smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(N[C@@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl)OCc1ccccc1 ZINC000003013856 194206861 /nfs/dbraw/zinc/20/68/61/194206861.db2.gz OPOHCSGURMTFQV-CQSZACIVSA-N 0 0 477.757 4.504 40 5 JJBBRN O=[N+]([O-])c1ccc(Cl)c(Nc2nc3nonc3nc2Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000003146367 194231978 /nfs/dbraw/zinc/23/19/78/194231978.db2.gz UQEWLