH]c2cc1OC ZINC000006239439 552572686 /nfs/dbraw/zinc/57/26/86/552572686.db2.gz WWRHHPISBMYRND-UHFFFAOYSA-N 0 0 553.549 3.573 40 5 KHBBRN COc1ccc(CN(Cc2cc3cc(OC)ccc3[nH]c2=O)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006239752 552573147 /nfs/dbraw/zinc/57/31/47/552573147.db2.gz QQXBLMGJNWZXIG-UHFFFAOYSA-N 0 0 509.540 3.845 40 5 KHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(Cn2nnc(-c3ccccc3)n2)n1-c1ccccc1 ZINC000006280754 552576702 /nfs/dbraw/zinc/57/67/02/552576702.db2.gz RCBQNEOPWZQDBP-UHFFFAOYSA-N 0 0 527.570 3.917 40 5 KHBBRN Cc1ccc(NC(=O)CSc2nnc(Cn3nnc(-c4ccccc4)n3)n2-c2ccccc2)cc1[N+](=O)[O-] ZINC000006280864 552576984 /nfs/dbraw/zinc/57/69/84/552576984.db2.gz LJIRTOZQXWKWRM-UHFFFAOYSA-N 0 0 527.570 3.917 40 5 KHBBRN Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000006281746 552577321 /nfs/dbraw/zinc/57/73/21/552577321.db2.gz WIKSVEDGOYSEQV-MHZLTWQESA-N 0 0 536.596 3.691 40 5 KHBBRN Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000006281946 552577488 /nfs/dbraw/zinc/57/74/88/552577488.db2.gz WIKSVEDGOYSEQV-HHHXNRCGSA-N 0 0 536.596 3.691 40 5 KHBBRN Cc1cccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c12 ZINC000006443741 552585930 /nfs/dbraw/zinc/58/59/30/552585930.db2.gz FWZPAWFMDXOJAE-MHZLTWQESA-N 0 0 536.596 3.691 40 5 KHBBRN Cc1cccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c12 ZINC000006443896 552586094 /nfs/dbraw/zinc/58/60/94/552586094.db2.gz FWZPAWFMDXOJAE-HHHXNRCGSA-N 0 0 536.596 3.691 40 5 KHBBRN O=C(CSc1nnc(Cn2nnc(-c3ccccc3)n2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000006474560 552592805 /nfs/dbraw/zinc/59/28/05/552592805.db2.gz DNSWEKAXDWEVKJ-UHFFFAOYSA-N 0 0 513.543 3.608 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000006489207 552595578 /nfs/dbraw/zinc/59/55/78/552595578.db2.gz YURTYBXJHHXJBZ-KMBIYUNPSA-N 0 0 575.599 3.984 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000006489212 552595565 /nfs/dbraw/zinc/59/55/65/552595565.db2.gz YURTYBXJHHXJBZ-GVMLUORFSA-N 0 0 575.599 3.984 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000006489228 552595553 /nfs/dbraw/zinc/59/55/53/552595553.db2.gz AEMFMPILUWJUHX-KMBIYUNPSA-N 0 0 575.599 3.984 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000006489247 552595550 /nfs/dbraw/zinc/59/55/50/552595550.db2.gz AEMFMPILUWJUHX-GVMLUORFSA-N 0 0 575.599 3.984 40 5 KHBBRN CCOC(=O)CN(C(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000006546397 552599351 /nfs/dbraw/zinc/59/93/51/552599351.db2.gz XGFMTFKELLBDDU-UHFFFAOYSA-N 0 0 522.543 3.578 40 5 KHBBRN O=C(CC1=N[C@@H]2NN(c3ccccc3)C(=O)C2=C1CC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000008655816 553108650 /nfs/dbraw/zinc/10/86/50/553108650.db2.gz FRRFHCKRBRJYKX-AREMUKBSSA-N 0 0 525.477 3.978 40 5 KHBBRN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C ZINC000008685052 553113673 /nfs/dbraw/zinc/11/36/73/553113673.db2.gz GIYJAHFZFIFJNK-TUFGIGEDSA-N 0 0 500.017 3.584 40 5 KHBBRN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)N[C@H]1CCC[C@H](C)[C@H]1C ZINC000008685054 553113714 /nfs/dbraw/zinc/11/37/14/553113714.db2.gz GIYJAHFZFIFJNK-QABNGEJJSA-N 0 0 500.017 3.584 40 5 KHBBRN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000008685055 553113666 /nfs/dbraw/zinc/11/36/66/553113666.db2.gz GIYJAHFZFIFJNK-WTVLQJKYSA-N 0 0 500.017 3.584 40 5 KHBBRN COc1ccc(C(O)=C2[C@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000008691777 553118024 /nfs/dbraw/zinc/11/80/24/553118024.db2.gz KPZXGJQJCQTHMA-XQBPLPMBSA-N 0 0 505.405 3.967 40 5 KHBBRN COc1ccc(C(O)=C2[C@@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000008691779 553117995 /nfs/dbraw/zinc/11/79/95/553117995.db2.gz KPZXGJQJCQTHMA-WOIUINJBSA-N 0 0 505.405 3.967 40 5 KHBBRN O=C(CSc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000008780921 553144219 /nfs/dbraw/zinc/14/42/19/553144219.db2.gz MJFLTKUULQQTIC-UHFFFAOYSA-N 0 0 506.547 3.816 40 5 KHBBRN COc1ccc2c3nccc4c5cc(O[C@@H](C)C(=O)NCCCn6ccnc6)ccc5n(c43)c(=O)c2c1OC ZINC000008791874 553147208 /nfs/dbraw/zinc/14/72/08/553147208.db2.gz RXCVVHXKUROAAH-KRWDZBQOSA-N 0 0 525.565 3.779 40 5 biogenic KHBBRN COc1ccc2c3nccc4c5cc(O[C@H](C)C(=O)NCCCn6ccnc6)ccc5n(c43)c(=O)c2c1OC ZINC000008791875 553147231 /nfs/dbraw/zinc/14/72/31/553147231.db2.gz RXCVVHXKUROAAH-QGZVFWFLSA-N 0 0 525.565 3.779 40 5 biogenic KHBBRN COc1ccc2c3nccc4c5cc(OCC(=O)NC[C@H](O)c6ccccc6)ccc5n(c43)c(=O)c2c1OC ZINC000008792282 553147694 /nfs/dbraw/zinc/14/76/94/553147694.db2.gz HCRRAXJMDBRXCS-QHCPKHFHSA-N 0 0 523.545 3.838 40 5 biogenic KHBBRN COc1ccc2c3nccc4c5cc(OCC(=O)NC[C@@H](O)c6ccccc6)ccc5n(c43)c(=O)c2c1OC ZINC000008792284 553147691 /nfs/dbraw/zinc/14/76/91/553147691.db2.gz HCRRAXJMDBRXCS-HSZRJFAPSA-N 0 0 523.545 3.838 40 5 biogenic KHBBRN COc1ccc2c3nccc4c5cc(OCC(=O)NCCCOC(C)C)ccc5n(c43)c(=O)c2c1OC ZINC000008792331 553147696 /nfs/dbraw/zinc/14/76/96/553147696.db2.gz XRSCKXFEABZQID-UHFFFAOYSA-N 0 0 503.555 3.919 40 5 biogenic KHBBRN COc1ccc(C=CC(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1 ZINC000008832704 553158398 /nfs/dbraw/zinc/15/83/98/553158398.db2.gz MJSHIINBRKRWBC-KPKJPENVSA-N 0 0 509.632 3.830 40 5 KHBBRN CCOc1ccc(C(=O)NC(=S)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1[N+](=O)[O-] ZINC000008832709 553158321 /nfs/dbraw/zinc/15/83/21/553158321.db2.gz ZMMLONVWQXYFMM-UHFFFAOYSA-N 0 0 504.437 3.526 40 5 KHBBRN COc1c(F)c(F)c(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c(F)c1F ZINC000008832719 553158411 /nfs/dbraw/zinc/15/84/11/553158411.db2.gz PGAXJDXNAOGEIX-UHFFFAOYSA-N 0 0 506.865 3.650 40 5 KHBBRN COc1c(F)c(F)c(C(=O)NC(=S)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c(F)c1F ZINC000008832723 553158405 /nfs/dbraw/zinc/15/84/05/553158405.db2.gz ROGIPYDIRXQQCI-UHFFFAOYSA-N 0 0 506.865 3.650 40 5 KHBBRN O=C(NC(=S)Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008833019 553159316 /nfs/dbraw/zinc/15/93/16/553159316.db2.gz KYHWVQSTLPPOGH-UHFFFAOYSA-N 0 0 504.528 3.761 40 5 KHBBRN O=C(NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008833020 553159306 /nfs/dbraw/zinc/15/93/06/553159306.db2.gz ZHJKSGLSOUGFEG-UHFFFAOYSA-N 0 0 504.528 3.761 40 5 KHBBRN O=C(Nc1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1)c1cccs1 ZINC000008833024 553159282 /nfs/dbraw/zinc/15/92/82/553159282.db2.gz MPXNBDRNJWVWPQ-UHFFFAOYSA-N 0 0 511.585 3.872 40 5 KHBBRN Cc1cc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 ZINC000008833025 553159310 /nfs/dbraw/zinc/15/93/10/553159310.db2.gz LLCWNOZNFUIPOI-UHFFFAOYSA-N 0 0 509.544 3.712 40 5 KHBBRN Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)nn12 ZINC000008833188 553159785 /nfs/dbraw/zinc/15/97/85/553159785.db2.gz LHRCCYVYGTURNS-UHFFFAOYSA-N 0 0 508.589 3.796 40 5 KHBBRN COc1cc2sc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nc2cc1Cl ZINC000008835422 553161981 /nfs/dbraw/zinc/16/19/81/553161981.db2.gz UGOXVYWVNORDSL-UHFFFAOYSA-N 0 0 507.981 3.830 40 5 KHBBRN O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008835426 553161928 /nfs/dbraw/zinc/16/19/28/553161928.db2.gz SHOTWGJCILPJHD-UHFFFAOYSA-N 0 0 514.545 3.590 40 5 KHBBRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000008835721 553162660 /nfs/dbraw/zinc/16/26/60/553162660.db2.gz XQPILFDTWAWQAH-UHFFFAOYSA-N 0 0 505.984 3.950 40 5 KHBBRN Cc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nn12 ZINC000008896237 553178600 /nfs/dbraw/zinc/17/86/00/553178600.db2.gz ZOABDUNJGUCYQC-UHFFFAOYSA-N 0 0 508.589 3.796 40 5 KHBBRN Cc1c(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)cccc1[N+](=O)[O-] ZINC000008896806 553179084 /nfs/dbraw/zinc/17/90/84/553179084.db2.gz RKJRFLNDKVTOSI-UHFFFAOYSA-N 0 0 503.584 3.992 40 5 KHBBRN Cc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000008896853 553179134 /nfs/dbraw/zinc/17/91/34/553179134.db2.gz NZDCLNNXFYRZNJ-UHFFFAOYSA-N 0 0 503.584 3.992 40 5 KHBBRN Cc1c(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000008896859 553179048 /nfs/dbraw/zinc/17/90/48/553179048.db2.gz ROVUMKUOKWMYDT-UHFFFAOYSA-N 0 0 503.584 3.992 40 5 KHBBRN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000008897002 553179398 /nfs/dbraw/zinc/17/93/98/553179398.db2.gz RSYFGUAZHYGYBQ-UHFFFAOYSA-N 0 0 504.012 3.988 40 5 KHBBRN Cc1c(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000008897007 553179345 /nfs/dbraw/zinc/17/93/45/553179345.db2.gz PDUVZRNNKNQNJX-UHFFFAOYSA-N 0 0 504.012 3.988 40 5 KHBBRN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])cc3)CC2)cc1 ZINC000008897679 553179864 /nfs/dbraw/zinc/17/98/64/553179864.db2.gz ZPEGXRKOUFNZNJ-UHFFFAOYSA-N 0 0 503.584 3.992 40 5 KHBBRN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3)CC2)cc1 ZINC000008897687 553179894 /nfs/dbraw/zinc/17/98/94/553179894.db2.gz NWUDGANYCMUUNO-UHFFFAOYSA-N 0 0 503.584 3.992 40 5 KHBBRN Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000008897702 553179901 /nfs/dbraw/zinc/17/99/01/553179901.db2.gz AFHUVONXUWJQHL-UHFFFAOYSA-N 0 0 503.584 3.992 40 5 KHBBRN Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000008897709 553179853 /nfs/dbraw/zinc/17/98/53/553179853.db2.gz HQFKBVQASZZDQH-UHFFFAOYSA-N 0 0 503.584 3.992 40 5 KHBBRN O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000008897876 553179837 /nfs/dbraw/zinc/17/98/37/553179837.db2.gz UWWADGCQQJLLKM-UHFFFAOYSA-N 0 0 513.963 3.930 40 5 KHBBRN O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008901489 553182149 /nfs/dbraw/zinc/18/21/49/553182149.db2.gz FDUCWSVHNYRDTQ-UHFFFAOYSA-N 0 0 515.570 3.646 40 5 KHBBRN CCOc1cc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc(OCC)c1OCC ZINC000008902616 553182760 /nfs/dbraw/zinc/18/27/60/553182760.db2.gz DNZAKRAMCOXDDO-UHFFFAOYSA-N 0 0 518.592 3.754 40 5 KHBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1Br ZINC000008902620 553182808 /nfs/dbraw/zinc/18/28/08/553182808.db2.gz DPRMIAGNJPTDEH-UHFFFAOYSA-N 0 0 509.382 3.719 40 5 KHBBRN COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3)CC2)c1 ZINC000008903420 553183001 /nfs/dbraw/zinc/18/30/01/553183001.db2.gz XNTJDGFXCGKPIL-UHFFFAOYSA-N 0 0 520.542 3.835 40 5 KHBBRN CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1 ZINC000008904419 553183377 /nfs/dbraw/zinc/18/33/77/553183377.db2.gz MDNBUKMZKGGTHT-UHFFFAOYSA-N 0 0 515.998 3.642 40 5 KHBBRN CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000008904420 553183461 /nfs/dbraw/zinc/18/34/61/553183461.db2.gz VQMBLOMDPIDNOB-UHFFFAOYSA-N 0 0 515.998 3.642 40 5 KHBBRN COc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=Cc3ccccc3N1[C@@H]2C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000009015674 553200372 /nfs/dbraw/zinc/20/03/72/553200372.db2.gz PIADSIMJHLFJRW-QVQNZMNRSA-N 0 0 510.506 3.632 40 5 KHBBRN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=Cc4ccccc4N2[C@@H]3C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000009015716 553200557 /nfs/dbraw/zinc/20/05/57/553200557.db2.gz NWGOBZXOXZNIAE-LIONHTAISA-N 0 0 510.506 3.632 40 5 KHBBRN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=Cc4ccccc4N2[C@@H]3C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000009015718 553200527 /nfs/dbraw/zinc/20/05/27/553200527.db2.gz NWGOBZXOXZNIAE-VPBXCIAMSA-N 0 0 510.506 3.632 40 5 KHBBRN O=C(Oc1ccc(N(C(=O)c2ccncc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccncc1 ZINC000009030658 553201572 /nfs/dbraw/zinc/20/15/72/553201572.db2.gz KKKKCXIACXZLHC-UHFFFAOYSA-N 0 0 504.480 3.640 40 5 KHBBRN O=C(C1=C2C(O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N12)c1cccc([N+](=O)[O-])c1 ZINC000009046659 553204299 /nfs/dbraw/zinc/20/42/99/553204299.db2.gz VRBPBDGKVJTAHP-PQVVKJAFSA-N 0 0 509.474 3.596 40 5 KHBBRN O=C(C1=C2C(O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12)c1cccc([N+](=O)[O-])c1 ZINC000009046660 553204302 /nfs/dbraw/zinc/20/43/02/553204302.db2.gz VRBPBDGKVJTAHP-GATIMQMVSA-N 0 0 509.474 3.596 40 5 KHBBRN CC(C)(C)C(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)OC(C)(C)OC2=O)[C@H]2c3ccccc3C=NN21 ZINC000009058854 553204848 /nfs/dbraw/zinc/20/48/48/553204848.db2.gz GCTOSGSXVSRENF-PCCBWWKXSA-N 0 0 505.527 3.889 40 5 KHBBRN CCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(O)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000009159884 553215579 /nfs/dbraw/zinc/21/55/79/553215579.db2.gz PHDVXTXVVOLFOG-VXNXHJTFSA-N 0 0 505.483 3.759 40 5 KHBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)/c1=N/C(=O)c1ccc(F)cc1 ZINC000009185476 553217208 /nfs/dbraw/zinc/21/72/08/553217208.db2.gz BOHOKGUNRCCRDM-BGABXYSRSA-N 0 0 506.534 3.521 40 5 KHBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N/C(=O)c1cccc(C)c1 ZINC000009192503 553218844 /nfs/dbraw/zinc/21/88/44/553218844.db2.gz OSIPHGWBVARDSS-GKPLWNPISA-N 0 0 516.598 3.999 40 5 KHBBRN CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)/c1=N\C(=O)c1ccccc1Cl ZINC000009209581 553220239 /nfs/dbraw/zinc/22/02/39/553220239.db2.gz MJBNTZVNLYXMHI-BGABXYSRSA-N 0 0 522.989 3.955 40 5 KHBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)/c1=N/C(=O)c1cccc(F)c1 ZINC000009210612 553220924 /nfs/dbraw/zinc/22/09/24/553220924.db2.gz RCRZCEDNJLDZBU-BGABXYSRSA-N 0 0 506.534 3.521 40 5 KHBBRN COc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3cc(OC)c(OC)cc3[N+](=O)[O-])C2=O)cc1 ZINC000009232665 553223876 /nfs/dbraw/zinc/22/38/76/553223876.db2.gz CKHLVHHWCKKMNB-SMIHKQSGSA-N 0 0 505.483 3.672 40 5 KHBBRN COc1ccc(CN2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)N2C=Cc4ccccc4[C@@H]32)cc1 ZINC000009242573 553226341 /nfs/dbraw/zinc/22/63/41/553226341.db2.gz FLDGCYRJHLDZTC-XPGKHFPBSA-N 0 0 509.518 3.997 40 5 KHBBRN COc1ccc(CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=CN2[C@@H]3C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009242575 553226301 /nfs/dbraw/zinc/22/63/01/553226301.db2.gz FLDGCYRJHLDZTC-POTDNYQPSA-N 0 0 509.518 3.997 40 5 KHBBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)Nc1ccccc1)N1C=Cc3ccccc3[C@@H]21 ZINC000009312020 553239905 /nfs/dbraw/zinc/23/99/05/553239905.db2.gz APYOWEFPEDOEQV-NGSHPTGOSA-N 0 0 510.506 3.758 40 5 KHBBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1c3ccccc3C=CN1[C@@H]2C(=O)Nc1ccccc1 ZINC000009312022 553239949 /nfs/dbraw/zinc/23/99/49/553239949.db2.gz APYOWEFPEDOEQV-VPBXCIAMSA-N 0 0 510.506 3.758 40 5 KHBBRN Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000009328070 553241747 /nfs/dbraw/zinc/24/17/47/553241747.db2.gz MVRFQLHSZBCHKP-OMGHFUJISA-N 0 0 501.326 3.641 40 5 KHBBRN O=C(Nc1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12 ZINC000009334764 553243341 /nfs/dbraw/zinc/24/33/41/553243341.db2.gz AEDWNBWLDXDEKE-CWBXHPNXSA-N 0 0 515.913 3.766 40 5 KHBBRN COc1cccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3cc(OC)c(OC)cc3[N+](=O)[O-])C2=O)c1 ZINC000009501174 553275165 /nfs/dbraw/zinc/27/51/65/553275165.db2.gz IYPKSYLBKIZAPC-SMIHKQSGSA-N 0 0 505.483 3.672 40 5 KHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1 ZINC000009694847 553300081 /nfs/dbraw/zinc/30/00/81/553300081.db2.gz JFRPPTPESVNEOI-UHFFFAOYSA-N 0 0 502.524 3.808 40 5 KHBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCCSCc1ccccc1F ZINC000010280698 553331450 /nfs/dbraw/zinc/33/14/50/553331450.db2.gz JVXQHYFIEOWPLM-UHFFFAOYSA-N 0 0 503.577 3.979 40 5 KHBBRN COC(=O)c1cccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000010295986 553331725 /nfs/dbraw/zinc/33/17/25/553331725.db2.gz KSRDDFXCZRUWCE-UHFFFAOYSA-N 0 0 513.528 3.532 40 5 KHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1)S(C)(=O)=O ZINC000010433885 553336247 /nfs/dbraw/zinc/33/62/47/553336247.db2.gz RGDXUXGXHIOMLE-SFHVURJKSA-N 0 0 510.572 3.799 40 5 KHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1)S(C)(=O)=O ZINC000010433886 553336233 /nfs/dbraw/zinc/33/62/33/553336233.db2.gz RGDXUXGXHIOMLE-GOSISDBHSA-N 0 0 510.572 3.799 40 5 KHBBRN CCOC(=O)[C@@H](NC(=O)c1cc2cc(Br)cc(OC)c2oc1=O)c1cccc([N+](=O)[O-])c1 ZINC000011565653 553338978 /nfs/dbraw/zinc/33/89/78/553338978.db2.gz NYRHLDVNVNKMEE-KRWDZBQOSA-N 0 0 505.277 3.507 40 5 KHBBRN CCOC(=O)[C@H](NC(=O)c1cc2cc(Br)cc(OC)c2oc1=O)c1cccc([N+](=O)[O-])c1 ZINC000011565654 553338991 /nfs/dbraw/zinc/33/89/91/553338991.db2.gz NYRHLDVNVNKMEE-QGZVFWFLSA-N 0 0 505.277 3.507 40 5 KHBBRN CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)/c1=N\C(=O)c1cccc(Cl)c1 ZINC000011690728 553340284 /nfs/dbraw/zinc/34/02/84/553340284.db2.gz ZFRXMOXVKMLTFV-BGABXYSRSA-N 0 0 522.989 3.955 40 5 KHBBRN CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)/c1=N\C(=O)c1cc(C)cc(C)c1 ZINC000011690750 553340269 /nfs/dbraw/zinc/34/02/69/553340269.db2.gz UKYGLVBHKIXFST-GKPLWNPISA-N 0 0 516.598 3.919 40 5 KHBBRN CCOCCCn1c2nc3ccccn3c(=O)c2cc(C(=O)OCC)/c1=N\C(=O)c1ccc(Cl)cc1 ZINC000011690851 553340305 /nfs/dbraw/zinc/34/03/05/553340305.db2.gz JATLJFPFSFCIEW-BYNJWEBRSA-N 0 0 508.962 3.647 40 5 KHBBRN CCOCCCn1c2nc3ccccn3c(=O)c2cc(C(=O)OCC)/c1=N\C(=O)c1cccc(Cl)c1 ZINC000011690853 553340279 /nfs/dbraw/zinc/34/02/79/553340279.db2.gz RZYAMISICRMDCL-BYNJWEBRSA-N 0 0 508.962 3.647 40 5 KHBBRN CCOCCCn1c2nc3ccccn3c(=O)c2cc(C(=O)OCC)/c1=N\C(=O)c1ccccc1Cl ZINC000011690854 553340281 /nfs/dbraw/zinc/34/02/81/553340281.db2.gz FKYTZNPSZKUZAU-BYNJWEBRSA-N 0 0 508.962 3.647 40 5 KHBBRN CCOCCCn1c2nc3ccccn3c(=O)c2cc(C(=O)OCC)/c1=N\C(=O)c1ccc(C)c(C)c1 ZINC000011690863 553340314 /nfs/dbraw/zinc/34/03/14/553340314.db2.gz YHFAPPIMEREFIN-QCWLDUFUSA-N 0 0 502.571 3.610 40 5 KHBBRN COC[C@@H](C)n1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012600792 553401652 /nfs/dbraw/zinc/40/16/52/553401652.db2.gz DAINLZJNCAJMDV-HNHDZATFSA-N 0 0 518.617 3.586 40 5 KHBBRN COC[C@H](C)n1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012600794 553401636 /nfs/dbraw/zinc/40/16/36/553401636.db2.gz DAINLZJNCAJMDV-TZFALNRWSA-N 0 0 518.617 3.586 40 5 KHBBRN COc1ccc(NC(=O)CN2[C@@H]3CC[C@H]2CC(NC(=O)NC24CC5CC(CC(C5)C2)C4)C3)c([N+](=O)[O-])c1 ZINC000012643997 553408709 /nfs/dbraw/zinc/40/87/09/553408709.db2.gz OBFRLEYNQGCOFW-JWEXTPOVSA-N 0 0 511.623 3.805 40 5 KHBBRN CCOC(=O)N1CCN(C(=O)c2cc3c4ccccc4n4c3c(n2)c2ccc(OC)c(OC)c2c4=O)CC1 ZINC000012891081 553426582 /nfs/dbraw/zinc/42/65/82/553426582.db2.gz ZXNYUNWMTILEAX-UHFFFAOYSA-N 0 0 514.538 3.523 40 5 biogenic KHBBRN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000013135919 553452804 /nfs/dbraw/zinc/45/28/04/553452804.db2.gz GIYJAHFZFIFJNK-GTYSZEQSSA-N 0 0 500.017 3.584 40 5 KHBBRN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C ZINC000013135921 553452807 /nfs/dbraw/zinc/45/28/07/553452807.db2.gz GIYJAHFZFIFJNK-SPLQCWDRSA-N 0 0 500.017 3.584 40 5 KHBBRN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C ZINC000013135922 553452800 /nfs/dbraw/zinc/45/28/00/553452800.db2.gz GIYJAHFZFIFJNK-WXRFYESLSA-N 0 0 500.017 3.584 40 5 KHBBRN COc1ccc(C(O)=C2[C@@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000013143841 553454549 /nfs/dbraw/zinc/45/45/49/553454549.db2.gz KPZXGJQJCQTHMA-KNKQGSTJSA-N 0 0 505.405 3.967 40 5 KHBBRN COc1ccc(C(O)=C2[C@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000013143845 553454570 /nfs/dbraw/zinc/45/45/70/553454570.db2.gz KPZXGJQJCQTHMA-DXIQSLLYSA-N 0 0 505.405 3.967 40 5 KHBBRN COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2cccnc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN21 ZINC000013540343 553469506 /nfs/dbraw/zinc/46/95/06/553469506.db2.gz SHKKOVFTZJGACC-OHTANWTRSA-N 0 0 502.552 3.817 40 5 KHBBRN CCOc1ccc(CNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000013632146 553478513 /nfs/dbraw/zinc/47/85/13/553478513.db2.gz HQOOUGODUJKFMZ-UHFFFAOYSA-N 0 0 513.572 3.822 40 5 KHBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCSCc1ccccc1F ZINC000013676392 553482799 /nfs/dbraw/zinc/48/27/99/553482799.db2.gz JIVACJQQJZZNFU-UHFFFAOYSA-N 0 0 503.577 3.979 40 5 KHBBRN COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])[C@@H]3C2=O)cc1 ZINC000013787422 553490841 /nfs/dbraw/zinc/49/08/41/553490841.db2.gz CKHLVHHWCKKMNB-HJOGWXRNSA-N 0 0 505.483 3.672 40 5 KHBBRN COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])[C@@H]3C2=O)c1 ZINC000013806134 553491807 /nfs/dbraw/zinc/49/18/07/553491807.db2.gz IYPKSYLBKIZAPC-HJOGWXRNSA-N 0 0 505.483 3.672 40 5 KHBBRN COc1c(F)c(F)c(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c(F)c1F ZINC000014273716 553506702 /nfs/dbraw/zinc/50/67/02/553506702.db2.gz WEIXCSXGVFGOSN-UHFFFAOYSA-N 0 0 506.865 3.650 40 5 KHBBRN CC(C)(C)c1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1 ZINC000014273744 553506824 /nfs/dbraw/zinc/50/68/24/553506824.db2.gz XZCWLNYDZVQGFT-UHFFFAOYSA-N 0 0 511.648 3.566 40 5 KHBBRN CCOc1ccc(C(=O)NC(=S)NCc2ccc(-c3nn4c(CC)nnc4s3)cc2)cc1[N+](=O)[O-] ZINC000014273885 553506813 /nfs/dbraw/zinc/50/68/13/553506813.db2.gz WBKNAXSMVVJZKF-UHFFFAOYSA-N 0 0 511.589 3.527 40 5 KHBBRN O=C(NC(=S)Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014274395 553507414 /nfs/dbraw/zinc/50/74/14/553507414.db2.gz MPQBAEHJUFIQPZ-UHFFFAOYSA-N 0 0 504.528 3.761 40 5 KHBBRN O=C(NC(=S)Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014274403 553507438 /nfs/dbraw/zinc/50/74/38/553507438.db2.gz NHUZLEBKHYQCSU-UHFFFAOYSA-N 0 0 504.528 3.761 40 5 KHBBRN O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014274410 553507384 /nfs/dbraw/zinc/50/73/84/553507384.db2.gz MGAMTWYKTYOSGQ-UHFFFAOYSA-N 0 0 505.556 3.811 40 5 KHBBRN O=C(NC(=S)Nc1ccc(NC(=O)c2ccccc2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014274414 553507430 /nfs/dbraw/zinc/50/74/30/553507430.db2.gz YCXKHJXBYAKBOS-UHFFFAOYSA-N 0 0 505.556 3.811 40 5 KHBBRN O=C(Nc1cccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1)c1cccs1 ZINC000014274426 553507425 /nfs/dbraw/zinc/50/74/25/553507425.db2.gz HKVRHGOJVCIPAJ-UHFFFAOYSA-N 0 0 511.585 3.872 40 5 KHBBRN O=C(NC(=S)Nc1c(F)cc(F)cc1Br)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014274430 553507394 /nfs/dbraw/zinc/50/73/94/553507394.db2.gz NTJDOEQIHBEETA-UHFFFAOYSA-N 0 0 501.309 3.599 40 5 KHBBRN COc1c(Br)cc(Br)cc1C(=O)NC(=S)NNc1ccc([N+](=O)[O-])cc1 ZINC000014275264 553508052 /nfs/dbraw/zinc/50/80/52/553508052.db2.gz JRNOVRWCVQOPLQ-UHFFFAOYSA-N 0 0 504.160 3.760 40 5 KHBBRN O=C(NC(=S)Nc1ccc(I)cn1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000014275602 553508616 /nfs/dbraw/zinc/50/86/16/553508616.db2.gz DMVHNJJCZAJZBK-UHFFFAOYSA-N 0 0 511.345 3.712 40 5 KHBBRN Cc1nc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1I ZINC000014275617 553508564 /nfs/dbraw/zinc/50/85/64/553508564.db2.gz FDVLEUKFBYJMFH-UHFFFAOYSA-N 0 0 511.345 3.630 40 5 KHBBRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1OC ZINC000014276110 553509077 /nfs/dbraw/zinc/50/90/77/553509077.db2.gz XZIMGSKKTNKWNX-UHFFFAOYSA-N 0 0 515.592 3.696 40 5 KHBBRN Cc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)nn12 ZINC000014276385 553509297 /nfs/dbraw/zinc/50/92/97/553509297.db2.gz OFEYDJDPVQNXBH-UHFFFAOYSA-N 0 0 508.589 3.796 40 5 KHBBRN C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2C(N)=O)C1 ZINC000014276578 553509433 /nfs/dbraw/zinc/50/94/33/553509433.db2.gz MHVNBUOGUVBAFQ-CYBMUJFWSA-N 0 0 501.634 3.997 40 5 KHBBRN C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2C(N)=O)C1 ZINC000014276580 553509411 /nfs/dbraw/zinc/50/94/11/553509411.db2.gz MHVNBUOGUVBAFQ-ZDUSSCGKSA-N 0 0 501.634 3.997 40 5 KHBBRN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)cc1[N+](=O)[O-] ZINC000014276624 553509416 /nfs/dbraw/zinc/50/94/16/553509416.db2.gz BLCQVNNCFPGDIE-UHFFFAOYSA-N 0 0 503.584 3.992 40 5 KHBBRN O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000014277043 553509943 /nfs/dbraw/zinc/50/99/43/553509943.db2.gz FAXHVXSSTMXSFQ-UHFFFAOYSA-N 0 0 513.963 3.930 40 5 KHBBRN CN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000014277230 553510060 /nfs/dbraw/zinc/51/00/60/553510060.db2.gz SVJRBSYQHKIPHP-UHFFFAOYSA-N 0 0 503.028 3.727 40 5 KHBBRN O=C(c1cccc(OCc2ccccc2)c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 ZINC000014277369 553510126 /nfs/dbraw/zinc/51/01/26/553510126.db2.gz USYBHQLXPHFWFT-UHFFFAOYSA-N 0 0 502.571 3.973 40 5 KHBBRN CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000014279232 553511274 /nfs/dbraw/zinc/51/12/74/553511274.db2.gz OIVZMZPIPJYWAN-UHFFFAOYSA-N 0 0 515.998 3.642 40 5 KHBBRN Cc1c(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000014410824 553516096 /nfs/dbraw/zinc/51/60/96/553516096.db2.gz BBVUWIJNWXHFHS-UHFFFAOYSA-N 0 0 501.492 3.648 40 5 KHBBRN COC(=O)c1cc(NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)ccc1Cl ZINC000014410976 553516088 /nfs/dbraw/zinc/51/60/88/553516088.db2.gz TXBIBMGFJYFDSU-UHFFFAOYSA-N 0 0 503.920 3.869 40 5 KHBBRN CCCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 ZINC000014412250 553516528 /nfs/dbraw/zinc/51/65/28/553516528.db2.gz KGSRRKJWZRRHRT-UHFFFAOYSA-N 0 0 510.572 3.959 40 5 KHBBRN COC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 ZINC000014412258 553516510 /nfs/dbraw/zinc/51/65/10/553516510.db2.gz JHBFYSPBJFRZPV-UHFFFAOYSA-N 0 0 503.920 3.869 40 5 KHBBRN COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000014412971 553516855 /nfs/dbraw/zinc/51/68/55/553516855.db2.gz BZFQTRSPCWSDNJ-UHFFFAOYSA-N 0 0 514.516 3.962 40 5 KHBBRN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1cc(OC)c(OC(C)=O)c([N+](=O)[O-])c1 ZINC000015016043 553526111 /nfs/dbraw/zinc/52/61/11/553526111.db2.gz BSZNTTHPCOHWIR-JOCHJYFZSA-N 0 0 511.516 3.937 40 5 KHBBRN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1cc(OC)c(OC(C)=O)c([N+](=O)[O-])c1 ZINC000015016044 553526085 /nfs/dbraw/zinc/52/60/85/553526085.db2.gz BSZNTTHPCOHWIR-QFIPXVFZSA-N 0 0 511.516 3.937 40 5 KHBBRN CCOC(=O)c1ccc(NC(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000015707204 553534470 /nfs/dbraw/zinc/53/44/70/553534470.db2.gz AFQXRRNTIIWTBU-FQEVSTJZSA-N 0 0 503.475 3.876 40 5 biogenic,in-vitro KHBBRN CC(C)(C)C(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)OC(C)(C)OC2=O)[C@H]2c3ccccc3C=NN21 ZINC000015990315 553549557 /nfs/dbraw/zinc/54/95/57/553549557.db2.gz WMCDJMOXEDKQEE-PCCBWWKXSA-N 0 0 505.527 3.889 40 5 KHBBRN CC(=O)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)OC3(CCCCC3)OC2=O)[C@H]2c3ccccc3C=NN12 ZINC000016039318 553552764 /nfs/dbraw/zinc/55/27/64/553552764.db2.gz JIGVEQQMTIIMLE-XPWALMASSA-N 0 0 503.511 3.787 40 5 KHBBRN O=C(Nc1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12 ZINC000016039512 553552933 /nfs/dbraw/zinc/55/29/33/553552933.db2.gz AEDWNBWLDXDEKE-MYDTUXCISA-N 0 0 515.913 3.766 40 5 KHBBRN COc1ccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1Br ZINC000016226595 553557219 /nfs/dbraw/zinc/55/72/19/553557219.db2.gz VJDKNBUWAKRQJG-UHFFFAOYSA-N 0 0 513.801 3.856 40 5 KHBBRN COc1ccc(Br)cc1C(=O)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000016226775 553557169 /nfs/dbraw/zinc/55/71/69/553557169.db2.gz LCAAXQNJPLCFGU-UHFFFAOYSA-N 0 0 513.801 3.856 40 5 KHBBRN O=C(CN(CCN1CCOCC1)C(=O)c1ccc([N+](=O)[O-])cc1)N(C1CCCCC1)C1CCCCC1 ZINC000016400766 553562630 /nfs/dbraw/zinc/56/26/30/553562630.db2.gz HIYUFOHHLJAOAC-UHFFFAOYSA-N 0 0 500.640 3.863 40 5 KHBBRN O=C(COc1ccc(Br)cc1)NC(=S)NCCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000016428761 553563187 /nfs/dbraw/zinc/56/31/87/553563187.db2.gz MWAPLRMKIIEGOL-UHFFFAOYSA-N 0 0 501.790 3.882 40 5 KHBBRN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)c(O)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000016525144 553567007 /nfs/dbraw/zinc/56/70/07/553567007.db2.gz GWMRQWCZBNODEU-UHFFFAOYSA-N 0 0 518.555 3.807 40 5 KHBBRN CCNC(=S)Nc1scc2c1c(=O)n(-c1ccc([N+](=O)[O-])cc1)nc2-c1nnc(NCC)s1 ZINC000016681931 553572082 /nfs/dbraw/zinc/57/20/82/553572082.db2.gz UANOLINZHABNEX-UHFFFAOYSA-N 0 0 502.607 3.612 40 5 KHBBRN COc1cc(OC)c([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000017918232 553600713 /nfs/dbraw/zinc/60/07/13/553600713.db2.gz AUPKVTVKRJZIBP-SGNDLWITSA-N 0 0 505.483 3.672 40 5 KHBBRN CCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(O)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000018060439 553602511 /nfs/dbraw/zinc/60/25/11/553602511.db2.gz PHDVXTXVVOLFOG-HJOGWXRNSA-N 0 0 505.483 3.759 40 5 KHBBRN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1OC ZINC000018086856 553603779 /nfs/dbraw/zinc/60/37/79/553603779.db2.gz AETUJMQRCWKNQR-DPLHUUCSSA-N 0 0 505.483 3.672 40 5 KHBBRN COc1ccc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000018087468 553603802 /nfs/dbraw/zinc/60/38/02/553603802.db2.gz XAXMTCRQCXFDSX-SLSDLSHTSA-N 0 0 519.510 3.667 40 5 KHBBRN COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000018156575 553606545 /nfs/dbraw/zinc/60/65/45/553606545.db2.gz SFPMNOAHAFYWHT-SGNDLWITSA-N 0 0 505.483 3.672 40 5 KHBBRN COc1cc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc(OC)c1OC ZINC000018208282 553610380 /nfs/dbraw/zinc/61/03/80/553610380.db2.gz KKFMYAGUTRVVBW-GPXNEJASSA-N 0 0 505.483 3.672 40 5 KHBBRN CCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000019855833 553624617 /nfs/dbraw/zinc/62/46/17/553624617.db2.gz HDBSRZOIUDMMMA-UHFFFAOYSA-N 0 0 510.572 3.959 40 5 KHBBRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(F)cc2)cc1OC ZINC000019855838 553624804 /nfs/dbraw/zinc/62/48/04/553624804.db2.gz JIYKETLYLITUAH-UHFFFAOYSA-N 0 0 503.508 3.894 40 5 KHBBRN COC(=O)c1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000019855867 553625068 /nfs/dbraw/zinc/62/50/68/553625068.db2.gz FAXFMFPENOXXKE-UHFFFAOYSA-N 0 0 513.528 3.532 40 5 KHBBRN COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000019855887 553625105 /nfs/dbraw/zinc/62/51/05/553625105.db2.gz CWJOUZWKXKENJU-UHFFFAOYSA-N 0 0 514.516 3.962 40 5 KHBBRN COC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c1 ZINC000019855929 553625303 /nfs/dbraw/zinc/62/53/03/553625303.db2.gz DZTXMTJHPHIVCG-UHFFFAOYSA-N 0 0 503.920 3.869 40 5 KHBBRN COc1ccc(Cl)cc1N(CC(=O)NCCCOC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000019855947 553625490 /nfs/dbraw/zinc/62/54/90/553625490.db2.gz DXDIMPYXEACCNV-UHFFFAOYSA-N 0 0 514.000 3.692 40 5 KHBBRN COC(=O)c1cc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Cl ZINC000019855988 553625770 /nfs/dbraw/zinc/62/57/70/553625770.db2.gz ZYIFIVPJHALIAX-UHFFFAOYSA-N 0 0 503.920 3.869 40 5 KHBBRN COc1ccc(N(CC(=O)Nc2ccc(F)c(F)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000019856020 553625945 /nfs/dbraw/zinc/62/59/45/553625945.db2.gz RYQCJIHDFQMBDR-UHFFFAOYSA-N 0 0 507.471 3.724 40 5 KHBBRN COC(=O)c1ccc(Cl)c(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 ZINC000019856080 553625948 /nfs/dbraw/zinc/62/59/48/553625948.db2.gz KSLZVFLNNLEVAV-UHFFFAOYSA-N 0 0 503.920 3.869 40 5 KHBBRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccc(F)cc2)cc1OC ZINC000019856242 553626669 /nfs/dbraw/zinc/62/66/69/553626669.db2.gz RGRQYDNQLRVZBH-UHFFFAOYSA-N 0 0 503.508 3.894 40 5 KHBBRN CCCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000019856482 553627359 /nfs/dbraw/zinc/62/73/59/553627359.db2.gz UBAFFTASDYUYKR-UHFFFAOYSA-N 0 0 510.572 3.959 40 5 KHBBRN COC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000019856560 553627550 /nfs/dbraw/zinc/62/75/50/553627550.db2.gz QNLLMMUXNUMWJA-UHFFFAOYSA-N 0 0 503.920 3.869 40 5 KHBBRN Cc1nccn1-c1ccccc1CNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000019933108 553635667 /nfs/dbraw/zinc/63/56/67/553635667.db2.gz PCZPGKNQRXNNBS-UHFFFAOYSA-N 0 0 505.556 3.601 40 5 KHBBRN Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000019941341 553643731 /nfs/dbraw/zinc/64/37/31/553643731.db2.gz PVEQRGONKHLVNS-RUZDIDTESA-N 0 0 514.590 3.758 40 5 KHBBRN Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000019941342 553643749 /nfs/dbraw/zinc/64/37/49/553643749.db2.gz PVEQRGONKHLVNS-VWLOTQADSA-N 0 0 514.590 3.758 40 5 KHBBRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000019972922 553649932 /nfs/dbraw/zinc/64/99/32/553649932.db2.gz JOYNYBLQWWUIBY-XMMPIXPASA-N 0 0 516.606 3.652 40 5 KHBBRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000019972923 553650039 /nfs/dbraw/zinc/65/00/39/553650039.db2.gz JOYNYBLQWWUIBY-DEOSSOPVSA-N 0 0 516.606 3.652 40 5 KHBBRN Cc1nccn1-c1ccccc1CNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000020040880 553668953 /nfs/dbraw/zinc/66/89/53/553668953.db2.gz VMFBOKZMQMHQAA-UHFFFAOYSA-N 0 0 505.556 3.601 40 5 KHBBRN COc1ccc(N(CC(=O)N(C)Cc2ccccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000020043646 553669521 /nfs/dbraw/zinc/66/95/21/553669521.db2.gz ZEBXNKSJLAMYDT-UHFFFAOYSA-N 0 0 513.572 3.774 40 5 KHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000020045492 553669718 /nfs/dbraw/zinc/66/97/18/553669718.db2.gz BVXJSYWSITYAJP-UHFFFAOYSA-N 0 0 512.382 3.546 40 5 KHBBRN CCOc1ccccc1CNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020046962 553670242 /nfs/dbraw/zinc/67/02/42/553670242.db2.gz PJGLZTDRSLUOBG-UHFFFAOYSA-N 0 0 513.572 3.822 40 5 KHBBRN Cc1ccc2cc([C@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1C ZINC000020082777 553682642 /nfs/dbraw/zinc/68/26/42/553682642.db2.gz WMUGWIDPXXMFFC-XMMPIXPASA-N 0 0 516.606 3.706 40 5 KHBBRN Cc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1C ZINC000020082780 553682617 /nfs/dbraw/zinc/68/26/17/553682617.db2.gz WMUGWIDPXXMFFC-DEOSSOPVSA-N 0 0 516.606 3.706 40 5 KHBBRN Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000020083076 553683377 /nfs/dbraw/zinc/68/33/77/553683377.db2.gz TWYIRPNLJWHJBA-XMMPIXPASA-N 0 0 516.606 3.706 40 5 KHBBRN Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000020083079 553683422 /nfs/dbraw/zinc/68/34/22/553683422.db2.gz TWYIRPNLJWHJBA-DEOSSOPVSA-N 0 0 516.606 3.706 40 5 KHBBRN Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc12 ZINC000020083289 553683984 /nfs/dbraw/zinc/68/39/84/553683984.db2.gz XHKRODKADWIWPN-XMMPIXPASA-N 0 0 516.606 3.706 40 5 KHBBRN Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc12 ZINC000020083292 553683935 /nfs/dbraw/zinc/68/39/35/553683935.db2.gz XHKRODKADWIWPN-DEOSSOPVSA-N 0 0 516.606 3.706 40 5 KHBBRN Cc1cc(C)c2cc([C@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1 ZINC000020083510 553684284 /nfs/dbraw/zinc/68/42/84/553684284.db2.gz NQFROTWMBJMNEG-XMMPIXPASA-N 0 0 516.606 3.706 40 5 KHBBRN Cc1cc(C)c2cc([C@@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1 ZINC000020083514 553684279 /nfs/dbraw/zinc/68/42/79/553684279.db2.gz NQFROTWMBJMNEG-DEOSSOPVSA-N 0 0 516.606 3.706 40 5 KHBBRN Cc1cc2cc([C@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2cc1C ZINC000020083637 553684487 /nfs/dbraw/zinc/68/44/87/553684487.db2.gz YUMGCTPDWLVYHW-XMMPIXPASA-N 0 0 516.606 3.706 40 5 KHBBRN Cc1cc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2cc1C ZINC000020083639 553684478 /nfs/dbraw/zinc/68/44/78/553684478.db2.gz YUMGCTPDWLVYHW-DEOSSOPVSA-N 0 0 516.606 3.706 40 5 KHBBRN COc1ccc([C@@H](C)NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000020106542 553689914 /nfs/dbraw/zinc/68/99/14/553689914.db2.gz XEJILJSACBCELN-GOSISDBHSA-N 0 0 513.572 3.993 40 5 KHBBRN COc1ccc([C@H](C)NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000020106544 553690066 /nfs/dbraw/zinc/69/00/66/553690066.db2.gz XEJILJSACBCELN-SFHVURJKSA-N 0 0 513.572 3.993 40 5 KHBBRN CCOc1cccc(CNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000020109121 553692008 /nfs/dbraw/zinc/69/20/08/553692008.db2.gz VFXSYOXMJAWLOL-UHFFFAOYSA-N 0 0 513.572 3.822 40 5 KHBBRN O=C(NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000020153149 553597437 /nfs/dbraw/zinc/59/74/37/553597437.db2.gz WRJXITYAZPPQGJ-UHFFFAOYSA-N 0 0 516.963 3.964 40 5 KHBBRN O=C(NC(=S)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000020153153 553597493 /nfs/dbraw/zinc/59/74/93/553597493.db2.gz PWCQMOJYDAKOJX-UHFFFAOYSA-N 0 0 516.963 3.964 40 5 KHBBRN O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000020153158 553597401 /nfs/dbraw/zinc/59/74/01/553597401.db2.gz PSLFBPAMSGYPTR-UHFFFAOYSA-N 0 0 516.963 3.964 40 5 KHBBRN O=C(NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000020153321 553598001 /nfs/dbraw/zinc/59/80/01/553598001.db2.gz HSJGNBGSBWRIDQ-UHFFFAOYSA-N 0 0 516.963 3.964 40 5 KHBBRN O=C(NC(=S)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000020153325 553598028 /nfs/dbraw/zinc/59/80/28/553598028.db2.gz CTJYGWSRCNNJSF-UHFFFAOYSA-N 0 0 516.963 3.964 40 5 KHBBRN O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000020153330 553597929 /nfs/dbraw/zinc/59/79/29/553597929.db2.gz XFRQCEJSIVBOIG-UHFFFAOYSA-N 0 0 516.963 3.964 40 5 KHBBRN COc1ccc(N(CC(=O)Nc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000020239388 553625206 /nfs/dbraw/zinc/62/52/06/553625206.db2.gz MWZWPFVMJKZZNN-UHFFFAOYSA-N 0 0 515.544 3.763 40 5 KHBBRN COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)COc4ccccc4[N+](=O)[O-])cc3)CC2)c1 ZINC000020411679 553646594 /nfs/dbraw/zinc/64/65/94/553646594.db2.gz BRRYJMMCFKDKFF-UHFFFAOYSA-N 0 0 520.542 3.592 40 5 KHBBRN COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3)CC2)c1 ZINC000020411680 553646482 /nfs/dbraw/zinc/64/64/82/553646482.db2.gz UYLMYGVEFVCFSI-UHFFFAOYSA-N 0 0 520.542 3.592 40 5 KHBBRN COc1ccc(N(CC(=O)Nc2cc(C)ccc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000020452024 553651677 /nfs/dbraw/zinc/65/16/77/553651677.db2.gz MJXJKNHOPNJQIY-UHFFFAOYSA-N 0 0 515.544 3.763 40 5 KHBBRN CCOc1ccc(CCNC(=O)Cn2cc([N+](=O)[O-])c(-c3cnn(-c4ccccc4)c3)n2)cc1OCC ZINC000021573566 553712483 /nfs/dbraw/zinc/71/24/83/553712483.db2.gz CZDXJPHUDOPXDS-UHFFFAOYSA-N 0 0 504.547 3.800 40 5 KHBBRN CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000021576564 553712742 /nfs/dbraw/zinc/71/27/42/553712742.db2.gz MFULGNSDQQQDPI-UHFFFAOYSA-N 0 0 515.998 3.786 40 5 KHBBRN CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1 ZINC000021576576 553712776 /nfs/dbraw/zinc/71/27/76/553712776.db2.gz NXCVINGOMUNWTD-UHFFFAOYSA-N 0 0 515.998 3.786 40 5 KHBBRN Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 ZINC000021578422 553713856 /nfs/dbraw/zinc/71/38/56/553713856.db2.gz NUTQRUNABBJPAJ-UHFFFAOYSA-N 0 0 504.952 3.913 40 5 KHBBRN Cc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000021595212 553714703 /nfs/dbraw/zinc/71/47/03/553714703.db2.gz IUMWYQVAMAOQDM-UHFFFAOYSA-N 0 0 509.544 3.712 40 5 KHBBRN CCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2s1 ZINC000021595459 553714709 /nfs/dbraw/zinc/71/47/09/553714709.db2.gz JBEVVLSMIVIMQU-UHFFFAOYSA-N 0 0 514.589 3.516 40 5 KHBBRN Cc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000021595990 553715172 /nfs/dbraw/zinc/71/51/72/553715172.db2.gz ASSFDQFVOBQNSD-UHFFFAOYSA-N 0 0 509.544 3.712 40 5 KHBBRN COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000022254560 553732892 /nfs/dbraw/zinc/73/28/92/553732892.db2.gz YYPNBHYIPQLQNQ-UHFFFAOYSA-N 0 0 503.508 3.970 40 5 KHBBRN CCOc1ccc(NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000022278946 553736470 /nfs/dbraw/zinc/73/64/70/553736470.db2.gz YFVKZYPKIMXDJF-UHFFFAOYSA-N 0 0 515.544 3.845 40 5 KHBBRN COc1ccc(N(CC(=O)Nc2ccc(C(C)=O)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000022278977 553736565 /nfs/dbraw/zinc/73/65/65/553736565.db2.gz YHUZYQUPGFFPBZ-UHFFFAOYSA-N 0 0 513.528 3.649 40 5 KHBBRN Cc1nccn1-c1ccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 ZINC000022429738 553739944 /nfs/dbraw/zinc/73/99/44/553739944.db2.gz OBUJWFMAXBFARO-UHFFFAOYSA-N 0 0 505.556 3.601 40 5 KHBBRN Cc1nccn1-c1ccc(CNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022429820 553739971 /nfs/dbraw/zinc/73/99/71/553739971.db2.gz VBOWDGNBBDQGAD-UHFFFAOYSA-N 0 0 505.556 3.601 40 5 KHBBRN O=C(NC(=S)Nc1c(F)cc(F)cc1Br)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022823843 553751883 /nfs/dbraw/zinc/75/18/83/553751883.db2.gz IFTGTGLRRLKZKW-UHFFFAOYSA-N 0 0 501.309 3.599 40 5 KHBBRN O=C(NC(=S)Nc1ccc2oc(-c3ccncc3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022827926 553753627 /nfs/dbraw/zinc/75/36/27/553753627.db2.gz ZQYYNOJDNRFDHD-UHFFFAOYSA-N 0 0 504.528 3.761 40 5 KHBBRN O=C(NC(=S)Nc1ccc(-c2nc3ncccc3o2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022827930 553753566 /nfs/dbraw/zinc/75/35/66/553753566.db2.gz UWUBOKKPUVIHFP-UHFFFAOYSA-N 0 0 504.528 3.761 40 5 KHBBRN O=C(NC(=S)Nc1ccc2oc(-c3cccnc3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022827935 553753876 /nfs/dbraw/zinc/75/38/76/553753876.db2.gz VBJMOSCXKPLLIW-UHFFFAOYSA-N 0 0 504.528 3.761 40 5 KHBBRN O=C(Nc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1)c1ccccc1 ZINC000022829596 553754334 /nfs/dbraw/zinc/75/43/34/553754334.db2.gz MHNUTOFDOHKDBX-UHFFFAOYSA-N 0 0 505.556 3.811 40 5 KHBBRN O=C(Nc1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1)c1ccccc1 ZINC000022829601 553754521 /nfs/dbraw/zinc/75/45/21/553754521.db2.gz FRWVFNQVZNGZCM-UHFFFAOYSA-N 0 0 505.556 3.811 40 5 KHBBRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 ZINC000022829997 553754629 /nfs/dbraw/zinc/75/46/29/553754629.db2.gz GEHKPGNOAFBGNG-UHFFFAOYSA-N 0 0 505.984 3.950 40 5 KHBBRN COc1ccc(C(=O)NC(=S)Nc2ccc(N3C(=O)c4ccccc4C3=O)c(OC)c2)cc1[N+](=O)[O-] ZINC000022830276 553754673 /nfs/dbraw/zinc/75/46/73/553754673.db2.gz ZVAZMQKKZKJTNS-UHFFFAOYSA-N 0 0 506.496 3.539 40 5 KHBBRN COc1cc2sc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)nc2cc1Cl ZINC000022832186 553755509 /nfs/dbraw/zinc/75/55/09/553755509.db2.gz LIQYMXVGDGHPAE-UHFFFAOYSA-N 0 0 507.981 3.830 40 5 KHBBRN Cc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1NC(=O)c1ccco1 ZINC000022833779 553756198 /nfs/dbraw/zinc/75/61/98/553756198.db2.gz WMJIMQIEMMXMPV-UHFFFAOYSA-N 0 0 509.544 3.712 40 5 KHBBRN CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 ZINC000022834434 553756503 /nfs/dbraw/zinc/75/65/03/553756503.db2.gz URWRFMFOGQOPGL-UHFFFAOYSA-N 0 0 510.395 3.707 40 5 KHBBRN O=C(Nc1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1)c1cccs1 ZINC000022835550 553756810 /nfs/dbraw/zinc/75/68/10/553756810.db2.gz ZFCGOQQKFDHCHQ-UHFFFAOYSA-N 0 0 511.585 3.872 40 5 KHBBRN O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022838762 553758062 /nfs/dbraw/zinc/75/80/62/553758062.db2.gz JXKMACAQXHKLNA-UHFFFAOYSA-N 0 0 514.545 3.590 40 5 KHBBRN CCOc1ccc([C@H]2C(C(=O)OC)=C(C)N[C@H]3SC(=Cc4ccc([N+](=O)[O-])o4)C(=O)N32)cc1OCC ZINC000022839913 553758358 /nfs/dbraw/zinc/75/83/58/553758358.db2.gz QSXBKSGRMBZXKA-PJLIMZHMSA-N 0 0 515.544 3.977 40 5 KHBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)N[C@H]3SC(=Cc4ccc([N+](=O)[O-])o4)C(=O)N32)cc1OCC ZINC000022839918 553758360 /nfs/dbraw/zinc/75/83/60/553758360.db2.gz QSXBKSGRMBZXKA-UHWQDEESSA-N 0 0 515.544 3.977 40 5 KHBBRN 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Cc1cc2nn(-c3ccccc3)nc2cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022842507 553759103 /nfs/dbraw/zinc/75/91/03/553759103.db2.gz ASCWENIWFXGVKH-UHFFFAOYSA-N 0 0 517.571 3.601 40 5 KHBBRN Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3n2)cc1 ZINC000022842512 553759073 /nfs/dbraw/zinc/75/90/73/553759073.db2.gz ATYAORMCQUSDEK-UHFFFAOYSA-N 0 0 517.571 3.601 40 5 KHBBRN O=C(Cc1ccccc1)Nc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000022844070 553759909 /nfs/dbraw/zinc/75/99/09/553759909.db2.gz DCMHRAUDLXWXCL-UHFFFAOYSA-N 0 0 519.583 3.739 40 5 KHBBRN Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)CC1 ZINC000022861180 553763215 /nfs/dbraw/zinc/76/32/15/553763215.db2.gz RIVCMCCZIHRMOH-UHFFFAOYSA-N 0 0 529.597 3.955 40 5 KHBBRN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)CC2)cc1 ZINC000022861183 553763134 /nfs/dbraw/zinc/76/31/34/553763134.db2.gz YZXZTJCDMJINFG-UHFFFAOYSA-N 0 0 529.597 3.955 40 5 KHBBRN 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O=[N+]([O-])c1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc(Br)cc2F)cc1 ZINC000032640671 553872204 /nfs/dbraw/zinc/87/22/04/553872204.db2.gz BAHVEHRZVDQKLK-NVXWUHKLSA-N 0 0 500.371 3.771 40 5 KHBBRN O=[N+]([O-])c1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Br)cc2F)cc1 ZINC000032640672 553872125 /nfs/dbraw/zinc/87/21/25/553872125.db2.gz BAHVEHRZVDQKLK-WBVHZDCISA-N 0 0 500.371 3.771 40 5 KHBBRN O=c1[nH]c2c(s1)[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]1S2 ZINC000033353699 553926417 /nfs/dbraw/zinc/92/64/17/553926417.db2.gz LFODMOSKFXPBHF-LZWOXQAQSA-N 0 0 518.370 3.903 40 5 KHBBRN Cc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1[N+](=O)[O-] ZINC000033445160 553960485 /nfs/dbraw/zinc/96/04/85/553960485.db2.gz PJDVOQNGWJPDTC-UHFFFAOYSA-N 0 0 512.592 3.639 40 5 KHBBRN O=C(C1=C2C(O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12)c1cccc([N+](=O)[O-])c1 ZINC000033643910 553965781 /nfs/dbraw/zinc/96/57/81/553965781.db2.gz CGCATMVRGOABAG-OJJQZRKESA-N 0 0 509.474 3.722 40 5 KHBBRN O=C(C1=C2C(O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12)c1cccc([N+](=O)[O-])c1 ZINC000033643911 553965770 /nfs/dbraw/zinc/96/57/70/553965770.db2.gz CGCATMVRGOABAG-CXSMSNRLSA-N 0 0 509.474 3.722 40 5 KHBBRN COc1ccc(Br)cc1C(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000033664363 553966733 /nfs/dbraw/zinc/96/67/33/553966733.db2.gz ADYYLJQZCQIRTB-UHFFFAOYSA-N 0 0 513.801 3.856 40 5 KHBBRN O=C(C1=C2C(O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12)c1ccc([N+](=O)[O-])cc1 ZINC000033675352 553967275 /nfs/dbraw/zinc/96/72/75/553967275.db2.gz GYQKRLLXCBXWLS-OJJQZRKESA-N 0 0 509.474 3.722 40 5 KHBBRN O=C(C1=C2C(O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12)c1ccc([N+](=O)[O-])cc1 ZINC000033675353 553967307 /nfs/dbraw/zinc/96/73/07/553967307.db2.gz GYQKRLLXCBXWLS-CXSMSNRLSA-N 0 0 509.474 3.722 40 5 KHBBRN CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000033752712 553972137 /nfs/dbraw/zinc/97/21/37/553972137.db2.gz 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/nfs/dbraw/zinc/03/37/95/554033795.db2.gz WARYRQAGKNFRAI-MRXNPFEDSA-N 0 0 509.390 3.854 40 5 KHBBRN COc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)C(C)C)cc1 ZINC000035104868 554034719 /nfs/dbraw/zinc/03/47/19/554034719.db2.gz LCBONZVHHHUBLU-OAQYLSRUSA-N 0 0 512.592 3.898 40 5 KHBBRN COc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)C(C)C)cc1 ZINC000035104869 554034683 /nfs/dbraw/zinc/03/46/83/554034683.db2.gz LCBONZVHHHUBLU-NRFANRHFSA-N 0 0 512.592 3.898 40 5 KHBBRN CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000035167362 554040471 /nfs/dbraw/zinc/04/04/71/554040471.db2.gz KZVSSXZVGUQUDU-UHFFFAOYSA-N 0 0 518.983 3.572 40 5 KHBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000035202106 554041661 /nfs/dbraw/zinc/04/16/61/554041661.db2.gz PLNSKHMATZKQQP-MRXNPFEDSA-N 0 0 512.592 3.674 40 5 KHBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000035202109 554041569 /nfs/dbraw/zinc/04/15/69/554041569.db2.gz PLNSKHMATZKQQP-INIZCTEOSA-N 0 0 512.592 3.674 40 5 KHBBRN O=C(COc1ccccc1[N+](=O)[O-])NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl ZINC000035263800 554042536 /nfs/dbraw/zinc/04/25/36/554042536.db2.gz URBJQJBGFNAKTQ-UHFFFAOYSA-N 0 0 510.915 3.941 40 5 KHBBRN O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl ZINC000035263801 554042542 /nfs/dbraw/zinc/04/25/42/554042542.db2.gz FCBIXOYOZNOANJ-UHFFFAOYSA-N 0 0 510.915 3.941 40 5 KHBBRN Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000035843258 554081975 /nfs/dbraw/zinc/08/19/75/554081975.db2.gz MVRFQLHSZBCHKP-SAQZZPNQSA-N 0 0 501.326 3.641 40 5 KHBBRN Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000035843316 554082043 /nfs/dbraw/zinc/08/20/43/554082043.db2.gz YWNCDVPSHHKFET-PRHHBONVSA-N 0 0 501.326 3.641 40 5 KHBBRN COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2cccnc2)[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN21 ZINC000035851902 554083993 /nfs/dbraw/zinc/08/39/93/554083993.db2.gz YEUCEGPXNWSFKT-ICLZECGLSA-N 0 0 502.552 3.817 40 5 KHBBRN COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H](C(=O)c2cccnc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 ZINC000035889798 554089848 /nfs/dbraw/zinc/08/98/48/554089848.db2.gz SHKKOVFTZJGACC-ONJIFJTESA-N 0 0 502.552 3.817 40 5 KHBBRN COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2cccnc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 ZINC000035889801 554089850 /nfs/dbraw/zinc/08/98/50/554089850.db2.gz SHKKOVFTZJGACC-ICLZECGLSA-N 0 0 502.552 3.817 40 5 KHBBRN COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H](C(=O)c2cccnc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 ZINC000035889804 554089887 /nfs/dbraw/zinc/08/98/87/554089887.db2.gz SHKKOVFTZJGACC-FCBCXNLDSA-N 0 0 502.552 3.817 40 5 KHBBRN COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2cccnc2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN21 ZINC000036315271 554219528 /nfs/dbraw/zinc/21/95/28/554219528.db2.gz YEUCEGPXNWSFKT-ZGXDEKTJSA-N 0 0 502.552 3.817 40 5 KHBBRN COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2cccnc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 ZINC000036316838 554219918 /nfs/dbraw/zinc/21/99/18/554219918.db2.gz SHKKOVFTZJGACC-ZGXDEKTJSA-N 0 0 502.552 3.817 40 5 KHBBRN COc1ccc(CNC(=O)CCCn2cc([N+](=O)[O-])c(-c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)cc1 ZINC000036620839 554226266 /nfs/dbraw/zinc/22/62/66/554226266.db2.gz XHQQGCSRRZIURN-UHFFFAOYSA-N 0 0 505.491 3.657 40 5 KHBBRN Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cc2cc(Br)cc(Br)c2oc1=O ZINC000036627509 554227912 /nfs/dbraw/zinc/22/79/12/554227912.db2.gz AOFAEZIPZNLBKP-UHFFFAOYSA-N 0 0 501.087 3.588 40 5 KHBBRN O=[N+]([O-])c1ccc(Nc2nc(NCCN3CCOCC3)nc(Nc3ccc(I)cc3)n2)cc1 ZINC000038143507 554265650 /nfs/dbraw/zinc/26/56/50/554265650.db2.gz GVUAFJVPRYMONJ-UHFFFAOYSA-N 0 0 562.372 3.616 40 5 KHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[nH]c(=O)c21 ZINC000040400282 554284424 /nfs/dbraw/zinc/28/44/24/554284424.db2.gz YETIRVPQBJZRSD-CQSZACIVSA-N 0 0 502.409 3.813 40 5 KHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[nH]c(=O)c21 ZINC000040400284 554284559 /nfs/dbraw/zinc/28/45/59/554284559.db2.gz YETIRVPQBJZRSD-AWEZNQCLSA-N 0 0 502.409 3.813 40 5 KHBBRN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4cccc(C(F)(F)F)c4)[nH]c(=O)c32)cc1[N+](=O)[O-] ZINC000040400298 554284476 /nfs/dbraw/zinc/28/44/76/554284476.db2.gz ZTHLZHVGAOMKCW-CQSZACIVSA-N 0 0 502.409 3.813 40 5 KHBBRN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4cccc(C(F)(F)F)c4)[nH]c(=O)c32)cc1[N+](=O)[O-] ZINC000040400300 554284996 /nfs/dbraw/zinc/28/49/96/554284996.db2.gz ZTHLZHVGAOMKCW-AWEZNQCLSA-N 0 0 502.409 3.813 40 5 KHBBRN CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)CC1 ZINC000040717689 554287888 /nfs/dbraw/zinc/28/78/88/554287888.db2.gz LPFAPEQQEFAHRZ-UHFFFAOYSA-N 0 0 524.647 3.771 40 5 KHBBRN CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)CC1 ZINC000040718020 554288054 /nfs/dbraw/zinc/28/80/54/554288054.db2.gz LUACLCMWHAVSKK-UHFFFAOYSA-N 0 0 524.647 3.771 40 5 KHBBRN O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@@H]2CCCN2[C@]2(C(=O)Nc3ccc(F)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000049885725 554326676 /nfs/dbraw/zinc/32/66/76/554326676.db2.gz JFQBHQHEJPOBSJ-CCXYNAMNSA-N 0 0 512.497 3.749 40 5 KHBBRN O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@@H]2CCCN2[C@]2(C(=O)Nc3ccc(F)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000049885727 554326619 /nfs/dbraw/zinc/32/66/19/554326619.db2.gz JFQBHQHEJPOBSJ-FDOTVTPFSA-N 0 0 512.497 3.749 40 5 KHBBRN O=C(C1=C2C(O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12)c1cccc([N+](=O)[O-])c1 ZINC000049890365 554326918 /nfs/dbraw/zinc/32/69/18/554326918.db2.gz OMVGBLPMDFDFFN-NEWJYFPISA-N 0 0 510.462 3.901 40 5 KHBBRN O=C(C1=C2C(O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12)c1cccc([N+](=O)[O-])c1 ZINC000049890367 554326878 /nfs/dbraw/zinc/32/68/78/554326878.db2.gz OMVGBLPMDFDFFN-CJRSTVEYSA-N 0 0 510.462 3.901 40 5 KHBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000054201017 554349179 /nfs/dbraw/zinc/34/91/79/554349179.db2.gz POHIYMFOZBHXKW-FQEVSTJZSA-N 0 0 504.362 3.886 40 5 KHBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000054201018 554349200 /nfs/dbraw/zinc/34/92/00/554349200.db2.gz POHIYMFOZBHXKW-HXUWFJFHSA-N 0 0 504.362 3.886 40 5 KHBBRN CCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2s1 ZINC000057315908 554354601 /nfs/dbraw/zinc/35/46/01/554354601.db2.gz AVRBIOPZXCOMMW-UHFFFAOYSA-N 0 0 514.589 3.516 40 5 KHBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)cc1[N+](=O)[O-] ZINC000057316347 554355109 /nfs/dbraw/zinc/35/51/09/554355109.db2.gz KEGPCYZNJNSKCO-UHFFFAOYSA-N 0 0 513.620 3.815 40 5 KHBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)cc1[N+](=O)[O-] ZINC000057316350 554355054 /nfs/dbraw/zinc/35/50/54/554355054.db2.gz BLKCPTMLVCULIW-UHFFFAOYSA-N 0 0 513.620 3.815 40 5 KHBBRN COc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])cc3)CC2)cc1 ZINC000057316406 554355083 /nfs/dbraw/zinc/35/50/83/554355083.db2.gz ILWAHHMMLATMNX-UHFFFAOYSA-N 0 0 519.583 3.693 40 5 KHBBRN COc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3)CC2)cc1 ZINC000057316414 554355087 /nfs/dbraw/zinc/35/50/87/554355087.db2.gz FZULPKFHQBCRJG-UHFFFAOYSA-N 0 0 519.583 3.693 40 5 KHBBRN COc1ccc(C(=O)NC(=S)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc1[N+](=O)[O-] ZINC000057316689 554355646 /nfs/dbraw/zinc/35/56/46/554355646.db2.gz SREULGLMXKDSFZ-UHFFFAOYSA-N 0 0 506.865 3.650 40 5 KHBBRN O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000057317287 554356138 /nfs/dbraw/zinc/35/61/38/554356138.db2.gz HBAZYHHLVBRJJP-UHFFFAOYSA-N 0 0 502.852 3.604 40 5 KHBBRN O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000057317329 554356106 /nfs/dbraw/zinc/35/61/06/554356106.db2.gz YFQMPIANNLCMKI-UHFFFAOYSA-N 0 0 502.852 3.604 40 5 KHBBRN COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000057328149 554356423 /nfs/dbraw/zinc/35/64/23/554356423.db2.gz BDRCQTGKBKRKAS-UHFFFAOYSA-N 0 0 510.528 3.605 40 5 KHBBRN COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000057328312 554356460 /nfs/dbraw/zinc/35/64/60/554356460.db2.gz LPGWWRPACBDYJD-UHFFFAOYSA-N 0 0 510.528 3.605 40 5 KHBBRN O=c1/c(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000058865228 554370588 /nfs/dbraw/zinc/37/05/88/554370588.db2.gz ZNYXNYDHYHSBMJ-DJTCXORXSA-N 0 0 509.543 3.956 40 5 KHBBRN O=c1/c(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000058865231 554370525 /nfs/dbraw/zinc/37/05/25/554370525.db2.gz ZNYXNYDHYHSBMJ-LNXFQTKESA-N 0 0 509.543 3.956 40 5 KHBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000059246171 554386261 /nfs/dbraw/zinc/38/62/61/554386261.db2.gz CVXTWNSWZORGCK-YPKVGQCMSA-N 0 0 511.559 3.844 40 5 KHBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1 ZINC000059246172 554386417 /nfs/dbraw/zinc/38/64/17/554386417.db2.gz CVXTWNSWZORGCK-BDPRQDHOSA-N 0 0 511.559 3.844 40 5 KHBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000059246189 193892747 /nfs/dbraw/zinc/89/27/47/193892747.db2.gz KYNFGWKQNJCZCQ-YPKVGQCMSA-N 0 0 511.559 3.844 40 5 KHBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000059246192 554386580 /nfs/dbraw/zinc/38/65/80/554386580.db2.gz KYNFGWKQNJCZCQ-BDPRQDHOSA-N 0 0 511.559 3.844 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000059247789 193892763 /nfs/dbraw/zinc/89/27/63/193892763.db2.gz FTIYBULDDYTXGW-NFYDWNOTSA-N 0 0 589.582 3.704 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000059247791 554386591 /nfs/dbraw/zinc/38/65/91/554386591.db2.gz FTIYBULDDYTXGW-ZFWDJNJRSA-N 0 0 589.582 3.704 40 5 KHBBRN COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nnnn3C)cc2s1 ZINC000059305516 554388014 /nfs/dbraw/zinc/38/80/14/554388014.db2.gz XVZCDEBOIDHUON-UHFFFAOYSA-N 0 0 503.591 3.760 40 5 KHBBRN O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000059331394 554388334 /nfs/dbraw/zinc/38/83/34/554388334.db2.gz VGVZWYARJFJRKY-UHFFFAOYSA-N 0 0 518.983 3.594 40 5 KHBBRN O=C(NC(=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000059331395 554388268 /nfs/dbraw/zinc/38/82/68/554388268.db2.gz VBVISUXYKLTSFZ-UHFFFAOYSA-N 0 0 518.983 3.594 40 5 KHBBRN CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000059331443 554388550 /nfs/dbraw/zinc/38/85/50/554388550.db2.gz WPEFXADGNCBWSD-UHFFFAOYSA-N 0 0 518.617 3.675 40 5 KHBBRN Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000059331453 554388594 /nfs/dbraw/zinc/38/85/94/554388594.db2.gz WZOJBGCDPKKQBT-UHFFFAOYSA-N 0 0 517.571 3.601 40 5 KHBBRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000059331454 554388845 /nfs/dbraw/zinc/38/88/45/554388845.db2.gz HQFYLSLZUYSKHU-UHFFFAOYSA-N 0 0 517.571 3.601 40 5 KHBBRN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000059331511 554388856 /nfs/dbraw/zinc/38/88/56/554388856.db2.gz KYRDLEIYJOQLOB-UHFFFAOYSA-N 0 0 520.589 3.655 40 5 KHBBRN O=C(Cc1ccccc1)Nc1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000059331643 554390389 /nfs/dbraw/zinc/39/03/89/554390389.db2.gz OIRIBMOGRBXIHQ-UHFFFAOYSA-N 0 0 519.583 3.739 40 5 KHBBRN COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)cc1[N+](=O)[O-] ZINC000059331683 554390425 /nfs/dbraw/zinc/39/04/25/554390425.db2.gz VDXSJAAFFYRZJF-UHFFFAOYSA-N 0 0 519.583 3.693 40 5 KHBBRN CC(C)C(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000059331695 554390469 /nfs/dbraw/zinc/39/04/69/554390469.db2.gz OMVOWODLGGGXTE-UHFFFAOYSA-N 0 0 524.647 3.626 40 5 KHBBRN CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)CC1 ZINC000059331698 554390514 /nfs/dbraw/zinc/39/05/14/554390514.db2.gz GCHFCTDMEZUCAW-UHFFFAOYSA-N 0 0 524.647 3.626 40 5 KHBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)CC)CC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000059331704 554390429 /nfs/dbraw/zinc/39/04/29/554390429.db2.gz USMDTKKDUPTTJN-UHFFFAOYSA-N 0 0 520.011 3.832 40 5 KHBBRN CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000059331715 554390766 /nfs/dbraw/zinc/39/07/66/554390766.db2.gz GFSPLPJWTLAVMQ-UHFFFAOYSA-N 0 0 520.011 3.832 40 5 KHBBRN CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000059331733 554390770 /nfs/dbraw/zinc/39/07/70/554390770.db2.gz LPDWEEKPKNKKMN-UHFFFAOYSA-N 0 0 524.647 3.771 40 5 KHBBRN Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1 ZINC000059331932 554392322 /nfs/dbraw/zinc/39/23/22/554392322.db2.gz LTIMDGLFUBBWAO-UHFFFAOYSA-N 0 0 529.597 3.955 40 5 KHBBRN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000059331937 554392255 /nfs/dbraw/zinc/39/22/55/554392255.db2.gz YEMCUQXTGFBDOH-UHFFFAOYSA-N 0 0 521.599 3.708 40 5 KHBBRN O=c1c2ccc3c(=O)n(CCc4ccc(F)cc4)c(=O)c4ccc(c(=O)n1CCc1ccc(F)cc1)c2c34 ZINC000059484446 193900954 /nfs/dbraw/zinc/90/09/54/193900954.db2.gz BYWCEKYMKGOGIG-UHFFFAOYSA-N 0 0 510.496 3.829 40 5 KHBBRN COc1ccc(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000059882442 554458436 /nfs/dbraw/zinc/45/84/36/554458436.db2.gz HRSVDXMUCSZBDF-UHFFFAOYSA-N 0 0 542.589 3.595 40 5 KHBBRN COC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000059888142 554470456 /nfs/dbraw/zinc/47/04/56/554470456.db2.gz GSGNSHSIXYGZDT-UHFFFAOYSA-N 0 0 543.554 3.541 40 5 KHBBRN COc1ccc(N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000059924114 554474846 /nfs/dbraw/zinc/47/48/46/554474846.db2.gz QSPBRNKMYXLZRR-UHFFFAOYSA-N 0 0 538.582 3.873 40 5 KHBBRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000059953601 554484110 /nfs/dbraw/zinc/48/41/10/554484110.db2.gz RANVRLACWVBWHZ-UHFFFAOYSA-N 0 0 543.554 3.623 40 5 KHBBRN COc1ccc(N(CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000060028594 554493781 /nfs/dbraw/zinc/49/37/81/554493781.db2.gz YPFSUBSFXMPRPF-UHFFFAOYSA-N 0 0 618.690 3.539 40 5 KHBBRN COc1ccc(N(CC(=O)N(C)Cc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000060059934 554498177 /nfs/dbraw/zinc/49/81/77/554498177.db2.gz AMGZNXQOVBSKDU-UHFFFAOYSA-N 0 0 543.598 3.783 40 5 KHBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000066112157 554528518 /nfs/dbraw/zinc/52/85/18/554528518.db2.gz OMDLODAAINEDFQ-LMTOTAIGSA-N 0 0 541.585 3.852 40 5 KHBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000066112158 554528398 /nfs/dbraw/zinc/52/83/98/554528398.db2.gz OMDLODAAINEDFQ-FGSNJIQSSA-N 0 0 541.585 3.852 40 5 KHBBRN O=C(/N=c1\sn(-c2ccccc2)c(=O)n1-c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccccc1 ZINC000068562913 554539101 /nfs/dbraw/zinc/53/91/01/554539101.db2.gz DUGBIDJBEDIKAD-ATJXCDBQSA-N 0 0 523.443 3.547 40 5 KHBBRN COc1ccc2c3nccc4c5cc(O[C@@H](C)C(=O)NCCCN6CCCC6=O)ccc5n(c43)c(=O)c2c1OC ZINC000070708167 553632312 /nfs/dbraw/zinc/63/23/12/553632312.db2.gz JMFHYWGGMMGBDW-KRWDZBQOSA-N 0 0 542.592 3.505 40 5 biogenic KHBBRN COc1ccc2c3nccc4c5cc(O[C@H](C)C(=O)NCCCN6CCCC6=O)ccc5n(c43)c(=O)c2c1OC ZINC000070708172 553632294 /nfs/dbraw/zinc/63/22/94/553632294.db2.gz JMFHYWGGMMGBDW-QGZVFWFLSA-N 0 0 542.592 3.505 40 5 biogenic KHBBRN COc1ccc2c3nc(C(=O)N4CCN(C(=O)c5ccco5)CC4)cc4c5ccccc5n(c43)c(=O)c2c1OC ZINC000070708211 553632317 /nfs/dbraw/zinc/63/23/17/553632317.db2.gz PJUMHAOZGLVUOC-UHFFFAOYSA-N 0 0 536.544 3.800 40 5 biogenic KHBBRN CC(=O)N[C@H]1[C@@H](Oc2ccc([N+](=O)[O-])cc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]1OC(=O)c1ccccc1 ZINC000072132313 553643508 /nfs/dbraw/zinc/64/35/08/553643508.db2.gz WQXXCAZPTAQWMO-HQYJEEOUSA-N 0 0 534.521 3.543 40 5 in-vitro KHBBRN CC(=O)N[C@H]1[C@@H](Oc2ccc([N+](=O)[O-])cc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H]1OC(=O)c1ccccc1 ZINC000077311705 553663036 /nfs/dbraw/zinc/66/30/36/553663036.db2.gz WQXXCAZPTAQWMO-NTTIBTAJSA-N 0 0 534.521 3.543 40 5 in-vitro KHBBRN O=[N+]([O-])c1ccc(O[C@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)cc1 ZINC000077311849 553663355 /nfs/dbraw/zinc/66/33/55/553663355.db2.gz HUYKQPASBOHHIN-RLXMVLCYSA-N 0 0 543.572 3.790 40 5 in-vitro KHBBRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000085341170 291814935 /nfs/dbraw/zinc/81/49/35/291814935.db2.gz VGOYUFKGSPMAOZ-QNMIOERPSA-N 0 0 562.531 3.755 40 5 biogenic,in-vitro KHBBRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000085341173 553678586 /nfs/dbraw/zinc/67/85/86/553678586.db2.gz PXLMSFXTMZAFQK-QNMIOERPSA-N 0 0 562.531 3.755 40 5 biogenic,in-vitro KHBBRN COc1ccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000086053414 553692854 /nfs/dbraw/zinc/69/28/54/553692854.db2.gz XAXMTCRQCXFDSX-HWBMXIPRSA-N 0 0 519.510 3.667 40 5 KHBBRN CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000095117305 553700439 /nfs/dbraw/zinc/70/04/39/553700439.db2.gz QGOYNBASARWRCT-UHFFFAOYSA-N 0 0 504.956 3.529 40 5 KHBBRN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000096021943 553718402 /nfs/dbraw/zinc/71/84/02/553718402.db2.gz CXCTVEOALLFGIK-OJEAVSNDSA-N 0 0 504.351 3.623 40 5 KHBBRN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000096021944 553718405 /nfs/dbraw/zinc/71/84/05/553718405.db2.gz CXCTVEOALLFGIK-KFVRLDSISA-N 0 0 504.351 3.623 40 5 KHBBRN Cn1cc(-c2cc(C(F)(F)F)nc(N3CCN(C(=O)c4nn(C56CC7CC(CC(C7)C5)C6)cc4[N+](=O)[O-])CC3)n2)cn1 ZINC000097948606 553795205 /nfs/dbraw/zinc/79/52/05/553795205.db2.gz HQVQXUWFCPLILK-UHFFFAOYSA-N 0 0 585.591 3.888 40 5 KHBBRN CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000097966002 553906465 /nfs/dbraw/zinc/90/64/65/553906465.db2.gz LRLOQHVQGIWNSJ-UHFFFAOYSA-N 0 0 523.600 3.991 40 5 KHBBRN COC(=O)C(C(=O)OC)c1cc(CCN2CCN(c3nsc4ccccc43)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000097978475 1066883550 /nfs/dbraw/zinc/88/35/50/1066883550.db2.gz RJDGYKWERUPPEI-UHFFFAOYSA-N 0 0 533.006 3.652 40 5 KHBBRN COc1ccc(C(Nc2nc3c(nc([N+](=O)[O-])n3[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)c(=O)[nH]2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000097978600 1066883444 /nfs/dbraw/zinc/88/34/44/1066883444.db2.gz NUZLZVNJVYBEJC-UTBAFCPYSA-N 0 0 756.725 3.773 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000100086986 554209203 /nfs/dbraw/zinc/20/92/03/554209203.db2.gz AAQJXVYBWKGNRC-CRCYZHLCSA-N 0 0 605.625 3.992 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000100086990 554209200 /nfs/dbraw/zinc/20/92/00/554209200.db2.gz AAQJXVYBWKGNRC-FQKMCRJQSA-N 0 0 605.625 3.992 40 5 KHBBRN Cc1c(NC[C@@H](C)O)c([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000100140484 554227580 /nfs/dbraw/zinc/22/75/80/554227580.db2.gz JIIQRXOSGXAWLQ-GFCCVEGCSA-N 0 0 528.444 3.858 40 5 KHBBRN Cc1c(NC[C@H](C)O)c([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000100140488 554227531 /nfs/dbraw/zinc/22/75/31/554227531.db2.gz JIIQRXOSGXAWLQ-LBPRGKRZSA-N 0 0 528.444 3.858 40 5 KHBBRN CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)c21 ZINC000100166681 554236796 /nfs/dbraw/zinc/23/67/96/554236796.db2.gz OGELDNXLUYOAMD-UHFFFAOYSA-N 0 0 577.379 3.796 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000100185738 554242797 /nfs/dbraw/zinc/24/27/97/554242797.db2.gz IQMXQFIMVJRLGF-CRCYZHLCSA-N 0 0 605.625 3.992 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000100185746 554242793 /nfs/dbraw/zinc/24/27/93/554242793.db2.gz IQMXQFIMVJRLGF-FQKMCRJQSA-N 0 0 605.625 3.992 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000100185826 554242781 /nfs/dbraw/zinc/24/27/81/554242781.db2.gz PDXHMZNKQJIWIY-CRCYZHLCSA-N 0 0 605.625 3.992 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000100185829 554242727 /nfs/dbraw/zinc/24/27/27/554242727.db2.gz PDXHMZNKQJIWIY-FQKMCRJQSA-N 0 0 605.625 3.992 40 5 KHBBRN CCOc1cc(/C=C2\SC(=N)NC2=O)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000100229492 554255072 /nfs/dbraw/zinc/25/50/72/554255072.db2.gz BLZOAKMHXNRCQD-DHDCSXOGSA-N 0 0 575.362 3.504 40 5 KHBBRN COc1ccccc1NC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)Nc2ccccc2OC)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000100234372 554258082 /nfs/dbraw/zinc/25/80/82/554258082.db2.gz YSOFFXWYXZHJPG-QNVWVOQGSA-N 0 0 547.564 3.929 40 5 KHBBRN COc1ccccc1NC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)Nc2ccccc2OC)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000100234377 554258015 /nfs/dbraw/zinc/25/80/15/554258015.db2.gz YSOFFXWYXZHJPG-QPPCPWFDSA-N 0 0 547.564 3.929 40 5 KHBBRN COc1ccccc1NC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)Nc2ccccc2OC)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000100234380 554258023 /nfs/dbraw/zinc/25/80/23/554258023.db2.gz YSOFFXWYXZHJPG-OSSDZZHWSA-N 0 0 547.564 3.929 40 5 KHBBRN COc1ccccc1NC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)Nc2ccccc2OC)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000100234385 554258010 /nfs/dbraw/zinc/25/80/10/554258010.db2.gz YSOFFXWYXZHJPG-YIPGRGJBSA-N 0 0 547.564 3.929 40 5 KHBBRN O=[N+]([O-])c1ccc(N2CCN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1N1CCOCC1 ZINC000100236089 554258292 /nfs/dbraw/zinc/25/82/92/554258292.db2.gz XWEMCXWNCIFTIV-UHFFFAOYSA-N 0 0 526.428 3.593 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000100304516 554292770 /nfs/dbraw/zinc/29/27/70/554292770.db2.gz JVCMAPOBKNOQRR-XSZPGNIMSA-N 0 0 545.573 3.975 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000100304519 554292722 /nfs/dbraw/zinc/29/27/22/554292722.db2.gz JVCMAPOBKNOQRR-XXMKCSCWSA-N 0 0 545.573 3.975 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000100307408 554295826 /nfs/dbraw/zinc/29/58/26/554295826.db2.gz DHVBAFKHAHDECQ-KMBIYUNPSA-N 0 0 575.599 3.984 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000100307413 554295821 /nfs/dbraw/zinc/29/58/21/554295821.db2.gz DHVBAFKHAHDECQ-GVMLUORFSA-N 0 0 575.599 3.984 40 5 KHBBRN Cc1cccc2cc([C@@H](c3nnnn3CCc3ccccc3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c12 ZINC000100342171 554327002 /nfs/dbraw/zinc/32/70/02/554327002.db2.gz QGDBUJKZOHFEFX-NDEPHWFRSA-N 0 0 550.623 3.886 40 5 KHBBRN Cc1cccc2cc([C@H](c3nnnn3CCc3ccccc3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c12 ZINC000100342174 554326986 /nfs/dbraw/zinc/32/69/86/554326986.db2.gz QGDBUJKZOHFEFX-MUUNZHRXSA-N 0 0 550.623 3.886 40 5 KHBBRN COc1ccc2cc([C@@H](c3nnnn3CCc3ccccc3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1 ZINC000100342383 554327222 /nfs/dbraw/zinc/32/72/22/554327222.db2.gz QFOISDOOTNTVNM-NDEPHWFRSA-N 0 0 566.622 3.586 40 5 KHBBRN COc1ccc2cc([C@H](c3nnnn3CCc3ccccc3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1 ZINC000100342386 554327281 /nfs/dbraw/zinc/32/72/81/554327281.db2.gz QFOISDOOTNTVNM-MUUNZHRXSA-N 0 0 566.622 3.586 40 5 KHBBRN COC(=O)COc1c(I)cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OC ZINC000100342588 554327477 /nfs/dbraw/zinc/32/74/77/554327477.db2.gz LEKVERNIQVEHHE-RQZCQDPDSA-N 0 0 584.344 3.996 40 5 KHBBRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000100354095 554333372 /nfs/dbraw/zinc/33/33/72/554333372.db2.gz GAHXCSFCUBOAHC-LJAQVGFWSA-N 0 0 580.649 3.976 40 5 KHBBRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000100354101 554333364 /nfs/dbraw/zinc/33/33/64/554333364.db2.gz GAHXCSFCUBOAHC-GDLZYMKVSA-N 0 0 580.649 3.976 40 5 KHBBRN Cc1cc2cc([C@@H](c3nnnn3Cc3ccco3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2cc1C ZINC000100354711 554334301 /nfs/dbraw/zinc/33/43/01/554334301.db2.gz KNFYBPAXGHXZFR-SANMLTNESA-N 0 0 540.584 3.593 40 5 KHBBRN Cc1cc2cc([C@H](c3nnnn3Cc3ccco3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2cc1C ZINC000100354714 554334350 /nfs/dbraw/zinc/33/43/50/554334350.db2.gz KNFYBPAXGHXZFR-AREMUKBSSA-N 0 0 540.584 3.593 40 5 KHBBRN Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccco3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc12 ZINC000100354795 554334197 /nfs/dbraw/zinc/33/41/97/554334197.db2.gz REQAFXTVPIPTAR-SANMLTNESA-N 0 0 540.584 3.593 40 5 KHBBRN Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccco3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc12 ZINC000100354799 554334258 /nfs/dbraw/zinc/33/42/58/554334258.db2.gz REQAFXTVPIPTAR-AREMUKBSSA-N 0 0 540.584 3.593 40 5 KHBBRN COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000100354885 554334240 /nfs/dbraw/zinc/33/42/40/554334240.db2.gz XAEIKQYSTUFFGB-NDEPHWFRSA-N 0 0 566.622 3.586 40 5 KHBBRN COc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000100354888 554334216 /nfs/dbraw/zinc/33/42/16/554334216.db2.gz XAEIKQYSTUFFGB-MUUNZHRXSA-N 0 0 566.622 3.586 40 5 KHBBRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccco3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000100355201 554335047 /nfs/dbraw/zinc/33/50/47/554335047.db2.gz HMGRRVUZEIKPJM-SANMLTNESA-N 0 0 540.584 3.538 40 5 KHBBRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccco3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000100355204 554334985 /nfs/dbraw/zinc/33/49/85/554334985.db2.gz HMGRRVUZEIKPJM-AREMUKBSSA-N 0 0 540.584 3.538 40 5 KHBBRN Cc1cc(C)c2cc([C@@H](c3nnnn3Cc3ccco3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1 ZINC000100355264 554335088 /nfs/dbraw/zinc/33/50/88/554335088.db2.gz BZQOVUXRMZHQTR-SANMLTNESA-N 0 0 540.584 3.593 40 5 KHBBRN Cc1cc(C)c2cc([C@H](c3nnnn3Cc3ccco3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1 ZINC000100355266 554334991 /nfs/dbraw/zinc/33/49/91/554334991.db2.gz BZQOVUXRMZHQTR-AREMUKBSSA-N 0 0 540.584 3.593 40 5 KHBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(SCCO)c([N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000100370130 193905681 /nfs/dbraw/zinc/90/56/81/193905681.db2.gz 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541.572 3.776 40 5 KHBBRN O=c1[nH]c2c(s1)[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]1S2 ZINC000100804173 554474560 /nfs/dbraw/zinc/47/45/60/554474560.db2.gz SKOIOUSSWIJRGM-LZWOXQAQSA-N 0 0 518.370 3.903 40 5 KHBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000100870480 554498237 /nfs/dbraw/zinc/49/82/37/554498237.db2.gz ODHDEQIFSCTEKQ-ZMIGGIFCSA-N 0 0 526.574 3.791 40 5 KHBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000100870481 554498204 /nfs/dbraw/zinc/49/82/04/554498204.db2.gz ODHDEQIFSCTEKQ-OWXSRONMSA-N 0 0 526.574 3.791 40 5 KHBBRN COC(=O)C1=C(C(=O)OC)[C@@H](c2cc([N+](=O)[O-])ccc2OCc2ccc(F)cc2)c2sc(=O)[nH]c2S1 ZINC000100921990 554521712 /nfs/dbraw/zinc/52/17/12/554521712.db2.gz OAEHQKCPOVZEHA-MRXNPFEDSA-N 0 0 532.527 3.900 40 5 KHBBRN COC(=O)C1=C(C(=O)OC)[C@H](c2cc([N+](=O)[O-])ccc2OCc2ccc(F)cc2)c2sc(=O)[nH]c2S1 ZINC000100921993 554521730 /nfs/dbraw/zinc/52/17/30/554521730.db2.gz OAEHQKCPOVZEHA-INIZCTEOSA-N 0 0 532.527 3.900 40 5 KHBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc6c(cc5[N+](=O)[O-])OCO6)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000100946936 554535146 /nfs/dbraw/zinc/53/51/46/554535146.db2.gz BPWDCQMYUXCZAM-ZCWBPALNSA-N 0 0 569.595 3.973 40 5 KHBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc6c(cc5[N+](=O)[O-])OCO6)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000100946939 554535226 /nfs/dbraw/zinc/53/52/26/554535226.db2.gz BPWDCQMYUXCZAM-INJWXVQMSA-N 0 0 569.595 3.973 40 5 KHBBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(=O)/c(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)sc2=N1 ZINC000100954100 554538311 /nfs/dbraw/zinc/53/83/11/554538311.db2.gz GFZQDHRZRJFLKY-OXWVMCNISA-N 0 0 599.644 3.758 40 5 KHBBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(=O)/c(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)sc2=N1 ZINC000100954102 554538381 /nfs/dbraw/zinc/53/83/81/554538381.db2.gz GFZQDHRZRJFLKY-FHMSYZJOSA-N 0 0 599.644 3.758 40 5 KHBBRN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1ccccc1I ZINC000100957924 554540889 /nfs/dbraw/zinc/54/08/89/554540889.db2.gz MMNGTTJMMSCCDA-UHFFFAOYSA-N 0 0 530.775 3.690 40 5 KHBBRN COc1cc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000101127501 554646088 /nfs/dbraw/zinc/64/60/88/554646088.db2.gz UYWITWSRZWNZHO-VJBWXMMDSA-N 0 0 520.454 3.571 40 5 KHBBRN COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000101127508 554646085 /nfs/dbraw/zinc/64/60/85/554646085.db2.gz UYWITWSRZWNZHO-VABKMULXSA-N 0 0 520.454 3.571 40 5 KHBBRN CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(O)c(OC)c4)N(c4cccc([N+](=O)[O-])c4)O[C@@H]3C2=O)cc1 ZINC000101149300 554657083 /nfs/dbraw/zinc/65/70/83/554657083.db2.gz PHDVXTXVVOLFOG-SGNDLWITSA-N 0 0 505.483 3.759 40 5 KHBBRN CCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4cccc([N+](=O)[O-])c4)[C@@H]3c3ccc(O)c(OC)c3)C2=O)cc1 ZINC000101149306 554657088 /nfs/dbraw/zinc/65/70/88/554657088.db2.gz PHDVXTXVVOLFOG-SMIHKQSGSA-N 0 0 505.483 3.759 40 5 KHBBRN COc1cc(OC)c([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000101149723 554657076 /nfs/dbraw/zinc/65/70/76/554657076.db2.gz AUPKVTVKRJZIBP-HJOGWXRNSA-N 0 0 505.483 3.672 40 5 KHBBRN COc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000101176746 554664548 /nfs/dbraw/zinc/66/45/48/554664548.db2.gz SFPMNOAHAFYWHT-HJOGWXRNSA-N 0 0 505.483 3.672 40 5 KHBBRN COc1ccc(N2C(=O)[C@@H]3[C@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000101177880 554665490 /nfs/dbraw/zinc/66/54/90/554665490.db2.gz CKHLVHHWCKKMNB-SGNDLWITSA-N 0 0 505.483 3.672 40 5 KHBBRN COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])[C@@H]3C2=O)cc1 ZINC000101177886 554665524 /nfs/dbraw/zinc/66/55/24/554665524.db2.gz CKHLVHHWCKKMNB-VXNXHJTFSA-N 0 0 505.483 3.672 40 5 KHBBRN COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc(OC)c1OC ZINC000101191298 554670557 /nfs/dbraw/zinc/67/05/57/554670557.db2.gz KKFMYAGUTRVVBW-FIXSFTCYSA-N 0 0 505.483 3.672 40 5 KHBBRN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1OC ZINC000101213830 554680526 /nfs/dbraw/zinc/68/05/26/554680526.db2.gz AETUJMQRCWKNQR-HFMPRLQTSA-N 0 0 505.483 3.672 40 5 KHBBRN COc1cccc(N2C(=O)[C@@H]3[C@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])N(c4ccccc4)O[C@@H]3C2=O)c1 ZINC000101215270 554681197 /nfs/dbraw/zinc/68/11/97/554681197.db2.gz IYPKSYLBKIZAPC-SGNDLWITSA-N 0 0 505.483 3.672 40 5 KHBBRN COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])[C@@H]3C2=O)c1 ZINC000101215281 554681102 /nfs/dbraw/zinc/68/11/02/554681102.db2.gz IYPKSYLBKIZAPC-VXNXHJTFSA-N 0 0 505.483 3.672 40 5 KHBBRN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000101220436 554686377 /nfs/dbraw/zinc/68/63/77/554686377.db2.gz CCOCLNLUAJFZQB-DPLHUUCSSA-N 0 0 550.480 3.580 40 5 KHBBRN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000101220442 554686535 /nfs/dbraw/zinc/68/65/35/554686535.db2.gz CCOCLNLUAJFZQB-HFMPRLQTSA-N 0 0 550.480 3.580 40 5 KHBBRN CC1(C)[C@H](CC(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C(=O)NC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000101463183 554779547 /nfs/dbraw/zinc/77/95/47/554779547.db2.gz ATLWWNGFZXIMED-SCLBCKFNSA-N 0 0 544.615 3.882 40 5 KHBBRN CC1(C)[C@@H](CC(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C(=O)NC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000101463187 554779571 /nfs/dbraw/zinc/77/95/71/554779571.db2.gz ATLWWNGFZXIMED-FZKQIMNGSA-N 0 0 544.615 3.882 40 5 KHBBRN CC1(C)[C@H](C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)C[C@H]1CC(=O)NC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000101463188 554779465 /nfs/dbraw/zinc/77/94/65/554779465.db2.gz ATLWWNGFZXIMED-UGSOOPFHSA-N 0 0 544.615 3.882 40 5 KHBBRN CC1(C)[C@@H](CC(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)NC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000101463190 554779527 /nfs/dbraw/zinc/77/95/27/554779527.db2.gz ATLWWNGFZXIMED-ACJLOTCBSA-N 0 0 544.615 3.882 40 5 KHBBRN COc1ccc(NC(=S)NC(=O)C[C@@H]2C[C@H](C(=O)NC(=S)Nc3ccc(OC)cc3[N+](=O)[O-])C2(C)C)c([N+](=O)[O-])c1 ZINC000101463193 554779460 /nfs/dbraw/zinc/77/94/60/554779460.db2.gz MHFAUPWMPDTKKH-XJKSGUPXSA-N 0 0 604.667 3.899 40 5 KHBBRN COc1ccc(NC(=S)NC(=O)C[C@H]2C[C@H](C(=O)NC(=S)Nc3ccc(OC)cc3[N+](=O)[O-])C2(C)C)c([N+](=O)[O-])c1 ZINC000101463194 554779540 /nfs/dbraw/zinc/77/95/40/554779540.db2.gz MHFAUPWMPDTKKH-CZUORRHYSA-N 0 0 604.667 3.899 40 5 KHBBRN COc1ccc(NC(=S)NC(=O)C[C@@H]2C[C@@H](C(=O)NC(=S)Nc3ccc(OC)cc3[N+](=O)[O-])C2(C)C)c([N+](=O)[O-])c1 ZINC000101463195 554779505 /nfs/dbraw/zinc/77/95/05/554779505.db2.gz MHFAUPWMPDTKKH-BBRMVZONSA-N 0 0 604.667 3.899 40 5 KHBBRN COc1ccc(NC(=S)NC(=O)C[C@H]2C[C@@H](C(=O)NC(=S)Nc3ccc(OC)cc3[N+](=O)[O-])C2(C)C)c([N+](=O)[O-])c1 ZINC000101463196 554779469 /nfs/dbraw/zinc/77/94/69/554779469.db2.gz MHFAUPWMPDTKKH-CJNGLKHVSA-N 0 0 604.667 3.899 40 5 KHBBRN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1 ZINC000101589699 554801606 /nfs/dbraw/zinc/80/16/06/554801606.db2.gz VHVQTJYZTZFYLP-XPGKHFPBSA-N 0 0 523.501 3.793 40 5 KHBBRN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1 ZINC000101589703 554801649 /nfs/dbraw/zinc/80/16/49/554801649.db2.gz VHVQTJYZTZFYLP-FXSWLTOZSA-N 0 0 523.501 3.793 40 5 KHBBRN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1 ZINC000101589711 554801611 /nfs/dbraw/zinc/80/16/11/554801611.db2.gz VHVQTJYZTZFYLP-VEYUFSJPSA-N 0 0 523.501 3.793 40 5 KHBBRN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000101589994 554802259 /nfs/dbraw/zinc/80/22/59/554802259.db2.gz POLBNWSKKGGQQL-SSUZURRFSA-N 0 0 523.501 3.918 40 5 KHBBRN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000101589997 554802307 /nfs/dbraw/zinc/80/23/07/554802307.db2.gz POLBNWSKKGGQQL-QEGGNFSNSA-N 0 0 523.501 3.918 40 5 KHBBRN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=Cc4ccccc4N2[C@@H]3C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000101592330 554803115 /nfs/dbraw/zinc/80/31/15/554803115.db2.gz WXKOUNVIDBHIPP-QUMGSSFMSA-N 0 0 538.516 3.549 40 5 KHBBRN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)N2c4ccccc4C=C[C@@H]32)cc1 ZINC000101592333 554803124 /nfs/dbraw/zinc/80/31/24/554803124.db2.gz WXKOUNVIDBHIPP-SSUZURRFSA-N 0 0 538.516 3.549 40 5 KHBBRN CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4C=Cc5ccccc5N4[C@H](C(=O)Nc4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1 ZINC000101592339 554803092 /nfs/dbraw/zinc/80/30/92/554803092.db2.gz WXKOUNVIDBHIPP-ZJSPYRCASA-N 0 0 538.516 3.549 40 5 KHBBRN CC(=O)Oc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccc([N+](=O)[O-])cc4)N4C=Cc5ccccc5[C@@H]34)C2O)cc1 ZINC000101592911 554803138 /nfs/dbraw/zinc/80/31/38/554803138.db2.gz MSZFORVZHXBJDY-XPGKHFPBSA-N 0 0 523.501 3.918 40 5 KHBBRN CC(=O)Oc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccc([N+](=O)[O-])cc4)N4C=Cc5ccccc5[C@H]34)C2O)cc1 ZINC000101592920 554803351 /nfs/dbraw/zinc/80/33/51/554803351.db2.gz MSZFORVZHXBJDY-POTDNYQPSA-N 0 0 523.501 3.918 40 5 KHBBRN CC(=O)Oc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4cccc([N+](=O)[O-])c4)N4C=Cc5ccccc5[C@@H]34)C2O)cc1 ZINC000101592928 554803331 /nfs/dbraw/zinc/80/33/31/554803331.db2.gz VZSIHNPOKJBQQL-XPGKHFPBSA-N 0 0 523.501 3.918 40 5 KHBBRN CC(=O)Oc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4cccc([N+](=O)[O-])c4)N4C=Cc5ccccc5[C@H]34)C2O)cc1 ZINC000101592937 554803343 /nfs/dbraw/zinc/80/33/43/554803343.db2.gz VZSIHNPOKJBQQL-POTDNYQPSA-N 0 0 523.501 3.918 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[nH]c(=O)c21 ZINC000102356330 554915073 /nfs/dbraw/zinc/91/50/73/554915073.db2.gz CGHKHUVBSLUGMN-CYBMUJFWSA-N 0 0 519.301 3.802 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[nH]c(=O)c21 ZINC000102356331 554915079 /nfs/dbraw/zinc/91/50/79/554915079.db2.gz CGHKHUVBSLUGMN-ZDUSSCGKSA-N 0 0 519.301 3.802 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[nH]c(=O)c21 ZINC000102356450 554915449 /nfs/dbraw/zinc/91/54/49/554915449.db2.gz YLCHGSCDDXUHGC-LLVKDONJSA-N 0 0 519.301 3.802 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[nH]c(=O)c21 ZINC000102356452 554915456 /nfs/dbraw/zinc/91/54/56/554915456.db2.gz YLCHGSCDDXUHGC-NSHDSACASA-N 0 0 519.301 3.802 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[nH]c(=O)c21 ZINC000102356895 554915691 /nfs/dbraw/zinc/91/56/91/554915691.db2.gz HJEIPXLPQVTZRW-CYBMUJFWSA-N 0 0 518.408 3.514 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[nH]c(=O)c21 ZINC000102356899 554915789 /nfs/dbraw/zinc/91/57/89/554915789.db2.gz HJEIPXLPQVTZRW-ZDUSSCGKSA-N 0 0 518.408 3.514 40 5 KHBBRN CCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[nH]c(=O)c21 ZINC000102356937 554915641 /nfs/dbraw/zinc/91/56/41/554915641.db2.gz XQRJSRVAPXETLL-CQSZACIVSA-N 0 0 532.435 3.904 40 5 KHBBRN CCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[nH]c(=O)c21 ZINC000102356939 554915783 /nfs/dbraw/zinc/91/57/83/554915783.db2.gz XQRJSRVAPXETLL-AWEZNQCLSA-N 0 0 532.435 3.904 40 5 KHBBRN O=c1[nH]c2c(s1)[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]1S2 ZINC000102411081 554923598 /nfs/dbraw/zinc/92/35/98/554923598.db2.gz SKOIOUSSWIJRGM-YCPHGPKFSA-N 0 0 518.370 3.903 40 5 KHBBRN CCOC(=O)C1=C(C)C2[C@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]12 ZINC000102435448 554927794 /nfs/dbraw/zinc/92/77/94/554927794.db2.gz IJLFQOBZQZOIQU-RCSCAUKDSA-N 0 0 616.583 3.561 40 5 KHBBRN CCOC(=O)C1=C(C)C2[C@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]12 ZINC000102435454 554927822 /nfs/dbraw/zinc/92/78/22/554927822.db2.gz IJLFQOBZQZOIQU-LQBKEJDGSA-N 0 0 616.583 3.561 40 5 KHBBRN CCOC(=O)C1=C(C)C2[C@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@H]3C1(C)[C@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]12 ZINC000102435456 554927827 /nfs/dbraw/zinc/92/78/27/554927827.db2.gz IJLFQOBZQZOIQU-YOFWZTOFSA-N 0 0 616.583 3.561 40 5 KHBBRN CCOC(=O)C1=C(C)C2[C@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@@H]3C1(C)[C@@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]12 ZINC000102435458 554927771 /nfs/dbraw/zinc/92/77/71/554927771.db2.gz IJLFQOBZQZOIQU-QDOUPJLISA-N 0 0 616.583 3.561 40 5 KHBBRN O=c1oc2cc(S(=O)(=O)NCc3ccccc3)ccc2c2ccc(S(=O)(=O)NCc3ccccc3)cc21 ZINC000102613538 1066885258 /nfs/dbraw/zinc/88/52/58/1066885258.db2.gz PPVKQZLZPFEHTG-UHFFFAOYSA-N 0 0 534.615 3.903 40 5 KHBBRN O=[N+]([O-])c1cc(S(=O)(=O)NCCCCCCNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl ZINC000102629089 554988998 /nfs/dbraw/zinc/98/89/98/554988998.db2.gz AWCVJJDYXTTXMW-UHFFFAOYSA-N 0 0 555.418 3.627 40 5 KHBBRN O=c1[nH]c2c(s1)[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]1S2 ZINC000102707469 555015322 /nfs/dbraw/zinc/01/53/22/555015322.db2.gz LFODMOSKFXPBHF-YCPHGPKFSA-N 0 0 518.370 3.903 40 5 KHBBRN COc1cc(OC)c([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OC ZINC000102753249 555045434 /nfs/dbraw/zinc/04/54/34/555045434.db2.gz AUPKVTVKRJZIBP-TZRRMPRUSA-N 0 0 505.483 3.672 40 5 KHBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N/C(=O)c1ccc(OC)cc1 ZINC000102755897 555048607 /nfs/dbraw/zinc/04/86/07/555048607.db2.gz ASMSAWPVDSNIHJ-GKPLWNPISA-N 0 0 532.597 3.699 40 5 KHBBRN COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000102758664 555050679 /nfs/dbraw/zinc/05/06/79/555050679.db2.gz SFPMNOAHAFYWHT-TZRRMPRUSA-N 0 0 505.483 3.672 40 5 KHBBRN COc1cc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc(OC)c1OC ZINC000102760264 555052204 /nfs/dbraw/zinc/05/22/04/555052204.db2.gz KKFMYAGUTRVVBW-AOHZBQACSA-N 0 0 505.483 3.672 40 5 KHBBRN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)c(OC)c1OC ZINC000102762548 555053382 /nfs/dbraw/zinc/05/33/82/555053382.db2.gz AETUJMQRCWKNQR-AWRGLXIESA-N 0 0 505.483 3.672 40 5 KHBBRN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)c(OC)c1OC ZINC000102762555 555053230 /nfs/dbraw/zinc/05/32/30/555053230.db2.gz AETUJMQRCWKNQR-ZFGGDYGUSA-N 0 0 505.483 3.672 40 5 KHBBRN COc1ccc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000102768451 555056049 /nfs/dbraw/zinc/05/60/49/555056049.db2.gz XAXMTCRQCXFDSX-OTNCWRBYSA-N 0 0 519.510 3.667 40 5 KHBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N/C(=O)c1ccccc1 ZINC000102918719 555144537 /nfs/dbraw/zinc/14/45/37/555144537.db2.gz YSDMFAUILWSZLL-QCWLDUFUSA-N 0 0 502.571 3.691 40 5 KHBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N/C(=O)c1ccc(C)cc1 ZINC000102918746 555144545 /nfs/dbraw/zinc/14/45/45/555144545.db2.gz PLKLMYBOHJNARY-GKPLWNPISA-N 0 0 516.598 3.999 40 5 KHBBRN CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)/c1=N\C(=O)c1ccc(C)cc1 ZINC000102918751 555144565 /nfs/dbraw/zinc/14/45/65/555144565.db2.gz SMWHUEPJLQABDC-QCWLDUFUSA-N 0 0 502.571 3.610 40 5 KHBBRN CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)/c1=N\C(=O)c1cccc(C)c1 ZINC000102918793 555144549 /nfs/dbraw/zinc/14/45/49/555144549.db2.gz QOWYATVTCKXZRB-QCWLDUFUSA-N 0 0 502.571 3.610 40 5 KHBBRN CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)/c1=N\C(=O)c1ccc(Cl)cc1 ZINC000102918891 555144581 /nfs/dbraw/zinc/14/45/81/555144581.db2.gz ZIMZWZVBFMHKIW-BGABXYSRSA-N 0 0 522.989 3.955 40 5 KHBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N/C(=O)c1ccc(F)cc1 ZINC000102919024 555144583 /nfs/dbraw/zinc/14/45/83/555144583.db2.gz JFXBCTGYKDNGKT-QCKNELIISA-N 0 0 520.561 3.830 40 5 KHBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N/C(=O)c1ccccc1F ZINC000102919061 555144908 /nfs/dbraw/zinc/14/49/08/555144908.db2.gz KZNXYDIWQAPEHW-QCKNELIISA-N 0 0 520.561 3.830 40 5 KHBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N/C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000102919114 555144901 /nfs/dbraw/zinc/14/49/01/555144901.db2.gz FLUVQGSQTNNOLY-QCWLDUFUSA-N 0 0 547.568 3.599 40 5 KHBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N/C(=O)c1cccc([N+](=O)[O-])c1 ZINC000102919204 555144843 /nfs/dbraw/zinc/14/48/43/555144843.db2.gz AAKLVGOMOYPLJI-QCWLDUFUSA-N 0 0 547.568 3.599 40 5 KHBBRN CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)/c1=N\C(=O)c1ccc(C)c(C)c1 ZINC000102919293 555144806 /nfs/dbraw/zinc/14/48/06/555144806.db2.gz HYICCDUBBFXCCE-GKPLWNPISA-N 0 0 516.598 3.919 40 5 KHBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N/C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000102919430 555145044 /nfs/dbraw/zinc/14/50/44/555145044.db2.gz SSKGFDIKJWTFEZ-PJJLUWSFSA-N 0 0 592.649 3.716 40 5 KHBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N/C(=O)c1cc(OC)cc(OC)c1 ZINC000102919491 555144984 /nfs/dbraw/zinc/14/49/84/555144984.db2.gz SOZJBOMKPYVJPN-QVAGMWBUSA-N 0 0 562.623 3.708 40 5 KHBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N/C(=O)c1cccc(OC)c1 ZINC000102919573 555145041 /nfs/dbraw/zinc/14/50/41/555145041.db2.gz IZDNDQYRPCXKMT-GKPLWNPISA-N 0 0 532.597 3.699 40 5 KHBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N/C(=O)c1ccc(OC)c(OC)c1 ZINC000102919636 555145209 /nfs/dbraw/zinc/14/52/09/555145209.db2.gz FWSBLNVRPBOMRE-QVAGMWBUSA-N 0 0 562.623 3.708 40 5 KHBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000102919680 555145309 /nfs/dbraw/zinc/14/53/09/555145309.db2.gz VLPXQBRKHTWWKA-WEMUOSSPSA-N 0 0 503.515 3.673 40 5 KHBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N/C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000102919699 555145284 /nfs/dbraw/zinc/14/52/84/555145284.db2.gz KQFBKOXOTZWREU-GKPLWNPISA-N 0 0 561.595 3.907 40 5 KHBBRN CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)/c1=N\C(=O)c1ccc(OCC)cc1 ZINC000102919751 555145306 /nfs/dbraw/zinc/14/53/06/555145306.db2.gz CVLGIOLNEKAMTO-GKPLWNPISA-N 0 0 532.597 3.701 40 5 KHBBRN CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)/c1=N\C(=O)/C=C/c1ccccc1 ZINC000102920058 555145230 /nfs/dbraw/zinc/14/52/30/555145230.db2.gz CXWYBHQTPABWTA-QRMNOWMPSA-N 0 0 514.582 3.702 40 5 KHBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N/C(=O)c1cccc(F)c1 ZINC000102920101 555145299 /nfs/dbraw/zinc/14/52/99/555145299.db2.gz AZHHVDPXFMUFTB-QCKNELIISA-N 0 0 520.561 3.830 40 5 KHBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N/C(=O)c1c(F)cccc1F ZINC000102920210 555145312 /nfs/dbraw/zinc/14/53/12/555145312.db2.gz ZJYHZVRDWFPSPW-WGPBWIAQSA-N 0 0 538.551 3.969 40 5 KHBBRN CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)/c1=N\C(=O)c1c(F)cccc1F ZINC000102920211 555145261 /nfs/dbraw/zinc/14/52/61/555145261.db2.gz QFCBMMRGWZCVAN-QFMPWRQOSA-N 0 0 524.524 3.580 40 5 KHBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)/c1=N/C(=O)c1ccc(C)cc1 ZINC000102920413 555145417 /nfs/dbraw/zinc/14/54/17/555145417.db2.gz KONIHWGRUPSVAE-QCWLDUFUSA-N 0 0 502.571 3.691 40 5 KHBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)/c1=N/C(=O)c1cccc(C)c1 ZINC000102920420 555145704 /nfs/dbraw/zinc/14/57/04/555145704.db2.gz YCBKIITYWAVIRY-QCWLDUFUSA-N 0 0 502.571 3.691 40 5 KHBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)/c1=N/C(=O)c1ccccc1F ZINC000102920479 555145670 /nfs/dbraw/zinc/14/56/70/555145670.db2.gz HKJZGUASDGSIDN-BGABXYSRSA-N 0 0 506.534 3.521 40 5 KHBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)/c1=N/C(=O)c1cc(C)cc(C)c1 ZINC000102920580 555145674 /nfs/dbraw/zinc/14/56/74/555145674.db2.gz ONMXQXZITVOTAF-GKPLWNPISA-N 0 0 516.598 3.999 40 5 KHBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)/c1=N/C(=O)c1c(F)cccc1F ZINC000102920759 555146095 /nfs/dbraw/zinc/14/60/95/555146095.db2.gz AUGNRMVIKLOIMZ-QFMPWRQOSA-N 0 0 524.524 3.660 40 5 KHBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1ccc(Br)cc1 ZINC000102920967 555146307 /nfs/dbraw/zinc/14/63/07/555146307.db2.gz BEBHLXVEQFLDHK-SZXQPVLSSA-N 0 0 509.360 3.910 40 5 KHBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000102921342 555146737 /nfs/dbraw/zinc/14/67/37/555146737.db2.gz XJBGKJKMJSSOFY-RMLRFSFXSA-N 0 0 515.526 3.980 40 5 KHBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1cccc([N+](=O)[O-])c1 ZINC000102921346 555146750 /nfs/dbraw/zinc/14/67/50/555146750.db2.gz HGSYBGLELCZMQW-RMLRFSFXSA-N 0 0 515.526 3.980 40 5 KHBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1ccc2c(c1)OCO2 ZINC000102921392 555146741 /nfs/dbraw/zinc/14/67/41/555146741.db2.gz JQCJXYDZOWYPCH-QCWLDUFUSA-N 0 0 514.538 3.801 40 5 KHBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1cccc(Br)c1 ZINC000103001060 555201012 /nfs/dbraw/zinc/20/10/12/555201012.db2.gz SPOKOMMBDIBXQV-SZXQPVLSSA-N 0 0 509.360 3.910 40 5 KHBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)/c1=N/C(=O)/C=C\c1ccccc1 ZINC000103158874 555320078 /nfs/dbraw/zinc/32/00/78/555320078.db2.gz LVNYHLIUCOYDDQ-MYEAWCFYSA-N 0 0 514.582 3.782 40 5 KHBBRN COc1ccccc1NC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)Nc2ccccc2OC)C(=O)C[C@]1(C)O ZINC000103161431 555321141 /nfs/dbraw/zinc/32/11/41/555321141.db2.gz YSOFFXWYXZHJPG-JMDODURXSA-N 0 0 547.564 3.929 40 5 KHBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N(CC)CC)c(=O)n2[C@H]1c1ccccc1OC ZINC000103405114 555391239 /nfs/dbraw/zinc/39/12/39/555391239.db2.gz IQGXDCQKEDLIJA-WHNPURCTSA-N 0 0 577.707 3.867 40 5 KHBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N(CC)CC)c(=O)n2[C@@H]1c1ccccc1OC ZINC000103405115 555391222 /nfs/dbraw/zinc/39/12/22/555391222.db2.gz IQGXDCQKEDLIJA-HPFVHPJRSA-N 0 0 577.707 3.867 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000103447163 555420514 /nfs/dbraw/zinc/42/05/14/555420514.db2.gz UMIQZKOIVOWWMV-KMBIYUNPSA-N 0 0 575.599 3.984 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000103447166 555420524 /nfs/dbraw/zinc/42/05/24/555420524.db2.gz UMIQZKOIVOWWMV-GVMLUORFSA-N 0 0 575.599 3.984 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000103447400 555420503 /nfs/dbraw/zinc/42/05/03/555420503.db2.gz ODYFSOOJYLSSHJ-LNXFQTKESA-N 0 0 589.582 3.704 40 5 KHBBRN COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)N2c4ccccc4C=C[C@@H]32)cc1 ZINC000103521621 555426533 /nfs/dbraw/zinc/42/65/33/555426533.db2.gz NWGOBZXOXZNIAE-JBXUNAHCSA-N 0 0 510.506 3.632 40 5 KHBBRN COc1ccc(N2C(=O)[C@H]3[C@H]4C=Cc5ccccc5N4[C@H](C(=O)Nc4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1 ZINC000103521624 555426586 /nfs/dbraw/zinc/42/65/86/555426586.db2.gz NWGOBZXOXZNIAE-RCTAOEEJSA-N 0 0 510.506 3.632 40 5 KHBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000103527232 555429029 /nfs/dbraw/zinc/42/90/29/555429029.db2.gz XBBLUHKTJHXSSM-KIHHCIJBSA-N 0 0 525.477 3.532 40 5 KHBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000103527239 555429021 /nfs/dbraw/zinc/42/90/21/555429021.db2.gz XBBLUHKTJHXSSM-LWSSLDFYSA-N 0 0 525.477 3.532 40 5 KHBBRN CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc([N+](=O)[O-])cc4)N4c5ccccc5C=C[C@H]4[C@H]3C2=O)cc1 ZINC000103533363 555433725 /nfs/dbraw/zinc/43/37/25/555433725.db2.gz OWMGTNRCWZOTTD-QUMGSSFMSA-N 0 0 522.517 3.826 40 5 KHBBRN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)N2c4ccccc4C=C[C@@H]32)cc1 ZINC000103533368 555433736 /nfs/dbraw/zinc/43/37/36/555433736.db2.gz OWMGTNRCWZOTTD-SSUZURRFSA-N 0 0 522.517 3.826 40 5 KHBBRN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=Cc4ccccc4N2[C@@H]3C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000103533377 555433735 /nfs/dbraw/zinc/43/37/35/555433735.db2.gz OWMGTNRCWZOTTD-POTDNYQPSA-N 0 0 522.517 3.826 40 5 KHBBRN CC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=Cc5ccccc5N4[C@H](C(=O)Nc4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1 ZINC000103533383 555433724 /nfs/dbraw/zinc/43/37/24/555433724.db2.gz OWMGTNRCWZOTTD-ZJSPYRCASA-N 0 0 522.517 3.826 40 5 KHBBRN O=C(C1=C2C(O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12)c1cccc([N+](=O)[O-])c1 ZINC000103533796 555434013 /nfs/dbraw/zinc/43/40/13/555434013.db2.gz KHYVHZYUPFJALG-ASDGIDEWSA-N 0 0 523.501 3.764 40 5 KHBBRN O=C(C1=C2C(O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12)c1cccc([N+](=O)[O-])c1 ZINC000103533802 555434009 /nfs/dbraw/zinc/43/40/09/555434009.db2.gz KHYVHZYUPFJALG-QEGGNFSNSA-N 0 0 523.501 3.764 40 5 KHBBRN COC(=O)c1ccccc1N1C(=O)[C@@H]2C(=C(C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]23)C1O ZINC000103536709 555436226 /nfs/dbraw/zinc/43/62/26/555436226.db2.gz ZZKKLEDVRBESCF-NGSHPTGOSA-N 0 0 523.501 3.780 40 5 KHBBRN COC(=O)c1ccccc1N1C(=O)[C@@H]2C(=C(C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@H]23)C1O ZINC000103536718 555436396 /nfs/dbraw/zinc/43/63/96/555436396.db2.gz ZZKKLEDVRBESCF-VPBXCIAMSA-N 0 0 523.501 3.780 40 5 KHBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000103537859 555436568 /nfs/dbraw/zinc/43/65/68/555436568.db2.gz VTSOLZUPSZLHME-KIHHCIJBSA-N 0 0 525.477 3.532 40 5 KHBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000103537862 555436590 /nfs/dbraw/zinc/43/65/90/555436590.db2.gz VTSOLZUPSZLHME-LWSSLDFYSA-N 0 0 525.477 3.532 40 5 KHBBRN O=C(C1=C2C(O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12)c1ccc([N+](=O)[O-])cc1 ZINC000103548313 555442005 /nfs/dbraw/zinc/44/20/05/555442005.db2.gz QORYLBNGQRYMJI-ASDGIDEWSA-N 0 0 523.501 3.764 40 5 KHBBRN O=C(C1=C2C(O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12)c1ccc([N+](=O)[O-])cc1 ZINC000103548317 555442021 /nfs/dbraw/zinc/44/20/21/555442021.db2.gz QORYLBNGQRYMJI-QEGGNFSNSA-N 0 0 523.501 3.764 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@@H]1c1ccccc1 ZINC000103603131 555454693 /nfs/dbraw/zinc/45/46/93/555454693.db2.gz HZFOTQGPXHRSAI-JRXNCPAPSA-N 0 0 589.655 3.662 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@H]1c1ccccc1 ZINC000103603134 555454591 /nfs/dbraw/zinc/45/45/91/555454591.db2.gz HZFOTQGPXHRSAI-ZBXXMNEPSA-N 0 0 589.655 3.662 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccs1 ZINC000103603296 555454627 /nfs/dbraw/zinc/45/46/27/555454627.db2.gz VDQLRQKXEKQHEG-GSERBOKHSA-N 0 0 595.684 3.723 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccs1 ZINC000103603300 555454541 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COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=Cc4ccccc4N2[C@@H]3C(=O)Nc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000104103809 571373967 /nfs/dbraw/zinc/37/39/67/571373967.db2.gz ZEGURRDRTCVBQE-CDCCBSOTSA-N 0 0 540.532 3.641 40 5 KHBBRN COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)N2c4ccccc4C=C[C@@H]32)c(OC)c1 ZINC000104103813 571374040 /nfs/dbraw/zinc/37/40/40/571374040.db2.gz ZEGURRDRTCVBQE-MNPUUQGPSA-N 0 0 540.532 3.641 40 5 KHBBRN COc1ccc(N2C(=O)[C@H]3[C@H]4C=Cc5ccccc5N4[C@H](C(=O)Nc4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)c(OC)c1 ZINC000104103818 571373944 /nfs/dbraw/zinc/37/39/44/571373944.db2.gz ZEGURRDRTCVBQE-DSYNPFFXSA-N 0 0 540.532 3.641 40 5 KHBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@H]3[C@H]2C1=O ZINC000104112229 571374097 /nfs/dbraw/zinc/37/40/97/571374097.db2.gz HMAUMKVUAWWLKY-QVQNZMNRSA-N 0 0 539.504 3.840 40 5 KHBBRN 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571375061 /nfs/dbraw/zinc/37/50/61/571375061.db2.gz PZHWLGSOJAXEKI-UHFFFAOYSA-N 0 0 575.622 3.663 40 5 KHBBRN COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)CC2)c1 ZINC000104146641 571375041 /nfs/dbraw/zinc/37/50/41/571375041.db2.gz OZNQQGKRKITBLS-UHFFFAOYSA-N 0 0 575.622 3.663 40 5 KHBBRN CC1(C)OC[C@H]([C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2COC(C)(C)O2)O1 ZINC000104169513 571375905 /nfs/dbraw/zinc/37/59/05/571375905.db2.gz HRIWUCPABXLWNN-ZDNVTZCJSA-N 0 0 560.512 3.557 40 5 KHBBRN CC1(C)OC[C@@H]([C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2COC(C)(C)O2)O1 ZINC000104169518 571375919 /nfs/dbraw/zinc/37/59/19/571375919.db2.gz HRIWUCPABXLWNN-MYGLTJDJSA-N 0 0 560.512 3.557 40 5 KHBBRN CC1(C)OC[C@H]([C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2COC(C)(C)O2)O1 ZINC000104169523 571375856 /nfs/dbraw/zinc/37/58/56/571375856.db2.gz HRIWUCPABXLWNN-CIAFKFPVSA-N 0 0 560.512 3.557 40 5 KHBBRN O=[N+]([O-])c1cc(-c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])oc1-c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104203610 571376887 /nfs/dbraw/zinc/37/68/87/571376887.db2.gz CRXKCCANBCKBOM-UHFFFAOYSA-N 0 0 535.250 3.971 40 5 KHBBRN O=[N+]([O-])c1nc(-c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])sc1-c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104203615 571376891 /nfs/dbraw/zinc/37/68/91/571376891.db2.gz QPQPFOAPFJHQDM-UHFFFAOYSA-N 0 0 552.306 3.835 40 5 KHBBRN CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2Cl)CC1 ZINC000104487232 571381227 /nfs/dbraw/zinc/38/12/27/571381227.db2.gz ONPRSQYDHAEZLV-UHFFFAOYSA-N 0 0 575.091 3.516 40 5 KHBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc6c(cc5[N+](=O)[O-])OCO6)c(=O)n42)c2ccccc2CC3)cc1 ZINC000104657283 571384315 /nfs/dbraw/zinc/38/43/15/571384315.db2.gz TXHFIUXTCLHGBW-CCVBWGSMSA-N 0 0 539.569 3.964 40 5 KHBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc6c(cc5[N+](=O)[O-])OCO6)c(=O)n42)c2ccccc2CC3)cc1 ZINC000104657289 571384344 /nfs/dbraw/zinc/38/43/44/571384344.db2.gz TXHFIUXTCLHGBW-ZWTBYVTRSA-N 0 0 539.569 3.964 40 5 KHBBRN O=C(CSc1nnnn1-c1ccccc1)Nc1c(Br)cc(Br)cc1[N+](=O)[O-] ZINC000104662634 571384964 /nfs/dbraw/zinc/38/49/64/571384964.db2.gz PQQVAIPPLVNKGQ-UHFFFAOYSA-N 0 0 514.159 3.826 40 5 KHBBRN COc1ccc(N(CC(=O)NCCSc2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000104708288 571385495 /nfs/dbraw/zinc/38/54/95/571385495.db2.gz OEIGZGMNXIFFDH-UHFFFAOYSA-N 0 0 531.612 3.716 40 5 KHBBRN COc1ccc(N(CC(=O)NCCSCc2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000104708307 571385505 /nfs/dbraw/zinc/38/55/05/571385505.db2.gz OKQDMPZLJRPCLH-UHFFFAOYSA-N 0 0 545.639 3.857 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000104945153 571388436 /nfs/dbraw/zinc/38/84/36/571388436.db2.gz FDAMKGYUXDQIEY-WLGHQHAYSA-N 0 0 589.655 3.656 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000104945156 571388428 /nfs/dbraw/zinc/38/84/28/571388428.db2.gz FDAMKGYUXDQIEY-NLZIUFDSSA-N 0 0 589.655 3.656 40 5 KHBBRN COc1ccc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000105019866 571389424 /nfs/dbraw/zinc/38/94/24/571389424.db2.gz DXXXLINOSFSBHV-UHFFFAOYSA-N 0 0 565.608 3.544 40 5 KHBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3C(=O)c4ccccc4C3=O)c(OC)c2)cc1[N+](=O)[O-] ZINC000105024981 571389640 /nfs/dbraw/zinc/38/96/40/571389640.db2.gz HSRBYUVNYYVPKN-UHFFFAOYSA-N 0 0 520.523 3.930 40 5 KHBBRN O=C(Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000105123692 571391631 /nfs/dbraw/zinc/39/16/31/571391631.db2.gz KVFZJPJXVUPYNV-UHFFFAOYSA-N 0 0 505.487 3.888 40 5 KHBBRN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1cccc(I)c1 ZINC000105214637 571391976 /nfs/dbraw/zinc/39/19/76/571391976.db2.gz UBKXWLPCRLKBBY-UHFFFAOYSA-N 0 0 530.775 3.690 40 5 KHBBRN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000105303654 571392882 /nfs/dbraw/zinc/39/28/82/571392882.db2.gz FZCRGVYNUUTEDB-UHFFFAOYSA-N 0 0 531.638 3.935 40 5 KHBBRN COc1c(F)c(F)c(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)c(F)c1F ZINC000105303731 571392836 /nfs/dbraw/zinc/39/28/36/571392836.db2.gz OAVPZALINDNNTL-UHFFFAOYSA-N 0 0 555.554 3.987 40 5 KHBBRN O=C(NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000105303818 571392869 /nfs/dbraw/zinc/39/28/69/571392869.db2.gz PTASVXBZGZICMI-UHFFFAOYSA-N 0 0 529.491 3.727 40 5 KHBBRN O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccc(I)cc1 ZINC000105303846 571392967 /nfs/dbraw/zinc/39/29/67/571392967.db2.gz AYIDZIMOMPXQCF-UHFFFAOYSA-N 0 0 530.775 3.690 40 5 KHBBRN O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000105303857 571392963 /nfs/dbraw/zinc/39/29/63/571392963.db2.gz FFPOKEMTJSBPNT-UHFFFAOYSA-N 0 0 533.010 3.984 40 5 KHBBRN O=C(NC(=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000105303879 571392950 /nfs/dbraw/zinc/39/29/50/571392950.db2.gz RQLGXLNPOWEMDL-UHFFFAOYSA-N 0 0 533.010 3.984 40 5 KHBBRN Cc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3)nn12 ZINC000105306223 571394012 /nfs/dbraw/zinc/39/40/12/571394012.db2.gz FBCQOYZYBCOOLT-UHFFFAOYSA-N 0 0 536.643 3.864 40 5 KHBBRN O=C(NC(=S)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000105306445 571394054 /nfs/dbraw/zinc/39/40/54/571394054.db2.gz BXYZPMZGNPETKJ-UHFFFAOYSA-N 0 0 537.989 3.946 40 5 KHBBRN COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000105306459 571394094 /nfs/dbraw/zinc/39/40/94/571394094.db2.gz KYGUREGYHCANNB-UHFFFAOYSA-N 0 0 547.597 3.609 40 5 KHBBRN CCOc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000105306466 571394139 /nfs/dbraw/zinc/39/41/39/571394139.db2.gz YZELMYLDGZERHH-UHFFFAOYSA-N 0 0 547.597 3.691 40 5 KHBBRN Cc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000105306473 571394123 /nfs/dbraw/zinc/39/41/23/571394123.db2.gz UAJYZLSUTXKMAA-UHFFFAOYSA-N 0 0 531.598 3.909 40 5 KHBBRN CCc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000105306483 571394063 /nfs/dbraw/zinc/39/40/63/571394063.db2.gz KEUWSAVPCVPXMT-UHFFFAOYSA-N 0 0 531.598 3.855 40 5 KHBBRN CCOc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000105306490 571394058 /nfs/dbraw/zinc/39/40/58/571394058.db2.gz YZBGQIOVLJUPGR-UHFFFAOYSA-N 0 0 561.624 3.999 40 5 KHBBRN COc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1Cl ZINC000105306492 571394116 /nfs/dbraw/zinc/39/41/16/571394116.db2.gz QZTGTBZUQCFOPV-UHFFFAOYSA-N 0 0 568.015 3.954 40 5 KHBBRN O=C(NC(=S)Nc1ccc(I)cc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000105306587 571394254 /nfs/dbraw/zinc/39/42/54/571394254.db2.gz XKPUGVKOTYQRPE-UHFFFAOYSA-N 0 0 546.774 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/nfs/dbraw/zinc/44/32/97/571443297.db2.gz CQGKCZKCWMWXQP-GOTSBHOMSA-N 0 0 521.636 3.738 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2cc(C)c(Br)c(C)c2)CC1=O ZINC000138551436 571451442 /nfs/dbraw/zinc/45/14/42/571451442.db2.gz BSWRHAPEMAHLGZ-CQSZACIVSA-N 0 0 520.336 3.518 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2cc(C)c(Br)c(C)c2)CC1=O ZINC000138551553 571451437 /nfs/dbraw/zinc/45/14/37/571451437.db2.gz BSWRHAPEMAHLGZ-AWEZNQCLSA-N 0 0 520.336 3.518 40 5 KHBBRN Cc1ccc(-c2csc(NC(=O)CSc3nnc(CNC(=O)c4cccc([N+](=O)[O-])c4)n3C)n2)cc1 ZINC000138594337 571451519 /nfs/dbraw/zinc/45/15/19/571451519.db2.gz HKUULMKTZFQNKB-UHFFFAOYSA-N 0 0 523.600 3.816 40 5 KHBBRN Cc1ccc(-c2csc(NC(=O)CSc3nnc(CNC(=O)c4cccc([N+](=O)[O-])c4)n3C)n2)cc1[N+](=O)[O-] ZINC000138594465 571451496 /nfs/dbraw/zinc/45/14/96/571451496.db2.gz BGAFAPNEPNPBRD-UHFFFAOYSA-N 0 0 568.597 3.724 40 5 KHBBRN COc1ccc(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1[N+](=O)[O-] ZINC000138615013 571451541 /nfs/dbraw/zinc/45/15/41/571451541.db2.gz SVSBDSTWDCIBRC-IBGZPJMESA-N 0 0 509.298 3.957 40 5 KHBBRN COc1ccc(C(=O)COC(=O)[C@@H](C(C)C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1[N+](=O)[O-] ZINC000138615139 571451542 /nfs/dbraw/zinc/45/15/42/571451542.db2.gz SVSBDSTWDCIBRC-LJQANCHMSA-N 0 0 509.298 3.957 40 5 KHBBRN O=C(CN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000138822517 571452216 /nfs/dbraw/zinc/45/22/16/571452216.db2.gz DKORFEKJFBKVFZ-QULSYZCUSA-N 0 0 565.365 3.914 40 5 KHBBRN O=C(CN1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000138822636 571452230 /nfs/dbraw/zinc/45/22/30/571452230.db2.gz DKORFEKJFBKVFZ-SIQOOTDXSA-N 0 0 565.365 3.914 40 5 KHBBRN O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000138822767 571452154 /nfs/dbraw/zinc/45/21/54/571452154.db2.gz DKORFEKJFBKVFZ-OJKWPBSESA-N 0 0 565.365 3.914 40 5 KHBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2ccccc2C1=O)c1ccc(Br)cc1 ZINC000138828103 571452189 /nfs/dbraw/zinc/45/21/89/571452189.db2.gz HTNWJTRNMFPABX-UHFFFAOYSA-N 0 0 508.284 3.894 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2cc(Cl)c(Br)cc2C)CC1=O ZINC000138841055 571452198 /nfs/dbraw/zinc/45/21/98/571452198.db2.gz NVCIEEQQXRNHAK-GFCCVEGCSA-N 0 0 540.754 3.863 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2cc(Cl)c(Br)cc2C)CC1=O ZINC000138841151 571452238 /nfs/dbraw/zinc/45/22/38/571452238.db2.gz NVCIEEQQXRNHAK-LBPRGKRZSA-N 0 0 540.754 3.863 40 5 KHBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000138857761 571452302 /nfs/dbraw/zinc/45/23/02/571452302.db2.gz AHSZHQHJLNSZIJ-UHFFFAOYSA-N 0 0 525.817 3.918 40 5 KHBBRN COc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)Nc4cc(OC)ccc4[N+](=O)[O-])CC3=O)cc2)cc1 ZINC000138869868 571452259 /nfs/dbraw/zinc/45/22/59/571452259.db2.gz GRRYUCWQBAOYNO-QGZVFWFLSA-N 0 0 535.509 3.939 40 5 KHBBRN COc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)Nc4cc(OC)ccc4[N+](=O)[O-])CC3=O)cc2)cc1 ZINC000138869974 571452281 /nfs/dbraw/zinc/45/22/81/571452281.db2.gz GRRYUCWQBAOYNO-KRWDZBQOSA-N 0 0 535.509 3.939 40 5 KHBBRN Cc1c(Cl)c(Br)ccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 ZINC000138964300 571452659 /nfs/dbraw/zinc/45/26/59/571452659.db2.gz PKOUVERPXCTBIE-GFCCVEGCSA-N 0 0 510.728 3.854 40 5 KHBBRN Cc1c(Cl)c(Br)ccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 ZINC000138964410 571452663 /nfs/dbraw/zinc/45/26/63/571452663.db2.gz PKOUVERPXCTBIE-LBPRGKRZSA-N 0 0 510.728 3.854 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(Br)c(C)c2C)CC1=O ZINC000138971364 571452700 /nfs/dbraw/zinc/45/27/00/571452700.db2.gz PWYHVMZYQGHOBW-CQSZACIVSA-N 0 0 520.336 3.518 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(Br)c(C)c2C)CC1=O ZINC000138971460 571452696 /nfs/dbraw/zinc/45/26/96/571452696.db2.gz PWYHVMZYQGHOBW-AWEZNQCLSA-N 0 0 520.336 3.518 40 5 KHBBRN COc1ccc(N(CC(=O)NCc2ccccc2-n2ccnc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000139704465 571453556 /nfs/dbraw/zinc/45/35/56/571453556.db2.gz UPGFGNXJFJYRJI-UHFFFAOYSA-N 0 0 535.582 3.609 40 5 KHBBRN COc1ccc(N(CC(=O)NCc2ccccc2-n2ccnc2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000140108223 571455216 /nfs/dbraw/zinc/45/52/16/571455216.db2.gz WRICRKFSZLWKFK-UHFFFAOYSA-N 0 0 549.609 3.918 40 5 KHBBRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)N1CCCC1 ZINC000144344380 571456405 /nfs/dbraw/zinc/45/64/05/571456405.db2.gz OJZRWECEQHCFSX-UHFFFAOYSA-N 0 0 508.556 3.665 40 5 KHBBRN O=C(NCCNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 ZINC000150379568 571466718 /nfs/dbraw/zinc/46/67/18/571466718.db2.gz WZQBFVFMWIFZEG-DWVPNOFWSA-N 0 0 648.632 3.977 40 5 KHBBRN CCOC(=O)[C@@H](CC(C)C)NC(=O)c1cc(NC(C)=O)c(C)c2oc3c(C)c(=O)c(N)c(C(=O)N[C@@H](CC(C)C)C(=O)OCC)c-3nc12 ZINC000150383399 571467754 /nfs/dbraw/zinc/46/77/54/571467754.db2.gz 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644.600 3.948 40 5 KHBBRN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000150478630 571511467 /nfs/dbraw/zinc/51/14/67/571511467.db2.gz YCEWXZSNNBKBSB-NDENLUEZSA-N 0 0 635.417 3.746 40 5 KHBBRN COc1c(Br)cc(Br)cc1C(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 ZINC000150558649 571521026 /nfs/dbraw/zinc/52/10/26/571521026.db2.gz XODBRKMLEWRWDH-UHFFFAOYSA-N 0 0 643.358 3.802 40 5 KHBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)N1[C@@H](c3ccccc3)[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3N1[C@@H]2c1ccccc1 ZINC000170620847 571562655 /nfs/dbraw/zinc/56/26/55/571562655.db2.gz XDTSPGFPZHLZET-WUOBPNQWSA-N 0 0 644.600 3.948 40 5 KHBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)N1[C@@H](c3ccccc3)[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3N1[C@@H]2c1ccccc1 ZINC000170620849 571562653 /nfs/dbraw/zinc/56/26/53/571562653.db2.gz XDTSPGFPZHLZET-KLDGOVGUSA-N 0 0 644.600 3.948 40 5 KHBBRN O=[N+]([O-])c1ccccc1S(=O)(=O)N(CCCCCN(S(=O)(=O)c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000195754079 1066501679 /nfs/dbraw/zinc/50/16/79/1066501679.db2.gz KQZRBVDCJLCJOK-UHFFFAOYSA-N 0 0 842.821 3.949 40 5 KHBBRN O=[N+]([O-])c1ccccc1S(=O)(=O)N(CCCCN(S(=O)(=O)c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000195759804 1066501508 /nfs/dbraw/zinc/50/15/08/1066501508.db2.gz OKOSWRKRXOENTF-UHFFFAOYSA-N 0 0 828.794 3.559 40 5 KHBBRN CC(C)OC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2nc3c(nc12)c(C(=O)OC(C)C)nn3-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000195791462 1066501551 /nfs/dbraw/zinc/50/15/51/1066501551.db2.gz XHMROFGESNWTFD-UHFFFAOYSA-N 0 0 664.504 3.918 40 5 KHBBRN CCCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2nc3c(nc12)c(C(=O)OCCC)nn3-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000195815911 1066501562 /nfs/dbraw/zinc/50/15/62/1066501562.db2.gz RNZRFNCKQOTPBJ-UHFFFAOYSA-N 0 0 664.504 3.921 40 5 KHBBRN COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1O ZINC000197908587 571565990 /nfs/dbraw/zinc/56/59/90/571565990.db2.gz HYSDUCYLHWAZPQ-KEQCBNTKSA-N 0 0 511.559 3.941 40 5 KHBBRN COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1O ZINC000197908600 571566081 /nfs/dbraw/zinc/56/60/81/571566081.db2.gz HYSDUCYLHWAZPQ-JAYSWQADSA-N 0 0 511.559 3.941 40 5 KHBBRN CCOc1ccc(-n2c(=O)c3ccc4c(=O)n(-c5ccc(OCC)cc5)c(=O)c5ccc(c2=O)c3c45)cc1 ZINC000202139960 571569314 /nfs/dbraw/zinc/56/93/14/571569314.db2.gz FBGDNMOLGMTMAA-UHFFFAOYSA-N 0 0 506.514 3.841 40 5 KHBBRN O=[N+]([O-])c1ccc(O[C@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](O)[C@H](O)[C@H]2O)cc1 ZINC000204467603 571569417 /nfs/dbraw/zinc/56/94/17/571569417.db2.gz HUYKQPASBOHHIN-QBHLCAJUSA-N 0 0 543.572 3.790 40 5 KHBBRN CCOC(=O)CN1C(=O)S/C(=C\c2cccc(OC)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000205678444 571569960 /nfs/dbraw/zinc/56/99/60/571569960.db2.gz BVBFNFDUBGLYPJ-RQZCQDPDSA-N 0 0 503.445 3.903 40 5 KHBBRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)C1=O ZINC000205683162 571569859 /nfs/dbraw/zinc/56/98/59/571569859.db2.gz AGUKABLBKSPSTA-GIJQJNRQSA-N 0 0 503.445 3.903 40 5 KHBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)OC)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000205754975 571570718 /nfs/dbraw/zinc/57/07/18/571570718.db2.gz PKZBMWQEGKYXLT-GIJQJNRQSA-N 0 0 503.445 3.903 40 5 KHBBRN COc1cccc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000205872586 571572018 /nfs/dbraw/zinc/57/20/18/571572018.db2.gz PWFANWRXAUKJDL-YBFXNURJSA-N 0 0 528.499 3.963 40 5 KHBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000205912495 571572144 /nfs/dbraw/zinc/57/21/44/571572144.db2.gz RRTGQUREDKHMNV-RGVLZGJSSA-N 0 0 528.499 3.963 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000207306752 571573247 /nfs/dbraw/zinc/57/32/47/571573247.db2.gz AKGNHESGPKPZKL-CRCYZHLCSA-N 0 0 605.625 3.992 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000207306799 571573254 /nfs/dbraw/zinc/57/32/54/571573254.db2.gz AKGNHESGPKPZKL-FQKMCRJQSA-N 0 0 605.625 3.992 40 5 KHBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214296937 571578347 /nfs/dbraw/zinc/57/83/47/571578347.db2.gz VEORGMZQSAVHOD-CIAFOILYSA-N 0 0 558.525 3.589 40 5 KHBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)N1CCOCC1 ZINC000214309643 571578355 /nfs/dbraw/zinc/57/83/55/571578355.db2.gz IXNHPZNAWMNNNV-UDWIEESQSA-N 0 0 562.398 3.831 40 5 KHBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000214641335 571580020 /nfs/dbraw/zinc/58/00/20/571580020.db2.gz LEXVBSYOBCXCCZ-SRZZPIQSSA-N 0 0 592.424 3.840 40 5 KHBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O)N1CCOCC1 ZINC000214648925 571580007 /nfs/dbraw/zinc/58/00/07/571580007.db2.gz WNSLOCIKORLUEG-UDWIEESQSA-N 0 0 562.398 3.831 40 5 KHBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000214653449 571579997 /nfs/dbraw/zinc/57/99/97/571579997.db2.gz SXTRRNFGMDUKJY-UDWIEESQSA-N 0 0 547.973 3.731 40 5 KHBBRN COc1ccc(N(CC(=O)NCc2ccc(-n3ccnc3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000215903665 571586926 /nfs/dbraw/zinc/58/69/26/571586926.db2.gz FXGMZVSAIIZMOT-UHFFFAOYSA-N 0 0 535.582 3.609 40 5 KHBBRN COc1ccc(N(CC(=O)NCc2ccc(-n3ccnc3C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000215996319 571591211 /nfs/dbraw/zinc/59/12/11/571591211.db2.gz SVEPQFIZFZAXEC-UHFFFAOYSA-N 0 0 549.609 3.918 40 5 KHBBRN COc1cc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000217347711 571600948 /nfs/dbraw/zinc/60/09/48/571600948.db2.gz UYWITWSRZWNZHO-XPWALMASSA-N 0 0 520.454 3.571 40 5 KHBBRN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000217448631 571601654 /nfs/dbraw/zinc/60/16/54/571601654.db2.gz CCOCLNLUAJFZQB-ZFGGDYGUSA-N 0 0 550.480 3.580 40 5 KHBBRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222372587 571605161 /nfs/dbraw/zinc/60/51/61/571605161.db2.gz UHGJQQPETKISAD-OAQYLSRUSA-N 0 0 568.652 3.579 40 5 KHBBRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222372650 571605187 /nfs/dbraw/zinc/60/51/87/571605187.db2.gz UHGJQQPETKISAD-NRFANRHFSA-N 0 0 568.652 3.579 40 5 KHBBRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222418054 571360627 /nfs/dbraw/zinc/36/06/27/571360627.db2.gz SHPUDPWSCLNHRX-OAQYLSRUSA-N 0 0 568.652 3.579 40 5 KHBBRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222418109 571360617 /nfs/dbraw/zinc/36/06/17/571360617.db2.gz SHPUDPWSCLNHRX-NRFANRHFSA-N 0 0 568.652 3.579 40 5 KHBBRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222463984 571362056 /nfs/dbraw/zinc/36/20/56/571362056.db2.gz QWSXXNXTHOMAQF-OAQYLSRUSA-N 0 0 568.652 3.579 40 5 KHBBRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222464051 571362042 /nfs/dbraw/zinc/36/20/42/571362042.db2.gz QWSXXNXTHOMAQF-NRFANRHFSA-N 0 0 568.652 3.579 40 5 KHBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222475408 571363086 /nfs/dbraw/zinc/36/30/86/571363086.db2.gz KFGNMNJOQZCUTB-RUZDIDTESA-N 0 0 573.071 3.709 40 5 KHBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222475475 571363107 /nfs/dbraw/zinc/36/31/07/571363107.db2.gz KFGNMNJOQZCUTB-VWLOTQADSA-N 0 0 573.071 3.709 40 5 KHBBRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222498073 571364414 /nfs/dbraw/zinc/36/44/14/571364414.db2.gz DBYJSFNXJPOLQL-GOSISDBHSA-N 0 0 545.017 3.607 40 5 KHBBRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222498141 571364393 /nfs/dbraw/zinc/36/43/93/571364393.db2.gz DBYJSFNXJPOLQL-SFHVURJKSA-N 0 0 545.017 3.607 40 5 KHBBRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222498238 571364407 /nfs/dbraw/zinc/36/44/07/571364407.db2.gz FDMAYBGQORTRNU-GOSISDBHSA-N 0 0 545.017 3.607 40 5 KHBBRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222498302 571364394 /nfs/dbraw/zinc/36/43/94/571364394.db2.gz FDMAYBGQORTRNU-SFHVURJKSA-N 0 0 545.017 3.607 40 5 KHBBRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222509963 571365322 /nfs/dbraw/zinc/36/53/22/571365322.db2.gz XEDVNYQZUCSAGC-LJQANCHMSA-N 0 0 589.070 3.924 40 5 KHBBRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222510016 571365358 /nfs/dbraw/zinc/36/53/58/571365358.db2.gz XEDVNYQZUCSAGC-IBGZPJMESA-N 0 0 589.070 3.924 40 5 KHBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222536621 571368731 /nfs/dbraw/zinc/36/87/31/571368731.db2.gz CLMUXINFECCTHS-NRFANRHFSA-N 0 0 539.054 3.655 40 5 KHBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222536677 571368652 /nfs/dbraw/zinc/36/86/52/571368652.db2.gz CLMUXINFECCTHS-OAQYLSRUSA-N 0 0 539.054 3.655 40 5 KHBBRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222544784 571369461 /nfs/dbraw/zinc/36/94/61/571369461.db2.gz CBPIEKMXGMOCMV-GOSISDBHSA-N 0 0 545.017 3.607 40 5 KHBBRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222544851 571369523 /nfs/dbraw/zinc/36/95/23/571369523.db2.gz CBPIEKMXGMOCMV-SFHVURJKSA-N 0 0 545.017 3.607 40 5 KHBBRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222544932 571369560 /nfs/dbraw/zinc/36/95/60/571369560.db2.gz ZNCWDTOFKCFVBF-GOSISDBHSA-N 0 0 545.017 3.607 40 5 KHBBRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222545009 571369552 /nfs/dbraw/zinc/36/95/52/571369552.db2.gz ZNCWDTOFKCFVBF-SFHVURJKSA-N 0 0 545.017 3.607 40 5 KHBBRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222557383 571370993 /nfs/dbraw/zinc/37/09/93/571370993.db2.gz UEGKMGMNXSBQEG-LJQANCHMSA-N 0 0 589.070 3.924 40 5 KHBBRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222557451 571370941 /nfs/dbraw/zinc/37/09/41/571370941.db2.gz UEGKMGMNXSBQEG-IBGZPJMESA-N 0 0 589.070 3.924 40 5 KHBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222586749 571373976 /nfs/dbraw/zinc/37/39/76/571373976.db2.gz NYXRVAUPTVPMLE-NRFANRHFSA-N 0 0 539.054 3.655 40 5 KHBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222586823 571373975 /nfs/dbraw/zinc/37/39/75/571373975.db2.gz NYXRVAUPTVPMLE-OAQYLSRUSA-N 0 0 539.054 3.655 40 5 KHBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222616869 571377132 /nfs/dbraw/zinc/37/71/32/571377132.db2.gz WGDIVUQWLZETEZ-XMMPIXPASA-N 0 0 603.495 3.509 40 5 KHBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222616932 571377153 /nfs/dbraw/zinc/37/71/53/571377153.db2.gz WGDIVUQWLZETEZ-DEOSSOPVSA-N 0 0 603.495 3.509 40 5 KHBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222621125 571377456 /nfs/dbraw/zinc/37/74/56/571377456.db2.gz LCSLHCVEGNCQBC-XMMPIXPASA-N 0 0 633.521 3.518 40 5 KHBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222621192 571377463 /nfs/dbraw/zinc/37/74/63/571377463.db2.gz LCSLHCVEGNCQBC-DEOSSOPVSA-N 0 0 633.521 3.518 40 5 KHBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222624773 571377717 /nfs/dbraw/zinc/37/77/17/571377717.db2.gz SRVJNEJFBIDZES-RUZDIDTESA-N 0 0 617.522 3.818 40 5 KHBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222624854 571377752 /nfs/dbraw/zinc/37/77/52/571377752.db2.gz SRVJNEJFBIDZES-VWLOTQADSA-N 0 0 617.522 3.818 40 5 KHBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222667558 571381831 /nfs/dbraw/zinc/38/18/31/571381831.db2.gz UVCXNFDLFQGJMY-XMMPIXPASA-N 0 0 603.495 3.509 40 5 KHBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222667610 571381821 /nfs/dbraw/zinc/38/18/21/571381821.db2.gz UVCXNFDLFQGJMY-DEOSSOPVSA-N 0 0 603.495 3.509 40 5 KHBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222671643 571382331 /nfs/dbraw/zinc/38/23/31/571382331.db2.gz IUJITNUHOMXWSV-XMMPIXPASA-N 0 0 633.521 3.518 40 5 KHBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222671708 571382250 /nfs/dbraw/zinc/38/22/50/571382250.db2.gz IUJITNUHOMXWSV-DEOSSOPVSA-N 0 0 633.521 3.518 40 5 KHBBRN COc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000222671728 571382291 /nfs/dbraw/zinc/38/22/91/571382291.db2.gz CSXLNSCZJGGLPZ-SFHVURJKSA-N 0 0 541.582 3.756 40 5 KHBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222675122 571382901 /nfs/dbraw/zinc/38/29/01/571382901.db2.gz QIARCHROSIIGNE-RUZDIDTESA-N 0 0 617.522 3.818 40 5 KHBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222675188 571382869 /nfs/dbraw/zinc/38/28/69/571382869.db2.gz QIARCHROSIIGNE-VWLOTQADSA-N 0 0 617.522 3.818 40 5 KHBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222679827 571383475 /nfs/dbraw/zinc/38/34/75/571383475.db2.gz CDCHFHFUWADCHK-NRFANRHFSA-N 0 0 559.472 4.000 40 5 KHBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222679900 571383477 /nfs/dbraw/zinc/38/34/77/571383477.db2.gz CDCHFHFUWADCHK-OAQYLSRUSA-N 0 0 559.472 4.000 40 5 KHBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222728175 571390114 /nfs/dbraw/zinc/39/01/14/571390114.db2.gz YZYJTIOFAXCQRP-NRFANRHFSA-N 0 0 559.472 4.000 40 5 KHBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222728233 571390329 /nfs/dbraw/zinc/39/03/29/571390329.db2.gz YZYJTIOFAXCQRP-OAQYLSRUSA-N 0 0 559.472 4.000 40 5 KHBBRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222730799 571390597 /nfs/dbraw/zinc/39/05/97/571390597.db2.gz KCVBKZWCHPGLNM-HHHXNRCGSA-N 0 0 584.670 3.912 40 5 KHBBRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222730863 571390638 /nfs/dbraw/zinc/39/06/38/571390638.db2.gz KCVBKZWCHPGLNM-MHZLTWQESA-N 0 0 584.670 3.912 40 5 KHBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O ZINC000222734106 571391179 /nfs/dbraw/zinc/39/11/79/571391179.db2.gz UBVOIKCVJHRYOZ-MHZLTWQESA-N 0 0 614.696 3.921 40 5 KHBBRN COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1nnc(SCc2ccccc2)s1)S(C)(=O)=O ZINC000222750246 571392953 /nfs/dbraw/zinc/39/29/53/571392953.db2.gz DNVWBMLBGVFMJH-UHFFFAOYSA-N 0 0 537.645 3.932 40 5 KHBBRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222769991 571395377 /nfs/dbraw/zinc/39/53/77/571395377.db2.gz YFFUIYZWZASLQP-HHHXNRCGSA-N 0 0 584.670 3.912 40 5 KHBBRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222770024 571395359 /nfs/dbraw/zinc/39/53/59/571395359.db2.gz YFFUIYZWZASLQP-MHZLTWQESA-N 0 0 584.670 3.912 40 5 KHBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O ZINC000222773141 571395679 /nfs/dbraw/zinc/39/56/79/571395679.db2.gz QQGPCQODFSCYOE-MHZLTWQESA-N 0 0 614.696 3.921 40 5 KHBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222775953 571396045 /nfs/dbraw/zinc/39/60/45/571396045.db2.gz WVBJCYCXGQSZCT-NRFANRHFSA-N 0 0 559.472 4.000 40 5 KHBBRN CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222776012 571396055 /nfs/dbraw/zinc/39/60/55/571396055.db2.gz WVBJCYCXGQSZCT-OAQYLSRUSA-N 0 0 559.472 4.000 40 5 KHBBRN CC[C@@H](C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222777830 571396235 /nfs/dbraw/zinc/39/62/35/571396235.db2.gz MSHWUDLBBXWCBE-HNNXBMFYSA-N 0 0 525.996 3.959 40 5 KHBBRN CC[C@H](C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222777895 571396240 /nfs/dbraw/zinc/39/62/40/571396240.db2.gz MSHWUDLBBXWCBE-OAHLLOKOSA-N 0 0 525.996 3.959 40 5 KHBBRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222803302 571399822 /nfs/dbraw/zinc/39/98/22/571399822.db2.gz XQKDMSJPIBHZLE-LJQANCHMSA-N 0 0 619.096 3.932 40 5 KHBBRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222803362 571399846 /nfs/dbraw/zinc/39/98/46/571399846.db2.gz XQKDMSJPIBHZLE-IBGZPJMESA-N 0 0 619.096 3.932 40 5 KHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000222808275 571400496 /nfs/dbraw/zinc/40/04/96/571400496.db2.gz HYYKKKATQOAWMU-KRWDZBQOSA-N 0 0 539.054 3.655 40 5 KHBBRN COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1nnc(-c2ccc(C)cc2)s1)S(C)(=O)=O ZINC000222843866 571404756 /nfs/dbraw/zinc/40/47/56/571404756.db2.gz COPCXFPLXUKPCM-UHFFFAOYSA-N 0 0 505.578 3.615 40 5 KHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000222847688 571405247 /nfs/dbraw/zinc/40/52/47/571405247.db2.gz JBBYQLRXBLCBOS-KRWDZBQOSA-N 0 0 539.054 3.655 40 5 KHBBRN CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222849973 571405478 /nfs/dbraw/zinc/40/54/78/571405478.db2.gz ZUPXBZBJBOJVDO-LJQANCHMSA-N 0 0 619.096 3.932 40 5 KHBBRN CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222850036 571405411 /nfs/dbraw/zinc/40/54/11/571405411.db2.gz ZUPXBZBJBOJVDO-IBGZPJMESA-N 0 0 619.096 3.932 40 5 KHBBRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222895697 571410799 /nfs/dbraw/zinc/41/07/99/571410799.db2.gz SEZGGRLIRTYDKJ-LJQANCHMSA-N 0 0 559.044 3.997 40 5 KHBBRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222895752 571410864 /nfs/dbraw/zinc/41/08/64/571410864.db2.gz SEZGGRLIRTYDKJ-IBGZPJMESA-N 0 0 559.044 3.997 40 5 KHBBRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222895837 571410817 /nfs/dbraw/zinc/41/08/17/571410817.db2.gz YUIBRHCBPMWMPQ-LJQANCHMSA-N 0 0 559.044 3.997 40 5 KHBBRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222895897 571410862 /nfs/dbraw/zinc/41/08/62/571410862.db2.gz YUIBRHCBPMWMPQ-IBGZPJMESA-N 0 0 559.044 3.997 40 5 KHBBRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222897597 571411148 /nfs/dbraw/zinc/41/11/48/571411148.db2.gz YBFYRAPCBVKOBF-HXUWFJFHSA-N 0 0 603.097 3.966 40 5 KHBBRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222897658 571411145 /nfs/dbraw/zinc/41/11/45/571411145.db2.gz YBFYRAPCBVKOBF-FQEVSTJZSA-N 0 0 603.097 3.966 40 5 KHBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222922291 571413389 /nfs/dbraw/zinc/41/33/89/571413389.db2.gz BOKQULIZHBYJGL-HNNXBMFYSA-N 0 0 559.472 4.000 40 5 KHBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222922355 571413355 /nfs/dbraw/zinc/41/33/55/571413355.db2.gz BOKQULIZHBYJGL-OAHLLOKOSA-N 0 0 559.472 4.000 40 5 KHBBRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222940375 571415232 /nfs/dbraw/zinc/41/52/32/571415232.db2.gz FKTBWDWYJDDACL-VWLOTQADSA-N 0 0 568.652 3.661 40 5 KHBBRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222940435 571415292 /nfs/dbraw/zinc/41/52/92/571415292.db2.gz FKTBWDWYJDDACL-RUZDIDTESA-N 0 0 568.652 3.661 40 5 KHBBRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222958230 571417257 /nfs/dbraw/zinc/41/72/57/571417257.db2.gz FQNHLCSASZVLME-HXUWFJFHSA-N 0 0 586.642 3.800 40 5 KHBBRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222958296 571417269 /nfs/dbraw/zinc/41/72/69/571417269.db2.gz FQNHLCSASZVLME-FQEVSTJZSA-N 0 0 586.642 3.800 40 5 KHBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222963215 571417775 /nfs/dbraw/zinc/41/77/75/571417775.db2.gz CJLVCFIGCQOMLS-HNNXBMFYSA-N 0 0 559.472 4.000 40 5 KHBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222963269 571417755 /nfs/dbraw/zinc/41/77/55/571417755.db2.gz CJLVCFIGCQOMLS-OAHLLOKOSA-N 0 0 559.472 4.000 40 5 KHBBRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222974817 571418726 /nfs/dbraw/zinc/41/87/26/571418726.db2.gz HVKUJPWIDDYZSZ-VWLOTQADSA-N 0 0 538.626 3.652 40 5 KHBBRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222974877 571418738 /nfs/dbraw/zinc/41/87/38/571418738.db2.gz HVKUJPWIDDYZSZ-RUZDIDTESA-N 0 0 538.626 3.652 40 5 KHBBRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222974965 571418740 /nfs/dbraw/zinc/41/87/40/571418740.db2.gz MQMWVUSKPINNGS-VWLOTQADSA-N 0 0 538.626 3.652 40 5 KHBBRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222975034 193931322 /nfs/dbraw/zinc/93/13/22/193931322.db2.gz MQMWVUSKPINNGS-RUZDIDTESA-N 0 0 538.626 3.652 40 5 KHBBRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222986842 571419580 /nfs/dbraw/zinc/41/95/80/571419580.db2.gz MKSUYDRKMANFJA-SANMLTNESA-N 0 0 582.679 3.969 40 5 KHBBRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222986905 571419504 /nfs/dbraw/zinc/41/95/04/571419504.db2.gz MKSUYDRKMANFJA-AREMUKBSSA-N 0 0 582.679 3.969 40 5 KHBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223002756 571420696 /nfs/dbraw/zinc/42/06/96/571420696.db2.gz VLXHEHUTACXPOE-HNNXBMFYSA-N 0 0 559.472 4.000 40 5 KHBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223002818 571420701 /nfs/dbraw/zinc/42/07/01/571420701.db2.gz VLXHEHUTACXPOE-OAHLLOKOSA-N 0 0 559.472 4.000 40 5 KHBBRN COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000223006298 193940606 /nfs/dbraw/zinc/94/06/06/193940606.db2.gz YHPPWCZBDXWIMG-NDEPHWFRSA-N 0 0 596.706 3.782 40 5 KHBBRN COc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000223009031 571421360 /nfs/dbraw/zinc/42/13/60/571421360.db2.gz BIJJXCUXGLXUFR-NDEPHWFRSA-N 0 0 626.732 3.790 40 5 KHBBRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223022069 193946894 /nfs/dbraw/zinc/94/68/94/193946894.db2.gz NIDRTSPWHFBGBJ-VWLOTQADSA-N 0 0 538.626 3.652 40 5 KHBBRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223022125 571422650 /nfs/dbraw/zinc/42/26/50/571422650.db2.gz NIDRTSPWHFBGBJ-RUZDIDTESA-N 0 0 538.626 3.652 40 5 KHBBRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223022205 571422627 /nfs/dbraw/zinc/42/26/27/571422627.db2.gz RFFJIHPCVFVYQR-VWLOTQADSA-N 0 0 538.626 3.652 40 5 KHBBRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223022264 571422608 /nfs/dbraw/zinc/42/26/08/571422608.db2.gz RFFJIHPCVFVYQR-RUZDIDTESA-N 0 0 538.626 3.652 40 5 KHBBRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223034159 571423839 /nfs/dbraw/zinc/42/38/39/571423839.db2.gz FDMADJMAEDBXLY-SANMLTNESA-N 0 0 582.679 3.969 40 5 KHBBRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223034214 571423813 /nfs/dbraw/zinc/42/38/13/571423813.db2.gz FDMADJMAEDBXLY-AREMUKBSSA-N 0 0 582.679 3.969 40 5 KHBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223059499 571426952 /nfs/dbraw/zinc/42/69/52/571426952.db2.gz FMMHHQFHRLFSNV-QZTJIDSGSA-N 0 0 539.054 3.655 40 5 KHBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223059553 571426920 /nfs/dbraw/zinc/42/69/20/571426920.db2.gz FMMHHQFHRLFSNV-ZWKOTPCHSA-N 0 0 539.054 3.655 40 5 KHBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223068445 571427745 /nfs/dbraw/zinc/42/77/45/571427745.db2.gz KYGNDMFZHOIMLS-VWLOTQADSA-N 0 0 538.626 3.652 40 5 KHBBRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223068504 571427746 /nfs/dbraw/zinc/42/77/46/571427746.db2.gz KYGNDMFZHOIMLS-RUZDIDTESA-N 0 0 538.626 3.652 40 5 KHBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223068597 571427728 /nfs/dbraw/zinc/42/77/28/571427728.db2.gz HJEWRANZYLITRJ-VWLOTQADSA-N 0 0 538.626 3.652 40 5 KHBBRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223069069 571427782 /nfs/dbraw/zinc/42/77/82/571427782.db2.gz HJEWRANZYLITRJ-RUZDIDTESA-N 0 0 538.626 3.652 40 5 KHBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223080757 571429018 /nfs/dbraw/zinc/42/90/18/571429018.db2.gz ZOTKTIWGEXQDLR-SANMLTNESA-N 0 0 582.679 3.969 40 5 KHBBRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223080805 571428985 /nfs/dbraw/zinc/42/89/85/571428985.db2.gz ZOTKTIWGEXQDLR-AREMUKBSSA-N 0 0 582.679 3.969 40 5 KHBBRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223114601 571432957 /nfs/dbraw/zinc/43/29/57/571432957.db2.gz JNVAMMSLNLLZJW-DEOSSOPVSA-N 0 0 559.044 3.997 40 5 KHBBRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223114650 571432921 /nfs/dbraw/zinc/43/29/21/571432921.db2.gz JNVAMMSLNLLZJW-XMMPIXPASA-N 0 0 559.044 3.997 40 5 KHBBRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223114721 571432945 /nfs/dbraw/zinc/43/29/45/571432945.db2.gz FXRPHIVUISBANY-DEOSSOPVSA-N 0 0 559.044 3.997 40 5 KHBBRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223114774 571432951 /nfs/dbraw/zinc/43/29/51/571432951.db2.gz FXRPHIVUISBANY-XMMPIXPASA-N 0 0 559.044 3.997 40 5 KHBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223159559 571438284 /nfs/dbraw/zinc/43/82/84/571438284.db2.gz NCGYGKJFJAUXSJ-DEOSSOPVSA-N 0 0 559.044 3.997 40 5 KHBBRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223159620 571438380 /nfs/dbraw/zinc/43/83/80/571438380.db2.gz NCGYGKJFJAUXSJ-XMMPIXPASA-N 0 0 559.044 3.997 40 5 KHBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223159709 571438455 /nfs/dbraw/zinc/43/84/55/571438455.db2.gz CHGUDPSXRZISKJ-DEOSSOPVSA-N 0 0 559.044 3.997 40 5 KHBBRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223159799 571438449 /nfs/dbraw/zinc/43/84/49/571438449.db2.gz CHGUDPSXRZISKJ-XMMPIXPASA-N 0 0 559.044 3.997 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)o1 ZINC000223161860 571438862 /nfs/dbraw/zinc/43/88/62/571438862.db2.gz DWILCKCUKNZMNI-DNQXCXABSA-N 0 0 509.588 3.563 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)o1 ZINC000223161917 571438938 /nfs/dbraw/zinc/43/89/38/571438938.db2.gz DWILCKCUKNZMNI-RPWUZVMVSA-N 0 0 509.588 3.563 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)o1 ZINC000223161975 571438840 /nfs/dbraw/zinc/43/88/40/571438840.db2.gz DWILCKCUKNZMNI-BJKOFHAPSA-N 0 0 509.588 3.563 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)o1 ZINC000223162039 571438872 /nfs/dbraw/zinc/43/88/72/571438872.db2.gz DWILCKCUKNZMNI-ZEQRLZLVSA-N 0 0 509.588 3.563 40 5 KHBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223162056 571438914 /nfs/dbraw/zinc/43/89/14/571438914.db2.gz IOOBDIBTVDXMDU-HHHXNRCGSA-N 0 0 566.680 3.754 40 5 KHBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223162112 571438882 /nfs/dbraw/zinc/43/88/82/571438882.db2.gz IOOBDIBTVDXMDU-MHZLTWQESA-N 0 0 566.680 3.754 40 5 KHBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223175362 571441042 /nfs/dbraw/zinc/44/10/42/571441042.db2.gz HNJWIBHDPSNBCH-GOSISDBHSA-N 0 0 539.054 3.656 40 5 KHBBRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223175426 571441098 /nfs/dbraw/zinc/44/10/98/571441098.db2.gz HNJWIBHDPSNBCH-SFHVURJKSA-N 0 0 539.054 3.656 40 5 KHBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223177165 571441271 /nfs/dbraw/zinc/44/12/71/571441271.db2.gz KEVJQVHWIAAZSO-QZTJIDSGSA-N 0 0 583.505 3.764 40 5 KHBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223177222 571441338 /nfs/dbraw/zinc/44/13/38/571441338.db2.gz KEVJQVHWIAAZSO-ZWKOTPCHSA-N 0 0 583.505 3.764 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)o1 ZINC000223204664 571444674 /nfs/dbraw/zinc/44/46/74/571444674.db2.gz WKUXLJKCPNLGTE-JWQCQUIFSA-N 0 0 523.615 3.953 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)o1 ZINC000223204731 571444701 /nfs/dbraw/zinc/44/47/01/571444701.db2.gz WKUXLJKCPNLGTE-RPBOFIJWSA-N 0 0 523.615 3.953 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)o1 ZINC000223204792 571444687 /nfs/dbraw/zinc/44/46/87/571444687.db2.gz WKUXLJKCPNLGTE-LOSJGSFVSA-N 0 0 523.615 3.953 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)o1 ZINC000223204846 571444682 /nfs/dbraw/zinc/44/46/82/571444682.db2.gz WKUXLJKCPNLGTE-DQEYMECFSA-N 0 0 523.615 3.953 40 5 KHBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223208079 571445248 /nfs/dbraw/zinc/44/52/48/571445248.db2.gz SNYHEUWFMOYZSV-QFIPXVFZSA-N 0 0 532.663 3.700 40 5 KHBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223208142 571445253 /nfs/dbraw/zinc/44/52/53/571445253.db2.gz SNYHEUWFMOYZSV-JOCHJYFZSA-N 0 0 532.663 3.700 40 5 KHBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223208952 571445395 /nfs/dbraw/zinc/44/53/95/571445395.db2.gz FVEAJBODDMUFNC-HHHXNRCGSA-N 0 0 566.680 3.754 40 5 KHBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223209014 571445368 /nfs/dbraw/zinc/44/53/68/571445368.db2.gz FVEAJBODDMUFNC-MHZLTWQESA-N 0 0 566.680 3.754 40 5 KHBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223215109 571446216 /nfs/dbraw/zinc/44/62/16/571446216.db2.gz CSDPXNOZSDOFJQ-VWLOTQADSA-N 0 0 586.642 3.800 40 5 KHBBRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223215174 571446227 /nfs/dbraw/zinc/44/62/27/571446227.db2.gz CSDPXNOZSDOFJQ-RUZDIDTESA-N 0 0 586.642 3.800 40 5 KHBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223222137 571447105 /nfs/dbraw/zinc/44/71/05/571447105.db2.gz WZRKOMAVISNCLK-GOSISDBHSA-N 0 0 539.054 3.656 40 5 KHBBRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223222198 571447149 /nfs/dbraw/zinc/44/71/49/571447149.db2.gz WZRKOMAVISNCLK-SFHVURJKSA-N 0 0 539.054 3.656 40 5 KHBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223233696 571448486 /nfs/dbraw/zinc/44/84/86/571448486.db2.gz IDAFUAXXPOEJKE-QZTJIDSGSA-N 0 0 583.505 3.764 40 5 KHBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223233756 571448494 /nfs/dbraw/zinc/44/84/94/571448494.db2.gz IDAFUAXXPOEJKE-ZWKOTPCHSA-N 0 0 583.505 3.764 40 5 KHBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223253870 571451310 /nfs/dbraw/zinc/45/13/10/571451310.db2.gz AYEFSFATQVNKFO-QFIPXVFZSA-N 0 0 532.663 3.700 40 5 KHBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223253934 571451303 /nfs/dbraw/zinc/45/13/03/571451303.db2.gz AYEFSFATQVNKFO-JOCHJYFZSA-N 0 0 532.663 3.700 40 5 KHBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223254606 571451378 /nfs/dbraw/zinc/45/13/78/571451378.db2.gz FPNSKQGSDWYSET-HHHXNRCGSA-N 0 0 566.680 3.754 40 5 KHBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223254660 571451410 /nfs/dbraw/zinc/45/14/10/571451410.db2.gz FPNSKQGSDWYSET-MHZLTWQESA-N 0 0 566.680 3.754 40 5 KHBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223268080 571452772 /nfs/dbraw/zinc/45/27/72/571452772.db2.gz PRHJSCXSCZAHRV-IBGZPJMESA-N 0 0 545.445 3.529 40 5 KHBBRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223268134 571452730 /nfs/dbraw/zinc/45/27/30/571452730.db2.gz PRHJSCXSCZAHRV-LJQANCHMSA-N 0 0 545.445 3.529 40 5 KHBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223282427 571454497 /nfs/dbraw/zinc/45/44/97/571454497.db2.gz OVYGYIAVHFVNEN-AJTFRIOCSA-N 0 0 566.680 3.916 40 5 KHBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223282476 571454520 /nfs/dbraw/zinc/45/45/20/571454520.db2.gz OVYGYIAVHFVNEN-WXVAWEFUSA-N 0 0 566.680 3.916 40 5 KHBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223286530 571455058 /nfs/dbraw/zinc/45/50/58/571455058.db2.gz FWGMKSCVNMWHHY-AJTFRIOCSA-N 0 0 596.706 3.924 40 5 KHBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223286585 571455048 /nfs/dbraw/zinc/45/50/48/571455048.db2.gz FWGMKSCVNMWHHY-WXVAWEFUSA-N 0 0 596.706 3.924 40 5 KHBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223293579 571456266 /nfs/dbraw/zinc/45/62/66/571456266.db2.gz JUUNHOPIXGTZNY-RUZDIDTESA-N 0 0 573.071 3.790 40 5 KHBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223293641 571456258 /nfs/dbraw/zinc/45/62/58/571456258.db2.gz JUUNHOPIXGTZNY-VWLOTQADSA-N 0 0 573.071 3.790 40 5 KHBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223298094 571457072 /nfs/dbraw/zinc/45/70/72/571457072.db2.gz UJDLUINOFWBQSJ-RUZDIDTESA-N 0 0 603.097 3.799 40 5 KHBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223298145 571457033 /nfs/dbraw/zinc/45/70/33/571457033.db2.gz UJDLUINOFWBQSJ-VWLOTQADSA-N 0 0 603.097 3.799 40 5 KHBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223298572 571457159 /nfs/dbraw/zinc/45/71/59/571457159.db2.gz KYXKMLKWFYEPOU-QFIPXVFZSA-N 0 0 532.663 3.700 40 5 KHBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223298619 571457172 /nfs/dbraw/zinc/45/71/72/571457172.db2.gz KYXKMLKWFYEPOU-JOCHJYFZSA-N 0 0 532.663 3.700 40 5 KHBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223312183 571459158 /nfs/dbraw/zinc/45/91/58/571459158.db2.gz CODQEXYIBCJLCH-IBGZPJMESA-N 0 0 545.445 3.529 40 5 KHBBRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223312255 571459186 /nfs/dbraw/zinc/45/91/86/571459186.db2.gz CODQEXYIBCJLCH-LJQANCHMSA-N 0 0 545.445 3.529 40 5 KHBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223336987 571462317 /nfs/dbraw/zinc/46/23/17/571462317.db2.gz 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CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223381437 571468696 /nfs/dbraw/zinc/46/86/96/571468696.db2.gz QNYAPBCJTRTDIP-NRFANRHFSA-N 0 0 539.054 3.736 40 5 KHBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223381494 571468663 /nfs/dbraw/zinc/46/86/63/571468663.db2.gz QNYAPBCJTRTDIP-OAQYLSRUSA-N 0 0 539.054 3.736 40 5 KHBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223384764 571469220 /nfs/dbraw/zinc/46/92/20/571469220.db2.gz HELPUKKZSFACRW-RUZDIDTESA-N 0 0 573.071 3.790 40 5 KHBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223384816 571469321 /nfs/dbraw/zinc/46/93/21/571469321.db2.gz HELPUKKZSFACRW-VWLOTQADSA-N 0 0 573.071 3.790 40 5 KHBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223385392 571469347 /nfs/dbraw/zinc/46/93/47/571469347.db2.gz MTOCBOXUOXNDIS-FQEVSTJZSA-N 0 0 569.080 3.745 40 5 KHBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223385450 571469377 /nfs/dbraw/zinc/46/93/77/571469377.db2.gz MTOCBOXUOXNDIS-HXUWFJFHSA-N 0 0 569.080 3.745 40 5 KHBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223388747 571469878 /nfs/dbraw/zinc/46/98/78/571469878.db2.gz VWGCXNOAOXVPDA-RUZDIDTESA-N 0 0 603.097 3.799 40 5 KHBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223388809 571469848 /nfs/dbraw/zinc/46/98/48/571469848.db2.gz VWGCXNOAOXVPDA-VWLOTQADSA-N 0 0 603.097 3.799 40 5 KHBBRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223392638 571470483 /nfs/dbraw/zinc/47/04/83/571470483.db2.gz CWZNMNUWHOYZJU-SANMLTNESA-N 0 0 598.678 3.669 40 5 KHBBRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223392700 571470453 /nfs/dbraw/zinc/47/04/53/571470453.db2.gz CWZNMNUWHOYZJU-AREMUKBSSA-N 0 0 598.678 3.669 40 5 KHBBRN CS(=O)(=O)N(CCCC(=O)Nc1nnc(SCc2ccccc2)s1)c1cccc([N+](=O)[O-])c1 ZINC000223402367 571472045 /nfs/dbraw/zinc/47/20/45/571472045.db2.gz GTSPRHGCDYTWHN-UHFFFAOYSA-N 0 0 507.619 3.924 40 5 KHBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223433493 571475806 /nfs/dbraw/zinc/47/58/06/571475806.db2.gz FCNXUANPFLJCGR-NRFANRHFSA-N 0 0 536.626 3.530 40 5 KHBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223433552 571475800 /nfs/dbraw/zinc/47/58/00/571475800.db2.gz FCNXUANPFLJCGR-OAQYLSRUSA-N 0 0 536.626 3.530 40 5 KHBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223435829 571476275 /nfs/dbraw/zinc/47/62/75/571476275.db2.gz KGESQHBQAXYQTK-SANMLTNESA-N 0 0 598.678 3.669 40 5 KHBBRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223435888 571476205 /nfs/dbraw/zinc/47/62/05/571476205.db2.gz KGESQHBQAXYQTK-AREMUKBSSA-N 0 0 598.678 3.669 40 5 KHBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223437607 571476428 /nfs/dbraw/zinc/47/64/28/571476428.db2.gz OHUXCUXJRFSOOE-AREMUKBSSA-N 0 0 570.643 3.585 40 5 KHBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223437665 571476507 /nfs/dbraw/zinc/47/65/07/571476507.db2.gz OHUXCUXJRFSOOE-SANMLTNESA-N 0 0 570.643 3.585 40 5 KHBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223447233 571478057 /nfs/dbraw/zinc/47/80/57/571478057.db2.gz NZCYTBDJAGCSTG-XMMPIXPASA-N 0 0 509.534 3.898 40 5 KHBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223447279 571478012 /nfs/dbraw/zinc/47/80/12/571478012.db2.gz NZCYTBDJAGCSTG-DEOSSOPVSA-N 0 0 509.534 3.898 40 5 KHBBRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223478869 571483983 /nfs/dbraw/zinc/48/39/83/571483983.db2.gz WAVMGSIEDVKNKC-SANMLTNESA-N 0 0 582.679 3.703 40 5 KHBBRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223478928 571483992 /nfs/dbraw/zinc/48/39/92/571483992.db2.gz WAVMGSIEDVKNKC-AREMUKBSSA-N 0 0 582.679 3.703 40 5 KHBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223482426 571484571 /nfs/dbraw/zinc/48/45/71/571484571.db2.gz UJSDVQPCZFZHGW-AREMUKBSSA-N 0 0 570.643 3.585 40 5 KHBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223482479 571484557 /nfs/dbraw/zinc/48/45/57/571484557.db2.gz UJSDVQPCZFZHGW-SANMLTNESA-N 0 0 570.643 3.585 40 5 KHBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223492060 571486368 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CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223573359 571505445 /nfs/dbraw/zinc/50/54/45/571505445.db2.gz USPZJIRHNJOJAF-VWLOTQADSA-N 0 0 647.548 3.908 40 5 KHBBRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223601371 571511212 /nfs/dbraw/zinc/51/12/12/571511212.db2.gz RJBUYYDKRIZTCC-OAQYLSRUSA-N 0 0 538.626 3.652 40 5 KHBBRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223601430 571511310 /nfs/dbraw/zinc/51/13/10/571511310.db2.gz RJBUYYDKRIZTCC-NRFANRHFSA-N 0 0 538.626 3.652 40 5 KHBBRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223601524 571511240 /nfs/dbraw/zinc/51/12/40/571511240.db2.gz OURSATVIEVLIAW-OAQYLSRUSA-N 0 0 538.626 3.652 40 5 KHBBRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223601580 571511228 /nfs/dbraw/zinc/51/12/28/571511228.db2.gz OURSATVIEVLIAW-NRFANRHFSA-N 0 0 538.626 3.652 40 5 KHBBRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223612827 571513895 /nfs/dbraw/zinc/51/38/95/571513895.db2.gz JNYKQPSZEOAZJD-JOCHJYFZSA-N 0 0 582.679 3.969 40 5 KHBBRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223612892 571513910 /nfs/dbraw/zinc/51/39/10/571513910.db2.gz JNYKQPSZEOAZJD-QFIPXVFZSA-N 0 0 582.679 3.969 40 5 KHBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223639377 571518564 /nfs/dbraw/zinc/51/85/64/571518564.db2.gz NSDUTNJDUNHYDM-HSZRJFAPSA-N 0 0 532.663 3.701 40 5 KHBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223639435 571518481 /nfs/dbraw/zinc/51/84/81/571518481.db2.gz NSDUTNJDUNHYDM-QHCPKHFHSA-N 0 0 532.663 3.701 40 5 KHBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223645695 571519789 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507.609 3.641 40 5 KHBBRN CC[C@H](C(=O)NCCOc1ccccc1C(C)(C)C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223726983 571533534 /nfs/dbraw/zinc/53/35/34/571533534.db2.gz CGIYPHMYJQOQDL-LJQANCHMSA-N 0 0 507.609 3.641 40 5 KHBBRN COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCOc1ccccc1C(C)(C)C)S(C)(=O)=O ZINC000223728267 571533903 /nfs/dbraw/zinc/53/39/03/571533903.db2.gz LXSSZJWWLCOLIG-UHFFFAOYSA-N 0 0 507.609 3.642 40 5 KHBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223731505 571534490 /nfs/dbraw/zinc/53/44/90/571534490.db2.gz FVPBXSLSBPIWGQ-HSZRJFAPSA-N 0 0 532.663 3.701 40 5 KHBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223731568 571534376 /nfs/dbraw/zinc/53/43/76/571534376.db2.gz FVPBXSLSBPIWGQ-QHCPKHFHSA-N 0 0 532.663 3.701 40 5 KHBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223734428 571534989 /nfs/dbraw/zinc/53/49/89/571534989.db2.gz 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/nfs/dbraw/zinc/54/13/28/571541328.db2.gz ITIPPUWBFSHYHO-QFIPXVFZSA-N 0 0 539.054 3.738 40 5 KHBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223771325 571541463 /nfs/dbraw/zinc/54/14/63/571541463.db2.gz JWTNSPWUWNZHSB-RUZDIDTESA-N 0 0 521.570 3.767 40 5 KHBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223771376 571541453 /nfs/dbraw/zinc/54/14/53/571541453.db2.gz JWTNSPWUWNZHSB-VWLOTQADSA-N 0 0 521.570 3.767 40 5 KHBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223773725 571541830 /nfs/dbraw/zinc/54/18/30/571541830.db2.gz DEUWZUCRZOEHJF-OAQYLSRUSA-N 0 0 569.080 3.747 40 5 KHBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223773779 571541810 /nfs/dbraw/zinc/54/18/10/571541810.db2.gz DEUWZUCRZOEHJF-NRFANRHFSA-N 0 0 569.080 3.747 40 5 KHBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223790601 571544688 /nfs/dbraw/zinc/54/46/88/571544688.db2.gz ACBWUUDLDAOIQA-HXUWFJFHSA-N 0 0 586.642 3.800 40 5 KHBBRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223790659 571544686 /nfs/dbraw/zinc/54/46/86/571544686.db2.gz ACBWUUDLDAOIQA-FQEVSTJZSA-N 0 0 586.642 3.800 40 5 KHBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223805178 571548947 /nfs/dbraw/zinc/54/89/47/571548947.db2.gz WBTMSTCEFRKTCC-JOCHJYFZSA-N 0 0 539.054 3.738 40 5 KHBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223805190 571548948 /nfs/dbraw/zinc/54/89/48/571548948.db2.gz WBTMSTCEFRKTCC-QFIPXVFZSA-N 0 0 539.054 3.738 40 5 KHBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223805815 571549228 /nfs/dbraw/zinc/54/92/28/571549228.db2.gz KFXFNTGRUGVHOQ-OAQYLSRUSA-N 0 0 569.080 3.747 40 5 KHBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223805822 571549193 /nfs/dbraw/zinc/54/91/93/571549193.db2.gz KFXFNTGRUGVHOQ-NRFANRHFSA-N 0 0 569.080 3.747 40 5 KHBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223814844 571553353 /nfs/dbraw/zinc/55/33/53/571553353.db2.gz CRAOUPVLEBRGTJ-JOCHJYFZSA-N 0 0 536.626 3.532 40 5 KHBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223814851 571553318 /nfs/dbraw/zinc/55/33/18/571553318.db2.gz CRAOUPVLEBRGTJ-QFIPXVFZSA-N 0 0 536.626 3.532 40 5 KHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000223819570 571555439 /nfs/dbraw/zinc/55/54/39/571555439.db2.gz SNNZVQILFFWPTM-SFHVURJKSA-N 0 0 551.065 3.799 40 5 KHBBRN COc1ccc(-c2nnc(NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccccc3)s2)cc1 ZINC000223824242 571556868 /nfs/dbraw/zinc/55/68/68/571556868.db2.gz DOMIQNIAMGAEGK-UHFFFAOYSA-N 0 0 525.568 3.956 40 5 KHBBRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223851328 571561698 /nfs/dbraw/zinc/56/16/98/571561698.db2.gz WCLCNSGGKMGJON-HXUWFJFHSA-N 0 0 556.616 3.873 40 5 KHBBRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223851383 571561645 /nfs/dbraw/zinc/56/16/45/571561645.db2.gz WCLCNSGGKMGJON-FQEVSTJZSA-N 0 0 556.616 3.873 40 5 KHBBRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223851471 571561733 /nfs/dbraw/zinc/56/17/33/571561733.db2.gz ZRHLQTGIZSNPID-HXUWFJFHSA-N 0 0 556.616 3.873 40 5 KHBBRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223851533 571561677 /nfs/dbraw/zinc/56/16/77/571561677.db2.gz ZRHLQTGIZSNPID-FQEVSTJZSA-N 0 0 556.616 3.873 40 5 KHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000223852214 571561880 /nfs/dbraw/zinc/56/18/80/571561880.db2.gz AWQCSILJLXWTNK-SFHVURJKSA-N 0 0 551.065 3.799 40 5 KHBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223862376 571563713 /nfs/dbraw/zinc/56/37/13/571563713.db2.gz MCOIUJCHHOHIMG-OAHLLOKOSA-N 0 0 545.445 3.529 40 5 KHBBRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223862435 571563856 /nfs/dbraw/zinc/56/38/56/571563856.db2.gz MCOIUJCHHOHIMG-HNNXBMFYSA-N 0 0 545.445 3.529 40 5 KHBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCC1(c2ccccc2)CCOCC1 ZINC000223896774 571570179 /nfs/dbraw/zinc/57/01/79/571570179.db2.gz HLBYQNMUCWEUSK-UHFFFAOYSA-N 0 0 509.584 3.655 40 5 KHBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223905734 571572166 /nfs/dbraw/zinc/57/21/66/571572166.db2.gz RXISHZNBVLQDQU-OAHLLOKOSA-N 0 0 545.445 3.529 40 5 KHBBRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223905787 571572178 /nfs/dbraw/zinc/57/21/78/571572178.db2.gz RXISHZNBVLQDQU-HNNXBMFYSA-N 0 0 545.445 3.529 40 5 KHBBRN COc1ccc(N(CC(=O)NCCOc2cccc(C)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000223913212 571573965 /nfs/dbraw/zinc/57/39/65/571573965.db2.gz AIZJUWXUVRXVBV-UHFFFAOYSA-N 0 0 527.599 3.919 40 5 KHBBRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223926045 571576826 /nfs/dbraw/zinc/57/68/26/571576826.db2.gz AAUSCEXPWDFQGD-OAHLLOKOSA-N 0 0 508.369 3.688 40 5 KHBBRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223926109 571576784 /nfs/dbraw/zinc/57/67/84/571576784.db2.gz AAUSCEXPWDFQGD-HNNXBMFYSA-N 0 0 508.369 3.688 40 5 KHBBRN CC[C@@H](C(=O)Nc1nnc(SCc2ccccc2)s1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223944629 571580703 /nfs/dbraw/zinc/58/07/03/571580703.db2.gz PURXPQCGXOAJGF-KRWDZBQOSA-N 0 0 507.619 3.922 40 5 KHBBRN CC[C@H](C(=O)Nc1nnc(SCc2ccccc2)s1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223944682 571580697 /nfs/dbraw/zinc/58/06/97/571580697.db2.gz PURXPQCGXOAJGF-QGZVFWFLSA-N 0 0 507.619 3.922 40 5 KHBBRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223950063 571581809 /nfs/dbraw/zinc/58/18/09/571581809.db2.gz QXMKPANAVRACDR-OAHLLOKOSA-N 0 0 545.445 3.529 40 5 KHBBRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223950116 571581946 /nfs/dbraw/zinc/58/19/46/571581946.db2.gz QXMKPANAVRACDR-HNNXBMFYSA-N 0 0 545.445 3.529 40 5 KHBBRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223970963 571586106 /nfs/dbraw/zinc/58/61/06/571586106.db2.gz XXSXBUIFZWDZQW-OAHLLOKOSA-N 0 0 508.369 3.688 40 5 KHBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223971011 571586195 /nfs/dbraw/zinc/58/61/95/571586195.db2.gz XXSXBUIFZWDZQW-HNNXBMFYSA-N 0 0 508.369 3.688 40 5 KHBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1C=CC2(c2ccccc2)[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]21 ZINC000223979332 571587776 /nfs/dbraw/zinc/58/77/76/571587776.db2.gz GTPYJKMRCMYSKN-AAYQPJGPSA-N 0 0 564.510 3.552 40 5 KHBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1(c3ccccc3)C=CC2[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21 ZINC000223979394 571587780 /nfs/dbraw/zinc/58/77/80/571587780.db2.gz GTPYJKMRCMYSKN-ZLNNDXDCSA-N 0 0 564.510 3.552 40 5 KHBBRN O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1(c3ccccc3)C=CC2[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21 ZINC000223979455 571587904 /nfs/dbraw/zinc/58/79/04/571587904.db2.gz GTPYJKMRCMYSKN-NWQDEQPCSA-N 0 0 564.510 3.552 40 5 KHBBRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223984452 571588964 /nfs/dbraw/zinc/58/89/64/571588964.db2.gz WRFBPBBZTVLAQS-OAQYLSRUSA-N 0 0 598.678 3.669 40 5 KHBBRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223984505 571588887 /nfs/dbraw/zinc/58/88/87/571588887.db2.gz WRFBPBBZTVLAQS-NRFANRHFSA-N 0 0 598.678 3.669 40 5 KHBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223986743 571589587 /nfs/dbraw/zinc/58/95/87/571589587.db2.gz QQOXJKFVFMBFDQ-SKCUWOTOSA-N 0 0 596.706 3.924 40 5 KHBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223986795 571589596 /nfs/dbraw/zinc/58/95/96/571589596.db2.gz QQOXJKFVFMBFDQ-RBISFHTESA-N 0 0 596.706 3.924 40 5 KHBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223990554 571590404 /nfs/dbraw/zinc/59/04/04/571590404.db2.gz MVHQVGJWFMXCNR-SKCUWOTOSA-N 0 0 626.732 3.933 40 5 KHBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223990609 571590414 /nfs/dbraw/zinc/59/04/14/571590414.db2.gz MVHQVGJWFMXCNR-RBISFHTESA-N 0 0 626.732 3.933 40 5 KHBBRN COc1ccc(N(CC(=O)NCCOc2cc(C)ccc2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000223993597 571591200 /nfs/dbraw/zinc/59/12/00/571591200.db2.gz LQAJMQJAFWNECV-UHFFFAOYSA-N 0 0 527.599 3.919 40 5 KHBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223999514 571592740 /nfs/dbraw/zinc/59/27/40/571592740.db2.gz AMWXMAJFTMWXPM-AREMUKBSSA-N 0 0 552.653 3.527 40 5 KHBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223999573 571592727 /nfs/dbraw/zinc/59/27/27/571592727.db2.gz AMWXMAJFTMWXPM-SANMLTNESA-N 0 0 552.653 3.527 40 5 KHBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224003267 571593431 /nfs/dbraw/zinc/59/34/31/571593431.db2.gz ROJCTKSIWHPHEP-AREMUKBSSA-N 0 0 582.679 3.536 40 5 KHBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224003323 571593524 /nfs/dbraw/zinc/59/35/24/571593524.db2.gz ROJCTKSIWHPHEP-SANMLTNESA-N 0 0 582.679 3.536 40 5 KHBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224006862 571594017 /nfs/dbraw/zinc/59/40/17/571594017.db2.gz KJPCPIBRFDVRMC-HHHXNRCGSA-N 0 0 566.680 3.836 40 5 KHBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224006915 571594089 /nfs/dbraw/zinc/59/40/89/571594089.db2.gz KJPCPIBRFDVRMC-MHZLTWQESA-N 0 0 566.680 3.836 40 5 KHBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224026563 571597573 /nfs/dbraw/zinc/59/75/73/571597573.db2.gz WHNRDOCWSAVZKN-OAQYLSRUSA-N 0 0 598.678 3.669 40 5 KHBBRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224026617 571597683 /nfs/dbraw/zinc/59/76/83/571597683.db2.gz WHNRDOCWSAVZKN-NRFANRHFSA-N 0 0 598.678 3.669 40 5 KHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000224038638 571600132 /nfs/dbraw/zinc/60/01/32/571600132.db2.gz ZBDHPDPVOJLTMM-KRWDZBQOSA-N 0 0 539.054 3.655 40 5 KHBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224044225 571600995 /nfs/dbraw/zinc/60/09/95/571600995.db2.gz NXDTVBWDHDHCJE-HHHXNRCGSA-N 0 0 566.680 3.836 40 5 KHBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224044285 571601065 /nfs/dbraw/zinc/60/10/65/571601065.db2.gz NXDTVBWDHDHCJE-MHZLTWQESA-N 0 0 566.680 3.836 40 5 KHBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224048045 571601873 /nfs/dbraw/zinc/60/18/73/571601873.db2.gz RFPNBKHBNPAOBU-HHHXNRCGSA-N 0 0 596.706 3.844 40 5 KHBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224048098 571601901 /nfs/dbraw/zinc/60/19/01/571601901.db2.gz RFPNBKHBNPAOBU-MHZLTWQESA-N 0 0 596.706 3.844 40 5 KHBBRN COc1ccc(N(CC(=O)NCCOc2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224066158 571605497 /nfs/dbraw/zinc/60/54/97/571605497.db2.gz UOJSXMCKFNEISB-UHFFFAOYSA-N 0 0 527.599 3.919 40 5 KHBBRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224069104 571605999 /nfs/dbraw/zinc/60/59/99/571605999.db2.gz CCVYWDWBFIVOER-JOCHJYFZSA-N 0 0 582.679 3.703 40 5 KHBBRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224069163 571606012 /nfs/dbraw/zinc/60/60/12/571606012.db2.gz CCVYWDWBFIVOER-QFIPXVFZSA-N 0 0 582.679 3.703 40 5 KHBBRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224082129 571607475 /nfs/dbraw/zinc/60/74/75/571607475.db2.gz OMMJOBBDCBTFKN-JOCHJYFZSA-N 0 0 552.653 3.980 40 5 KHBBRN 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QWPDQQKDJJPSJI-MHZLTWQESA-N 0 0 566.680 3.836 40 5 KHBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224091642 571608734 /nfs/dbraw/zinc/60/87/34/571608734.db2.gz UANXHCJARVHFHN-HHHXNRCGSA-N 0 0 596.706 3.844 40 5 KHBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224091696 571608760 /nfs/dbraw/zinc/60/87/60/571608760.db2.gz UANXHCJARVHFHN-MHZLTWQESA-N 0 0 596.706 3.844 40 5 KHBBRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224100983 571610136 /nfs/dbraw/zinc/61/01/36/571610136.db2.gz UMJOITJTYMGKCP-RUZDIDTESA-N 0 0 538.626 3.734 40 5 KHBBRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224101033 571610083 /nfs/dbraw/zinc/61/00/83/571610083.db2.gz UMJOITJTYMGKCP-VWLOTQADSA-N 0 0 538.626 3.734 40 5 KHBBRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224101106 571610138 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571483050 /nfs/dbraw/zinc/48/30/50/571483050.db2.gz WRLDNDXZDOOXHQ-HHHXNRCGSA-N 0 0 566.680 3.836 40 5 KHBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224132759 571482986 /nfs/dbraw/zinc/48/29/86/571482986.db2.gz WRLDNDXZDOOXHQ-MHZLTWQESA-N 0 0 566.680 3.836 40 5 KHBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224136425 571483865 /nfs/dbraw/zinc/48/38/65/571483865.db2.gz GMCMZAUNQRTJJZ-HHHXNRCGSA-N 0 0 596.706 3.844 40 5 KHBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224136486 571483893 /nfs/dbraw/zinc/48/38/93/571483893.db2.gz GMCMZAUNQRTJJZ-MHZLTWQESA-N 0 0 596.706 3.844 40 5 KHBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224139963 571484796 /nfs/dbraw/zinc/48/47/96/571484796.db2.gz SOTGBFPJUBMHRG-QHCPKHFHSA-N 0 0 530.647 3.535 40 5 KHBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224140016 571484719 /nfs/dbraw/zinc/48/47/19/571484719.db2.gz SOTGBFPJUBMHRG-HSZRJFAPSA-N 0 0 530.647 3.535 40 5 KHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000224143923 571485519 /nfs/dbraw/zinc/48/55/19/571485519.db2.gz GMANMALVCUIXBK-KRWDZBQOSA-N 0 0 583.505 3.764 40 5 KHBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224174645 571490936 /nfs/dbraw/zinc/49/09/36/571490936.db2.gz AGMGTCVXDMGYMR-AREMUKBSSA-N 0 0 566.680 3.916 40 5 KHBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224174696 571490880 /nfs/dbraw/zinc/49/08/80/571490880.db2.gz AGMGTCVXDMGYMR-SANMLTNESA-N 0 0 566.680 3.916 40 5 KHBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224176239 571491316 /nfs/dbraw/zinc/49/13/16/571491316.db2.gz BQQYDGVAXWPBCD-DEOSSOPVSA-N 0 0 530.647 3.535 40 5 KHBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224176293 571491302 /nfs/dbraw/zinc/49/13/02/571491302.db2.gz BQQYDGVAXWPBCD-XMMPIXPASA-N 0 0 530.647 3.535 40 5 KHBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000224177659 571491496 /nfs/dbraw/zinc/49/14/96/571491496.db2.gz XENSHEGMECIELE-SANMLTNESA-N 0 0 596.706 3.924 40 5 KHBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224179855 571491753 /nfs/dbraw/zinc/49/17/53/571491753.db2.gz MLJBGEIKAOJFPN-QHCPKHFHSA-N 0 0 560.673 3.544 40 5 KHBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224179911 571491737 /nfs/dbraw/zinc/49/17/37/571491737.db2.gz MLJBGEIKAOJFPN-HSZRJFAPSA-N 0 0 560.673 3.544 40 5 KHBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224182928 571492252 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CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224222819 571500521 /nfs/dbraw/zinc/50/05/21/571500521.db2.gz OQBSPENIYHOAJQ-HSZRJFAPSA-N 0 0 560.673 3.544 40 5 KHBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224225770 571501006 /nfs/dbraw/zinc/50/10/06/571501006.db2.gz CLADPSQYNKWVFF-DEOSSOPVSA-N 0 0 544.674 3.844 40 5 KHBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224225831 571501254 /nfs/dbraw/zinc/50/12/54/571501254.db2.gz CLADPSQYNKWVFF-XMMPIXPASA-N 0 0 544.674 3.844 40 5 KHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000224229336 571501775 /nfs/dbraw/zinc/50/17/75/571501775.db2.gz KPIYSFQSTCGNGQ-SFHVURJKSA-N 0 0 539.054 3.512 40 5 KHBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224262031 571508917 /nfs/dbraw/zinc/50/89/17/571508917.db2.gz 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544.674 3.844 40 5 KHBBRN COc1cc(OCC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000224701200 571606674 /nfs/dbraw/zinc/60/66/74/571606674.db2.gz WBPLXYXMIKVPCL-HNNXBMFYSA-N 0 0 508.369 3.687 40 5 KHBBRN COc1cc(OCC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000224701252 571606748 /nfs/dbraw/zinc/60/67/48/571606748.db2.gz WBPLXYXMIKVPCL-OAHLLOKOSA-N 0 0 508.369 3.687 40 5 KHBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224716880 571609324 /nfs/dbraw/zinc/60/93/24/571609324.db2.gz MTNXAZNGDABJJH-KRWDZBQOSA-N 0 0 581.489 3.599 40 5 KHBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224716928 571609394 /nfs/dbraw/zinc/60/93/94/571609394.db2.gz MTNXAZNGDABJJH-QGZVFWFLSA-N 0 0 581.489 3.599 40 5 KHBBRN Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)c1 ZINC000224716988 571609454 /nfs/dbraw/zinc/60/94/54/571609454.db2.gz OVLFKAMAERTQSX-FQEVSTJZSA-N 0 0 530.647 3.535 40 5 KHBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000224719113 571609876 /nfs/dbraw/zinc/60/98/76/571609876.db2.gz IOYOSNXCCRRFIO-FQEVSTJZSA-N 0 0 560.673 3.544 40 5 KHBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000224719537 571610042 /nfs/dbraw/zinc/61/00/42/571610042.db2.gz DVRXWDDMABERFN-KRWDZBQOSA-N 0 0 611.515 3.608 40 5 KHBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224720797 571610237 /nfs/dbraw/zinc/61/02/37/571610237.db2.gz UWBYEAHTUBHVNK-QFIPXVFZSA-N 0 0 539.054 3.594 40 5 KHBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224720843 571610321 /nfs/dbraw/zinc/61/03/21/571610321.db2.gz UWBYEAHTUBHVNK-JOCHJYFZSA-N 0 0 539.054 3.594 40 5 KHBBRN Cc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)c1 ZINC000224720848 571610342 /nfs/dbraw/zinc/61/03/42/571610342.db2.gz CIYRVGTUIHRETC-NRFANRHFSA-N 0 0 544.674 3.844 40 5 KHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000224721788 571610368 /nfs/dbraw/zinc/61/03/68/571610368.db2.gz KUMLMWRFYFYCAF-SFHVURJKSA-N 0 0 595.516 3.908 40 5 KHBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224723832 571610930 /nfs/dbraw/zinc/61/09/30/571610930.db2.gz YMBYMPOBXLHPAE-NRFANRHFSA-N 0 0 569.080 3.602 40 5 KHBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224723880 571610903 /nfs/dbraw/zinc/61/09/03/571610903.db2.gz YMBYMPOBXLHPAE-OAQYLSRUSA-N 0 0 569.080 3.602 40 5 KHBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224726382 571611428 /nfs/dbraw/zinc/61/14/28/571611428.db2.gz UDKCQUVXWGTXKO-QFIPXVFZSA-N 0 0 553.081 3.902 40 5 KHBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224726434 571611505 /nfs/dbraw/zinc/61/15/05/571611505.db2.gz UDKCQUVXWGTXKO-JOCHJYFZSA-N 0 0 553.081 3.902 40 5 KHBBRN COc1cc(OCC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000224731861 571612156 /nfs/dbraw/zinc/61/21/56/571612156.db2.gz SCOLVUBQMWOQJC-HNNXBMFYSA-N 0 0 508.369 3.687 40 5 KHBBRN COc1cc(OCC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000224731901 571612163 /nfs/dbraw/zinc/61/21/63/571612163.db2.gz SCOLVUBQMWOQJC-OAHLLOKOSA-N 0 0 508.369 3.687 40 5 KHBBRN Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224744341 571613102 /nfs/dbraw/zinc/61/31/02/571613102.db2.gz JKUSJJONMJDCMD-FQEVSTJZSA-N 0 0 530.647 3.535 40 5 KHBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000224746393 571613279 /nfs/dbraw/zinc/61/32/79/571613279.db2.gz HTLSHCTVKUDCDK-FQEVSTJZSA-N 0 0 560.673 3.544 40 5 KHBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224746863 571613340 /nfs/dbraw/zinc/61/33/40/571613340.db2.gz AZNKOJDFFKLEPF-KRWDZBQOSA-N 0 0 581.489 3.599 40 5 KHBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224746911 571613321 /nfs/dbraw/zinc/61/33/21/571613321.db2.gz AZNKOJDFFKLEPF-QGZVFWFLSA-N 0 0 581.489 3.599 40 5 KHBBRN Cc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224748104 571613508 /nfs/dbraw/zinc/61/35/08/571613508.db2.gz LNWMXHNVHZWUHD-NRFANRHFSA-N 0 0 544.674 3.844 40 5 KHBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000224749257 571613620 /nfs/dbraw/zinc/61/36/20/571613620.db2.gz BJMWTOXHESUEQU-KRWDZBQOSA-N 0 0 611.515 3.608 40 5 KHBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224750562 571613771 /nfs/dbraw/zinc/61/37/71/571613771.db2.gz AOVXHDZEWDPRNP-AREMUKBSSA-N 0 0 552.653 3.526 40 5 KHBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224750605 571613764 /nfs/dbraw/zinc/61/37/64/571613764.db2.gz AOVXHDZEWDPRNP-SANMLTNESA-N 0 0 552.653 3.526 40 5 KHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000224751309 571613884 /nfs/dbraw/zinc/61/38/84/571613884.db2.gz MVZWGDNYSPEZHH-SFHVURJKSA-N 0 0 595.516 3.908 40 5 KHBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1nnc(SCc2ccccc2)s1)S(C)(=O)=O ZINC000224751413 571613879 /nfs/dbraw/zinc/61/38/79/571613879.db2.gz QVLPYFCUZYJCDE-AWEZNQCLSA-N 0 0 507.619 3.840 40 5 KHBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O ZINC000224753083 571614039 /nfs/dbraw/zinc/61/40/39/571614039.db2.gz JCQGUYCNFCGDNB-SANMLTNESA-N 0 0 582.679 3.534 40 5 KHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O ZINC000224755242 571614235 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ZINC000224853299 571623354 /nfs/dbraw/zinc/62/33/54/571623354.db2.gz IIHUNSUIWQAJGD-HXUWFJFHSA-N 0 0 556.616 3.873 40 5 KHBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224853345 571623332 /nfs/dbraw/zinc/62/33/32/571623332.db2.gz IIHUNSUIWQAJGD-FQEVSTJZSA-N 0 0 556.616 3.873 40 5 KHBBRN CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224853390 571623371 /nfs/dbraw/zinc/62/33/71/571623371.db2.gz RZOKRQZREMXCGO-HXUWFJFHSA-N 0 0 556.616 3.873 40 5 KHBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224853419 571623391 /nfs/dbraw/zinc/62/33/91/571623391.db2.gz RZOKRQZREMXCGO-FQEVSTJZSA-N 0 0 556.616 3.873 40 5 KHBBRN COc1ccccc1OCCNC(=O)c1ccc(CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000224856189 571623637 /nfs/dbraw/zinc/62/36/37/571623637.db2.gz FTYUCEXCSUYVQV-UHFFFAOYSA-N 0 0 513.572 3.687 40 5 KHBBRN COc1cccc(OCCNC(=O)c2ccc(CN(c3cc([N+](=O)[O-])ccc3C)S(C)(=O)=O)cc2)c1 ZINC000224856384 571623691 /nfs/dbraw/zinc/62/36/91/571623691.db2.gz SISILNDZFCASKA-UHFFFAOYSA-N 0 0 513.572 3.687 40 5 KHBBRN COc1ccc(OCCNC(=O)c2ccc(CN(c3cc([N+](=O)[O-])ccc3C)S(C)(=O)=O)cc2)cc1 ZINC000224856440 571623675 /nfs/dbraw/zinc/62/36/75/571623675.db2.gz XDQVXZVVMVDDOD-UHFFFAOYSA-N 0 0 513.572 3.687 40 5 KHBBRN COc1ccc(CNC(=O)c2ccc(CN(c3cc([N+](=O)[O-])ccc3C)S(C)(=O)=O)cc2)cc1OC ZINC000224856503 571623681 /nfs/dbraw/zinc/62/36/81/571623681.db2.gz VHQQABJCXGFNRD-UHFFFAOYSA-N 0 0 513.572 3.817 40 5 KHBBRN Cc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)NCCOc2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000224856937 571623765 /nfs/dbraw/zinc/62/37/65/571623765.db2.gz ISDBFDDCDBHNNZ-UHFFFAOYSA-N 0 0 501.536 3.817 40 5 KHBBRN COc1ccccc1OCCNC(=O)c1ccc(CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 ZINC000224863273 571624418 /nfs/dbraw/zinc/62/44/18/571624418.db2.gz PIXUDUYKBWBUQD-UHFFFAOYSA-N 0 0 513.572 3.687 40 5 KHBBRN COc1cccc(OCCNC(=O)c2ccc(CN(c3cccc([N+](=O)[O-])c3C)S(C)(=O)=O)cc2)c1 ZINC000224863476 571624398 /nfs/dbraw/zinc/62/43/98/571624398.db2.gz MGXAHIMCUIAKDP-UHFFFAOYSA-N 0 0 513.572 3.687 40 5 KHBBRN COc1ccc(OCCNC(=O)c2ccc(CN(c3cccc([N+](=O)[O-])c3C)S(C)(=O)=O)cc2)cc1 ZINC000224863543 571624401 /nfs/dbraw/zinc/62/44/01/571624401.db2.gz UIAUQHVQLYBTPI-UHFFFAOYSA-N 0 0 513.572 3.687 40 5 KHBBRN COc1ccc(CNC(=O)c2ccc(CN(c3cccc([N+](=O)[O-])c3C)S(C)(=O)=O)cc2)cc1OC ZINC000224863604 571624420 /nfs/dbraw/zinc/62/44/20/571624420.db2.gz KUZHAQHTNJZGTD-UHFFFAOYSA-N 0 0 513.572 3.817 40 5 KHBBRN Cc1c(N(Cc2ccc(C(=O)NCCOc3ccc(F)cc3)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000224864037 571624494 /nfs/dbraw/zinc/62/44/94/571624494.db2.gz ZFHLCVZHLIQORU-UHFFFAOYSA-N 0 0 501.536 3.817 40 5 KHBBRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224896515 571627795 /nfs/dbraw/zinc/62/77/95/571627795.db2.gz RHYRIGLLGJGTFS-OAHLLOKOSA-N 0 0 545.445 3.611 40 5 KHBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224896556 571627817 /nfs/dbraw/zinc/62/78/17/571627817.db2.gz RHYRIGLLGJGTFS-HNNXBMFYSA-N 0 0 545.445 3.611 40 5 KHBBRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224899342 571628027 /nfs/dbraw/zinc/62/80/27/571628027.db2.gz KIVICBLZAYARNP-OAHLLOKOSA-N 0 0 575.471 3.620 40 5 KHBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224899384 571628082 /nfs/dbraw/zinc/62/80/82/571628082.db2.gz KIVICBLZAYARNP-HNNXBMFYSA-N 0 0 575.471 3.620 40 5 KHBBRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224901652 571628288 /nfs/dbraw/zinc/62/82/88/571628288.db2.gz JNFVSOMBUIEXSP-MRXNPFEDSA-N 0 0 559.472 3.920 40 5 KHBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224901699 571628312 /nfs/dbraw/zinc/62/83/12/571628312.db2.gz JNFVSOMBUIEXSP-INIZCTEOSA-N 0 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LLVZSYCEPYJQJV-OAHLLOKOSA-N 0 0 575.471 3.620 40 5 KHBBRN CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224964201 571634535 /nfs/dbraw/zinc/63/45/35/571634535.db2.gz LLVZSYCEPYJQJV-HNNXBMFYSA-N 0 0 575.471 3.620 40 5 KHBBRN CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224966430 571634699 /nfs/dbraw/zinc/63/46/99/571634699.db2.gz YNAGUZNEYZZAPK-MRXNPFEDSA-N 0 0 559.472 3.920 40 5 KHBBRN CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224966475 571634722 /nfs/dbraw/zinc/63/47/22/571634722.db2.gz YNAGUZNEYZZAPK-INIZCTEOSA-N 0 0 559.472 3.920 40 5 KHBBRN COc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224969062 571634960 /nfs/dbraw/zinc/63/49/60/571634960.db2.gz LACSZCTWTIAEDG-FQEVSTJZSA-N 0 0 560.673 3.544 40 5 KHBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224969482 571634997 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CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000261055873 572059328 /nfs/dbraw/zinc/05/93/28/572059328.db2.gz MVHQVGJWFMXCNR-DFHRPNOPSA-N 0 0 626.732 3.933 40 5 KHBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000261055877 572059399 /nfs/dbraw/zinc/05/93/99/572059399.db2.gz MVHQVGJWFMXCNR-DWACAAAGSA-N 0 0 626.732 3.933 40 5 KHBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000261067015 572066540 /nfs/dbraw/zinc/06/65/40/572066540.db2.gz OVYGYIAVHFVNEN-AMGIVPHBSA-N 0 0 566.680 3.916 40 5 KHBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000261067016 572066527 /nfs/dbraw/zinc/06/65/27/572066527.db2.gz OVYGYIAVHFVNEN-CUNXSJBXSA-N 0 0 566.680 3.916 40 5 KHBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000261077146 572073574 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0 0 507.346 3.606 40 5 KHBBRN COc1ccc(C(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1NC(=O)c1sc2nc(C)ccc2c1N ZINC000261527036 572113672 /nfs/dbraw/zinc/11/36/72/572113672.db2.gz WJYDZEFNKUXLRO-UHFFFAOYSA-N 0 0 604.645 3.862 40 5 KHBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000261828294 572114009 /nfs/dbraw/zinc/11/40/09/572114009.db2.gz JSIGVQBKEPFJLY-UHFFFAOYSA-N 0 0 524.540 3.757 40 5 KHBBRN Nc1nc2c(ncn2[C@@H]2O[C@H](COC(=O)c3ccc([N+](=O)[O-])cc3)[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2OC(=O)c2ccc([N+](=O)[O-])cc2)c(=S)[nH]1 ZINC000263607091 1066534797 /nfs/dbraw/zinc/53/47/97/1066534797.db2.gz ROOCKCSKNKTVSV-IFZRMHHFSA-N 0 0 746.627 3.627 40 5 KHBBRN Nc1nc2c(ncn2[C@@H]2O[C@H](COC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2OC(=O)c2ccc([N+](=O)[O-])cc2)c(=S)[nH]1 ZINC000263607092 1066200322 /nfs/dbraw/zinc/20/03/22/1066200322.db2.gz ROOCKCSKNKTVSV-VBHAUSMQSA-N 0 0 746.627 3.627 40 5 KHBBRN Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)c(Cl)c4)C3=O)cc21 ZINC000408527461 572160180 /nfs/dbraw/zinc/16/01/80/572160180.db2.gz DNJDRZUHNSXYSF-FMQZQXMHSA-N 0 0 580.804 3.876 40 5 KHBBRN Cn1c2cc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408528779 572165415 /nfs/dbraw/zinc/16/54/15/572165415.db2.gz HCEMBNCIOZVZDC-IUXPMGMMSA-N 0 0 503.334 3.784 40 5 KHBBRN Cn1c2cc(/C=C3\SC(=O)N(CC(=O)Nc4cccc5ccccc54)C3=O)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408529801 572169973 /nfs/dbraw/zinc/16/99/73/572169973.db2.gz JJSKEMNSGKYTAL-NHDPSOOVSA-N 0 0 517.523 3.613 40 5 KHBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)ccc1Cl ZINC000408533138 572182080 /nfs/dbraw/zinc/18/20/80/572182080.db2.gz PXTPULHHQQHIBQ-UKWGHVSLSA-N 0 0 587.998 3.680 40 5 KHBBRN Cn1c2cc(/C=C3\SC(=O)N(Cc4cccc(Br)c4)C3=O)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408533979 572184827 /nfs/dbraw/zinc/18/48/27/572184827.db2.gz RRDMJDJDTLPDFU-IUXPMGMMSA-N 0 0 503.334 3.784 40 5 KHBBRN Cn1c2cc(/C=C3\SC(=O)N(Cc4ccccc4Br)C3=O)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408534621 572186596 /nfs/dbraw/zinc/18/65/96/572186596.db2.gz TWFHASOKPONELI-IUXPMGMMSA-N 0 0 503.334 3.784 40 5 KHBBRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)cc1 ZINC000408535072 572187498 /nfs/dbraw/zinc/18/74/98/572187498.db2.gz UMXMGKAHFRANRU-JMIUGGIZSA-N 0 0 509.544 3.584 40 5 KHBBRN Cn1c2cc(/C=C3\SC(=O)N(Cc4ccc(I)cc4)C3=O)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408535799 572189781 /nfs/dbraw/zinc/18/97/81/572189781.db2.gz WMWQVYMEHDZYEH-IUXPMGMMSA-N 0 0 550.334 3.626 40 5 KHBBRN O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000408541652 572209246 /nfs/dbraw/zinc/20/92/46/572209246.db2.gz DZZAUVZLPDMKHJ-UHFFFAOYSA-N 0 0 536.401 3.820 40 5 KHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1 ZINC000408541656 572209357 /nfs/dbraw/zinc/20/93/57/572209357.db2.gz CRIQCVSXXRGWCT-UHFFFAOYSA-N 0 0 502.984 3.700 40 5 KHBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)S(C)(=O)=O ZINC000408543459 572212622 /nfs/dbraw/zinc/21/26/22/572212622.db2.gz DQLIEKBTBQBCLJ-UHFFFAOYSA-N 0 0 613.468 3.571 40 5 KHBBRN O=C(CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000408545011 572217413 /nfs/dbraw/zinc/21/74/13/572217413.db2.gz LVUUBIDZRWRCGC-UHFFFAOYSA-N 0 0 506.947 3.531 40 5 KHBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCSCc1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000408546538 572223245 /nfs/dbraw/zinc/22/32/45/572223245.db2.gz FDIAADDFPBCUFL-UHFFFAOYSA-N 0 0 522.432 3.726 40 5 KHBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1)S(C)(=O)=O ZINC000408546832 572223968 /nfs/dbraw/zinc/22/39/68/572223968.db2.gz GRTLZLWDADUPEM-UHFFFAOYSA-N 0 0 583.044 3.771 40 5 KHBBRN COC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000408548328 572228986 /nfs/dbraw/zinc/22/89/86/572228986.db2.gz GJPLYOZVEBIEJB-LZYBPNLTSA-N 0 0 524.711 3.655 40 5 KHBBRN COC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000408548933 572230227 /nfs/dbraw/zinc/23/02/27/572230227.db2.gz NQZXVHZBSDJRTR-LZYBPNLTSA-N 0 0 569.162 3.765 40 5 KHBBRN COC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000408548947 572230392 /nfs/dbraw/zinc/23/03/92/572230392.db2.gz NZUHDVMQCUZHHC-LZYBPNLTSA-N 0 0 569.162 3.765 40 5 KHBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OC ZINC000408564866 572251060 /nfs/dbraw/zinc/25/10/60/572251060.db2.gz GFAZSSQQGCTELO-FTJYFCJYSA-N 0 0 502.365 3.911 40 5 KHBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OC ZINC000408564867 572251096 /nfs/dbraw/zinc/25/10/96/572251096.db2.gz GFAZSSQQGCTELO-GBPFJNKXSA-N 0 0 502.365 3.911 40 5 KHBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OC ZINC000408564869 572251078 /nfs/dbraw/zinc/25/10/78/572251078.db2.gz GFAZSSQQGCTELO-ICGULJKJSA-N 0 0 502.365 3.911 40 5 KHBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OC ZINC000408564870 572251295 /nfs/dbraw/zinc/25/12/95/572251295.db2.gz GFAZSSQQGCTELO-QYAKYFNYSA-N 0 0 502.365 3.911 40 5 KHBBRN CCOc1c(Br)cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc1OC ZINC000408564947 572251307 /nfs/dbraw/zinc/25/13/07/572251307.db2.gz GTSPVZKXLIRLCY-FTJYFCJYSA-N 0 0 502.365 3.911 40 5 KHBBRN CCOc1c(Br)cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc1OC ZINC000408564948 572251215 /nfs/dbraw/zinc/25/12/15/572251215.db2.gz GTSPVZKXLIRLCY-GBPFJNKXSA-N 0 0 502.365 3.911 40 5 KHBBRN CCOc1c(Br)cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc1OC ZINC000408564949 572251330 /nfs/dbraw/zinc/25/13/30/572251330.db2.gz GTSPVZKXLIRLCY-ICGULJKJSA-N 0 0 502.365 3.911 40 5 KHBBRN CCOc1c(Br)cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc1OC ZINC000408564950 572251278 /nfs/dbraw/zinc/25/12/78/572251278.db2.gz GTSPVZKXLIRLCY-QYAKYFNYSA-N 0 0 502.365 3.911 40 5 KHBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(OCC)c(Br)c3)CC2)c([N+](=O)[O-])c1 ZINC000408571316 572256928 /nfs/dbraw/zinc/25/69/28/572256928.db2.gz AEMILVLOIHBLSW-UHFFFAOYSA-N 0 0 565.446 3.770 40 5 KHBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cccc(O[C@@H](C)CC)c3)CC2)c([N+](=O)[O-])c1 ZINC000408571435 572257064 /nfs/dbraw/zinc/25/70/64/572257064.db2.gz BADFMIKXPDYJJY-KRWDZBQOSA-N 0 0 514.604 3.786 40 5 KHBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cccc(O[C@H](C)CC)c3)CC2)c([N+](=O)[O-])c1 ZINC000408571436 572257032 /nfs/dbraw/zinc/25/70/32/572257032.db2.gz BADFMIKXPDYJJY-QGZVFWFLSA-N 0 0 514.604 3.786 40 5 KHBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1 ZINC000408571443 572257051 /nfs/dbraw/zinc/25/70/51/572257051.db2.gz BHMSYZSSZKZTJJ-UHFFFAOYSA-N 0 0 511.535 3.632 40 5 KHBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)c([N+](=O)[O-])c1 ZINC000408571463 572257150 /nfs/dbraw/zinc/25/71/50/572257150.db2.gz BXIUSNCLQSLCFH-UHFFFAOYSA-N 0 0 553.553 3.777 40 5 KHBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)/C=C/c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000408571771 572257376 /nfs/dbraw/zinc/25/73/76/572257376.db2.gz FRTNPCUVKSXRLD-BJMVGYQFSA-N 0 0 502.980 3.661 40 5 KHBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cc(Cl)c(OC)c(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000408571773 572257357 /nfs/dbraw/zinc/25/73/57/572257357.db2.gz FSOLRQZMSZEXQG-UHFFFAOYSA-N 0 0 541.413 3.924 40 5 KHBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3cc(I)ccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000408571801 572257402 /nfs/dbraw/zinc/25/74/02/572257402.db2.gz GBLZAHBQSVKBLP-UHFFFAOYSA-N 0 0 543.745 3.992 40 5 KHBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(OCC)c(Br)c3)CC2)c([N+](=O)[O-])c1 ZINC000408572057 572257573 /nfs/dbraw/zinc/25/75/73/572257573.db2.gz GKZAWBPFIZNYPN-UHFFFAOYSA-N 0 0 506.353 3.895 40 5 KHBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)c([N+](=O)[O-])c1 ZINC000408572107 572257579 /nfs/dbraw/zinc/25/75/79/572257579.db2.gz GUBSCDNBENNSTR-UHFFFAOYSA-N 0 0 514.648 3.901 40 5 KHBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cc4ccccc4cc3OC)CC2)c([N+](=O)[O-])c1 ZINC000408572262 572257692 /nfs/dbraw/zinc/25/76/92/572257692.db2.gz HTTBNVWRAAOHDV-UHFFFAOYSA-N 0 0 522.583 3.770 40 5 KHBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3cc(OCC)c(OCC)c(OCC)c3)CC2)c([N+](=O)[O-])c1 ZINC000408572285 572257651 /nfs/dbraw/zinc/25/76/51/572257651.db2.gz IGFMGZVKGJBWQV-UHFFFAOYSA-N 0 0 515.563 3.930 40 5 KHBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cc(OCC)c(OCC)c(OCC)c3)CC2)c([N+](=O)[O-])c1 ZINC000408572498 572257858 /nfs/dbraw/zinc/25/78/58/572257858.db2.gz IQLBMUJKRHAFAH-UHFFFAOYSA-N 0 0 574.656 3.805 40 5 KHBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3cc(Br)cc(C)c3OC)CC2)c([N+](=O)[O-])c1 ZINC000408573052 572258506 /nfs/dbraw/zinc/25/85/06/572258506.db2.gz LJKCIJNTLRZCCD-UHFFFAOYSA-N 0 0 506.353 3.813 40 5 KHBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cc(I)ccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000408573224 572258621 /nfs/dbraw/zinc/25/86/21/572258621.db2.gz NAPNFDRTKXYKNS-UHFFFAOYSA-N 0 0 602.838 3.866 40 5 KHBBRN O=C(C=Cc1ccc(-c2ccccc2)o1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 ZINC000408573227 572258626 /nfs/dbraw/zinc/25/86/26/572258626.db2.gz NAPTWNXPVDUVSB-DHZHZOJOSA-N 0 0 547.637 3.928 40 5 KHBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cccc(OCC(C)C)c3)CC2)c([N+](=O)[O-])c1 ZINC000408573292 572258695 /nfs/dbraw/zinc/25/86/95/572258695.db2.gz NMZDZAWOQQDTBE-UHFFFAOYSA-N 0 0 514.604 3.643 40 5 KHBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(OCC)c(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000408573758 572259179 /nfs/dbraw/zinc/25/91/79/572259179.db2.gz NZIVRISJAVEOGJ-UHFFFAOYSA-N 0 0 520.995 3.661 40 5 KHBBRN CCCCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc(C(=O)OCC)cc3[N+](=O)[O-])CC2)cc1 ZINC000408573887 572259169 /nfs/dbraw/zinc/25/91/69/572259169.db2.gz PYNGIKXPLCPTCE-UHFFFAOYSA-N 0 0 514.604 3.787 40 5 KHBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cc(Cl)cc(Cl)c3OC)CC2)c([N+](=O)[O-])c1 ZINC000408574426 572259614 /nfs/dbraw/zinc/25/96/14/572259614.db2.gz QMVSTZSVQCKFQG-UHFFFAOYSA-N 0 0 541.413 3.924 40 5 KHBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cc(Cl)ccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000408574433 572259620 /nfs/dbraw/zinc/25/96/20/572259620.db2.gz QNXDEQIXWNBRJI-UHFFFAOYSA-N 0 0 511.387 3.915 40 5 KHBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(OCC(C)C)cc3)CC2)c([N+](=O)[O-])c1 ZINC000408574556 572259742 /nfs/dbraw/zinc/25/97/42/572259742.db2.gz RXYUHCUGSVOSAE-UHFFFAOYSA-N 0 0 514.604 3.643 40 5 KHBBRN CCCCOc1cccc(C(=O)NC(=S)N2CCN(c3ccc(C(=O)OCC)cc3[N+](=O)[O-])CC2)c1 ZINC000408575293 572260431 /nfs/dbraw/zinc/26/04/31/572260431.db2.gz UCFPVQAZXHDNPU-UHFFFAOYSA-N 0 0 514.604 3.787 40 5 KHBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)c([N+](=O)[O-])c1 ZINC000408575437 572260478 /nfs/dbraw/zinc/26/04/78/572260478.db2.gz UYNAOPXDAWSKDZ-UHFFFAOYSA-N 0 0 553.553 3.777 40 5 KHBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000408575487 572260464 /nfs/dbraw/zinc/26/04/64/572260464.db2.gz VDJIIXLFJIBNOL-UHFFFAOYSA-N 0 0 511.387 3.915 40 5 KHBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cc(Br)cc(C)c3OC)CC2)c([N+](=O)[O-])c1 ZINC000408576229 572261182 /nfs/dbraw/zinc/26/11/82/572261182.db2.gz WFMOTDPXGHDXAX-UHFFFAOYSA-N 0 0 565.446 3.688 40 5 KHBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(Cl)cc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000408576287 572261141 /nfs/dbraw/zinc/26/11/41/572261141.db2.gz WYLBTAXMKKSYGX-UHFFFAOYSA-N 0 0 511.387 3.915 40 5 KHBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1 ZINC000408576396 572261231 /nfs/dbraw/zinc/26/12/31/572261231.db2.gz XWJWVXWNJNHYBX-UHFFFAOYSA-N 0 0 570.628 3.507 40 5 KHBBRN CCOC(=O)c1ccc(N2CCN(C(=O)/C=C/c3cc(Br)ccc3OC)CC2)c([N+](=O)[O-])c1 ZINC000408577099 572261764 /nfs/dbraw/zinc/26/17/64/572261764.db2.gz ZZTLOEAJRYVNMH-WEVVVXLNSA-N 0 0 518.364 3.905 40 5 KHBBRN COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000408585157 572266038 /nfs/dbraw/zinc/26/60/38/572266038.db2.gz BQDFEAUSCHKXEJ-UHFFFAOYSA-N 0 0 515.544 3.763 40 5 KHBBRN Cn1c2cc(NC(=O)CSc3nnc(COc4ccc(Cl)cc4Cl)n3C)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408598727 572272058 /nfs/dbraw/zinc/27/20/58/572272058.db2.gz AEILGPHXBCAOAS-UHFFFAOYSA-N 0 0 552.400 3.530 40 5 KHBBRN O=C(COc1ccc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000408602500 572273256 /nfs/dbraw/zinc/27/32/56/572273256.db2.gz BXEFYJSTHMKEJK-FPYGCLRLSA-N 0 0 561.473 3.839 40 5 KHBBRN O=C(COc1ccc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)cc1)Nc1cccc(I)c1 ZINC000408605556 572274463 /nfs/dbraw/zinc/27/44/63/572274463.db2.gz MARHDPHIXSQVSR-RMKNXTFCSA-N 0 0 534.266 3.589 40 5 KHBBRN COc1ccc(Cl)cc1N(CC(=O)N1CC(=O)Nc2ccccc21)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000408609626 572275880 /nfs/dbraw/zinc/27/58/80/572275880.db2.gz PKOGSXCTLXTKFY-UHFFFAOYSA-N 0 0 544.973 3.746 40 5 KHBBRN CC(C)(C)NC(=O)c1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000408612333 572276878 /nfs/dbraw/zinc/27/68/78/572276878.db2.gz UZGBNZAMQZOAFV-UHFFFAOYSA-N 0 0 510.572 3.957 40 5 KHBBRN COC(=O)c1cc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(C(=O)OC)c1 ZINC000408613351 572277261 /nfs/dbraw/zinc/27/72/61/572277261.db2.gz WNHHPYZQWNXXIH-UHFFFAOYSA-N 0 0 606.009 3.972 40 5 KHBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000408613916 572277539 /nfs/dbraw/zinc/27/75/39/572277539.db2.gz YTIREAADUOWERC-UHFFFAOYSA-N 0 0 545.577 3.754 40 5 KHBBRN CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000408616768 572278947 /nfs/dbraw/zinc/27/89/47/572278947.db2.gz BVRFFDCRKQZRRH-UHFFFAOYSA-N 0 0 510.572 3.911 40 5 KHBBRN COCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000408619313 572280605 /nfs/dbraw/zinc/28/06/05/572280605.db2.gz LPKFDNLPHNJEPZ-UHFFFAOYSA-N 0 0 570.624 3.512 40 5 KHBBRN Cc1cccc(N2CCN(C(=O)CN(c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccccc3)CC2)c1C ZINC000408620326 572281138 /nfs/dbraw/zinc/28/11/38/572281138.db2.gz NQYGOPUKSPHGCN-UHFFFAOYSA-N 0 0 508.600 3.756 40 5 KHBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000408620591 572281110 /nfs/dbraw/zinc/28/11/10/572281110.db2.gz POWKMHLRLDAGEX-UHFFFAOYSA-N 0 0 574.015 3.590 40 5 KHBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408621884 572281863 /nfs/dbraw/zinc/28/18/63/572281863.db2.gz PSUOKXXHNFMXKC-DHZHZOJOSA-N 0 0 520.611 3.648 40 5 KHBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000408623683 572282790 /nfs/dbraw/zinc/28/27/90/572282790.db2.gz YPVRPAJXOTZWSF-UHFFFAOYSA-N 0 0 545.577 3.754 40 5 KHBBRN Cc1cccc(N2CCN(C(=O)CN(c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccccc3)CC2)c1C ZINC000408626350 572284024 /nfs/dbraw/zinc/28/40/24/572284024.db2.gz WSPDKBZQYDLJJP-UHFFFAOYSA-N 0 0 508.600 3.756 40 5 KHBBRN CC(C)(C)NC(=O)c1ccccc1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000408629793 572285432 /nfs/dbraw/zinc/28/54/32/572285432.db2.gz HYNGXONHMURUEG-UHFFFAOYSA-N 0 0 510.572 3.957 40 5 KHBBRN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000408629800 572285397 /nfs/dbraw/zinc/28/53/97/572285397.db2.gz IEEDULAWBCRIJP-JOCHJYFZSA-N 0 0 582.635 3.655 40 5 KHBBRN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000408629801 572285361 /nfs/dbraw/zinc/28/53/61/572285361.db2.gz IEEDULAWBCRIJP-QFIPXVFZSA-N 0 0 582.635 3.655 40 5 KHBBRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000408629957 572285641 /nfs/dbraw/zinc/28/56/41/572285641.db2.gz LFBBFCPBZSRSSW-UHFFFAOYSA-N 0 0 573.580 3.550 40 5 KHBBRN CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000408630339 572285995 /nfs/dbraw/zinc/28/59/95/572285995.db2.gz SBCVOWYJPJRJKB-UHFFFAOYSA-N 0 0 510.572 3.911 40 5 KHBBRN COC(=O)c1c(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)sc2c1CCC2 ZINC000408630636 572286309 /nfs/dbraw/zinc/28/63/09/572286309.db2.gz WBXMIQJJQPBIEI-UHFFFAOYSA-N 0 0 515.569 3.766 40 5 KHBBRN COc1cc(OC)cc(-c2nnc(S/C(=C/c3cc([N+](=O)[O-])ccc3N3CC[NH+](C)CC3)C(=O)[O-])o2)c1 ZINC000408630773 572286629 /nfs/dbraw/zinc/28/66/29/572286629.db2.gz AYRBQXOFIDBMPJ-FYJGNVAPSA-N 0 0 527.559 3.632 40 5 KHBBRN CCn1c(S/C(=C/c2cc([N+](=O)[O-])ccc2N2CC[NH+](C)CC2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408633498 572290165 /nfs/dbraw/zinc/29/01/65/572290165.db2.gz NKBSIRIXIYKUPC-HZHRSRAPSA-N 0 0 554.629 3.860 40 5 KHBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408636607 572293509 /nfs/dbraw/zinc/29/35/09/572293509.db2.gz BAJHGLBVWWPOMJ-GOSISDBHSA-N 0 0 533.449 3.501 40 5 KHBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408636608 572293566 /nfs/dbraw/zinc/29/35/66/572293566.db2.gz BAJHGLBVWWPOMJ-SFHVURJKSA-N 0 0 533.449 3.501 40 5 KHBBRN COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)c1 ZINC000408636961 572293957 /nfs/dbraw/zinc/29/39/57/572293957.db2.gz DOWGXIBQVZPAKE-IBGZPJMESA-N 0 0 518.478 3.602 40 5 KHBBRN COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)c1 ZINC000408636962 572293974 /nfs/dbraw/zinc/29/39/74/572293974.db2.gz DOWGXIBQVZPAKE-LJQANCHMSA-N 0 0 518.478 3.602 40 5 KHBBRN CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 ZINC000408637002 572293946 /nfs/dbraw/zinc/29/39/46/572293946.db2.gz FFCBZQLLSSZGBO-NRFANRHFSA-N 0 0 560.515 3.770 40 5 KHBBRN CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 ZINC000408637003 572293969 /nfs/dbraw/zinc/29/39/69/572293969.db2.gz FFCBZQLLSSZGBO-OAQYLSRUSA-N 0 0 560.515 3.770 40 5 KHBBRN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)CCC1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408637742 572294603 /nfs/dbraw/zinc/29/46/03/572294603.db2.gz AYIQKYXTZMVMLW-UHFFFAOYSA-N 0 0 535.896 3.857 40 5 KHBBRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000408638409 572295052 /nfs/dbraw/zinc/29/50/52/572295052.db2.gz CLMWROOSQIDBMI-UHFFFAOYSA-N 0 0 508.830 3.693 40 5 KHBBRN COC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 ZINC000408638885 572295459 /nfs/dbraw/zinc/29/54/59/572295459.db2.gz UOHYBQQWJHKDGR-IBGZPJMESA-N 0 0 518.478 3.953 40 5 KHBBRN COC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 ZINC000408638886 572295453 /nfs/dbraw/zinc/29/54/53/572295453.db2.gz UOHYBQQWJHKDGR-LJQANCHMSA-N 0 0 518.478 3.953 40 5 KHBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)cc1 ZINC000408639469 572295770 /nfs/dbraw/zinc/29/57/70/572295770.db2.gz XLHAUCFOVVCLQG-FQEVSTJZSA-N 0 0 502.479 3.901 40 5 KHBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)cc1 ZINC000408639470 572295813 /nfs/dbraw/zinc/29/58/13/572295813.db2.gz XLHAUCFOVVCLQG-HXUWFJFHSA-N 0 0 502.479 3.901 40 5 KHBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1ccc(Br)cc1 ZINC000408640177 572296298 /nfs/dbraw/zinc/29/62/98/572296298.db2.gz AOZOHQGWOMLYTJ-KDURUIRLSA-N 0 0 512.316 3.549 40 5 KHBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(Br)cc1 ZINC000408640181 572296301 /nfs/dbraw/zinc/29/63/01/572296301.db2.gz AOZOHQGWOMLYTJ-OALUTQOASA-N 0 0 512.316 3.549 40 5 KHBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(Br)cc1 ZINC000408640183 572296294 /nfs/dbraw/zinc/29/62/94/572296294.db2.gz AOZOHQGWOMLYTJ-RTBURBONSA-N 0 0 512.316 3.549 40 5 KHBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Br)cc1 ZINC000408640449 572296452 /nfs/dbraw/zinc/29/64/52/572296452.db2.gz HZQSFRBUMAEUGP-UHFFFAOYSA-N 0 0 553.281 3.802 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(C(=O)OCC(=O)c3ccccc3)cc2)CC1=O ZINC000408640604 572296576 /nfs/dbraw/zinc/29/65/76/572296576.db2.gz JPPZNMJWELSIBX-IBGZPJMESA-N 0 0 517.494 3.635 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(C(=O)OCC(=O)c3ccccc3)cc2)CC1=O ZINC000408640605 572296563 /nfs/dbraw/zinc/29/65/63/572296563.db2.gz JPPZNMJWELSIBX-LJQANCHMSA-N 0 0 517.494 3.635 40 5 KHBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCC1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408641070 572296786 /nfs/dbraw/zinc/29/67/86/572296786.db2.gz JLQATSWCNQPATR-UHFFFAOYSA-N 0 0 518.438 3.684 40 5 KHBBRN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1 ZINC000408641305 572296918 /nfs/dbraw/zinc/29/69/18/572296918.db2.gz CLDQJJNJWFCWRO-CLJLJLNGSA-N 0 0 603.609 3.862 40 5 KHBBRN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1 ZINC000408641306 572296957 /nfs/dbraw/zinc/29/69/57/572296957.db2.gz CLDQJJNJWFCWRO-UIOOFZCWSA-N 0 0 603.609 3.862 40 5 KHBBRN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2)cc1 ZINC000408641309 572296980 /nfs/dbraw/zinc/29/69/80/572296980.db2.gz CLDQJJNJWFCWRO-WMPKNSHKSA-N 0 0 603.609 3.862 40 5 KHBBRN COc1cccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c(C)c3)CC2=O)c1 ZINC000408641486 572297102 /nfs/dbraw/zinc/29/71/02/572297102.db2.gz LXBIWFVBBDRVEE-INIZCTEOSA-N 0 0 515.478 3.671 40 5 KHBBRN COc1cccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c(C)c3)CC2=O)c1 ZINC000408641487 572297094 /nfs/dbraw/zinc/29/70/94/572297094.db2.gz LXBIWFVBBDRVEE-MRXNPFEDSA-N 0 0 515.478 3.671 40 5 KHBBRN CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 ZINC000408641905 572297318 /nfs/dbraw/zinc/29/73/18/572297318.db2.gz DJOXVPLWBCPTHU-FQEVSTJZSA-N 0 0 532.505 3.992 40 5 KHBBRN CCOc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 ZINC000408641906 572297317 /nfs/dbraw/zinc/29/73/17/572297317.db2.gz DJOXVPLWBCPTHU-HXUWFJFHSA-N 0 0 532.505 3.992 40 5 KHBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408641927 572297366 /nfs/dbraw/zinc/29/73/66/572297366.db2.gz DKSJEWKIPADOIV-DQEYMECFSA-N 0 0 598.524 3.914 40 5 KHBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408641928 572297388 /nfs/dbraw/zinc/29/73/88/572297388.db2.gz DKSJEWKIPADOIV-JWQCQUIFSA-N 0 0 598.524 3.914 40 5 KHBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408641929 572297356 /nfs/dbraw/zinc/29/73/56/572297356.db2.gz DKSJEWKIPADOIV-PLQXJYEYSA-N 0 0 598.524 3.914 40 5 KHBBRN O=C(Oc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1)c1ccco1 ZINC000408642205 572297502 /nfs/dbraw/zinc/29/75/02/572297502.db2.gz MDBWMNQGRJRWMX-UHFFFAOYSA-N 0 0 584.453 3.852 40 5 KHBBRN Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000408642218 572297497 /nfs/dbraw/zinc/29/74/97/572297497.db2.gz MEUYZLNVMRYEGT-HNNXBMFYSA-N 0 0 502.439 3.736 40 5 KHBBRN Cc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000408642220 572297560 /nfs/dbraw/zinc/29/75/60/572297560.db2.gz MEUYZLNVMRYEGT-OAHLLOKOSA-N 0 0 502.439 3.736 40 5 KHBBRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408642287 572297589 /nfs/dbraw/zinc/29/75/89/572297589.db2.gz MSOHSBIITSXJPT-UHFFFAOYSA-N 0 0 508.830 3.693 40 5 KHBBRN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000408642293 572297592 /nfs/dbraw/zinc/29/75/92/572297592.db2.gz MTXFIZKNRRSGAA-UHFFFAOYSA-N 0 0 508.830 3.693 40 5 KHBBRN CC[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408642870 572297969 /nfs/dbraw/zinc/29/79/69/572297969.db2.gz ODCLFGFDCYJTGE-IBGZPJMESA-N 0 0 502.439 3.818 40 5 KHBBRN CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408642871 572297985 /nfs/dbraw/zinc/29/79/85/572297985.db2.gz ODCLFGFDCYJTGE-LJQANCHMSA-N 0 0 502.439 3.818 40 5 KHBBRN COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4OC)C3)cc2)c1 ZINC000408643363 572298178 /nfs/dbraw/zinc/29/81/78/572298178.db2.gz FVIIAZGXSMRHFR-IBGZPJMESA-N 0 0 548.504 3.610 40 5 KHBBRN COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4OC)C3)cc2)c1 ZINC000408643366 572298168 /nfs/dbraw/zinc/29/81/68/572298168.db2.gz FVIIAZGXSMRHFR-LJQANCHMSA-N 0 0 548.504 3.610 40 5 KHBBRN COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)cc2)c1 ZINC000408643486 572298201 /nfs/dbraw/zinc/29/82/01/572298201.db2.gz GAIFAEBESGNXTE-FQEVSTJZSA-N 0 0 532.505 3.910 40 5 KHBBRN COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)cc2)c1 ZINC000408643489 572298242 /nfs/dbraw/zinc/29/82/42/572298242.db2.gz GAIFAEBESGNXTE-HXUWFJFHSA-N 0 0 532.505 3.910 40 5 KHBBRN COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)CCCC3=O)cc2)c1 ZINC000408643977 572298396 /nfs/dbraw/zinc/29/83/96/572298396.db2.gz QKTHRFJHHWISTF-UHFFFAOYSA-N 0 0 545.504 3.602 40 5 KHBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCC1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 ZINC000408645450 572299156 /nfs/dbraw/zinc/29/91/56/572299156.db2.gz SIHYFXIEXWJBOB-UHFFFAOYSA-N 0 0 580.347 3.966 40 5 KHBBRN CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000408645498 572299182 /nfs/dbraw/zinc/29/91/82/572299182.db2.gz SJVZVIZTVITUAI-PMACEKPBSA-N 0 0 526.343 3.939 40 5 KHBBRN CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000408645502 572299247 /nfs/dbraw/zinc/29/92/47/572299247.db2.gz SJVZVIZTVITUAI-UXHICEINSA-N 0 0 526.343 3.939 40 5 KHBBRN CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000408645505 572299270 /nfs/dbraw/zinc/29/92/70/572299270.db2.gz SJVZVIZTVITUAI-VQTJNVASSA-N 0 0 526.343 3.939 40 5 KHBBRN CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000408645509 572299280 /nfs/dbraw/zinc/29/92/80/572299280.db2.gz SJVZVIZTVITUAI-WOJBJXKFSA-N 0 0 526.343 3.939 40 5 KHBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3)cc2)cc1 ZINC000408645754 572299429 /nfs/dbraw/zinc/29/94/29/572299429.db2.gz ICDXDUHPOWZFNE-FQEVSTJZSA-N 0 0 502.479 3.901 40 5 KHBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3)cc2)cc1 ZINC000408645755 572299395 /nfs/dbraw/zinc/29/93/95/572299395.db2.gz ICDXDUHPOWZFNE-HXUWFJFHSA-N 0 0 502.479 3.901 40 5 KHBBRN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408646212 572299743 /nfs/dbraw/zinc/29/97/43/572299743.db2.gz TXFWKHZPRYIRLX-UHFFFAOYSA-N 0 0 508.830 3.693 40 5 KHBBRN COc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2=O)c(OC)c1 ZINC000408646271 572299771 /nfs/dbraw/zinc/29/97/71/572299771.db2.gz IMSQIFNFTOJQQZ-IBGZPJMESA-N 0 0 548.504 3.610 40 5 KHBBRN COc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2=O)c(OC)c1 ZINC000408646273 572299747 /nfs/dbraw/zinc/29/97/47/572299747.db2.gz IMSQIFNFTOJQQZ-LJQANCHMSA-N 0 0 548.504 3.610 40 5 KHBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCCC1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408646649 572300066 /nfs/dbraw/zinc/30/00/66/572300066.db2.gz TZRHZQZEWMTBAC-UHFFFAOYSA-N 0 0 560.475 3.501 40 5 KHBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)cc1 ZINC000408647215 572300376 /nfs/dbraw/zinc/30/03/76/572300376.db2.gz UUDIZTKGDKEQFV-UHFFFAOYSA-N 0 0 508.830 3.693 40 5 KHBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)CCC3=O)cc2)cc1 ZINC000408647319 572300462 /nfs/dbraw/zinc/30/04/62/572300462.db2.gz VAAHUTYJPWJPSD-UHFFFAOYSA-N 0 0 515.478 3.512 40 5 KHBBRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)OCC(=O)c4ccccc4)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408647348 572300463 /nfs/dbraw/zinc/30/04/63/572300463.db2.gz WXOFLDDRFQHAOM-FQEVSTJZSA-N 0 0 501.495 3.935 40 5 KHBBRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)OCC(=O)c4ccccc4)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408647352 572300456 /nfs/dbraw/zinc/30/04/56/572300456.db2.gz WXOFLDDRFQHAOM-HXUWFJFHSA-N 0 0 501.495 3.935 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)c2ccc(OC(=O)c3ccc(C)cc3)cc2)CC1=O ZINC000408648246 572301088 /nfs/dbraw/zinc/30/10/88/572301088.db2.gz JVMKRDPIRSFCLT-FQEVSTJZSA-N 0 0 532.505 3.910 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)c2ccc(OC(=O)c3ccc(C)cc3)cc2)CC1=O ZINC000408648248 572301109 /nfs/dbraw/zinc/30/11/09/572301109.db2.gz JVMKRDPIRSFCLT-HXUWFJFHSA-N 0 0 532.505 3.910 40 5 KHBBRN Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1C ZINC000408648968 572301518 /nfs/dbraw/zinc/30/15/18/572301518.db2.gz WXKGCUBQMZOOMQ-UHFFFAOYSA-N 0 0 502.439 3.656 40 5 KHBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCCC1=O)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000408649004 572301561 /nfs/dbraw/zinc/30/15/61/572301561.db2.gz WZWNXBBYDQRVNB-UHFFFAOYSA-N 0 0 515.478 3.593 40 5 KHBBRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(OC(=O)c4cccs4)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408649250 572301682 /nfs/dbraw/zinc/30/16/82/572301682.db2.gz KXJOSKXZDZRUEY-KRWDZBQOSA-N 0 0 508.508 3.963 40 5 KHBBRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(OC(=O)c4cccs4)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408649253 572301674 /nfs/dbraw/zinc/30/16/74/572301674.db2.gz KXJOSKXZDZRUEY-QGZVFWFLSA-N 0 0 508.508 3.963 40 5 KHBBRN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)[C@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)cc2)cc1 ZINC000408649908 572302265 /nfs/dbraw/zinc/30/22/65/572302265.db2.gz LUDLUZQCGBTXKX-FQEVSTJZSA-N 0 0 552.561 3.758 40 5 KHBBRN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)cc2)cc1 ZINC000408649912 572302304 /nfs/dbraw/zinc/30/23/04/572302304.db2.gz LUDLUZQCGBTXKX-HXUWFJFHSA-N 0 0 552.561 3.758 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)c(C)c2)CC1=O ZINC000408650322 572302493 /nfs/dbraw/zinc/30/24/93/572302493.db2.gz AVZJAQHOFKVPAM-BWIYXDQASA-N 0 0 533.537 3.572 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@@H]4C3=O)c(C)c2)CC1=O ZINC000408650327 572302518 /nfs/dbraw/zinc/30/25/18/572302518.db2.gz AVZJAQHOFKVPAM-IUKJWAPLSA-N 0 0 533.537 3.572 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@@H]4C3=O)c(C)c2)CC1=O ZINC000408650329 572302483 /nfs/dbraw/zinc/30/24/83/572302483.db2.gz AVZJAQHOFKVPAM-OXPLBACBSA-N 0 0 533.537 3.572 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)c(C)c2)CC1=O ZINC000408650331 572302498 /nfs/dbraw/zinc/30/24/98/572302498.db2.gz AVZJAQHOFKVPAM-UUWQMMGASA-N 0 0 533.537 3.572 40 5 KHBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccco4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21 ZINC000408650637 572302802 /nfs/dbraw/zinc/30/28/02/572302802.db2.gz MMDCWMDRLBKXJN-CFRFINDLSA-N 0 0 557.515 3.844 40 5 KHBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccco4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21 ZINC000408650638 572302799 /nfs/dbraw/zinc/30/27/99/572302799.db2.gz MMDCWMDRLBKXJN-MCCOCYNGSA-N 0 0 557.515 3.844 40 5 KHBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccco4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21 ZINC000408650639 572302804 /nfs/dbraw/zinc/30/28/04/572302804.db2.gz MMDCWMDRLBKXJN-SEIFXHLTSA-N 0 0 557.515 3.844 40 5 KHBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccco4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21 ZINC000408650640 572302795 /nfs/dbraw/zinc/30/27/95/572302795.db2.gz MMDCWMDRLBKXJN-VEDVITAVSA-N 0 0 557.515 3.844 40 5 KHBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Oc4ccccc4OC)cc3)C2)c1 ZINC000408650813 572302871 /nfs/dbraw/zinc/30/28/71/572302871.db2.gz AANTXEIOVZTMPH-KRWDZBQOSA-N 0 0 535.509 3.939 40 5 KHBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4OC)cc3)C2)c1 ZINC000408650816 572302880 /nfs/dbraw/zinc/30/28/80/572302880.db2.gz AANTXEIOVZTMPH-QGZVFWFLSA-N 0 0 535.509 3.939 40 5 KHBBRN Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)[C@@H]2CC[C@H](C)C[C@@H]2C1=O ZINC000408651473 572303269 /nfs/dbraw/zinc/30/32/69/572303269.db2.gz CKJGEMPFHPZLDE-NAYASGRBSA-N 0 0 505.527 3.787 40 5 KHBBRN Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)[C@@H]2CC[C@@H](C)C[C@H]2C1=O ZINC000408651475 572303296 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COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1=O ZINC000408660761 572308585 /nfs/dbraw/zinc/30/85/85/572308585.db2.gz WVQUDDDVIAFNEL-SFHVURJKSA-N 0 0 563.475 3.510 40 5 KHBBRN CCCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(OC)ccc2[N+](=O)[O-])cc1 ZINC000408660966 572308743 /nfs/dbraw/zinc/30/87/43/572308743.db2.gz AEWBVVZTKHBVFR-UHFFFAOYSA-N 0 0 515.519 3.851 40 5 KHBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)c1 ZINC000408661758 572309175 /nfs/dbraw/zinc/30/91/75/572309175.db2.gz CHTWJIDEUUMMFL-UHFFFAOYSA-N 0 0 515.519 3.707 40 5 KHBBRN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@@H]5CC[C@H](C)C[C@@H]5C4=O)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408662937 572309882 /nfs/dbraw/zinc/30/98/82/572309882.db2.gz NANRYRDETRLAOT-NAYASGRBSA-N 0 0 505.527 3.787 40 5 KHBBRN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@@H]5CC[C@@H](C)C[C@H]5C4=O)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408662939 572309833 /nfs/dbraw/zinc/30/98/33/572309833.db2.gz NANRYRDETRLAOT-PVFUSPOPSA-N 0 0 505.527 3.787 40 5 KHBBRN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@@H]5CC[C@@H](C)C[C@@H]5C4=O)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408662941 572309816 /nfs/dbraw/zinc/30/98/16/572309816.db2.gz NANRYRDETRLAOT-VIDZHXABSA-N 0 0 505.527 3.787 40 5 KHBBRN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@@H]5CC[C@H](C)C[C@H]5C4=O)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408662942 572309800 /nfs/dbraw/zinc/30/98/00/572309800.db2.gz NANRYRDETRLAOT-VYOKXSSZSA-N 0 0 505.527 3.787 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)c2ccc(OC(=O)c3cccs3)cc2)CC1=O ZINC000408663070 572309922 /nfs/dbraw/zinc/30/99/22/572309922.db2.gz YCUXYJJVZGXYGR-INIZCTEOSA-N 0 0 524.507 3.663 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)c2ccc(OC(=O)c3cccs3)cc2)CC1=O ZINC000408663073 572309930 /nfs/dbraw/zinc/30/99/30/572309930.db2.gz YCUXYJJVZGXYGR-MRXNPFEDSA-N 0 0 524.507 3.663 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2C)CC1=O ZINC000408664299 572310774 /nfs/dbraw/zinc/31/07/74/572310774.db2.gz BNUDCBRLUMURIA-GFCCVEGCSA-N 0 0 540.754 3.863 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2C)CC1=O ZINC000408664302 572310741 /nfs/dbraw/zinc/31/07/41/572310741.db2.gz BNUDCBRLUMURIA-LBPRGKRZSA-N 0 0 540.754 3.863 40 5 KHBBRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)cc3Cl)CC2=O)cc1[N+](=O)[O-] ZINC000408664312 572310701 /nfs/dbraw/zinc/31/07/01/572310701.db2.gz BPFGZUIWUMKXJR-GFCCVEGCSA-N 0 0 510.728 3.854 40 5 KHBBRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)cc3Cl)CC2=O)cc1[N+](=O)[O-] ZINC000408664315 572310778 /nfs/dbraw/zinc/31/07/78/572310778.db2.gz BPFGZUIWUMKXJR-LBPRGKRZSA-N 0 0 510.728 3.854 40 5 KHBBRN CCc1cc(Br)ccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000408664342 572310703 /nfs/dbraw/zinc/31/07/03/572310703.db2.gz BTVTWIDWTYZTOM-HNNXBMFYSA-N 0 0 504.337 3.763 40 5 KHBBRN CCc1cc(Br)ccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000408664346 572310737 /nfs/dbraw/zinc/31/07/37/572310737.db2.gz BTVTWIDWTYZTOM-OAHLLOKOSA-N 0 0 504.337 3.763 40 5 KHBBRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)c(C)c3C)CC2=O)cc1[N+](=O)[O-] ZINC000408664483 572310873 /nfs/dbraw/zinc/31/08/73/572310873.db2.gz CBENJUZDWIOXTE-HNNXBMFYSA-N 0 0 504.337 3.817 40 5 KHBBRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)c(C)c3C)CC2=O)cc1[N+](=O)[O-] ZINC000408664493 572310868 /nfs/dbraw/zinc/31/08/68/572310868.db2.gz CBENJUZDWIOXTE-OAHLLOKOSA-N 0 0 504.337 3.817 40 5 KHBBRN CCOc1ccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c3)CC2=O)cc1 ZINC000408665227 572311230 /nfs/dbraw/zinc/31/12/30/572311230.db2.gz OTKBWIGVSJIFBU-INIZCTEOSA-N 0 0 515.478 3.753 40 5 KHBBRN CCOc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c3)CC2=O)cc1 ZINC000408665230 572311237 /nfs/dbraw/zinc/31/12/37/572311237.db2.gz OTKBWIGVSJIFBU-MRXNPFEDSA-N 0 0 515.478 3.753 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2)CC1=O ZINC000408665328 572311363 /nfs/dbraw/zinc/31/13/63/572311363.db2.gz DQLQTCBJDZDKAC-LLVKDONJSA-N 0 0 526.727 3.554 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2)CC1=O ZINC000408665335 572311334 /nfs/dbraw/zinc/31/13/34/572311334.db2.gz DQLQTCBJDZDKAC-NSHDSACASA-N 0 0 526.727 3.554 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c(C)c2)CC1=O ZINC000408665369 572311350 /nfs/dbraw/zinc/31/13/50/572311350.db2.gz OWYMWNVHOYBZQD-HNNXBMFYSA-N 0 0 560.475 3.579 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c(C)c2)CC1=O ZINC000408665377 572311331 /nfs/dbraw/zinc/31/13/31/572311331.db2.gz OWYMWNVHOYBZQD-OAHLLOKOSA-N 0 0 560.475 3.579 40 5 KHBBRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408666033 572311770 /nfs/dbraw/zinc/31/17/70/572311770.db2.gz ZVYUNXZBKYYMLR-IBGZPJMESA-N 0 0 547.476 3.810 40 5 KHBBRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408666039 572311774 /nfs/dbraw/zinc/31/17/74/572311774.db2.gz ZVYUNXZBKYYMLR-LJQANCHMSA-N 0 0 547.476 3.810 40 5 KHBBRN Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c(C)cc1Br ZINC000408666167 572311869 /nfs/dbraw/zinc/31/18/69/572311869.db2.gz GIANZNQNRNIHCR-HNNXBMFYSA-N 0 0 504.337 3.817 40 5 KHBBRN Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c(C)cc1Br ZINC000408666168 572311874 /nfs/dbraw/zinc/31/18/74/572311874.db2.gz GIANZNQNRNIHCR-OAHLLOKOSA-N 0 0 504.337 3.817 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1=O ZINC000408666175 572311865 /nfs/dbraw/zinc/31/18/65/572311865.db2.gz GJQSZMDKJDPULC-LLVKDONJSA-N 0 0 515.828 3.810 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1=O ZINC000408666177 572311863 /nfs/dbraw/zinc/31/18/63/572311863.db2.gz GJQSZMDKJDPULC-NSHDSACASA-N 0 0 515.828 3.810 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)c(C)c2)CC1=O ZINC000408666485 572312023 /nfs/dbraw/zinc/31/20/23/572312023.db2.gz PUCGLOIWLASMKJ-AXNOTKAXSA-N 0 0 535.553 3.796 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@@H]4C3=O)c(C)c2)CC1=O ZINC000408666489 572312069 /nfs/dbraw/zinc/31/20/69/572312069.db2.gz PUCGLOIWLASMKJ-IAECCPNBSA-N 0 0 535.553 3.796 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@@H]4C3=O)c(C)c2)CC1=O ZINC000408666492 572312093 /nfs/dbraw/zinc/31/20/93/572312093.db2.gz PUCGLOIWLASMKJ-JKMAKKBCSA-N 0 0 535.553 3.796 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)c(C)c2)CC1=O ZINC000408666495 572312085 /nfs/dbraw/zinc/31/20/85/572312085.db2.gz PUCGLOIWLASMKJ-UAMLPYHUSA-N 0 0 535.553 3.796 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O ZINC000408666933 572312401 /nfs/dbraw/zinc/31/24/01/572312401.db2.gz HWKFRJFUTHFPMO-KRWDZBQOSA-N 0 0 505.483 3.931 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O ZINC000408666935 572312388 /nfs/dbraw/zinc/31/23/88/572312388.db2.gz HWKFRJFUTHFPMO-QGZVFWFLSA-N 0 0 505.483 3.931 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)c(C)c2)CC1=O ZINC000408667181 572312527 /nfs/dbraw/zinc/31/25/27/572312527.db2.gz QKXUZGOOKWBDLV-AHRSYUTCSA-N 0 0 521.526 3.550 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)c(C)c2)CC1=O ZINC000408667184 572312492 /nfs/dbraw/zinc/31/24/92/572312492.db2.gz QKXUZGOOKWBDLV-FFZOFVMBSA-N 0 0 521.526 3.550 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c(C)c2)CC1=O ZINC000408667185 572312508 /nfs/dbraw/zinc/31/25/08/572312508.db2.gz QKXUZGOOKWBDLV-NSISKUIASA-N 0 0 521.526 3.550 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c(C)c2)CC1=O ZINC000408667186 572312509 /nfs/dbraw/zinc/31/25/09/572312509.db2.gz QKXUZGOOKWBDLV-UXPWSPDFSA-N 0 0 521.526 3.550 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(Br)cc2Cl)CC1=O ZINC000408667750 572312908 /nfs/dbraw/zinc/31/29/08/572312908.db2.gz KKCMPBZLICKYOX-LLVKDONJSA-N 0 0 526.727 3.554 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(Br)cc2Cl)CC1=O ZINC000408667751 572312966 /nfs/dbraw/zinc/31/29/66/572312966.db2.gz KKCMPBZLICKYOX-NSHDSACASA-N 0 0 526.727 3.554 40 5 KHBBRN Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)[C@@H]5CC[C@H](C)C[C@@H]5C4=O)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408667955 572313031 /nfs/dbraw/zinc/31/30/31/572313031.db2.gz QQNMAAOWBRGLIB-NAYASGRBSA-N 0 0 505.527 3.787 40 5 KHBBRN Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)[C@@H]5CC[C@@H](C)C[C@H]5C4=O)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408667959 572313055 /nfs/dbraw/zinc/31/30/55/572313055.db2.gz QQNMAAOWBRGLIB-PVFUSPOPSA-N 0 0 505.527 3.787 40 5 KHBBRN Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)[C@@H]5CC[C@@H](C)C[C@@H]5C4=O)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408667963 572313020 /nfs/dbraw/zinc/31/30/20/572313020.db2.gz QQNMAAOWBRGLIB-VIDZHXABSA-N 0 0 505.527 3.787 40 5 KHBBRN Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)[C@@H]5CC[C@H](C)C[C@H]5C4=O)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408667966 572313056 /nfs/dbraw/zinc/31/30/56/572313056.db2.gz QQNMAAOWBRGLIB-VYOKXSSZSA-N 0 0 505.527 3.787 40 5 KHBBRN Cc1c(Cl)c(Br)ccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408668093 572313039 /nfs/dbraw/zinc/31/30/39/572313039.db2.gz UUOVKHIQASWJNB-GFCCVEGCSA-N 0 0 510.728 3.854 40 5 KHBBRN Cc1c(Cl)c(Br)ccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408668095 572313126 /nfs/dbraw/zinc/31/31/26/572313126.db2.gz UUOVKHIQASWJNB-LBPRGKRZSA-N 0 0 510.728 3.854 40 5 KHBBRN O=C(CN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2(Br)c2ccccc21)Nc1cccc([N+](=O)[O-])c1 ZINC000408668771 572313518 /nfs/dbraw/zinc/31/35/18/572313518.db2.gz FEDZQJXHHPCSSV-FGEXJBCWSA-N 0 0 532.350 3.932 40 5 KHBBRN O=C(CN1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21)Nc1cccc([N+](=O)[O-])c1 ZINC000408668773 572313515 /nfs/dbraw/zinc/31/35/15/572313515.db2.gz FEDZQJXHHPCSSV-QQNJPBSNSA-N 0 0 532.350 3.932 40 5 KHBBRN O=C(CN1C(=O)[C@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21)Nc1cccc([N+](=O)[O-])c1 ZINC000408668777 572313668 /nfs/dbraw/zinc/31/36/68/572313668.db2.gz FEDZQJXHHPCSSV-VUUXHMSQSA-N 0 0 532.350 3.932 40 5 KHBBRN O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21)Nc1cccc([N+](=O)[O-])c1 ZINC000408668780 572313624 /nfs/dbraw/zinc/31/36/24/572313624.db2.gz FEDZQJXHHPCSSV-ZQFKLAOWSA-N 0 0 532.350 3.932 40 5 KHBBRN Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 ZINC000408669128 572313873 /nfs/dbraw/zinc/31/38/73/572313873.db2.gz MVIHGROWOGUWOO-GFCCVEGCSA-N 0 0 510.728 3.854 40 5 KHBBRN Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 ZINC000408669130 572313871 /nfs/dbraw/zinc/31/38/71/572313871.db2.gz MVIHGROWOGUWOO-LBPRGKRZSA-N 0 0 510.728 3.854 40 5 KHBBRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(C)c(Br)c(C)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408669758 572314307 /nfs/dbraw/zinc/31/43/07/572314307.db2.gz OIMHKORUZMDBPM-HNNXBMFYSA-N 0 0 504.337 3.817 40 5 KHBBRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(C)c(Br)c(C)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408669760 572314298 /nfs/dbraw/zinc/31/42/98/572314298.db2.gz OIMHKORUZMDBPM-OAHLLOKOSA-N 0 0 504.337 3.817 40 5 KHBBRN CCCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cc(OC)ccc2[N+](=O)[O-])cc1 ZINC000408670217 572314630 /nfs/dbraw/zinc/31/46/30/572314630.db2.gz YSJFLAYGVJYYDJ-UHFFFAOYSA-N 0 0 515.519 3.851 40 5 KHBBRN Cc1ccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)[C@@H]5CC(C)=CC[C@@H]5C4=O)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408671325 572315335 /nfs/dbraw/zinc/31/53/35/572315335.db2.gz UFAKXXZCNCHZOK-BULFRSBZSA-N 0 0 503.511 3.707 40 5 KHBBRN Cc1ccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)[C@H]5CC=C(C)C[C@@H]5C4=O)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408671328 572315346 /nfs/dbraw/zinc/31/53/46/572315346.db2.gz UFAKXXZCNCHZOK-HSQYWUDLSA-N 0 0 503.511 3.707 40 5 KHBBRN Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)[C@@H]5CC(C)=CC[C@@H]5C4=O)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408671330 572315322 /nfs/dbraw/zinc/31/53/22/572315322.db2.gz UFAKXXZCNCHZOK-VOQZNFBZSA-N 0 0 503.511 3.707 40 5 KHBBRN Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)[C@H]5CC=C(C)C[C@@H]5C4=O)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408671333 572315320 /nfs/dbraw/zinc/31/53/20/572315320.db2.gz UFAKXXZCNCHZOK-WTNAPCKOSA-N 0 0 503.511 3.707 40 5 KHBBRN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@@H]5CC=CC[C@H]5C4=O)c(C)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408671936 572315801 /nfs/dbraw/zinc/31/58/01/572315801.db2.gz UODNEFJZLJEDPR-DUXKGJEZSA-N 0 0 503.511 3.626 40 5 KHBBRN Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)[C@@H]5CC=CC[C@@H]5C4=O)c(C)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408671939 572315753 /nfs/dbraw/zinc/31/57/53/572315753.db2.gz UODNEFJZLJEDPR-DZFGPLHGSA-N 0 0 503.511 3.626 40 5 KHBBRN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@H]5CC=CC[C@@H]5C4=O)c(C)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408671941 572315772 /nfs/dbraw/zinc/31/57/72/572315772.db2.gz UODNEFJZLJEDPR-QMMLZNLJSA-N 0 0 503.511 3.626 40 5 KHBBRN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@@H]5CC=CC[C@@H]5C4=O)c(C)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408671944 572315792 /nfs/dbraw/zinc/31/57/92/572315792.db2.gz UODNEFJZLJEDPR-UIFIKXQLSA-N 0 0 503.511 3.626 40 5 KHBBRN COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc1[N+](=O)[O-] ZINC000408672209 572315969 /nfs/dbraw/zinc/31/59/69/572315969.db2.gz MJENFNOLPHVUJQ-UHFFFAOYSA-N 0 0 500.504 3.951 40 5 KHBBRN Cc1cc(OC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)[C@@H]2CC(C)=CC[C@@H]2C1=O ZINC000408672659 572316275 /nfs/dbraw/zinc/31/62/75/572316275.db2.gz VSJLWYGCMZJLTO-BULFRSBZSA-N 0 0 503.511 3.707 40 5 KHBBRN Cc1cc(OC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)[C@H]2CC=C(C)C[C@@H]2C1=O ZINC000408672661 572316302 /nfs/dbraw/zinc/31/63/02/572316302.db2.gz VSJLWYGCMZJLTO-HSQYWUDLSA-N 0 0 503.511 3.707 40 5 KHBBRN Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)[C@@H]2CC(C)=CC[C@@H]2C1=O ZINC000408672663 572316308 /nfs/dbraw/zinc/31/63/08/572316308.db2.gz VSJLWYGCMZJLTO-VOQZNFBZSA-N 0 0 503.511 3.707 40 5 KHBBRN Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)[C@H]2CC=C(C)C[C@@H]2C1=O ZINC000408672665 572316272 /nfs/dbraw/zinc/31/62/72/572316272.db2.gz VSJLWYGCMZJLTO-WTNAPCKOSA-N 0 0 503.511 3.707 40 5 KHBBRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)c(Cl)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408672796 572316262 /nfs/dbraw/zinc/31/62/62/572316262.db2.gz WZPFDMFKVSQPIW-GFCCVEGCSA-N 0 0 510.728 3.854 40 5 KHBBRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)c(Cl)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408672797 572316274 /nfs/dbraw/zinc/31/62/74/572316274.db2.gz WZPFDMFKVSQPIW-LBPRGKRZSA-N 0 0 510.728 3.854 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2cc(C)c(Br)cc2C)CC1=O ZINC000408672876 572316414 /nfs/dbraw/zinc/31/64/14/572316414.db2.gz XSRRMWDPOVAZAD-AWEZNQCLSA-N 0 0 520.336 3.518 40 5 KHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2cc(C)c(Br)cc2C)CC1=O ZINC000408672878 572316408 /nfs/dbraw/zinc/31/64/08/572316408.db2.gz XSRRMWDPOVAZAD-CQSZACIVSA-N 0 0 520.336 3.518 40 5 KHBBRN Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)[C@@H]2CC=C[C@@H](C)[C@H]2C1=O ZINC000408673051 572316522 /nfs/dbraw/zinc/31/65/22/572316522.db2.gz WGLRGHVBURZABB-BDQIEHDPSA-N 0 0 503.511 3.563 40 5 KHBBRN Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)[C@@H]2CC=C[C@H](C)[C@H]2C1=O ZINC000408673052 572316507 /nfs/dbraw/zinc/31/65/07/572316507.db2.gz WGLRGHVBURZABB-NHNJNSKLSA-N 0 0 503.511 3.563 40 5 KHBBRN Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)[C@@H]2CC=C[C@@H](C)[C@@H]2C1=O ZINC000408673054 572316516 /nfs/dbraw/zinc/31/65/16/572316516.db2.gz WGLRGHVBURZABB-NMNYSWNBSA-N 0 0 503.511 3.563 40 5 KHBBRN Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)[C@@H]2CC=C[C@H](C)[C@@H]2C1=O ZINC000408673056 572316506 /nfs/dbraw/zinc/31/65/06/572316506.db2.gz WGLRGHVBURZABB-SAZVYFARSA-N 0 0 503.511 3.563 40 5 KHBBRN Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)[C@@H]5CC(C)=CC[C@@H]5C4=O)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408673977 572317037 /nfs/dbraw/zinc/31/70/37/572317037.db2.gz YCLIEVFSHYMALO-BULFRSBZSA-N 0 0 503.511 3.707 40 5 KHBBRN Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)[C@H]5CC=C(C)C[C@@H]5C4=O)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408673978 572317032 /nfs/dbraw/zinc/31/70/32/572317032.db2.gz YCLIEVFSHYMALO-HSQYWUDLSA-N 0 0 503.511 3.707 40 5 KHBBRN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@@H]5CC(C)=CC[C@@H]5C4=O)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408673980 572317023 /nfs/dbraw/zinc/31/70/23/572317023.db2.gz YCLIEVFSHYMALO-VOQZNFBZSA-N 0 0 503.511 3.707 40 5 KHBBRN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@H]5CC=C(C)C[C@@H]5C4=O)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408673982 572317029 /nfs/dbraw/zinc/31/70/29/572317029.db2.gz YCLIEVFSHYMALO-WTNAPCKOSA-N 0 0 503.511 3.707 40 5 KHBBRN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@@H]5CC=C[C@H](C)[C@@H]5C4=O)c(C)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408674039 572317060 /nfs/dbraw/zinc/31/70/60/572317060.db2.gz YFWJSUIDEKXGNT-GBEVRCAHSA-N 0 0 517.538 3.872 40 5 KHBBRN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@@H]5CC=C[C@H](C)[C@H]5C4=O)c(C)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408674040 572317055 /nfs/dbraw/zinc/31/70/55/572317055.db2.gz YFWJSUIDEKXGNT-GHAJIGNDSA-N 0 0 517.538 3.872 40 5 KHBBRN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@@H]5CC=C[C@@H](C)[C@@H]5C4=O)c(C)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408674041 572317026 /nfs/dbraw/zinc/31/70/26/572317026.db2.gz YFWJSUIDEKXGNT-JEYXGXKBSA-N 0 0 517.538 3.872 40 5 KHBBRN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@@H]5CC=C[C@@H](C)[C@H]5C4=O)c(C)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408674042 572317063 /nfs/dbraw/zinc/31/70/63/572317063.db2.gz YFWJSUIDEKXGNT-XLNLZHHQSA-N 0 0 517.538 3.872 40 5 KHBBRN O=C(CN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2(Br)c2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000408674058 572317056 /nfs/dbraw/zinc/31/70/56/572317056.db2.gz XIBVUGDDTDUZOP-FGEXJBCWSA-N 0 0 532.350 3.932 40 5 KHBBRN O=C(CN1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000408674061 572317039 /nfs/dbraw/zinc/31/70/39/572317039.db2.gz XIBVUGDDTDUZOP-QQNJPBSNSA-N 0 0 532.350 3.932 40 5 KHBBRN O=C(CN1C(=O)[C@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000408674063 572317031 /nfs/dbraw/zinc/31/70/31/572317031.db2.gz XIBVUGDDTDUZOP-VUUXHMSQSA-N 0 0 532.350 3.932 40 5 KHBBRN O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000408674065 572317024 /nfs/dbraw/zinc/31/70/24/572317024.db2.gz XIBVUGDDTDUZOP-ZQFKLAOWSA-N 0 0 532.350 3.932 40 5 KHBBRN COc1ccccc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c(C)c2)CC1=O ZINC000408674145 572317103 /nfs/dbraw/zinc/31/71/03/572317103.db2.gz YLZGMUHCTJUWEL-INIZCTEOSA-N 0 0 515.478 3.671 40 5 KHBBRN COc1ccccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c(C)c2)CC1=O ZINC000408674146 572317107 /nfs/dbraw/zinc/31/71/07/572317107.db2.gz YLZGMUHCTJUWEL-MRXNPFEDSA-N 0 0 515.478 3.671 40 5 KHBBRN Cc1ccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408674173 572317074 /nfs/dbraw/zinc/31/70/74/572317074.db2.gz YSJWVPIMMSLPGT-HNNXBMFYSA-N 0 0 530.449 3.571 40 5 KHBBRN Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408674175 572317109 /nfs/dbraw/zinc/31/71/09/572317109.db2.gz YSJWVPIMMSLPGT-OAHLLOKOSA-N 0 0 530.449 3.571 40 5 KHBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)cc1 ZINC000408678813 572320015 /nfs/dbraw/zinc/32/00/15/572320015.db2.gz DGEPHWGXWZIYTB-UHFFFAOYSA-N 0 0 508.830 3.693 40 5 KHBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408679310 572320415 /nfs/dbraw/zinc/32/04/15/572320415.db2.gz DSVHIJCDOXZVCY-UHFFFAOYSA-N 0 0 525.817 3.918 40 5 KHBBRN Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1[N+](=O)[O-] ZINC000408680989 1066541865 /nfs/dbraw/zinc/54/18/65/1066541865.db2.gz ISQFRTSRMRMSED-CWZLYDKRSA-N 0 0 539.544 3.666 40 5 KHBBRN Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1[N+](=O)[O-] ZINC000408680992 1066541779 /nfs/dbraw/zinc/54/17/79/1066541779.db2.gz ISQFRTSRMRMSED-DNTUSOGLSA-N 0 0 539.544 3.666 40 5 KHBBRN Cc1ccc(NC(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1[N+](=O)[O-] ZINC000408680995 1066541792 /nfs/dbraw/zinc/54/17/92/1066541792.db2.gz ISQFRTSRMRMSED-HSXQVLTLSA-N 0 0 539.544 3.666 40 5 KHBBRN Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1[N+](=O)[O-] ZINC000408680999 1066541809 /nfs/dbraw/zinc/54/18/09/1066541809.db2.gz ISQFRTSRMRMSED-KJJIFOOQSA-N 0 0 539.544 3.666 40 5 KHBBRN O=C(COC(=O)CN1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000408681349 1066541226 /nfs/dbraw/zinc/54/12/26/1066541226.db2.gz IZFCOTPZAFQKSV-UHFFFAOYSA-N 0 0 521.096 3.986 40 5 KHBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CN2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)c1 ZINC000408681963 1066541179 /nfs/dbraw/zinc/54/11/79/1066541179.db2.gz JXCXSGVJEOSAIJ-UHFFFAOYSA-N 0 0 551.122 3.995 40 5 KHBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1ccc(Br)cc1 ZINC000408682890 1066540512 /nfs/dbraw/zinc/54/05/12/1066540512.db2.gz KGMRLNNPAQLUTK-CALCHBBNSA-N 0 0 514.332 3.773 40 5 KHBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(Br)cc1 ZINC000408682893 1066540475 /nfs/dbraw/zinc/54/04/75/1066540475.db2.gz KGMRLNNPAQLUTK-IAGOWNOFSA-N 0 0 514.332 3.773 40 5 KHBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(Br)cc1 ZINC000408682894 1066540467 /nfs/dbraw/zinc/54/04/67/1066540467.db2.gz KGMRLNNPAQLUTK-IRXDYDNUSA-N 0 0 514.332 3.773 40 5 KHBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21 ZINC000408684285 1066539805 /nfs/dbraw/zinc/53/98/05/1066539805.db2.gz NGEXXDALOOLXLD-MMACOIQUSA-N 0 0 526.343 3.795 40 5 KHBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21 ZINC000408684287 1066539845 /nfs/dbraw/zinc/53/98/45/1066539845.db2.gz NGEXXDALOOLXLD-RFVSGWPVSA-N 0 0 526.343 3.795 40 5 KHBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 ZINC000408684289 1066539834 /nfs/dbraw/zinc/53/98/34/1066539834.db2.gz NGEXXDALOOLXLD-XWRIVVANSA-N 0 0 526.343 3.795 40 5 KHBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 ZINC000408684291 1066539780 /nfs/dbraw/zinc/53/97/80/1066539780.db2.gz NGEXXDALOOLXLD-YFZFPPMRSA-N 0 0 526.343 3.795 40 5 KHBBRN CC(C)[C@@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408684507 1066539825 /nfs/dbraw/zinc/53/98/25/1066539825.db2.gz OYEXEDYBINWNFA-GYFFGYLLSA-N 0 0 553.571 3.993 40 5 KHBBRN CC(C)[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408684510 1066539792 /nfs/dbraw/zinc/53/97/92/1066539792.db2.gz OYEXEDYBINWNFA-KTWGYSIQSA-N 0 0 553.571 3.993 40 5 KHBBRN CC(C)[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408684513 1066539821 /nfs/dbraw/zinc/53/98/21/1066539821.db2.gz OYEXEDYBINWNFA-PCLDUBMHSA-N 0 0 553.571 3.993 40 5 KHBBRN CC(C)[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408684515 1066539849 /nfs/dbraw/zinc/53/98/49/1066539849.db2.gz OYEXEDYBINWNFA-VJAWVROJSA-N 0 0 553.571 3.993 40 5 KHBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Br)cc1 ZINC000408685064 1066539514 /nfs/dbraw/zinc/53/95/14/1066539514.db2.gz OMHNDQVUUGKHAW-UHFFFAOYSA-N 0 0 553.281 3.802 40 5 KHBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1ccc(Br)cc1 ZINC000408685378 1066539479 /nfs/dbraw/zinc/53/94/79/1066539479.db2.gz PGMQOVRMEWIKAC-KDURUIRLSA-N 0 0 512.316 3.549 40 5 KHBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(Br)cc1 ZINC000408685381 1066539501 /nfs/dbraw/zinc/53/95/01/1066539501.db2.gz PGMQOVRMEWIKAC-OALUTQOASA-N 0 0 512.316 3.549 40 5 KHBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(Br)cc1 ZINC000408685383 1066539509 /nfs/dbraw/zinc/53/95/09/1066539509.db2.gz PGMQOVRMEWIKAC-RTBURBONSA-N 0 0 512.316 3.549 40 5 KHBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)cc1 ZINC000408685702 1066539527 /nfs/dbraw/zinc/53/95/27/1066539527.db2.gz QAIQGOWMJVWSID-UHFFFAOYSA-N 0 0 508.830 3.693 40 5 KHBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1ccc(Br)cc1 ZINC000408686304 1066539078 /nfs/dbraw/zinc/53/90/78/1066539078.db2.gz RLMFWKOFUJVLQB-CALCHBBNSA-N 0 0 512.316 3.549 40 5 KHBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(Br)cc1 ZINC000408686305 1066539105 /nfs/dbraw/zinc/53/91/05/1066539105.db2.gz RLMFWKOFUJVLQB-IAGOWNOFSA-N 0 0 512.316 3.549 40 5 KHBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(Br)cc1 ZINC000408686306 1066539147 /nfs/dbraw/zinc/53/91/47/1066539147.db2.gz RLMFWKOFUJVLQB-IRXDYDNUSA-N 0 0 512.316 3.549 40 5 KHBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21 ZINC000408686549 1066538843 /nfs/dbraw/zinc/53/88/43/1066538843.db2.gz RVAQRVYZJDLIJQ-CFCCAZDESA-N 0 0 526.343 3.795 40 5 KHBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]21 ZINC000408686550 1066539092 /nfs/dbraw/zinc/53/90/92/1066539092.db2.gz RVAQRVYZJDLIJQ-IBZMOEQTSA-N 0 0 526.343 3.795 40 5 KHBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]21 ZINC000408686551 1066539177 /nfs/dbraw/zinc/53/91/77/1066539177.db2.gz RVAQRVYZJDLIJQ-IQVOZAENSA-N 0 0 526.343 3.795 40 5 KHBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21 ZINC000408686552 1066539131 /nfs/dbraw/zinc/53/91/31/1066539131.db2.gz RVAQRVYZJDLIJQ-YMTYPPQLSA-N 0 0 526.343 3.795 40 5 KHBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Br)cc1 ZINC000408687188 1066538474 /nfs/dbraw/zinc/53/84/74/1066538474.db2.gz SZYMQXWHYDPIIH-UHFFFAOYSA-N 0 0 553.281 3.802 40 5 KHBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1ccc(Br)cc1 ZINC000408687195 1066538464 /nfs/dbraw/zinc/53/84/64/1066538464.db2.gz TWGXSUAUUGOTKL-KDURUIRLSA-N 0 0 514.332 3.773 40 5 KHBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(Br)cc1 ZINC000408687196 1066538485 /nfs/dbraw/zinc/53/84/85/1066538485.db2.gz TWGXSUAUUGOTKL-OALUTQOASA-N 0 0 514.332 3.773 40 5 KHBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(Br)cc1 ZINC000408687198 1066538452 /nfs/dbraw/zinc/53/84/52/1066538452.db2.gz TWGXSUAUUGOTKL-RTBURBONSA-N 0 0 514.332 3.773 40 5 KHBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408688681 1066547341 /nfs/dbraw/zinc/54/73/41/1066547341.db2.gz WOHDZAMWWOBEAZ-UHFFFAOYSA-N 0 0 525.817 3.918 40 5 KHBBRN O=C(NC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408689340 1066546827 /nfs/dbraw/zinc/54/68/27/1066546827.db2.gz YNVYBHSVIMMIDJ-GBXBVYQWSA-N 0 0 523.545 3.900 40 5 KHBBRN O=C(NC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408689341 1066546910 /nfs/dbraw/zinc/54/69/10/1066546910.db2.gz YNVYBHSVIMMIDJ-PKPAXUNDSA-N 0 0 523.545 3.900 40 5 KHBBRN O=C(NC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408689342 1066546961 /nfs/dbraw/zinc/54/69/61/1066546961.db2.gz YNVYBHSVIMMIDJ-RFGCRWLXSA-N 0 0 523.545 3.900 40 5 KHBBRN O=C(NC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408689343 1066546861 /nfs/dbraw/zinc/54/68/61/1066546861.db2.gz YNVYBHSVIMMIDJ-RKJDNMEJSA-N 0 0 523.545 3.900 40 5 KHBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@@H](C)c2ccccc2)C3=O)c1 ZINC000408689991 1066546079 /nfs/dbraw/zinc/54/60/79/1066546079.db2.gz SYDCJROZHXNFIK-HNNXBMFYSA-N 0 0 503.467 3.756 40 5 KHBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@H](C)c2ccccc2)C3=O)c1 ZINC000408689992 1066546109 /nfs/dbraw/zinc/54/61/09/1066546109.db2.gz SYDCJROZHXNFIK-OAHLLOKOSA-N 0 0 503.467 3.756 40 5 KHBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000408710481 1066555786 /nfs/dbraw/zinc/55/57/86/1066555786.db2.gz SFJPMXASYMCVJX-UHFFFAOYSA-N 0 0 519.386 3.966 40 5 KHBBRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc([N+](=O)[O-])ccc3C)S(C)(=O)=O)cc2)c1 ZINC000408711202 1066555266 /nfs/dbraw/zinc/55/52/66/1066555266.db2.gz HFVAXGPSMGHRTQ-UHFFFAOYSA-N 0 0 546.627 3.726 40 5 KHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)S(C)(=O)=O ZINC000408711225 1066555047 /nfs/dbraw/zinc/55/50/47/1066555047.db2.gz JLZCPBUUBSDCOT-UHFFFAOYSA-N 0 0 553.018 3.762 40 5 KHBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc([N+](=O)[O-])ccc3C)S(C)(=O)=O)cc2)cc1C ZINC000408711248 1066555188 /nfs/dbraw/zinc/55/51/88/1066555188.db2.gz LXBAAIVDTNORCO-UHFFFAOYSA-N 0 0 546.627 3.726 40 5 KHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)S(C)(=O)=O ZINC000408711456 1066555284 /nfs/dbraw/zinc/55/52/84/1066555284.db2.gz YQVGQZSDIVPBHQ-UHFFFAOYSA-N 0 0 553.018 3.762 40 5 KHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)S(C)(=O)=O ZINC000408712235 1066554452 /nfs/dbraw/zinc/55/44/52/1066554452.db2.gz YLXQFKINVXAETH-UHFFFAOYSA-N 0 0 553.018 3.762 40 5 KHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1)S(C)(=O)=O ZINC000408712565 1066554389 /nfs/dbraw/zinc/55/43/89/1066554389.db2.gz OVQCDAIWHPQTIM-UHFFFAOYSA-N 0 0 546.627 3.726 40 5 KHBBRN CCOC(=O)c1ccc(-c2ccc(/C=c3\sc4nc5cc(Br)cnc5n4c3=O)o2)c([N+](=O)[O-])c1 ZINC000408721614 1066557483 /nfs/dbraw/zinc/55/74/83/1066557483.db2.gz VPSWTLFXYXVFSN-NVMNQCDNSA-N 0 0 541.339 3.959 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3OC)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000408724595 1066556987 /nfs/dbraw/zinc/55/69/87/1066556987.db2.gz AATJZSYPHNMHEO-RJFKIUDMSA-N 0 0 559.600 3.877 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3OC)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000408724599 1066556832 /nfs/dbraw/zinc/55/68/32/1066556832.db2.gz AATJZSYPHNMHEO-WPUHHHFCSA-N 0 0 559.600 3.877 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729268 1066561547 /nfs/dbraw/zinc/56/15/47/1066561547.db2.gz DCYPWIYVWZUAIN-MFUBYVTQSA-N 0 0 560.544 3.875 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729270 1066561747 /nfs/dbraw/zinc/56/17/47/1066561747.db2.gz DCYPWIYVWZUAIN-RWTNITNYSA-N 0 0 560.544 3.875 40 5 KHBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C\c3ccc([N+](=O)[O-])o3)sc2=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408729494 1066561040 /nfs/dbraw/zinc/56/10/40/1066561040.db2.gz BOZUSMKTKBKCLO-KGMZJGMTSA-N 0 0 620.596 3.904 40 5 KHBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C\c3ccc([N+](=O)[O-])o3)sc2=N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408729495 1066561186 /nfs/dbraw/zinc/56/11/86/1066561186.db2.gz BOZUSMKTKBKCLO-SDICAMPMSA-N 0 0 620.596 3.904 40 5 KHBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000408729517 1066561123 /nfs/dbraw/zinc/56/11/23/1066561123.db2.gz CAIJTONVQWRMOI-RLFCKUQXSA-N 0 0 620.596 3.904 40 5 KHBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@H]1c1ccc([N+](=O)[O-])o1 ZINC000408729518 1066561194 /nfs/dbraw/zinc/56/11/94/1066561194.db2.gz CAIJTONVQWRMOI-XQAWFANUSA-N 0 0 620.596 3.904 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729549 1066561174 /nfs/dbraw/zinc/56/11/74/1066561174.db2.gz GRACYQHIIACDQG-MFUBYVTQSA-N 0 0 531.546 3.672 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729551 1066561058 /nfs/dbraw/zinc/56/10/58/1066561058.db2.gz GRACYQHIIACDQG-RWTNITNYSA-N 0 0 531.546 3.672 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730091 1066561165 /nfs/dbraw/zinc/56/11/65/1066561165.db2.gz MZKIJFGKWYGTQX-NFYDWNOTSA-N 0 0 620.596 3.892 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(OC)cc3OC)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730093 1066561113 /nfs/dbraw/zinc/56/11/13/1066561113.db2.gz MZKIJFGKWYGTQX-ZFWDJNJRSA-N 0 0 620.596 3.892 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730104 1066561075 /nfs/dbraw/zinc/56/10/75/1066561075.db2.gz NDZCPYQDNDGLCJ-IGSWSUAKSA-N 0 0 515.547 3.967 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730106 1066561228 /nfs/dbraw/zinc/56/12/28/1066561228.db2.gz NDZCPYQDNDGLCJ-YMSBRDKKSA-N 0 0 515.547 3.967 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730493 1066560618 /nfs/dbraw/zinc/56/06/18/1066560618.db2.gz RIYPVHBCTVUHJN-MFUBYVTQSA-N 0 0 560.544 3.875 40 5 KHBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@H]1c1ccco1 ZINC000408730501 1066560767 /nfs/dbraw/zinc/56/07/67/1066560767.db2.gz GYLOUHNTULQLSQ-QARYAGPDSA-N 0 0 575.599 3.996 40 5 KHBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@@H]1c1ccco1 ZINC000408730502 1066560679 /nfs/dbraw/zinc/56/06/79/1066560679.db2.gz GYLOUHNTULQLSQ-ZSJKCPIUSA-N 0 0 575.599 3.996 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730577 1066560633 /nfs/dbraw/zinc/56/06/33/1066560633.db2.gz RIYPVHBCTVUHJN-RWTNITNYSA-N 0 0 560.544 3.875 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730726 1066560557 /nfs/dbraw/zinc/56/05/57/1066560557.db2.gz UPBZDJIKYZTMDU-CBYYHRJHSA-N 0 0 545.573 3.975 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730728 1066560601 /nfs/dbraw/zinc/56/06/01/1066560601.db2.gz UPBZDJIKYZTMDU-PNZYDNNZSA-N 0 0 545.573 3.975 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730896 1066560495 /nfs/dbraw/zinc/56/04/95/1066560495.db2.gz VNXUBDSIOCIVQD-LMSRTUJASA-N 0 0 575.599 3.984 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730898 1066560654 /nfs/dbraw/zinc/56/06/54/1066560654.db2.gz VNXUBDSIOCIVQD-RISWYLRJSA-N 0 0 575.599 3.984 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3O)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730958 1066560692 /nfs/dbraw/zinc/56/06/92/1066560692.db2.gz XBLYGQGNVZBUNR-IGSWSUAKSA-N 0 0 531.546 3.672 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3O)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730959 1066560513 /nfs/dbraw/zinc/56/05/13/1066560513.db2.gz XBLYGQGNVZBUNR-YMSBRDKKSA-N 0 0 531.546 3.672 40 5 KHBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(Cl)cc3Cl)sc2=N[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000408731049 1066560583 /nfs/dbraw/zinc/56/05/83/1066560583.db2.gz INSUNVUPHLYOJU-CQYSBYMNSA-N 0 0 508.339 3.715 40 5 KHBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(Cl)cc3Cl)sc2=N[C@H]1c1ccc([N+](=O)[O-])o1 ZINC000408731052 1066560759 /nfs/dbraw/zinc/56/07/59/1066560759.db2.gz INSUNVUPHLYOJU-ODZYNRFZSA-N 0 0 508.339 3.715 40 5 KHBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cccc(Br)c3)sc2=N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000408731070 1066560667 /nfs/dbraw/zinc/56/06/67/1066560667.db2.gz ISXXWAYXCOCULC-OLROSQPISA-N 0 0 528.384 3.578 40 5 KHBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cccc(Br)c3)sc2=N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000408731073 1066560749 /nfs/dbraw/zinc/56/07/49/1066560749.db2.gz ISXXWAYXCOCULC-ZMUHTPIZSA-N 0 0 528.384 3.578 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408731243 1066560210 /nfs/dbraw/zinc/56/02/10/1066560210.db2.gz ZEJMPJOJLNRZIX-CBYYHRJHSA-N 0 0 545.573 3.975 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408731244 1066560199 /nfs/dbraw/zinc/56/01/99/1066560199.db2.gz ZEJMPJOJLNRZIX-PNZYDNNZSA-N 0 0 545.573 3.975 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408731247 1066560294 /nfs/dbraw/zinc/56/02/94/1066560294.db2.gz ZHMXDZQPZGBONG-UTWPHBJQSA-N 0 0 559.556 3.695 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408731248 1066560776 /nfs/dbraw/zinc/56/07/76/1066560776.db2.gz ZHMXDZQPZGBONG-VPVLBGOXSA-N 0 0 559.556 3.695 40 5 KHBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(OCc4ccccc4)c(OC)c3)sc2=N[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000408731683 1066190799 /nfs/dbraw/zinc/19/07/99/1066190799.db2.gz OWPZDLPIXNLBCM-IBYCJETLSA-N 0 0 575.599 3.996 40 5 KHBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(OCc4ccccc4)c(OC)c3)sc2=N[C@H]1c1ccc([N+](=O)[O-])o1 ZINC000408731684 1066560241 /nfs/dbraw/zinc/56/02/41/1066560241.db2.gz OWPZDLPIXNLBCM-OFCKJYIJSA-N 0 0 575.599 3.996 40 5 KHBBRN CCC[C@@H]1N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2C(C)=C1C(=O)OCC ZINC000408731698 1066560153 /nfs/dbraw/zinc/56/01/53/1066560153.db2.gz PFMOCAPLJAGRCU-CFKHXJFWSA-N 0 0 551.621 3.830 40 5 KHBBRN CCC[C@H]1N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2C(C)=C1C(=O)OCC ZINC000408731699 1066560287 /nfs/dbraw/zinc/56/02/87/1066560287.db2.gz PFMOCAPLJAGRCU-DEYGKZMTSA-N 0 0 551.621 3.830 40 5 KHBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cccc(Br)c3)sc2=N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000408731753 1066560088 /nfs/dbraw/zinc/56/00/88/1066560088.db2.gz MVXIEGRUACDMCP-JKALPCAWSA-N 0 0 528.384 3.578 40 5 KHBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cccc(Br)c3)sc2=N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000408731754 1066560041 /nfs/dbraw/zinc/56/00/41/1066560041.db2.gz MVXIEGRUACDMCP-SQWSFHKJSA-N 0 0 528.384 3.578 40 5 KHBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C\c3ccco3)sc2=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408732019 1066560137 /nfs/dbraw/zinc/56/01/37/1066560137.db2.gz ODBBJKJLPARHHC-DJTCXORXSA-N 0 0 575.599 3.996 40 5 KHBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C\c3ccco3)sc2=N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408732020 1066560320 /nfs/dbraw/zinc/56/03/20/1066560320.db2.gz ODBBJKJLPARHHC-LNXFQTKESA-N 0 0 575.599 3.996 40 5 KHBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(Br)cc3)sc2=N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000408732444 1066559674 /nfs/dbraw/zinc/55/96/74/1066559674.db2.gz ROGXPGYPYSTSRP-JKALPCAWSA-N 0 0 528.384 3.578 40 5 KHBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(Br)cc3)sc2=N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000408732445 1066559607 /nfs/dbraw/zinc/55/96/07/1066559607.db2.gz ROGXPGYPYSTSRP-SQWSFHKJSA-N 0 0 528.384 3.578 40 5 KHBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc([N+](=O)[O-])cc3)sc2=N[C@@H]1c1ccc(Br)cc1 ZINC000408732465 1066559660 /nfs/dbraw/zinc/55/96/60/1066559660.db2.gz VHDBWYBBOCDZBP-JKALPCAWSA-N 0 0 528.384 3.578 40 5 KHBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc([N+](=O)[O-])cc3)sc2=N[C@H]1c1ccc(Br)cc1 ZINC000408732467 1066559632 /nfs/dbraw/zinc/55/96/32/1066559632.db2.gz VHDBWYBBOCDZBP-SQWSFHKJSA-N 0 0 528.384 3.578 40 5 KHBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C\c3ccc([N+](=O)[O-])o3)sc2=N[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000408732516 1066559742 /nfs/dbraw/zinc/55/97/42/1066559742.db2.gz WEYXBAFMWSPGPE-RJFKIUDMSA-N 0 0 575.599 3.996 40 5 KHBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C\c3ccc([N+](=O)[O-])o3)sc2=N[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000408732517 1066559643 /nfs/dbraw/zinc/55/96/43/1066559643.db2.gz WEYXBAFMWSPGPE-WPUHHHFCSA-N 0 0 575.599 3.996 40 5 KHBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3c(O)ccc4ccccc43)sc2=N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000408732853 1066559619 /nfs/dbraw/zinc/55/96/19/1066559619.db2.gz UFCGRIKJZFFKLD-IGSWSUAKSA-N 0 0 515.547 3.674 40 5 KHBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3c(O)ccc4ccccc43)sc2=N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000408732857 1066559579 /nfs/dbraw/zinc/55/95/79/1066559579.db2.gz UFCGRIKJZFFKLD-YMSBRDKKSA-N 0 0 515.547 3.674 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733034 1066559036 /nfs/dbraw/zinc/55/90/36/1066559036.db2.gz DKDSXWXMXLWPPU-QCHPHUCNSA-N 0 0 519.535 3.868 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733035 1066559237 /nfs/dbraw/zinc/55/92/37/1066559237.db2.gz DKDSXWXMXLWPPU-VZIOXZNFSA-N 0 0 519.535 3.868 40 5 KHBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cccc([N+](=O)[O-])c3)sc2=N[C@@H]1c1ccc(Br)cc1 ZINC000408733107 1066559751 /nfs/dbraw/zinc/55/97/51/1066559751.db2.gz WFRDTBXKLJZXHM-JKALPCAWSA-N 0 0 528.384 3.578 40 5 KHBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cccc([N+](=O)[O-])c3)sc2=N[C@H]1c1ccc(Br)cc1 ZINC000408733108 1066559545 /nfs/dbraw/zinc/55/95/45/1066559545.db2.gz WFRDTBXKLJZXHM-SQWSFHKJSA-N 0 0 528.384 3.578 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733351 1066559266 /nfs/dbraw/zinc/55/92/66/1066559266.db2.gz HCZNTGSHENDAHJ-PLQXQRLBSA-N 0 0 545.573 3.981 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733354 1066559061 /nfs/dbraw/zinc/55/90/61/1066559061.db2.gz HCZNTGSHENDAHJ-VVNKCDPRSA-N 0 0 545.573 3.981 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3O)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733445 1066559136 /nfs/dbraw/zinc/55/91/36/1066559136.db2.gz JJNJWTXTSLPJDM-PLQXQRLBSA-N 0 0 545.573 3.981 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3O)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733446 1066559086 /nfs/dbraw/zinc/55/90/86/1066559086.db2.gz JJNJWTXTSLPJDM-VVNKCDPRSA-N 0 0 545.573 3.981 40 5 KHBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(Br)cc3)sc2=N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000408733499 1066558041 /nfs/dbraw/zinc/55/80/41/1066558041.db2.gz YPFFLONIEOTYNJ-OLROSQPISA-N 0 0 528.384 3.578 40 5 KHBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(Br)cc3)sc2=N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000408733500 1066557949 /nfs/dbraw/zinc/55/79/49/1066557949.db2.gz YPFFLONIEOTYNJ-ZMUHTPIZSA-N 0 0 528.384 3.578 40 5 KHBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3c(O)ccc4ccccc43)sc2=N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000408733522 1066558547 /nfs/dbraw/zinc/55/85/47/1066558547.db2.gz YXSGTRRYBPDWRJ-IGSWSUAKSA-N 0 0 515.547 3.674 40 5 KHBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3c(O)ccc4ccccc43)sc2=N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000408733523 1066558628 /nfs/dbraw/zinc/55/86/28/1066558628.db2.gz YXSGTRRYBPDWRJ-YMSBRDKKSA-N 0 0 515.547 3.674 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408733847 1066559050 /nfs/dbraw/zinc/55/90/50/1066559050.db2.gz BBDMEXJPSKWTEE-IGSWSUAKSA-N 0 0 537.594 3.504 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408733848 1066559246 /nfs/dbraw/zinc/55/92/46/1066559246.db2.gz BBDMEXJPSKWTEE-YMSBRDKKSA-N 0 0 537.594 3.504 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408734476 1066559161 /nfs/dbraw/zinc/55/91/61/1066559161.db2.gz GVMPSCOBXOHLCJ-QARYAGPDSA-N 0 0 597.646 3.521 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408734478 1066559277 /nfs/dbraw/zinc/55/92/77/1066559277.db2.gz GVMPSCOBXOHLCJ-ZSJKCPIUSA-N 0 0 597.646 3.521 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408734580 1066558532 /nfs/dbraw/zinc/55/85/32/1066558532.db2.gz YNVJEGSMMGXQJL-PLQXQRLBSA-N 0 0 545.573 3.981 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408734581 1066558655 /nfs/dbraw/zinc/55/86/55/1066558655.db2.gz YNVJEGSMMGXQJL-VVNKCDPRSA-N 0 0 545.573 3.981 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408734622 1066206328 /nfs/dbraw/zinc/20/63/28/1066206328.db2.gz ZYSPCXFDKHSPSR-MFUBYVTQSA-N 0 0 530.562 3.670 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408734623 1066559200 /nfs/dbraw/zinc/55/92/00/1066559200.db2.gz ZYSPCXFDKHSPSR-RWTNITNYSA-N 0 0 530.562 3.670 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408739672 1066562020 /nfs/dbraw/zinc/56/20/20/1066562020.db2.gz ZAJYZRJVORTLLO-VLOXRPPESA-N 0 0 572.437 3.868 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408739673 1066562193 /nfs/dbraw/zinc/56/21/93/1066562193.db2.gz ZAJYZRJVORTLLO-WLJFKGHSSA-N 0 0 572.437 3.868 40 5 KHBBRN CCOC(=O)C(Sc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1)C(=O)OCC ZINC000408750398 1066567428 /nfs/dbraw/zinc/56/74/28/1066567428.db2.gz MJOVQRVYFZDZDZ-UHFFFAOYSA-N 0 0 515.525 3.592 40 5 KHBBRN CCOC(=O)C(Sc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)C(=O)OCC ZINC000408751156 1066190742 /nfs/dbraw/zinc/19/07/42/1066190742.db2.gz XCXRKEXFGKJJJE-UHFFFAOYSA-N 0 0 515.525 3.592 40 5 KHBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408752073 1066566868 /nfs/dbraw/zinc/56/68/68/1066566868.db2.gz BOTGDQCCNOVMAY-MZANGIHLSA-N 0 0 571.611 3.861 40 5 KHBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408752079 1066566854 /nfs/dbraw/zinc/56/68/54/1066566854.db2.gz BOTGDQCCNOVMAY-QFDNUGPTSA-N 0 0 571.611 3.861 40 5 KHBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000408754058 1066566517 /nfs/dbraw/zinc/56/65/17/1066566517.db2.gz SWJJCMOBBSNTNG-IGSWSUAKSA-N 0 0 515.547 3.885 40 5 KHBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000408754063 1066566465 /nfs/dbraw/zinc/56/64/65/1066566465.db2.gz SWJJCMOBBSNTNG-YMSBRDKKSA-N 0 0 515.547 3.885 40 5 KHBBRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4cc5c(cc4[N+](=O)[O-])OCO5)c(=O)n31)c1ccccc1CC2 ZINC000408756062 1066565252 /nfs/dbraw/zinc/56/52/52/1066565252.db2.gz HHFIUEGUONXXMP-CCVBWGSMSA-N 0 0 539.569 3.964 40 5 KHBBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4cc5c(cc4[N+](=O)[O-])OCO5)c(=O)n31)c1ccccc1CC2 ZINC000408756067 1066565317 /nfs/dbraw/zinc/56/53/17/1066565317.db2.gz HHFIUEGUONXXMP-ZWTBYVTRSA-N 0 0 539.569 3.964 40 5 KHBBRN O=c1/c(=C\c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(Br)c2)sc2nc3ccccc3n12 ZINC000408756782 1066565304 /nfs/dbraw/zinc/56/53/04/1066565304.db2.gz UKXVEYUJEZHLOT-UDWIEESQSA-N 0 0 558.391 3.895 40 5 KHBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1 ZINC000408757159 1066564824 /nfs/dbraw/zinc/56/48/24/1066564824.db2.gz VDGNVJBERNORBR-FGSNJIQSSA-N 0 0 541.585 3.852 40 5 KHBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000408757160 1066564694 /nfs/dbraw/zinc/56/46/94/1066564694.db2.gz VDGNVJBERNORBR-LMTOTAIGSA-N 0 0 541.585 3.852 40 5 KHBBRN COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000408757273 1066568804 /nfs/dbraw/zinc/56/88/04/1066568804.db2.gz XVTCRPICUNKZRS-RGVLZGJSSA-N 0 0 588.417 3.904 40 5 KHBBRN O=c1/c(=C\c2cc(Br)ccc2OS(=O)(=O)c2cccc([N+](=O)[O-])c2)sc2nc3ccccc3n12 ZINC000408757598 1066568986 /nfs/dbraw/zinc/56/89/86/1066568986.db2.gz ASPCTRHEEWIDHF-RGVLZGJSSA-N 0 0 558.391 3.895 40 5 KHBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408757812 1066569031 /nfs/dbraw/zinc/56/90/31/1066569031.db2.gz CMXRSWABKFSPRL-KYRGTEIWSA-N 0 0 601.637 3.870 40 5 KHBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408757813 1066568996 /nfs/dbraw/zinc/56/89/96/1066568996.db2.gz CMXRSWABKFSPRL-NKYAOSOXSA-N 0 0 601.637 3.870 40 5 KHBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408758133 1066568896 /nfs/dbraw/zinc/56/88/96/1066568896.db2.gz GWYYUAKPUIXPHQ-MZANGIHLSA-N 0 0 571.611 3.861 40 5 KHBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408758135 1066569020 /nfs/dbraw/zinc/56/90/20/1066569020.db2.gz GWYYUAKPUIXPHQ-QFDNUGPTSA-N 0 0 571.611 3.861 40 5 KHBBRN CCOc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408760024 1066567947 /nfs/dbraw/zinc/56/79/47/1066567947.db2.gz QCFLLXUIGWGMNE-HYARGMPZSA-N 0 0 523.548 3.532 40 5 KHBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408760930 1066568093 /nfs/dbraw/zinc/56/80/93/1066568093.db2.gz BATAZQWUMUGZMB-VEOZPNHKSA-N 0 0 571.611 3.861 40 5 KHBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408760932 1066567898 /nfs/dbraw/zinc/56/78/98/1066567898.db2.gz BATAZQWUMUGZMB-ZEKHAJRLSA-N 0 0 571.611 3.861 40 5 KHBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408760946 1066567927 /nfs/dbraw/zinc/56/79/27/1066567927.db2.gz BIOKERZAWUBOFS-FPDADZIKSA-N 0 0 615.620 3.590 40 5 KHBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408760949 1066567956 /nfs/dbraw/zinc/56/79/56/1066567956.db2.gz BIOKERZAWUBOFS-SXYIDQFDSA-N 0 0 615.620 3.590 40 5 KHBBRN CCOc1cc(/C=C2\SC(=N)NC2=O)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000408762013 1066570419 /nfs/dbraw/zinc/57/04/19/1066570419.db2.gz JHFUKTWYWNLPDJ-NVNXTCNLSA-N 0 0 528.362 3.662 40 5 KHBBRN COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408762059 1066190735 /nfs/dbraw/zinc/19/07/35/1066190735.db2.gz CHUKUENICMKWQU-UDWIEESQSA-N 0 0 588.417 3.904 40 5 KHBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408765286 1066569941 /nfs/dbraw/zinc/56/99/41/1066569941.db2.gz XOIULXCTAMYKNT-CWJUKMOQSA-N 0 0 631.663 3.878 40 5 KHBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408765295 1066569949 /nfs/dbraw/zinc/56/99/49/1066569949.db2.gz XOIULXCTAMYKNT-SFKHYTNKSA-N 0 0 631.663 3.878 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@H]1c1cccs1 ZINC000408766569 1066569249 /nfs/dbraw/zinc/56/92/49/1066569249.db2.gz CZKQVUUGXVMEKL-QARYAGPDSA-N 0 0 634.717 3.960 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@@H]1c1cccs1 ZINC000408766571 1066569412 /nfs/dbraw/zinc/56/94/12/1066569412.db2.gz CZKQVUUGXVMEKL-ZSJKCPIUSA-N 0 0 634.717 3.960 40 5 KHBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC)c([N+](=O)[O-])c4)c(=O)n32)c1 ZINC000408766699 1066569003 /nfs/dbraw/zinc/56/90/03/1066569003.db2.gz DJPCHEUQGPSBPU-LMSRTUJASA-N 0 0 556.600 3.799 40 5 KHBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC)c([N+](=O)[O-])c4)c(=O)n32)c1 ZINC000408766703 1066568832 /nfs/dbraw/zinc/56/88/32/1066568832.db2.gz DJPCHEUQGPSBPU-RISWYLRJSA-N 0 0 556.600 3.799 40 5 KHBBRN O=c1/c(=C\c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c(Br)c2)sc2nc3ccccc3n12 ZINC000408766975 1066210961 /nfs/dbraw/zinc/21/09/61/1066210961.db2.gz UMCTZPBJDXYMNT-RGVLZGJSSA-N 0 0 558.391 3.895 40 5 KHBBRN CCOc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000408767622 1066210944 /nfs/dbraw/zinc/21/09/44/1066210944.db2.gz ZBQQWLGFDZHNOK-LPYMAVHISA-N 0 0 523.548 3.532 40 5 KHBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n32)c1 ZINC000408768091 1066574551 /nfs/dbraw/zinc/57/45/51/1066574551.db2.gz HWOYHCBMEJOWQQ-GJFKPFFXSA-N 0 0 526.574 3.791 40 5 KHBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n32)c1 ZINC000408768093 1066574436 /nfs/dbraw/zinc/57/44/36/1066574436.db2.gz HWOYHCBMEJOWQQ-LWUPDDLQSA-N 0 0 526.574 3.791 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408769727 1066573458 /nfs/dbraw/zinc/57/34/58/1066573458.db2.gz OEQDWHXJVDPBDP-IBGAUWDRSA-N 0 0 648.488 3.503 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408769728 1066573607 /nfs/dbraw/zinc/57/36/07/1066573607.db2.gz OEQDWHXJVDPBDP-SKYXIMHFSA-N 0 0 648.488 3.503 40 5 KHBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n32)c1 ZINC000408770227 1066573507 /nfs/dbraw/zinc/57/35/07/1066573507.db2.gz UXTJDSRUJJSAHT-GJFKPFFXSA-N 0 0 526.574 3.791 40 5 KHBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n32)c1 ZINC000408770228 1066573565 /nfs/dbraw/zinc/57/35/65/1066573565.db2.gz UXTJDSRUJJSAHT-LWUPDDLQSA-N 0 0 526.574 3.791 40 5 KHBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(OC)c(OC)cc4[N+](=O)[O-])c(=O)n32)c1 ZINC000408770558 1066212158 /nfs/dbraw/zinc/21/21/58/1066212158.db2.gz YZQFXPJQDJZGGY-MFCBUNOESA-N 0 0 586.626 3.808 40 5 KHBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(OC)c(OC)cc4[N+](=O)[O-])c(=O)n32)c1 ZINC000408770559 1066571022 /nfs/dbraw/zinc/57/10/22/1066571022.db2.gz YZQFXPJQDJZGGY-SUAMDDGLSA-N 0 0 586.626 3.808 40 5 KHBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc5c(cc4[N+](=O)[O-])OCO5)c(=O)n32)c1 ZINC000408770661 1066571081 /nfs/dbraw/zinc/57/10/81/1066571081.db2.gz ZXJURKRFAQEJRL-NFYDWNOTSA-N 0 0 570.583 3.519 40 5 KHBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc5c(cc4[N+](=O)[O-])OCO5)c(=O)n32)c1 ZINC000408770662 1066571010 /nfs/dbraw/zinc/57/10/10/1066571010.db2.gz ZXJURKRFAQEJRL-ZFWDJNJRSA-N 0 0 570.583 3.519 40 5 KHBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408772870 1066572728 /nfs/dbraw/zinc/57/27/28/1066572728.db2.gz IRKUZLSXICOUTK-HZHYMEEXSA-N 0 0 559.575 3.992 40 5 KHBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408772872 1066212164 /nfs/dbraw/zinc/21/21/64/1066212164.db2.gz IRKUZLSXICOUTK-VFHYMGCCSA-N 0 0 559.575 3.992 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1cccs1 ZINC000408773197 1066212201 /nfs/dbraw/zinc/21/22/01/1066212201.db2.gz TYTYVFFIBMRWNW-CBYYHRJHSA-N 0 0 625.706 3.844 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1cccs1 ZINC000408773201 1066572603 /nfs/dbraw/zinc/57/26/03/1066572603.db2.gz TYTYVFFIBMRWNW-PNZYDNNZSA-N 0 0 625.706 3.844 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408775642 1066572028 /nfs/dbraw/zinc/57/20/28/1066572028.db2.gz QYCVJUYATDUXSD-MFCBUNOESA-N 0 0 637.667 3.922 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408775648 1066572005 /nfs/dbraw/zinc/57/20/05/1066572005.db2.gz QYCVJUYATDUXSD-SUAMDDGLSA-N 0 0 637.667 3.922 40 5 KHBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408778148 1066576566 /nfs/dbraw/zinc/57/65/66/1066576566.db2.gz BYWDJJSQFJEFIQ-GJISQHIDSA-N 0 0 529.549 3.983 40 5 KHBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408778149 1066576455 /nfs/dbraw/zinc/57/64/55/1066576455.db2.gz BYWDJJSQFJEFIQ-YVVITCHPSA-N 0 0 529.549 3.983 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408778778 1066575997 /nfs/dbraw/zinc/57/59/97/1066575997.db2.gz KLASYJCJUADPMM-GTWFGUSFSA-N 0 0 623.640 3.613 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408778779 1066576092 /nfs/dbraw/zinc/57/60/92/1066576092.db2.gz KLASYJCJUADPMM-SJJVXOANSA-N 0 0 623.640 3.613 40 5 KHBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408779076 1066213045 /nfs/dbraw/zinc/21/30/45/1066213045.db2.gz QIVBNCNTLPYMNU-GJISQHIDSA-N 0 0 529.549 3.983 40 5 KHBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408779077 1066575951 /nfs/dbraw/zinc/57/59/51/1066575951.db2.gz QIVBNCNTLPYMNU-YVVITCHPSA-N 0 0 529.549 3.983 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1cccs1 ZINC000408780321 1066575549 /nfs/dbraw/zinc/57/55/49/1066575549.db2.gz XIZBGPYQCAPXJD-IGSWSUAKSA-N 0 0 575.624 3.987 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1cccs1 ZINC000408780324 1066575561 /nfs/dbraw/zinc/57/55/61/1066575561.db2.gz XIZBGPYQCAPXJD-YMSBRDKKSA-N 0 0 575.624 3.987 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1cccs1 ZINC000408781220 1066575681 /nfs/dbraw/zinc/57/56/81/1066575681.db2.gz BLTKGEQPNPDALT-DLBLZJNESA-N 0 0 611.679 3.536 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1cccs1 ZINC000408781223 1066575613 /nfs/dbraw/zinc/57/56/13/1066575613.db2.gz BLTKGEQPNPDALT-FCKOQQNDSA-N 0 0 611.679 3.536 40 5 KHBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408791333 1066578853 /nfs/dbraw/zinc/57/88/53/1066578853.db2.gz WDTVUSXBWHHZBP-QNCNLXEUSA-N 0 0 519.510 3.576 40 5 KHBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408791334 1066578877 /nfs/dbraw/zinc/57/88/77/1066578877.db2.gz WDTVUSXBWHHZBP-SCFJIEIRSA-N 0 0 519.510 3.576 40 5 KHBBRN CCOC(=O)COc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)cc1[N+](=O)[O-] ZINC000408821051 1066584702 /nfs/dbraw/zinc/58/47/02/1066584702.db2.gz BWKSXWXVDMPJCR-GLSAMTQTSA-N 0 0 674.526 3.810 40 5 KHBBRN CCOC(=O)COc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)cc1[N+](=O)[O-] ZINC000408821052 1066584743 /nfs/dbraw/zinc/58/47/43/1066584743.db2.gz BWKSXWXVDMPJCR-WDONWYDGSA-N 0 0 674.526 3.810 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408823836 1066583607 /nfs/dbraw/zinc/58/36/07/1066583607.db2.gz FNETUAJVTHKBAB-PRWBYUBPSA-N 0 0 572.437 3.786 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408823838 1066583673 /nfs/dbraw/zinc/58/36/73/1066583673.db2.gz FNETUAJVTHKBAB-SRKIZSPNSA-N 0 0 572.437 3.786 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])c(OC)cc3OC)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408824208 1066583751 /nfs/dbraw/zinc/58/37/51/1066583751.db2.gz HJCJTBZBENLZFU-ITIZVALFSA-N 0 0 567.620 3.511 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])c(OC)cc3OC)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408824210 1066583688 /nfs/dbraw/zinc/58/36/88/1066583688.db2.gz HJCJTBZBENLZFU-YXDQGSNCSA-N 0 0 567.620 3.511 40 5 KHBBRN CCOC(=O)COc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1[N+](=O)[O-] ZINC000408827686 1066217703 /nfs/dbraw/zinc/21/77/03/1066217703.db2.gz LVBNMEQOKSRSFA-DNQIBQKISA-N 0 0 644.500 3.719 40 5 KHBBRN CCOC(=O)COc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1[N+](=O)[O-] ZINC000408827689 1066591249 /nfs/dbraw/zinc/59/12/49/1066591249.db2.gz LVBNMEQOKSRSFA-NIQJEMAJSA-N 0 0 644.500 3.719 40 5 KHBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408828314 1066587509 /nfs/dbraw/zinc/58/75/09/1066587509.db2.gz MAGWCARYVXLLFF-DPWKNNTCSA-N 0 0 567.929 3.911 40 5 KHBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408828317 1066587456 /nfs/dbraw/zinc/58/74/56/1066587456.db2.gz MAGWCARYVXLLFF-XGHXRCDJSA-N 0 0 567.929 3.911 40 5 KHBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408829297 1066590515 /nfs/dbraw/zinc/59/05/15/1066590515.db2.gz PANINXYIRDPVDX-FBHQFGEZSA-N 0 0 623.009 3.739 40 5 KHBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408829303 1066590537 /nfs/dbraw/zinc/59/05/37/1066590537.db2.gz PANINXYIRDPVDX-PZHBDVNGSA-N 0 0 623.009 3.739 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408829431 1066590366 /nfs/dbraw/zinc/59/03/66/1066590366.db2.gz OJKWVRNTMJXNRB-PRWBYUBPSA-N 0 0 619.437 3.628 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408829474 1066590387 /nfs/dbraw/zinc/59/03/87/1066590387.db2.gz OJKWVRNTMJXNRB-SRKIZSPNSA-N 0 0 619.437 3.628 40 5 KHBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408829534 1066589887 /nfs/dbraw/zinc/58/98/87/1066589887.db2.gz LGXKKWFHKDDODS-IABUVPNTSA-N 0 0 581.912 3.631 40 5 KHBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408829559 1066218953 /nfs/dbraw/zinc/21/89/53/1066218953.db2.gz LGXKKWFHKDDODS-OGHDXOPJSA-N 0 0 581.912 3.631 40 5 KHBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408832633 1066587060 /nfs/dbraw/zinc/58/70/60/1066587060.db2.gz VJNAVMHRMWYWCE-MUMAZLPKSA-N 0 0 537.903 3.902 40 5 KHBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408832637 1066587008 /nfs/dbraw/zinc/58/70/08/1066587008.db2.gz VJNAVMHRMWYWCE-QMJOVRGKSA-N 0 0 537.903 3.902 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408836324 1066587505 /nfs/dbraw/zinc/58/75/05/1066587505.db2.gz PYYWSOMMDUZNKO-ITIZVALFSA-N 0 0 567.620 3.511 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408836325 1066587445 /nfs/dbraw/zinc/58/74/45/1066587445.db2.gz PYYWSOMMDUZNKO-YXDQGSNCSA-N 0 0 567.620 3.511 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408836865 1066586562 /nfs/dbraw/zinc/58/65/62/1066586562.db2.gz WKDOHEADKLCLAD-MGSPXPDISA-N 0 0 537.594 3.502 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408836866 1066219476 /nfs/dbraw/zinc/21/94/76/1066219476.db2.gz WKDOHEADKLCLAD-XPCGLTFESA-N 0 0 537.594 3.502 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408837115 1066219435 /nfs/dbraw/zinc/21/94/35/1066219435.db2.gz YYHRZTTVQIQUAH-MGSPXPDISA-N 0 0 521.595 3.802 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408837116 1066587483 /nfs/dbraw/zinc/58/74/83/1066587483.db2.gz YYHRZTTVQIQUAH-XPCGLTFESA-N 0 0 521.595 3.802 40 5 KHBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408839877 1066220197 /nfs/dbraw/zinc/22/01/97/1066220197.db2.gz CYGATWJJZHOMLD-JYWRCUDFSA-N 0 0 597.955 3.920 40 5 KHBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408839881 1066219930 /nfs/dbraw/zinc/21/99/30/1066219930.db2.gz CYGATWJJZHOMLD-JZVSFUAJSA-N 0 0 597.955 3.920 40 5 KHBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408841186 1066220178 /nfs/dbraw/zinc/22/01/78/1066220178.db2.gz JJZVTVXWIJHPSJ-MUMAZLPKSA-N 0 0 537.903 3.902 40 5 KHBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408841187 1066592286 /nfs/dbraw/zinc/59/22/86/1066592286.db2.gz JJZVTVXWIJHPSJ-QMJOVRGKSA-N 0 0 537.903 3.902 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000408842020 1066592172 /nfs/dbraw/zinc/59/21/72/1066592172.db2.gz NIOPOQPNVHOWDA-UTWPHBJQSA-N 0 0 577.546 3.834 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000408842022 1066592364 /nfs/dbraw/zinc/59/23/64/1066592364.db2.gz NIOPOQPNVHOWDA-VPVLBGOXSA-N 0 0 577.546 3.834 40 5 KHBBRN O=c1/c(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408843053 1066592231 /nfs/dbraw/zinc/59/22/31/1066592231.db2.gz LLEKQWGXSAGLIU-AURKMBPUSA-N 0 0 554.540 3.864 40 5 KHBBRN O=c1/c(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408843057 1066592095 /nfs/dbraw/zinc/59/20/95/1066592095.db2.gz LLEKQWGXSAGLIU-GXIJPSQLSA-N 0 0 554.540 3.864 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408846749 1066593088 /nfs/dbraw/zinc/59/30/88/1066593088.db2.gz KUDRJJVYLZHLFV-PLQXQRLBSA-N 0 0 567.620 3.511 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000408846753 1066593071 /nfs/dbraw/zinc/59/30/71/1066593071.db2.gz KUDRJJVYLZHLFV-VVNKCDPRSA-N 0 0 567.620 3.511 40 5 KHBBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc([N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000408847249 1066593180 /nfs/dbraw/zinc/59/31/80/1066593180.db2.gz QHGQQKLACBEMRX-HVUZKSCUSA-N 0 0 530.562 3.774 40 5 KHBBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc([N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000408847250 1066220705 /nfs/dbraw/zinc/22/07/05/1066220705.db2.gz QHGQQKLACBEMRX-VNSJDZJPSA-N 0 0 530.562 3.774 40 5 KHBBRN O=c1/c(=C\c2ccc3c(c2)OCO3)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408848345 1066595908 /nfs/dbraw/zinc/59/59/08/1066595908.db2.gz VXSPTNLRIBBIBF-DJTCXORXSA-N 0 0 509.543 3.956 40 5 KHBBRN O=c1/c(=C\c2ccc3c(c2)OCO3)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408848349 1066220786 /nfs/dbraw/zinc/22/07/86/1066220786.db2.gz VXSPTNLRIBBIBF-LNXFQTKESA-N 0 0 509.543 3.956 40 5 KHBBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc5c(cc4[N+](=O)[O-])OCO5)c(=O)n32)cc1 ZINC000408849135 1066595821 /nfs/dbraw/zinc/59/58/21/1066595821.db2.gz VCRSTRQJZUJBEM-IYVASWNSSA-N 0 0 584.610 3.910 40 5 KHBBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc5c(cc4[N+](=O)[O-])OCO5)c(=O)n32)cc1 ZINC000408849137 1066595763 /nfs/dbraw/zinc/59/57/63/1066595763.db2.gz VCRSTRQJZUJBEM-ORVZPOCUSA-N 0 0 584.610 3.910 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000408859585 1066597764 /nfs/dbraw/zinc/59/77/64/1066597764.db2.gz YJNIBHUZLWUXMS-IGSWSUAKSA-N 0 0 537.594 3.502 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408859586 1066597820 /nfs/dbraw/zinc/59/78/20/1066597820.db2.gz YJNIBHUZLWUXMS-YMSBRDKKSA-N 0 0 537.594 3.502 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000408873735 1066598567 /nfs/dbraw/zinc/59/85/67/1066598567.db2.gz VGNKWFDFTHLZTD-UTWPHBJQSA-N 0 0 543.557 3.588 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000408873737 1066223931 /nfs/dbraw/zinc/22/39/31/1066223931.db2.gz VGNKWFDFTHLZTD-VPVLBGOXSA-N 0 0 543.557 3.588 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000408877914 1066224691 /nfs/dbraw/zinc/22/46/91/1066224691.db2.gz XZXACTUHSAMBDI-QARYAGPDSA-N 0 0 559.600 3.877 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000408877915 1066599944 /nfs/dbraw/zinc/59/99/44/1066599944.db2.gz XZXACTUHSAMBDI-ZSJKCPIUSA-N 0 0 559.600 3.877 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000408906995 1066227263 /nfs/dbraw/zinc/22/72/63/1066227263.db2.gz FVQLETCFTMJROF-IMEWXKHHSA-N 0 0 602.463 3.876 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000408906996 1066601997 /nfs/dbraw/zinc/60/19/97/1066601997.db2.gz FVQLETCFTMJROF-WVWKGNOCSA-N 0 0 602.463 3.876 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000408907885 1066605426 /nfs/dbraw/zinc/60/54/26/1066605426.db2.gz PWEKFKYJUDEOLI-IMEWXKHHSA-N 0 0 558.012 3.767 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000408907886 1066228216 /nfs/dbraw/zinc/22/82/16/1066228216.db2.gz PWEKFKYJUDEOLI-WVWKGNOCSA-N 0 0 558.012 3.767 40 5 KHBBRN COC(=O)COc1c(I)cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000408916252 1066606105 /nfs/dbraw/zinc/60/61/05/1066606105.db2.gz AFKLONWISYZXQC-RQZCQDPDSA-N 0 0 584.344 3.996 40 5 KHBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4N4CCOCC4)c(=O)n32)cc1 ZINC000408919717 1066229024 /nfs/dbraw/zinc/22/90/24/1066229024.db2.gz BQNQNPXLUOJHRD-GTWFGUSFSA-N 0 0 594.715 3.654 40 5 KHBBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4N4CCOCC4)c(=O)n32)cc1 ZINC000408919718 1066612610 /nfs/dbraw/zinc/61/26/10/1066612610.db2.gz BQNQNPXLUOJHRD-SJJVXOANSA-N 0 0 594.715 3.654 40 5 KHBBRN COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1[N+](=O)[O-] ZINC000408920013 1066228791 /nfs/dbraw/zinc/22/87/91/1066228791.db2.gz GGNOOPGWJFJRPX-QCHPHUCNSA-N 0 0 539.635 3.826 40 5 KHBBRN COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1[N+](=O)[O-] ZINC000408920014 1066612591 /nfs/dbraw/zinc/61/25/91/1066612591.db2.gz GGNOOPGWJFJRPX-VZIOXZNFSA-N 0 0 539.635 3.826 40 5 KHBBRN COc1ccc(N(CC(=O)NCCSCc2ccco2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000408922334 1066610649 /nfs/dbraw/zinc/61/06/49/1066610649.db2.gz ZIOCAGRPDGPZQO-UHFFFAOYSA-N 0 0 519.601 3.750 40 5 KHBBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc5c(cc4[N+](=O)[O-])OCO5)c(=O)n32)cc1 ZINC000408926496 1066608391 /nfs/dbraw/zinc/60/83/91/1066608391.db2.gz UNIHCKLQVOCIKP-WNOXZJQASA-N 0 0 553.618 3.546 40 5 KHBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc5c(cc4[N+](=O)[O-])OCO5)c(=O)n32)cc1 ZINC000408926501 1066608464 /nfs/dbraw/zinc/60/84/64/1066608464.db2.gz UNIHCKLQVOCIKP-YVLHRROSSA-N 0 0 553.618 3.546 40 5 KHBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n32)cc1OCC ZINC000408932669 1066618181 /nfs/dbraw/zinc/61/81/81/1066618181.db2.gz DJVQEZVCWDJEES-MJRUJHQZSA-N 0 0 575.599 3.984 40 5 KHBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n32)cc1OCC ZINC000408932670 1066618168 /nfs/dbraw/zinc/61/81/68/1066618168.db2.gz DJVQEZVCWDJEES-MLGNGQMDSA-N 0 0 575.599 3.984 40 5 KHBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5OC)o4)c(=O)n32)cc1OCC ZINC000408933099 1066234144 /nfs/dbraw/zinc/23/41/44/1066234144.db2.gz HLYSORLCJSSYFQ-WUVWWEORSA-N 0 0 605.625 3.992 40 5 KHBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5OC)o4)c(=O)n32)cc1OCC ZINC000408933100 1066234081 /nfs/dbraw/zinc/23/40/81/1066234081.db2.gz HLYSORLCJSSYFQ-YXXAWSHNSA-N 0 0 605.625 3.992 40 5 KHBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc([N+](=O)[O-])ccc4N4CCCCC4)c(=O)n32)cc1OCC ZINC000408934068 1066234232 /nfs/dbraw/zinc/23/42/32/1066234232.db2.gz CMRNGHYEGFCFRD-IEMMCJMXSA-N 0 0 592.674 3.714 40 5 KHBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc([N+](=O)[O-])ccc4N4CCCCC4)c(=O)n32)cc1OCC ZINC000408934070 1066615074 /nfs/dbraw/zinc/61/50/74/1066615074.db2.gz CMRNGHYEGFCFRD-NLXUKWATSA-N 0 0 592.674 3.714 40 5 KHBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n32)cc1OCC ZINC000408935214 1066234980 /nfs/dbraw/zinc/23/49/80/1066234980.db2.gz MZSOTKLCGPWLKY-HFMVAQMMSA-N 0 0 575.599 3.984 40 5 KHBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n32)cc1OCC ZINC000408935215 1066616889 /nfs/dbraw/zinc/61/68/89/1066616889.db2.gz MZSOTKLCGPWLKY-OMXAIKKXSA-N 0 0 575.599 3.984 40 5 KHBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408936195 1066615729 /nfs/dbraw/zinc/61/57/29/1066615729.db2.gz FTONNPPXRPTEOS-IGSWSUAKSA-N 0 0 565.007 3.769 40 5 KHBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408936199 1066616303 /nfs/dbraw/zinc/61/63/03/1066616303.db2.gz FTONNPPXRPTEOS-YMSBRDKKSA-N 0 0 565.007 3.769 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N(C)C)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408936984 1066233950 /nfs/dbraw/zinc/23/39/50/1066233950.db2.gz JAMSQQJXGHWTHF-XSZPGNIMSA-N 0 0 550.637 3.560 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N(C)C)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408936987 1066234177 /nfs/dbraw/zinc/23/41/77/1066234177.db2.gz JAMSQQJXGHWTHF-XXMKCSCWSA-N 0 0 550.637 3.560 40 5 KHBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408938418 1066236758 /nfs/dbraw/zinc/23/67/58/1066236758.db2.gz HTEFRIXQPHUZGU-IGSWSUAKSA-N 0 0 565.007 3.769 40 5 KHBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408938420 1066236781 /nfs/dbraw/zinc/23/67/81/1066236781.db2.gz HTEFRIXQPHUZGU-YMSBRDKKSA-N 0 0 565.007 3.769 40 5 KHBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(-c5cc([N+](=O)[O-])ccc5OC)o4)c(=O)n32)cc1OCC ZINC000408939025 1066625518 /nfs/dbraw/zinc/62/55/18/1066625518.db2.gz HWEKVHZGAKPSIB-ROVVGBDQSA-N 0 0 605.625 3.992 40 5 KHBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(-c5cc([N+](=O)[O-])ccc5OC)o4)c(=O)n32)cc1OCC ZINC000408939031 1066235724 /nfs/dbraw/zinc/23/57/24/1066235724.db2.gz HWEKVHZGAKPSIB-VXRCAMJYSA-N 0 0 605.625 3.992 40 5 KHBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n32)cc1OCC ZINC000408941553 1066623682 /nfs/dbraw/zinc/62/36/82/1066623682.db2.gz WDKGJTBIHVTGSK-HFMVAQMMSA-N 0 0 575.599 3.984 40 5 KHBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n32)cc1OCC ZINC000408941556 1066623872 /nfs/dbraw/zinc/62/38/72/1066623872.db2.gz WDKGJTBIHVTGSK-OMXAIKKXSA-N 0 0 575.599 3.984 40 5 KHBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n21 ZINC000408943476 1066618683 /nfs/dbraw/zinc/61/86/83/1066618683.db2.gz FTYSHYLJTASNSH-WWIFIJJQSA-N 0 0 616.446 3.595 40 5 KHBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n21 ZINC000408943480 1066618810 /nfs/dbraw/zinc/61/88/10/1066618810.db2.gz FTYSHYLJTASNSH-WWVYDVAGSA-N 0 0 616.446 3.595 40 5 KHBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCC)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408944472 1066618732 /nfs/dbraw/zinc/61/87/32/1066618732.db2.gz MOWVFCPEADQCFG-GSFLASDGSA-N 0 0 632.489 3.885 40 5 KHBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCC)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408944474 1066618816 /nfs/dbraw/zinc/61/88/16/1066618816.db2.gz MOWVFCPEADQCFG-PKGQOAHCSA-N 0 0 632.489 3.885 40 5 KHBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)c(=O)n32)cc1OCC ZINC000408947549 1066633094 /nfs/dbraw/zinc/63/30/94/1066633094.db2.gz QJDNLLNORPMFPC-ROVVGBDQSA-N 0 0 605.625 3.992 40 5 KHBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)c(=O)n32)cc1OCC ZINC000408947554 1066632998 /nfs/dbraw/zinc/63/29/98/1066632998.db2.gz QJDNLLNORPMFPC-VXRCAMJYSA-N 0 0 605.625 3.992 40 5 KHBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n21 ZINC000408948507 1066240403 /nfs/dbraw/zinc/24/04/03/1066240403.db2.gz KNXRJBMCBHFTFB-IYMWYRQMSA-N 0 0 572.437 3.866 40 5 KHBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n21 ZINC000408948510 1066631598 /nfs/dbraw/zinc/63/15/98/1066631598.db2.gz KNXRJBMCBHFTFB-VMOHIOPYSA-N 0 0 572.437 3.866 40 5 KHBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc([N+](=O)[O-])ccc4N(CC)CC)c(=O)n32)cc1OCC ZINC000408948959 1066630810 /nfs/dbraw/zinc/63/08/10/1066630810.db2.gz RTQCOMDXXOYJBS-HMUDIZEXSA-N 0 0 580.663 3.570 40 5 KHBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc([N+](=O)[O-])ccc4N(CC)CC)c(=O)n32)cc1OCC ZINC000408948966 1066240921 /nfs/dbraw/zinc/24/09/21/1066240921.db2.gz RTQCOMDXXOYJBS-PKVQIGPHSA-N 0 0 580.663 3.570 40 5 KHBBRN O=C1N/C(=C\c2cc(Br)c(I)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000408951772 1066239799 /nfs/dbraw/zinc/23/97/99/1066239799.db2.gz JZWBIXUWKMECLJ-SDQBBNPISA-N 0 0 518.061 3.648 40 5 KHBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n21 ZINC000408956275 1066634017 /nfs/dbraw/zinc/63/40/17/1066634017.db2.gz RCMDLOAUDJAVSA-IYMWYRQMSA-N 0 0 572.437 3.866 40 5 KHBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n21 ZINC000408956278 1066634060 /nfs/dbraw/zinc/63/40/60/1066634060.db2.gz RCMDLOAUDJAVSA-VMOHIOPYSA-N 0 0 572.437 3.866 40 5 KHBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n21 ZINC000408958103 1066243680 /nfs/dbraw/zinc/24/36/80/1066243680.db2.gz VDMYDBYMJYNXBV-GSOQPGDSSA-N 0 0 602.463 3.875 40 5 KHBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n21 ZINC000408958104 1066642948 /nfs/dbraw/zinc/64/29/48/1066642948.db2.gz VDMYDBYMJYNXBV-YOURIZNBSA-N 0 0 602.463 3.875 40 5 KHBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n21 ZINC000408958738 1066642416 /nfs/dbraw/zinc/64/24/16/1066642416.db2.gz WNWCUPVVBKDWRB-QARYAGPDSA-N 0 0 657.543 3.703 40 5 KHBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n21 ZINC000408958739 1066642346 /nfs/dbraw/zinc/64/23/46/1066642346.db2.gz WNWCUPVVBKDWRB-ZSJKCPIUSA-N 0 0 657.543 3.703 40 5 KHBBRN O=C(Cn1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc21)N1CCOCC1 ZINC000408959928 1066640348 /nfs/dbraw/zinc/64/03/48/1066640348.db2.gz AQXMHHRDHCKING-XKZIYDEJSA-N 0 0 506.540 3.645 40 5 KHBBRN O=C(Cn1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21)N1CCOCC1 ZINC000408962130 1066639455 /nfs/dbraw/zinc/63/94/55/1066639455.db2.gz QEFMXPUHMDOICO-XKZIYDEJSA-N 0 0 506.540 3.645 40 5 KHBBRN CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(Br)c([N+](=O)[O-])c3)c(=O)n21 ZINC000408970843 1066645763 /nfs/dbraw/zinc/64/57/63/1066645763.db2.gz LDUVJYWOYPSRHM-XOYGFPHKSA-N 0 0 632.489 3.503 40 5 KHBBRN CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(Br)c([N+](=O)[O-])c3)c(=O)n21 ZINC000408970844 1066645817 /nfs/dbraw/zinc/64/58/17/1066645817.db2.gz LDUVJYWOYPSRHM-YJADQXIJSA-N 0 0 632.489 3.503 40 5 KHBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n32)c(OC)c1 ZINC000408975363 1066647083 /nfs/dbraw/zinc/64/70/83/1066647083.db2.gz ATFSIZAISKAAJG-LMSRTUJASA-N 0 0 556.600 3.799 40 5 KHBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n32)c(OC)c1 ZINC000408975364 1066646990 /nfs/dbraw/zinc/64/69/90/1066646990.db2.gz ATFSIZAISKAAJG-RISWYLRJSA-N 0 0 556.600 3.799 40 5 KHBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(OC)c(OC)cc4[N+](=O)[O-])c(=O)n32)c(OC)c1 ZINC000408978498 1066654199 /nfs/dbraw/zinc/65/41/99/1066654199.db2.gz MMIYWTAOZISTII-DQARITGZSA-N 0 0 616.652 3.817 40 5 KHBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(OC)c(OC)cc4[N+](=O)[O-])c(=O)n32)c(OC)c1 ZINC000408978499 1066654268 /nfs/dbraw/zinc/65/42/68/1066654268.db2.gz MMIYWTAOZISTII-YRSDHNRQSA-N 0 0 616.652 3.817 40 5 KHBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC)c([N+](=O)[O-])c4)c(=O)n32)c(OC)c1 ZINC000408979410 1066653494 /nfs/dbraw/zinc/65/34/94/1066653494.db2.gz QLFHZDSRJNAHSJ-MFCBUNOESA-N 0 0 586.626 3.808 40 5 KHBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC)c([N+](=O)[O-])c4)c(=O)n32)c(OC)c1 ZINC000408979411 1066653553 /nfs/dbraw/zinc/65/35/53/1066653553.db2.gz QLFHZDSRJNAHSJ-SUAMDDGLSA-N 0 0 586.626 3.808 40 5 KHBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n32)c(OC)c1 ZINC000408979906 1066653534 /nfs/dbraw/zinc/65/35/34/1066653534.db2.gz SZSOGZWJADQQEZ-LMSRTUJASA-N 0 0 556.600 3.799 40 5 KHBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n32)c(OC)c1 ZINC000408979908 1066246336 /nfs/dbraw/zinc/24/63/36/1066246336.db2.gz SZSOGZWJADQQEZ-RISWYLRJSA-N 0 0 556.600 3.799 40 5 KHBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc5c(cc4[N+](=O)[O-])OCO5)c(=O)n32)c(OC)c1 ZINC000408980360 1066652902 /nfs/dbraw/zinc/65/29/02/1066652902.db2.gz VUTKOOUMYWPPRV-KCQXITDRSA-N 0 0 600.609 3.528 40 5 KHBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc5c(cc4[N+](=O)[O-])OCO5)c(=O)n32)c(OC)c1 ZINC000408980361 1066246036 /nfs/dbraw/zinc/24/60/36/1066246036.db2.gz VUTKOOUMYWPPRV-LRAMOIDDSA-N 0 0 600.609 3.528 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000408982265 1066651468 /nfs/dbraw/zinc/65/14/68/1066651468.db2.gz CZOGZKYZSJYVEM-PKYOQBLNSA-N 0 0 679.729 3.882 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000408982267 1066651571 /nfs/dbraw/zinc/65/15/71/1066651571.db2.gz CZOGZKYZSJYVEM-USDTVRPUSA-N 0 0 679.729 3.882 40 5 KHBBRN O=C(Nc1cc(F)ccc1[N+](=O)[O-])[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 ZINC000408985166 1066649256 /nfs/dbraw/zinc/64/92/56/1066649256.db2.gz ABCNBQLJFCZWEP-IBGZPJMESA-N 0 0 569.352 3.867 40 5 KHBBRN O=C(Nc1cc(F)ccc1[N+](=O)[O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 ZINC000408985167 1066246307 /nfs/dbraw/zinc/24/63/07/1066246307.db2.gz ABCNBQLJFCZWEP-LJQANCHMSA-N 0 0 569.352 3.867 40 5 KHBBRN COc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc1[N+](=O)[O-] ZINC000408987975 1066658404 /nfs/dbraw/zinc/65/84/04/1066658404.db2.gz GNOIZIMIEKVIOM-IBGZPJMESA-N 0 0 581.388 3.736 40 5 KHBBRN COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc1[N+](=O)[O-] ZINC000408987977 1066247675 /nfs/dbraw/zinc/24/76/75/1066247675.db2.gz GNOIZIMIEKVIOM-LJQANCHMSA-N 0 0 581.388 3.736 40 5 KHBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408993789 1066248836 /nfs/dbraw/zinc/24/88/36/1066248836.db2.gz FUOQTRKFDDGJIE-HZHYMEEXSA-N 0 0 541.585 3.852 40 5 KHBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408993790 1066248808 /nfs/dbraw/zinc/24/88/08/1066248808.db2.gz FUOQTRKFDDGJIE-VFHYMGCCSA-N 0 0 541.585 3.852 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N(CC)CC)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408995992 1066659021 /nfs/dbraw/zinc/65/90/21/1066659021.db2.gz GHTXRXVJLLUCSG-ASSGYOTOSA-N 0 0 564.664 3.951 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N(CC)CC)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408995994 1066658953 /nfs/dbraw/zinc/65/89/53/1066658953.db2.gz GHTXRXVJLLUCSG-OGRZUZBBSA-N 0 0 564.664 3.951 40 5 KHBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408997083 1066658963 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CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409085640 1066710820 /nfs/dbraw/zinc/71/08/20/1066710820.db2.gz CLAVANURFCYJTP-MGSPXPDISA-N 0 0 589.655 3.656 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409085642 1066710552 /nfs/dbraw/zinc/71/05/52/1066710552.db2.gz CLAVANURFCYJTP-XPCGLTFESA-N 0 0 589.655 3.656 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409086392 1066710673 /nfs/dbraw/zinc/71/06/73/1066710673.db2.gz VIJTWTQAVGINCZ-PMPAQKPWSA-N 0 0 632.489 3.885 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409086396 1066710638 /nfs/dbraw/zinc/71/06/38/1066710638.db2.gz VIJTWTQAVGINCZ-SPVXFMEISA-N 0 0 632.489 3.885 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000409087010 1066710101 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CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1cccs1 ZINC000409109099 1066730625 /nfs/dbraw/zinc/73/06/25/1066730625.db2.gz XSKRDVSOSIOVMJ-YMFQVDJJSA-N 0 0 565.658 3.709 40 5 KHBBRN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000409111648 1066729715 /nfs/dbraw/zinc/72/97/15/1066729715.db2.gz DQXYPOKUPDAWNF-UHFFFAOYSA-N 0 0 570.624 3.832 40 5 KHBBRN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000409114523 1066264846 /nfs/dbraw/zinc/26/48/46/1066264846.db2.gz GUXKIVPCOUZNRD-UHFFFAOYSA-N 0 0 594.602 3.969 40 5 KHBBRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409114728 1066728178 /nfs/dbraw/zinc/72/81/78/1066728178.db2.gz IIGHDUJCRNWBBX-GOSISDBHSA-N 0 0 570.624 3.974 40 5 KHBBRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409114732 1066728660 /nfs/dbraw/zinc/72/86/60/1066728660.db2.gz IIGHDUJCRNWBBX-SFHVURJKSA-N 0 0 570.624 3.974 40 5 KHBBRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(c2cccc(Cl)c2)CC1 ZINC000409116399 1066728314 /nfs/dbraw/zinc/72/83/14/1066728314.db2.gz MISISKLZHUZHLK-UHFFFAOYSA-N 0 0 514.991 3.792 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000409118280 1066734315 /nfs/dbraw/zinc/73/43/15/1066734315.db2.gz POBZLIKSTUDZLA-BLJGQIRFSA-N 0 0 619.681 3.670 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000409118285 1066734380 /nfs/dbraw/zinc/73/43/80/1066734380.db2.gz POBZLIKSTUDZLA-MLJBDGAYSA-N 0 0 619.681 3.670 40 5 KHBBRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409118313 1066734258 /nfs/dbraw/zinc/73/42/58/1066734258.db2.gz PSZYYRNGQWLQQQ-GOSISDBHSA-N 0 0 510.572 3.957 40 5 KHBBRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409118314 1066734340 /nfs/dbraw/zinc/73/43/40/1066734340.db2.gz PSZYYRNGQWLQQQ-SFHVURJKSA-N 0 0 510.572 3.957 40 5 KHBBRN COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000409118757 1066734165 /nfs/dbraw/zinc/73/41/65/1066734165.db2.gz QBHKDYPZCWZGNB-UHFFFAOYSA-N 0 0 530.515 3.663 40 5 KHBBRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000409121072 1066733298 /nfs/dbraw/zinc/73/32/98/1066733298.db2.gz VTIOKLBQLUHDDN-GOSISDBHSA-N 0 0 510.572 3.957 40 5 KHBBRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000409121074 1066733358 /nfs/dbraw/zinc/73/33/58/1066733358.db2.gz VTIOKLBQLUHDDN-SFHVURJKSA-N 0 0 510.572 3.957 40 5 KHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000409121751 1066732990 /nfs/dbraw/zinc/73/29/90/1066732990.db2.gz ZVUJYICENYWDOD-UHFFFAOYSA-N 0 0 515.544 3.763 40 5 KHBBRN CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409121988 1066732952 /nfs/dbraw/zinc/73/29/52/1066732952.db2.gz ZONLYOOAKZFSJE-FSFYKJEYSA-N 0 0 676.777 3.984 40 5 KHBBRN CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409121990 1066732862 /nfs/dbraw/zinc/73/28/62/1066732862.db2.gz ZONLYOOAKZFSJE-ZUCAMLDZSA-N 0 0 676.777 3.984 40 5 KHBBRN CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409123358 1066732325 /nfs/dbraw/zinc/73/23/25/1066732325.db2.gz FVQQXGHCOORHBV-NRFANRHFSA-N 0 0 540.602 3.851 40 5 KHBBRN CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409123359 1066732204 /nfs/dbraw/zinc/73/22/04/1066732204.db2.gz FVQQXGHCOORHBV-OAQYLSRUSA-N 0 0 540.602 3.851 40 5 KHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C ZINC000409123360 1066732336 /nfs/dbraw/zinc/73/23/36/1066732336.db2.gz GLFNLLAHUMSEOQ-FQEVSTJZSA-N 0 0 527.563 3.798 40 5 KHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C ZINC000409123362 1066265892 /nfs/dbraw/zinc/26/58/92/1066265892.db2.gz GLFNLLAHUMSEOQ-HXUWFJFHSA-N 0 0 527.563 3.798 40 5 KHBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409123796 1066735781 /nfs/dbraw/zinc/73/57/81/1066735781.db2.gz DXQKRZBVHUTLSO-UDWIEESQSA-N 0 0 592.424 3.840 40 5 KHBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)N1CCOCC1 ZINC000409124292 1066735893 /nfs/dbraw/zinc/73/58/93/1066735893.db2.gz BBDYJGPFISHAON-UDWIEESQSA-N 0 0 562.398 3.831 40 5 KHBBRN CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000409124314 1066266101 /nfs/dbraw/zinc/26/61/01/1066266101.db2.gz AXEARWOSXIKFHL-UHFFFAOYSA-N 0 0 568.597 3.899 40 5 KHBBRN CCOC(=O)c1cccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)c1 ZINC000409124340 1066735992 /nfs/dbraw/zinc/73/59/92/1066735992.db2.gz BFPCAADCCKMVLY-NRFANRHFSA-N 0 0 540.602 3.758 40 5 KHBBRN CCOC(=O)c1cccc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)c1 ZINC000409124342 1066266134 /nfs/dbraw/zinc/26/61/34/1066266134.db2.gz BFPCAADCCKMVLY-OAQYLSRUSA-N 0 0 540.602 3.758 40 5 KHBBRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C ZINC000409125043 1066735475 /nfs/dbraw/zinc/73/54/75/1066735475.db2.gz IVBMHQLNCLTIPJ-UHFFFAOYSA-N 0 0 503.562 3.870 40 5 KHBBRN COc1ccc(N(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000409126945 1066734785 /nfs/dbraw/zinc/73/47/85/1066734785.db2.gz PTOSWBRIDMRQLP-UHFFFAOYSA-N 0 0 519.963 3.777 40 5 KHBBRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nnc(CNC(=O)c2cccc([N+](=O)[O-])c2)n1CC ZINC000409127430 1066738803 /nfs/dbraw/zinc/73/88/03/1066738803.db2.gz HLCKXPHOHLVLRM-UHFFFAOYSA-N 0 0 574.641 3.616 40 5 KHBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C ZINC000409127544 1066266640 /nfs/dbraw/zinc/26/66/40/1066266640.db2.gz NUDFPFHHAYUQEV-FQEVSTJZSA-N 0 0 527.563 3.798 40 5 KHBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C ZINC000409127545 1066738962 /nfs/dbraw/zinc/73/89/62/1066738962.db2.gz NUDFPFHHAYUQEV-HXUWFJFHSA-N 0 0 527.563 3.798 40 5 KHBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409127912 1066738984 /nfs/dbraw/zinc/73/89/84/1066738984.db2.gz IBOFIONHNFGKPA-UDWIEESQSA-N 0 0 547.973 3.731 40 5 KHBBRN Cc1cc(Br)c(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3)n2C)cc1C ZINC000409128541 1066738829 /nfs/dbraw/zinc/73/88/29/1066738829.db2.gz FMBOGSWGEXKRFC-UHFFFAOYSA-N 0 0 533.408 3.763 40 5 KHBBRN CCn1c(SCC(=O)Nc2ncc(C)s2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409130692 1066737933 /nfs/dbraw/zinc/73/79/33/1066737933.db2.gz UEDUEWGWYBETGP-KRWDZBQOSA-N 0 0 503.610 3.829 40 5 KHBBRN CCn1c(SCC(=O)Nc2ncc(C)s2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409130694 1066738295 /nfs/dbraw/zinc/73/82/95/1066738295.db2.gz UEDUEWGWYBETGP-QGZVFWFLSA-N 0 0 503.610 3.829 40 5 KHBBRN CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(Br)cc1 ZINC000409131002 1066737842 /nfs/dbraw/zinc/73/78/42/1066737842.db2.gz XPQKKWJFAPGOMW-UHFFFAOYSA-N 0 0 519.381 3.630 40 5 KHBBRN CCn1c(SCC(=O)NCCc2ccccc2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409132248 1066737906 /nfs/dbraw/zinc/73/79/06/1066737906.db2.gz LUZWNBIZFMCOFU-JOCHJYFZSA-N 0 0 510.620 3.784 40 5 KHBBRN CCn1c(SCC(=O)NCCc2ccccc2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409132259 1066737896 /nfs/dbraw/zinc/73/78/96/1066737896.db2.gz LUZWNBIZFMCOFU-QFIPXVFZSA-N 0 0 510.620 3.784 40 5 KHBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000409133057 1066737320 /nfs/dbraw/zinc/73/73/20/1066737320.db2.gz MDOBYZJOUAPPJZ-UHFFFAOYSA-N 0 0 534.550 3.952 40 5 KHBBRN COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000409133910 1066737472 /nfs/dbraw/zinc/73/74/72/1066737472.db2.gz QZFOFDNTBUVGDM-UHFFFAOYSA-N 0 0 515.544 3.763 40 5 KHBBRN CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409133947 1066737302 /nfs/dbraw/zinc/73/73/02/1066737302.db2.gz RDKWHVMVBVBTCA-NRFANRHFSA-N 0 0 557.589 3.981 40 5 KHBBRN CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409133950 1066737439 /nfs/dbraw/zinc/73/74/39/1066737439.db2.gz RDKWHVMVBVBTCA-OAQYLSRUSA-N 0 0 557.589 3.981 40 5 KHBBRN CCOc1ccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)cc1 ZINC000409134054 1066266565 /nfs/dbraw/zinc/26/65/65/1066266565.db2.gz ONYYVPWZEZUHQO-NRFANRHFSA-N 0 0 512.592 3.980 40 5 KHBBRN CCOc1ccc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)cc1 ZINC000409134056 1066737550 /nfs/dbraw/zinc/73/75/50/1066737550.db2.gz ONYYVPWZEZUHQO-OAQYLSRUSA-N 0 0 512.592 3.980 40 5 KHBBRN COc1ccc(C)cc1NC(=O)CSc1nnc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C ZINC000409135067 1066194829 /nfs/dbraw/zinc/19/48/29/1066194829.db2.gz PRZIRSLDDSTJBT-NRFANRHFSA-N 0 0 512.592 3.898 40 5 KHBBRN COc1ccc(C)cc1NC(=O)CSc1nnc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C ZINC000409135069 1066736740 /nfs/dbraw/zinc/73/67/40/1066736740.db2.gz PRZIRSLDDSTJBT-OAQYLSRUSA-N 0 0 512.592 3.898 40 5 KHBBRN CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409135913 1066736324 /nfs/dbraw/zinc/73/63/24/1066736324.db2.gz RCRLHNUSNGPERL-DEOSSOPVSA-N 0 0 551.673 3.774 40 5 KHBBRN CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409135915 1066736426 /nfs/dbraw/zinc/73/64/26/1066736426.db2.gz RCRLHNUSNGPERL-XMMPIXPASA-N 0 0 551.673 3.774 40 5 KHBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409135960 1066194767 /nfs/dbraw/zinc/19/47/67/1066194767.db2.gz VJKABHUJUIFQCK-UDWIEESQSA-N 0 0 639.424 3.682 40 5 KHBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409136717 1066736440 /nfs/dbraw/zinc/73/64/40/1066736440.db2.gz URQFFSZNTYRFKS-SRZZPIQSSA-N 0 0 592.424 3.840 40 5 KHBBRN Cc1ccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)cc1[N+](=O)[O-] ZINC000409137749 1066266671 /nfs/dbraw/zinc/26/66/71/1066266671.db2.gz XNIKFZLVGOQNIZ-FQEVSTJZSA-N 0 0 527.563 3.798 40 5 KHBBRN Cc1ccc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)cc1[N+](=O)[O-] ZINC000409137750 1066742362 /nfs/dbraw/zinc/74/23/62/1066742362.db2.gz XNIKFZLVGOQNIZ-HXUWFJFHSA-N 0 0 527.563 3.798 40 5 KHBBRN Cc1c(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000409137874 1066266604 /nfs/dbraw/zinc/26/66/04/1066266604.db2.gz YMEJMUIBJMSDFX-OEAKJJBVSA-N 0 0 520.567 3.801 40 5 KHBBRN CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(I)cc1C ZINC000409137915 1066742166 /nfs/dbraw/zinc/74/21/66/1066742166.db2.gz YOCSOGKPCCBWIO-UHFFFAOYSA-N 0 0 580.408 3.780 40 5 KHBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)n1C ZINC000409138803 1066741777 /nfs/dbraw/zinc/74/17/77/1066741777.db2.gz IENVOTFBXFBHSK-FQEVSTJZSA-N 0 0 571.685 3.620 40 5 KHBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)n1C ZINC000409138804 1066741834 /nfs/dbraw/zinc/74/18/34/1066741834.db2.gz IENVOTFBXFBHSK-HXUWFJFHSA-N 0 0 571.685 3.620 40 5 KHBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000409139329 1066741623 /nfs/dbraw/zinc/74/16/23/1066741623.db2.gz CSEDKUMTCUBQTO-UNOMPAQXSA-N 0 0 502.936 3.760 40 5 KHBBRN CCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409139491 1066741794 /nfs/dbraw/zinc/74/17/94/1066741794.db2.gz AMSXQGQVAITZMU-NRFANRHFSA-N 0 0 540.602 3.851 40 5 KHBBRN CCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409139493 1066741612 /nfs/dbraw/zinc/74/16/12/1066741612.db2.gz AMSXQGQVAITZMU-OAQYLSRUSA-N 0 0 540.602 3.851 40 5 KHBBRN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000409139950 1066741251 /nfs/dbraw/zinc/74/12/51/1066741251.db2.gz GRJSNFSWWFGRNM-UNOMPAQXSA-N 0 0 502.936 3.760 40 5 KHBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O)N1CCOCC1 ZINC000409139982 1066741635 /nfs/dbraw/zinc/74/16/35/1066741635.db2.gz PLHIPMVGGMSING-UDWIEESQSA-N 0 0 562.398 3.831 40 5 KHBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409140534 1066741171 /nfs/dbraw/zinc/74/11/71/1066741171.db2.gz FHRYFGAUGNPKGR-UDWIEESQSA-N 0 0 639.424 3.682 40 5 KHBBRN COc1ccc(N(CC(=O)Nc2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000409140999 1066740756 /nfs/dbraw/zinc/74/07/56/1066740756.db2.gz GNLOFHAFXIHEQM-UHFFFAOYSA-N 0 0 512.544 3.704 40 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AGCONIUESIHKOU-FQEVSTJZSA-N 0 0 527.563 3.972 40 5 KHBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409142496 1066740351 /nfs/dbraw/zinc/74/03/51/1066740351.db2.gz AGCONIUESIHKOU-HXUWFJFHSA-N 0 0 527.563 3.972 40 5 KHBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O)N1CCOCC1 ZINC000409143123 1066267774 /nfs/dbraw/zinc/26/77/74/1066267774.db2.gz NFLVEKIHBVWNDT-UDWIEESQSA-N 0 0 609.398 3.674 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409144490 1066739326 /nfs/dbraw/zinc/73/93/26/1066739326.db2.gz KDTIDDVBOTUVOF-JGZDWKDESA-N 0 0 649.463 3.637 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409144501 1066739459 /nfs/dbraw/zinc/73/94/59/1066739459.db2.gz KDTIDDVBOTUVOF-WYWXSHKMSA-N 0 0 649.463 3.637 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(I)c3O)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409144850 1066739379 /nfs/dbraw/zinc/73/93/79/1066739379.db2.gz LMJVNSMYVBLVJY-KHVWPYCOSA-N 0 0 731.306 3.930 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(I)c3O)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409144853 1066739308 /nfs/dbraw/zinc/73/93/08/1066739308.db2.gz LMJVNSMYVBLVJY-KYSILRCISA-N 0 0 731.306 3.930 40 5 KHBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O)N1CCOCC1 ZINC000409145591 1066743294 /nfs/dbraw/zinc/74/32/94/1066743294.db2.gz REOFGJHDYRMLTO-UDWIEESQSA-N 0 0 609.398 3.674 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)cc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409145706 1066743306 /nfs/dbraw/zinc/74/33/06/1066743306.db2.gz PLRLZSJBBIBIBW-MRCZTLKWSA-N 0 0 589.411 3.620 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409145715 1066743278 /nfs/dbraw/zinc/74/32/78/1066743278.db2.gz PLRLZSJBBIBIBW-ZNQKWNQWSA-N 0 0 589.411 3.620 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000409146063 1066743321 /nfs/dbraw/zinc/74/33/21/1066743321.db2.gz QQCCXTHGQNNZFM-AURKMBPUSA-N 0 0 631.692 3.993 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000409146064 1066268494 /nfs/dbraw/zinc/26/84/94/1066268494.db2.gz QQCCXTHGQNNZFM-GXIJPSQLSA-N 0 0 631.692 3.993 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3Br)OCO4)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409146774 1066742680 /nfs/dbraw/zinc/74/26/80/1066742680.db2.gz UTVXFADLAIAXBT-HMEHKCSNSA-N 0 0 586.420 3.506 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3Br)OCO4)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409146775 1066742850 /nfs/dbraw/zinc/74/28/50/1066742850.db2.gz UTVXFADLAIAXBT-QVFHAIOXSA-N 0 0 586.420 3.506 40 5 KHBBRN COc1ccc(N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000409147028 1066267239 /nfs/dbraw/zinc/26/72/39/1066267239.db2.gz MEMYOECIMOCNJV-UHFFFAOYSA-N 0 0 575.043 3.810 40 5 KHBBRN CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(Br)cc1C ZINC000409147159 1066742717 /nfs/dbraw/zinc/74/27/17/1066742717.db2.gz VIAFLSTZHLEXPD-UHFFFAOYSA-N 0 0 533.408 3.938 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(I)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409147207 1066742794 /nfs/dbraw/zinc/74/27/94/1066742794.db2.gz WUAVISQGIMXRLA-MRCZTLKWSA-N 0 0 589.411 3.620 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(I)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409147211 1066742763 /nfs/dbraw/zinc/74/27/63/1066742763.db2.gz WUAVISQGIMXRLA-ZNQKWNQWSA-N 0 0 589.411 3.620 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409147516 1066747959 /nfs/dbraw/zinc/74/79/59/1066747959.db2.gz ZYTVSTDNNXNEDB-AQIZGWBQSA-N 0 0 551.621 3.812 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409147517 1066267356 /nfs/dbraw/zinc/26/73/56/1066267356.db2.gz ZYTVSTDNNXNEDB-ZDGAQAAHSA-N 0 0 551.621 3.812 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409147694 1066748091 /nfs/dbraw/zinc/74/80/91/1066748091.db2.gz YSSLFTMXVRHMFE-JGZDWKDESA-N 0 0 602.463 3.795 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409147702 1066747897 /nfs/dbraw/zinc/74/78/97/1066747897.db2.gz YSSLFTMXVRHMFE-WYWXSHKMSA-N 0 0 602.463 3.795 40 5 KHBBRN CCOC(=O)c1ccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)cc1 ZINC000409147763 1066748069 /nfs/dbraw/zinc/74/80/69/1066748069.db2.gz NOWOISXGOVABQP-NRFANRHFSA-N 0 0 540.602 3.758 40 5 KHBBRN CCOC(=O)c1ccc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)cc1 ZINC000409147767 1066748060 /nfs/dbraw/zinc/74/80/60/1066748060.db2.gz 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1066747490 /nfs/dbraw/zinc/74/74/90/1066747490.db2.gz FZNUJOZFVUOOLB-JGZDWKDESA-N 0 0 649.463 3.724 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409149425 1066747658 /nfs/dbraw/zinc/74/76/58/1066747658.db2.gz FZNUJOZFVUOOLB-WYWXSHKMSA-N 0 0 649.463 3.724 40 5 KHBBRN CCc1ccc(O[C@@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2CC)cc1 ZINC000409150300 1066747155 /nfs/dbraw/zinc/74/71/55/1066747155.db2.gz BFHSCMWWZJRRSX-INIZCTEOSA-N 0 0 512.592 3.583 40 5 KHBBRN CCc1ccc(O[C@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2CC)cc1 ZINC000409150302 1066747199 /nfs/dbraw/zinc/74/71/99/1066747199.db2.gz BFHSCMWWZJRRSX-MRXNPFEDSA-N 0 0 512.592 3.583 40 5 KHBBRN CCOC(=O)c1cccc(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)c1 ZINC000409150600 1066267727 /nfs/dbraw/zinc/26/77/27/1066267727.db2.gz CXNWZPOJSZLJHN-FQEVSTJZSA-N 0 0 526.575 3.748 40 5 KHBBRN CCOC(=O)c1cccc(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)c1 ZINC000409150602 1066746675 /nfs/dbraw/zinc/74/66/75/1066746675.db2.gz CXNWZPOJSZLJHN-HXUWFJFHSA-N 0 0 526.575 3.748 40 5 KHBBRN CCOC(=O)c1ccc(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)cc1 ZINC000409150615 1066747177 /nfs/dbraw/zinc/74/71/77/1066747177.db2.gz CZKKOMRQFJCFJB-FQEVSTJZSA-N 0 0 526.575 3.748 40 5 KHBBRN CCOC(=O)c1ccc(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)cc1 ZINC000409150618 1066747171 /nfs/dbraw/zinc/74/71/71/1066747171.db2.gz CZKKOMRQFJCFJB-HXUWFJFHSA-N 0 0 526.575 3.748 40 5 KHBBRN Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)n2C)c1 ZINC000409151360 1066746158 /nfs/dbraw/zinc/74/61/58/1066746158.db2.gz BNRJRCYCPZXFBH-UHFFFAOYSA-N 0 0 523.600 3.816 40 5 KHBBRN Cc1ccc(C(C)C)c(OCC(=O)NCc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2C)c1 ZINC000409153497 1066745842 /nfs/dbraw/zinc/74/58/42/1066745842.db2.gz LXAZOPYWRFTMHH-UHFFFAOYSA-N 0 0 512.592 3.581 40 5 KHBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])ccc3OC)C2=O)ccc1Cl ZINC000409155773 1066744321 /nfs/dbraw/zinc/74/43/21/1066744321.db2.gz MXUKZBIZQHKNOW-CAOOACKPSA-N 0 0 505.892 3.718 40 5 KHBBRN Cc1ccc(C(C)C)c(OCC(=O)NCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)c1 ZINC000409155922 1066744432 /nfs/dbraw/zinc/74/44/32/1066744432.db2.gz JHHYESAKDIKJIC-UHFFFAOYSA-N 0 0 526.619 3.890 40 5 KHBBRN CCn1c(CNC(=O)COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000409156654 1066743803 /nfs/dbraw/zinc/74/38/03/1066743803.db2.gz LLBDPVCTHYRRFX-UHFFFAOYSA-N 0 0 512.592 3.756 40 5 KHBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)c1 ZINC000409157323 1066752776 /nfs/dbraw/zinc/75/27/76/1066752776.db2.gz MFVWYCSZLZKPID-NDENLUEZSA-N 0 0 514.585 3.828 40 5 KHBBRN COc1ccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3ccc(C)cc3)C(C)C)n2C)c([N+](=O)[O-])c1 ZINC000409157538 1066752299 /nfs/dbraw/zinc/75/22/99/1066752299.db2.gz JJXMEUPJCSEZJA-NRFANRHFSA-N 0 0 512.592 3.898 40 5 KHBBRN COc1ccc(NC(=O)CSc2nnc([C@H](NC(=O)c3ccc(C)cc3)C(C)C)n2C)c([N+](=O)[O-])c1 ZINC000409157543 1066752393 /nfs/dbraw/zinc/75/23/93/1066752393.db2.gz JJXMEUPJCSEZJA-OAQYLSRUSA-N 0 0 512.592 3.898 40 5 KHBBRN Cc1ccc(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)cc1[N+](=O)[O-] ZINC000409157590 1066752257 /nfs/dbraw/zinc/75/22/57/1066752257.db2.gz MYRBZEBHXBYDNC-IBGZPJMESA-N 0 0 513.536 3.787 40 5 KHBBRN Cc1ccc(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)cc1[N+](=O)[O-] ZINC000409157593 1066752322 /nfs/dbraw/zinc/75/23/22/1066752322.db2.gz MYRBZEBHXBYDNC-LJQANCHMSA-N 0 0 513.536 3.787 40 5 KHBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OC)c([N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000409158145 1066752244 /nfs/dbraw/zinc/75/22/44/1066752244.db2.gz KIYHZRBLCPAVIW-CAOOACKPSA-N 0 0 505.892 3.718 40 5 KHBBRN CCc1ccc(O[C@@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2CC)cc1 ZINC000409158986 1066751868 /nfs/dbraw/zinc/75/18/68/1066751868.db2.gz YQYVLUCPZBQGPI-KRWDZBQOSA-N 0 0 526.619 3.892 40 5 KHBBRN CCc1ccc(O[C@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2CC)cc1 ZINC000409158990 1066268528 /nfs/dbraw/zinc/26/85/28/1066268528.db2.gz YQYVLUCPZBQGPI-QGZVFWFLSA-N 0 0 526.619 3.892 40 5 KHBBRN COc1ccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc(C)c3)C(C)C)n2C)c([N+](=O)[O-])c1 ZINC000409159403 1066751373 /nfs/dbraw/zinc/75/13/73/1066751373.db2.gz ZXKCAYHGMGQJFH-NRFANRHFSA-N 0 0 512.592 3.898 40 5 KHBBRN COc1ccc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc(C)c3)C(C)C)n2C)c([N+](=O)[O-])c1 ZINC000409159405 1066268597 /nfs/dbraw/zinc/26/85/97/1066268597.db2.gz ZXKCAYHGMGQJFH-OAQYLSRUSA-N 0 0 512.592 3.898 40 5 KHBBRN Cc1ccc(C(C)C)c(OCC(=O)NCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)c1 ZINC000409159465 1066751246 /nfs/dbraw/zinc/75/12/46/1066751246.db2.gz UGEAICMWNJOFFG-UHFFFAOYSA-N 0 0 526.619 3.890 40 5 KHBBRN CCn1c(CNC(=O)COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000409159595 1066751260 /nfs/dbraw/zinc/75/12/60/1066751260.db2.gz NYWFXNFOSKVOSO-UHFFFAOYSA-N 0 0 512.592 3.756 40 5 KHBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)n[nH]1 ZINC000409159710 1066751358 /nfs/dbraw/zinc/75/13/58/1066751358.db2.gz WLKVCGMAIGHHPI-IBGZPJMESA-N 0 0 557.658 3.610 40 5 KHBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)n[nH]1 ZINC000409159711 1066751237 /nfs/dbraw/zinc/75/12/37/1066751237.db2.gz WLKVCGMAIGHHPI-LJQANCHMSA-N 0 0 557.658 3.610 40 5 KHBBRN O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000409160324 1066750827 /nfs/dbraw/zinc/75/08/27/1066750827.db2.gz GNMIWGSMOVAMQZ-KQWNVCNZSA-N 0 0 533.566 3.897 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3I)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409161198 1066750321 /nfs/dbraw/zinc/75/03/21/1066750321.db2.gz KSQYUBKXPHTSKC-PRWBYUBPSA-N 0 0 589.411 3.620 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3I)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409161200 1066750478 /nfs/dbraw/zinc/75/04/78/1066750478.db2.gz KSQYUBKXPHTSKC-SRKIZSPNSA-N 0 0 589.411 3.620 40 5 KHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CNC(=O)COc2ccc(C(C)C)cc2)n1C ZINC000409162686 1066749556 /nfs/dbraw/zinc/74/95/56/1066749556.db2.gz GZJHJEHCSSTGKP-UHFFFAOYSA-N 0 0 512.592 3.581 40 5 KHBBRN Cc1ccc(NC(=O)CSc2nnc(CNC(=O)COc3ccc(C(C)C)cc3)n2C)cc1[N+](=O)[O-] ZINC000409162853 1066749439 /nfs/dbraw/zinc/74/94/39/1066749439.db2.gz IQUUBQFZJOKMFY-UHFFFAOYSA-N 0 0 512.592 3.581 40 5 KHBBRN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O)Nc1ccc(Cl)cc1 ZINC000409163984 1066749040 /nfs/dbraw/zinc/74/90/40/1066749040.db2.gz AVEZULZVSMRXLI-UNOMPAQXSA-N 0 0 502.936 3.760 40 5 KHBBRN Cc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1C ZINC000409164445 1066748955 /nfs/dbraw/zinc/74/89/55/1066748955.db2.gz IOYCMZSGWMSEJR-UHFFFAOYSA-N 0 0 523.600 3.816 40 5 KHBBRN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O)Nc1cccc(Cl)c1 ZINC000409164536 1066748913 /nfs/dbraw/zinc/74/89/13/1066748913.db2.gz JYLQYJSDMKRACA-ODLFYWEKSA-N 0 0 502.936 3.760 40 5 KHBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1n[nH]c([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 ZINC000409164761 1066748563 /nfs/dbraw/zinc/74/85/63/1066748563.db2.gz NMMYGZDSGBXKTD-IBGZPJMESA-N 0 0 513.536 3.787 40 5 KHBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1n[nH]c([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 ZINC000409164762 1066748489 /nfs/dbraw/zinc/74/84/89/1066748489.db2.gz NMMYGZDSGBXKTD-LJQANCHMSA-N 0 0 513.536 3.787 40 5 KHBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)ccc1Cl ZINC000409165389 1066748419 /nfs/dbraw/zinc/74/84/19/1066748419.db2.gz XOOGIIKNDVIKBU-JAIQZWGSSA-N 0 0 560.972 3.546 40 5 KHBBRN Cc1ccc(C(C)C)c(OCC(=O)NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)c1 ZINC000409165498 1066748535 /nfs/dbraw/zinc/74/85/35/1066748535.db2.gz YSLRMFVQOICUGI-UHFFFAOYSA-N 0 0 512.592 3.581 40 5 KHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 ZINC000409167011 1066752715 /nfs/dbraw/zinc/75/27/15/1066752715.db2.gz GLPLZMWZRMXVDH-IBGZPJMESA-N 0 0 513.536 3.787 40 5 KHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 ZINC000409167013 1066752739 /nfs/dbraw/zinc/75/27/39/1066752739.db2.gz GLPLZMWZRMXVDH-LJQANCHMSA-N 0 0 513.536 3.787 40 5 KHBBRN CCc1ccc(O[C@@H](C)C(=O)NCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2CC)cc1 ZINC000409167154 1066752704 /nfs/dbraw/zinc/75/27/04/1066752704.db2.gz HPGGJVIZIZQSOX-KRWDZBQOSA-N 0 0 526.619 3.892 40 5 KHBBRN CCc1ccc(O[C@H](C)C(=O)NCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2CC)cc1 ZINC000409167158 1066752770 /nfs/dbraw/zinc/75/27/70/1066752770.db2.gz HPGGJVIZIZQSOX-QGZVFWFLSA-N 0 0 526.619 3.892 40 5 KHBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409168222 1066757761 /nfs/dbraw/zinc/75/77/61/1066757761.db2.gz LNXRUPWKCVJNMR-JJFYIABZSA-N 0 0 613.582 3.775 40 5 KHBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409168819 1066269791 /nfs/dbraw/zinc/26/97/91/1066269791.db2.gz UHSHSLBWMYVTDF-UHFFFAOYSA-N 0 0 597.071 3.795 40 5 KHBBRN COc1ccc(Cl)cc1N(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409169269 1066756819 /nfs/dbraw/zinc/75/68/19/1066756819.db2.gz WIWRBYUIGWTWEC-UHFFFAOYSA-N 0 0 617.080 3.834 40 5 KHBBRN CCN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409169760 1066756275 /nfs/dbraw/zinc/75/62/75/1066756275.db2.gz ZGMWECNRFJFCLX-CXUHLZMHSA-N 0 0 523.283 3.700 40 5 KHBBRN CCc1ccc(O[C@@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2CC)cc1 ZINC000409169925 1066756190 /nfs/dbraw/zinc/75/61/90/1066756190.db2.gz SYJFPUXLKYMEMC-INIZCTEOSA-N 0 0 512.592 3.583 40 5 KHBBRN CCc1ccc(O[C@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2CC)cc1 ZINC000409169927 1066756281 /nfs/dbraw/zinc/75/62/81/1066756281.db2.gz SYJFPUXLKYMEMC-MRXNPFEDSA-N 0 0 512.592 3.583 40 5 KHBBRN Cc1ccccc1C(=O)NCc1nn(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=S)n1C ZINC000409170921 1066755644 /nfs/dbraw/zinc/75/56/44/1066755644.db2.gz XEMGEQGCISZZMK-UHFFFAOYSA-N 0 0 523.600 3.860 40 5 KHBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)ccc1Cl ZINC000409171983 1066755137 /nfs/dbraw/zinc/75/51/37/1066755137.db2.gz AEHRWZYILRQTFR-MTJSOVHGSA-N 0 0 574.999 3.937 40 5 KHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000409172453 1066754630 /nfs/dbraw/zinc/75/46/30/1066754630.db2.gz IMJSOWBBESTCJQ-UHFFFAOYSA-N 0 0 519.507 3.594 40 5 KHBBRN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O)Nc1ccc(Br)cc1 ZINC000409172620 1066754641 /nfs/dbraw/zinc/75/46/41/1066754641.db2.gz DRFTYALPBNOSAO-UNOMPAQXSA-N 0 0 547.387 3.869 40 5 KHBBRN CCN1C(=O)N/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409173711 1066754060 /nfs/dbraw/zinc/75/40/60/1066754060.db2.gz QNEASFKIWKDBBE-CXUHLZMHSA-N 0 0 523.283 3.700 40 5 KHBBRN COc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(OC(=O)c3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000409175767 1066753604 /nfs/dbraw/zinc/75/36/04/1066753604.db2.gz CKUXQXLEDBFVGF-UHFFFAOYSA-N 0 0 506.467 3.967 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(O)ccc4ccccc43)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409179092 1066759725 /nfs/dbraw/zinc/75/97/25/1066759725.db2.gz NASXOKNDCDSRLW-AQIZGWBQSA-N 0 0 529.574 3.874 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(O)ccc4ccccc43)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409179097 1066759806 /nfs/dbraw/zinc/75/98/06/1066759806.db2.gz NASXOKNDCDSRLW-ZDGAQAAHSA-N 0 0 529.574 3.874 40 5 KHBBRN CS(=O)(=O)CC[C@H](C(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1C(=O)c2ccccc2C1=O ZINC000409179868 1066270143 /nfs/dbraw/zinc/27/01/43/1066270143.db2.gz OUGUGQWQGPFMDP-HSZRJFAPSA-N 0 0 538.534 3.530 40 5 KHBBRN 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ZINC000409273781 1066784275 /nfs/dbraw/zinc/78/42/75/1066784275.db2.gz SMXARVOGQLYCTR-JAIQZWGSSA-N 0 0 532.962 3.768 40 5 KHBBRN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O)Nc1ccc(F)c(F)c1F ZINC000409273987 1066784321 /nfs/dbraw/zinc/78/43/21/1066784321.db2.gz BCJJOIUOAIANPT-YVLHZVERSA-N 0 0 522.461 3.524 40 5 KHBBRN O=C(CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000409274311 1066784443 /nfs/dbraw/zinc/78/44/43/1066784443.db2.gz VQAVQKSJBHUQMN-LFVJCYFKSA-N 0 0 547.593 3.956 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409274548 1066784378 /nfs/dbraw/zinc/78/43/78/1066784378.db2.gz PKODFRLVWNADES-ABBNRAPFSA-N 0 0 576.675 3.951 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409274549 1066277428 /nfs/dbraw/zinc/27/74/28/1066277428.db2.gz PKODFRLVWNADES-CSJROMOCSA-N 0 0 576.675 3.951 40 5 KHBBRN 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ZINC000409362003 1066805537 /nfs/dbraw/zinc/80/55/37/1066805537.db2.gz ROBYALWEAAYBKH-UCQKPKSFSA-N 0 0 539.566 3.914 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409364880 1066804374 /nfs/dbraw/zinc/80/43/74/1066804374.db2.gz WKIWNSVIBHNNOL-AQIZGWBQSA-N 0 0 530.606 3.990 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409364886 1066804521 /nfs/dbraw/zinc/80/45/21/1066804521.db2.gz WKIWNSVIBHNNOL-ZDGAQAAHSA-N 0 0 530.606 3.990 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)cc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409372795 1066810342 /nfs/dbraw/zinc/81/03/42/1066810342.db2.gz QSCXJPTWXGCOFH-MRCZTLKWSA-N 0 0 542.411 3.777 40 5 KHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409372798 1066810439 /nfs/dbraw/zinc/81/04/39/1066810439.db2.gz QSCXJPTWXGCOFH-ZNQKWNQWSA-N 0 0 542.411 3.777 40 5 KHBBRN O=C(COc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Br)N1CCOCC1 ZINC000409383584 1066816919 /nfs/dbraw/zinc/81/69/19/1066816919.db2.gz XGYNNIAFZLYAHM-NDENLUEZSA-N 0 0 562.398 3.831 40 5 KHBBRN O=C(COc1ccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1Br)N1CCOCC1 ZINC000409383683 1066816900 /nfs/dbraw/zinc/81/69/00/1066816900.db2.gz ZRDXFUWVHWARQG-NDENLUEZSA-N 0 0 562.398 3.831 40 5 KHBBRN COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000409390912 1066821945 /nfs/dbraw/zinc/82/19/45/1066821945.db2.gz WGRVVEKUZNOLAJ-UHFFFAOYSA-N 0 0 515.544 3.763 40 5 KHBBRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000409391073 1066822059 /nfs/dbraw/zinc/82/20/59/1066822059.db2.gz XWOVPADKWKUPAQ-UHFFFAOYSA-N 0 0 513.572 3.793 40 5 KHBBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1cccc(F)c1 ZINC000409397932 1066829911 /nfs/dbraw/zinc/82/99/11/1066829911.db2.gz AEFURKPTNNBNGF-OCKHKDLRSA-N 0 0 582.497 3.623 40 5 KHBBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccc(C)cc1 ZINC000409397944 1066829847 /nfs/dbraw/zinc/82/98/47/1066829847.db2.gz AFZOOQCVBAUUJT-JAIQZWGSSA-N 0 0 578.534 3.792 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3OCC(=O)Nc3cccc(F)c3)C2=O)o1 ZINC000409398061 1066829417 /nfs/dbraw/zinc/82/94/17/1066829417.db2.gz BPMJVFRMEVKCNO-LSCVHKIXSA-N 0 0 572.889 3.877 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3OC(C)C)C2=O)o1 ZINC000409398071 1066287994 /nfs/dbraw/zinc/28/79/94/1066287994.db2.gz BTBZRSZGYCKQKM-AUWJEWJLSA-N 0 0 508.281 3.617 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccccc4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409398230 1066829346 /nfs/dbraw/zinc/82/93/46/1066829346.db2.gz CAYOUEPDOPKXHQ-ZDLGFXPLSA-N 0 0 554.899 3.738 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OC(C)C)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409398367 1066829440 /nfs/dbraw/zinc/82/94/40/1066829440.db2.gz DJNPCLLWQUOSQE-AUWJEWJLSA-N 0 0 508.281 3.617 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccc(F)cc4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409398689 1066829027 /nfs/dbraw/zinc/82/90/27/1066829027.db2.gz FWPHAUSMZVATRG-NVMNQCDNSA-N 0 0 572.889 3.877 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccccc4F)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409398737 1066828959 /nfs/dbraw/zinc/82/89/59/1066828959.db2.gz GDHMDWLPSISPJT-NVMNQCDNSA-N 0 0 572.889 3.877 40 5 KHBBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccc(F)cc1 ZINC000409398780 1066828990 /nfs/dbraw/zinc/82/89/90/1066828990.db2.gz GMQTTZONYBFGDG-GRSHGNNSSA-N 0 0 582.497 3.623 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cccc(OC)c3OCc3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000409398806 1066829014 /nfs/dbraw/zinc/82/90/14/1066829014.db2.gz CWEDHXKXKZOYJJ-UNOMPAQXSA-N 0 0 507.455 3.655 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cccc(OC)c3OCc3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000409398808 1066286236 /nfs/dbraw/zinc/28/62/36/1066286236.db2.gz CWEDHXKXKZOYJJ-XDHOZWIPSA-N 0 0 507.455 3.655 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cccc([N+](=O)[O-])c3OCc3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000409399031 1066828373 /nfs/dbraw/zinc/82/83/73/1066828373.db2.gz HFICWYMNJXPOBB-WQRHYEAKSA-N 0 0 522.426 3.555 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3OCC(=O)Nc3ccccc3F)C2=O)o1 ZINC000409399201 1066828457 /nfs/dbraw/zinc/82/84/57/1066828457.db2.gz IIOFHTMFDBMGFB-NVMNQCDNSA-N 0 0 617.340 3.986 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(Oc4ccc([N+](=O)[O-])cn4)c(OC)c3)C2=O)o1 ZINC000409399402 1066827734 /nfs/dbraw/zinc/82/77/34/1066827734.db2.gz IAFLODLRGUVGLI-PXNMLYILSA-N 0 0 528.861 3.917 40 5 KHBBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409399406 1066827764 /nfs/dbraw/zinc/82/77/64/1066827764.db2.gz ICRWKRCXOHJRPG-YVLHZVERSA-N 0 0 508.443 3.653 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4ccc(C)cc4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409399435 1066827854 /nfs/dbraw/zinc/82/78/54/1066827854.db2.gz ITLJQUBJBQVNPA-GRSHGNNSSA-N 0 0 521.482 3.963 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCC(=O)Nc4ccccc4F)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409399562 1066827244 /nfs/dbraw/zinc/82/72/44/1066827244.db2.gz JYPRTDGDJDATTC-NVMNQCDNSA-N 0 0 617.340 3.986 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Cl)cc(OC)c3Oc3ccc([N+](=O)[O-])cn3)C2=O)o1 ZINC000409399593 1066827306 /nfs/dbraw/zinc/82/73/06/1066827306.db2.gz KBELATIPRONIHD-LZYBPNLTSA-N 0 0 528.861 3.917 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc(OC)c3Oc3ccc([N+](=O)[O-])cn3)C2=O)o1 ZINC000409399594 1066827278 /nfs/dbraw/zinc/82/72/78/1066827278.db2.gz KBELATIPRONIHD-PXNMLYILSA-N 0 0 528.861 3.917 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCC(=O)Nc4cccc(F)c4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409399654 1066827145 /nfs/dbraw/zinc/82/71/45/1066827145.db2.gz KLOLITCZVNYVSN-LSCVHKIXSA-N 0 0 617.340 3.986 40 5 KHBBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1F ZINC000409399694 1066827356 /nfs/dbraw/zinc/82/73/56/1066827356.db2.gz KTQRMNPGHUSODX-GRSHGNNSSA-N 0 0 582.497 3.623 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)o1 ZINC000409399716 1066827163 /nfs/dbraw/zinc/82/71/63/1066827163.db2.gz KXFKETJNBORLSS-GRSHGNNSSA-N 0 0 537.481 3.664 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Cl)cc([N+](=O)[O-])c3Oc3ccc([N+](=O)[O-])cn3)C2=O)o1 ZINC000409399747 1066826758 /nfs/dbraw/zinc/82/67/58/1066826758.db2.gz LHMXOWDZKATRAM-CHHVJCJISA-N 0 0 543.832 3.816 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)C2=O)o1 ZINC000409399832 1066826747 /nfs/dbraw/zinc/82/67/47/1066826747.db2.gz NKLDQOLTDYIHFH-UNOMPAQXSA-N 0 0 507.455 3.655 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)C2=O)o1 ZINC000409399833 1066286325 /nfs/dbraw/zinc/28/63/25/1066286325.db2.gz NKLDQOLTDYIHFH-XDHOZWIPSA-N 0 0 507.455 3.655 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCC(=O)Nc4ccccc4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409399907 1066826750 /nfs/dbraw/zinc/82/67/50/1066826750.db2.gz LYUIXTGXZGSLFY-ZDLGFXPLSA-N 0 0 599.350 3.847 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4ccccc4F)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409399915 1066826694 /nfs/dbraw/zinc/82/66/94/1066826694.db2.gz LZXVHYYCAPKAJB-NVMNQCDNSA-N 0 0 525.445 3.794 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(I)c3)C2=O)o1 ZINC000409400012 1066826651 /nfs/dbraw/zinc/82/66/51/1066826651.db2.gz NCCBSTWRQYAZJQ-SXGWCWSVSA-N 0 0 590.286 3.859 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4cccc(F)c4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409400014 1066826736 /nfs/dbraw/zinc/82/67/36/1066826736.db2.gz NCFVFKBNCUXUTO-NVMNQCDNSA-N 0 0 525.445 3.794 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)o1 ZINC000409400232 1066826232 /nfs/dbraw/zinc/82/62/32/1066826232.db2.gz QSFRJAZTQITIBO-ODLFYWEKSA-N 0 0 507.455 3.655 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)o1 ZINC000409400329 1066825594 /nfs/dbraw/zinc/82/55/94/1066825594.db2.gz OOYVCRIWKOHROW-ODLFYWEKSA-N 0 0 522.426 3.555 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409400330 1066825602 /nfs/dbraw/zinc/82/56/02/1066825602.db2.gz OOZCYDBVDNNCLY-NVMNQCDNSA-N 0 0 552.452 3.563 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3OCc3ccc([N+](=O)[O-])cc3)C2=O)o1 ZINC000409400368 1066825590 /nfs/dbraw/zinc/82/55/90/1066825590.db2.gz PLIAUNVOYZETED-WQRHYEAKSA-N 0 0 522.426 3.555 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(I)c(Oc4ccc([N+](=O)[O-])cn4)c(OC)c3)C2=O)o1 ZINC000409400478 1066825672 /nfs/dbraw/zinc/82/56/72/1066825672.db2.gz RSEPDHRGIKCBGR-PXNMLYILSA-N 0 0 620.312 3.868 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)o1 ZINC000409400571 1066825640 /nfs/dbraw/zinc/82/56/40/1066825640.db2.gz UIICHBAPFNKJJD-ODLFYWEKSA-N 0 0 507.455 3.655 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)o1 ZINC000409400572 1066825678 /nfs/dbraw/zinc/82/56/78/1066825678.db2.gz UIICHBAPFNKJJD-YBFXNURJSA-N 0 0 507.455 3.655 40 5 KHBBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1OCc1cccc([N+](=O)[O-])c1 ZINC000409400587 1066825538 /nfs/dbraw/zinc/82/55/38/1066825538.db2.gz POXIUMPDZSNCGV-GRSHGNNSSA-N 0 0 566.479 3.953 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCC(=O)Nc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409400650 1066287177 /nfs/dbraw/zinc/28/71/77/1066287177.db2.gz PVRYXIHHEPCGOB-NVMNQCDNSA-N 0 0 584.925 3.747 40 5 KHBBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409400697 1066833403 /nfs/dbraw/zinc/83/34/03/1066833403.db2.gz QFEYSCQVHQIZPF-GRSHGNNSSA-N 0 0 566.479 3.953 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)o1 ZINC000409400766 1066834038 /nfs/dbraw/zinc/83/40/38/1066834038.db2.gz QSIVUXBZOAJBSP-GRSHGNNSSA-N 0 0 537.481 3.664 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409400769 1066834066 /nfs/dbraw/zinc/83/40/66/1066834066.db2.gz QTJLVGRDHKCHJX-ZDLGFXPLSA-N 0 0 522.426 3.555 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Cl)c(Oc4ccc([N+](=O)[O-])cn4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409400882 1066833458 /nfs/dbraw/zinc/83/34/58/1066833458.db2.gz RMKUPEULJWDRHZ-CHHVJCJISA-N 0 0 543.832 3.816 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3OCC(=O)Nc3ccccc3F)C2=O)o1 ZINC000409401266 1066832898 /nfs/dbraw/zinc/83/28/98/1066832898.db2.gz RWFLIWHDBACACR-NVMNQCDNSA-N 0 0 572.889 3.877 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4ccccc4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409401323 1066829902 /nfs/dbraw/zinc/82/99/02/1066829902.db2.gz SKSBEVZIQNYNTF-ZDLGFXPLSA-N 0 0 507.455 3.655 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3OCC(=O)Nc3cccc(F)c3)C2=O)o1 ZINC000409401479 1066286973 /nfs/dbraw/zinc/28/69/73/1066286973.db2.gz UFAWFNIPBOUCMQ-LSCVHKIXSA-N 0 0 617.340 3.986 40 5 KHBBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1OCc1ccc2c(c1)OCO2 ZINC000409401864 1066832554 /nfs/dbraw/zinc/83/25/54/1066832554.db2.gz UFUCAQTURXDVAI-LSCVHKIXSA-N 0 0 565.491 3.774 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OCC(=O)Nc3ccc(Cl)cc3)C2=O)o1 ZINC000409401896 1066832907 /nfs/dbraw/zinc/83/29/07/1066832907.db2.gz UJVIFPMCEKWWCQ-ODLFYWEKSA-N 0 0 554.899 3.738 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000409401899 1066832887 /nfs/dbraw/zinc/83/28/87/1066832887.db2.gz UJYPFCBEPONCKS-ODLFYWEKSA-N 0 0 522.426 3.555 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3OCC(=O)Nc3ccc(Cl)cc3)C2=O)o1 ZINC000409401917 1066832895 /nfs/dbraw/zinc/83/28/95/1066832895.db2.gz UKPIAWQPBOUDKK-WQRHYEAKSA-N 0 0 554.899 3.738 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCC(=O)Nc4ccc(F)cc4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409401927 1066832897 /nfs/dbraw/zinc/83/28/97/1066832897.db2.gz ULMKEZGYOIGMOH-NVMNQCDNSA-N 0 0 617.340 3.986 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3OCC(=O)Nc3ccccc3)C2=O)o1 ZINC000409402007 1066832564 /nfs/dbraw/zinc/83/25/64/1066832564.db2.gz UVTRQNWASPUFBY-ZDLGFXPLSA-N 0 0 599.350 3.847 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409402490 1066832457 /nfs/dbraw/zinc/83/24/57/1066832457.db2.gz VTZLRQRFZLNXJP-ZDLGFXPLSA-N 0 0 522.426 3.555 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4cccc(C)c4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409402495 1066832496 /nfs/dbraw/zinc/83/24/96/1066832496.db2.gz VWVHHRFTPNVSIT-GRSHGNNSSA-N 0 0 521.482 3.963 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3OCC(=O)Nc3ccc(F)cc3)C2=O)o1 ZINC000409402521 1066832450 /nfs/dbraw/zinc/83/24/50/1066832450.db2.gz WBOWWZRCCXHJGX-NVMNQCDNSA-N 0 0 617.340 3.986 40 5 KHBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1Oc1ccc([N+](=O)[O-])cn1 ZINC000409402555 1066832484 /nfs/dbraw/zinc/83/24/84/1066832484.db2.gz WQCQGCDTKGZGGV-PXNMLYILSA-N 0 0 553.440 3.562 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3OCC(=O)Nc3ccccc3)C2=O)o1 ZINC000409402577 1066832434 /nfs/dbraw/zinc/83/24/34/1066832434.db2.gz WYNLDJURNJWZDU-ZDLGFXPLSA-N 0 0 554.899 3.738 40 5 KHBBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1C ZINC000409402582 1066287153 /nfs/dbraw/zinc/28/71/53/1066287153.db2.gz XAHALQWUBYUNSF-JAIQZWGSSA-N 0 0 578.534 3.792 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCC(=O)Nc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409403006 1066831974 /nfs/dbraw/zinc/83/19/74/1066831974.db2.gz YCYRBCGKVTWAHC-ZDLGFXPLSA-N 0 0 554.899 3.738 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)cc([N+](=O)[O-])c3Oc3ccc([N+](=O)[O-])cn3)C2=O)o1 ZINC000409403025 1066287751 /nfs/dbraw/zinc/28/77/51/1066287751.db2.gz YFXUPDVLCRHGSL-CHHVJCJISA-N 0 0 588.283 3.925 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)c(Oc4ccc([N+](=O)[O-])cn4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409403093 1066287866 /nfs/dbraw/zinc/28/78/66/1066287866.db2.gz YQHSFHIDIUPBLJ-CHHVJCJISA-N 0 0 588.283 3.925 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3OCC(=O)Nc3ccc(F)cc3)C2=O)o1 ZINC000409403190 1066287680 /nfs/dbraw/zinc/28/76/80/1066287680.db2.gz ZEIIOTJCVLPSLY-NVMNQCDNSA-N 0 0 572.889 3.877 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCC(=O)Nc4cccc(F)c4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409403333 1066831948 /nfs/dbraw/zinc/83/19/48/1066831948.db2.gz ZSGDQNPGIFYVKC-LSCVHKIXSA-N 0 0 572.889 3.877 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409403341 1066831901 /nfs/dbraw/zinc/83/19/01/1066831901.db2.gz ZTRMXXGNXXMHDM-NVMNQCDNSA-N 0 0 525.445 3.794 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409403352 1066831908 /nfs/dbraw/zinc/83/19/08/1066831908.db2.gz ZUQGMIYXQIAKOO-NVMNQCDNSA-N 0 0 552.452 3.563 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccc(Cl)cc3)C2=O)o1 ZINC000409406142 1066830627 /nfs/dbraw/zinc/83/06/27/1066830627.db2.gz ALKHYWATTNVSCM-BOPFTXTBSA-N 0 0 525.857 3.940 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3ccccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2=O)o1 ZINC000409406302 1066830297 /nfs/dbraw/zinc/83/02/97/1066830297.db2.gz BKRZIWPMPZOXFW-PMMWVYMGSA-N 0 0 517.450 3.686 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccc(C)cc3)C2=O)o1 ZINC000409407280 1066829823 /nfs/dbraw/zinc/82/98/23/1066829823.db2.gz FAQJDBVNJWPZLL-PDGQHHTCSA-N 0 0 505.439 3.595 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cccc([N+](=O)[O-])c3OC(=O)/C=C/c3ccc(OC)cc3)C2=O)o1 ZINC000409407471 1066838180 /nfs/dbraw/zinc/83/81/80/1066838180.db2.gz GDJCJKZIDSQQBX-OILIPECNSA-N 0 0 547.476 3.695 40 5 KHBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1)S(C)(=O)=O ZINC000409407745 1066288414 /nfs/dbraw/zinc/28/84/14/1066288414.db2.gz HCXRFIKZDSSATI-UHFFFAOYSA-N 0 0 583.044 3.771 40 5 KHBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)S(C)(=O)=O ZINC000409407838 1066837765 /nfs/dbraw/zinc/83/77/65/1066837765.db2.gz AHLFEGQFHFSCJN-UHFFFAOYSA-N 0 0 584.632 3.962 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cccc([N+](=O)[O-])c3OC(=O)/C=C/c3ccccc3)C2=O)o1 ZINC000409408092 1066837738 /nfs/dbraw/zinc/83/77/38/1066837738.db2.gz IMAKPJOKOLHBTQ-ANMLQGLPSA-N 0 0 517.450 3.686 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cccc([N+](=O)[O-])c3OC(=O)c3cccc(C)c3)C2=O)o1 ZINC000409408177 1066837241 /nfs/dbraw/zinc/83/72/41/1066837241.db2.gz JBLWBSOKVCNKGR-PDGQHHTCSA-N 0 0 505.439 3.595 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cccc([N+](=O)[O-])c3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2=O)o1 ZINC000409408689 1066837253 /nfs/dbraw/zinc/83/72/53/1066837253.db2.gz KTGKYSVAVMVHSC-DTLUPDQHSA-N 0 0 562.447 3.594 40 5 KHBBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409408707 1066837293 /nfs/dbraw/zinc/83/72/93/1066837293.db2.gz KVRFZZUTHFZPIZ-UNOMPAQXSA-N 0 0 535.465 3.685 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)o1 ZINC000409408731 1066836686 /nfs/dbraw/zinc/83/66/86/1066836686.db2.gz LGKXAHAYZFRXOQ-KZBAPLJJSA-N 0 0 547.476 3.695 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3ccccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000409409352 1066836287 /nfs/dbraw/zinc/83/62/87/1066836287.db2.gz NXMJYLGKKWAPJS-ZNQUXATOSA-N 0 0 517.450 3.686 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)o1 ZINC000409410312 1066835702 /nfs/dbraw/zinc/83/57/02/1066835702.db2.gz VCFFLDKNZFIHMQ-SBHFKWNXSA-N 0 0 547.476 3.695 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)o1 ZINC000409410333 1066835140 /nfs/dbraw/zinc/83/51/40/1066835140.db2.gz VIINIUHOPFTZON-WQRHYEAKSA-N 0 0 525.857 3.940 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000409410468 1066835192 /nfs/dbraw/zinc/83/51/92/1066835192.db2.gz XIQZFGNQWCCQKT-SSZQZOOLSA-N 0 0 562.447 3.594 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cccc([N+](=O)[O-])c3OC(=O)c3cc(Cl)ccc3OC)C2=O)o1 ZINC000409410605 1066835217 /nfs/dbraw/zinc/83/52/17/1066835217.db2.gz YGXBPUBCFQLMMA-YVLHZVERSA-N 0 0 555.883 3.949 40 5 KHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cccc([N+](=O)[O-])c3OC(=O)c3ccccc3Cl)C2=O)o1 ZINC000409410710 1066835122 /nfs/dbraw/zinc/83/51/22/1066835122.db2.gz ZYXJWWWNPLIZSS-BOPFTXTBSA-N 0 0 525.857 3.940 40 5 KHBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCSCc1c(Cl)cccc1Cl)S(C)(=O)=O ZINC000409410748 1066835168 /nfs/dbraw/zinc/83/51/68/1066835168.db2.gz PGUNJRDURHMSQT-UHFFFAOYSA-N 0 0 522.432 3.726 40 5 KHBBRN COc1ccc2c3nccc4c5ccc(OCC(=O)N6C[C@H]7C[C@@H](C6)c6cccc(=O)n6C7)cc5n(c43)c(=O)c2c1OC ZINC000524732183 1066491290 /nfs/dbraw/zinc/49/12/90/1066491290.db2.gz DXMKKVSQERLAGV-MOPGFXCFSA-N 0 0 576.609 3.796 40 5 KHBBRN O=C1N=C(SCc2ccccc2)NN2C1=c1ccccc1=N[C@H]2c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000588226295 1066495843 /nfs/dbraw/zinc/49/58/43/1066495843.db2.gz QNIHJARJZCIVJN-RUZDIDTESA-N 0 0 509.547 3.931 40 5 KHBBRN O=C1N=C(SCc2ccccc2)NN2C1=c1ccccc1=N[C@@H]2c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000588226296 1066495922 /nfs/dbraw/zinc/49/59/22/1066495922.db2.gz QNIHJARJZCIVJN-VWLOTQADSA-N 0 0 509.547 3.931 40 5 KHBBRN O=C(COc1ccc2c3ccnc4c3n(c2c1)c(=O)c1ccccc14)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000604404493 1066498829 /nfs/dbraw/zinc/49/88/29/1066498829.db2.gz HXMWXZAGACFIEN-MOPGFXCFSA-N 0 0 516.557 3.778 40 5 KHBBRN C[C@H](NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@@H]3C[C@@H](Cn4c(=O)cccc43)[C@@H]12)c1nc2ccccc2[nH]1 ZINC001547205831 1066875841 /nfs/dbraw/zinc/87/58/41/1066875841.db2.gz PPEIDTBCMMFPCL-NUNOCBAXSA-N 0 0 524.581 3.675 40 5 KHBBRN O=C(NCCc1c[nH]c2ccccc12)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@@H]3C[C@@H](Cn4c(=O)cccc43)[C@@H]12 ZINC001547205948 1066875913 /nfs/dbraw/zinc/87/59/13/1066875913.db2.gz ADPMDMIGEWKQSZ-PSWVVNADSA-N 0 0 523.593 3.761 40 5 KHBBRN COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@@H]4C[C@@H](Cn5c(=O)cccc54)[C@@H]12)CC3 ZINC001547206286 1066876526 /nfs/dbraw/zinc/87/65/26/1066876526.db2.gz ARVXNMOFUPPDOX-UTEYTOQFSA-N 0 0 565.630 3.996 40 5 KHBBRN CC(C)c1csc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3C[C@@H]4C[C@@H](Cn5c(=O)cccc54)[C@@H]23)n1 ZINC001547206408 1066876540 /nfs/dbraw/zinc/87/65/40/1066876540.db2.gz XABWLACMGRMXPA-SWITXEBKSA-N 0 0 533.654 3.860 40 5 KHBBRN O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@@H]3C[C@@H](Cn4c(=O)cccc43)[C@@H]12)N1CCc2c([nH]c3ccccc32)C1 ZINC001547208484 1066876562 /nfs/dbraw/zinc/87/65/62/1066876562.db2.gz JFJYDXHMKODWMX-ZOIKVXEPSA-N 0 0 535.604 3.987 40 5 KHBBRN COc1ccc2[nH]cc(CCNC(=O)[C@@H]3Cc4cc([N+](=O)[O-])ccc4N4C[C@@H]5C[C@@H](Cn6c(=O)cccc65)[C@@H]34)c2c1 ZINC001547208784 1066876605 /nfs/dbraw/zinc/87/66/05/1066876605.db2.gz MPKNIDPDTFNMHO-GNGBBJRZSA-N 0 0 553.619 3.770 40 5 KHBBRN O=C(NCCCc1nc2ccccc2[nH]1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@@H]3C[C@@H](Cn4c(=O)cccc43)[C@@H]12 ZINC001547211166 1066876478 /nfs/dbraw/zinc/87/64/78/1066876478.db2.gz SUEFNMQRUDYAQO-OWXBIXQLSA-N 0 0 538.608 3.546 40 5 KHBBRN COc1cc2c(cc1OC)CN(C(=O)[C@@H]1Cc3cc([N+](=O)[O-])ccc3N3C[C@@H]4C[C@@H](Cn5c(=O)cccc54)[C@@H]13)CC2 ZINC001547212384 1066876547 /nfs/dbraw/zinc/87/65/47/1066876547.db2.gz CBSFMLAMYSBPAY-HUAFXIELSA-N 0 0 556.619 3.523 40 5 KHBBRN CC(C)CN(C[C@@H](O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001560407539 1066878425 /nfs/dbraw/zinc/87/84/25/1066878425.db2.gz PWVAJARFQDZJLN-HSZRJFAPSA-N 0 0 520.628 3.902 40 5 KHBBRN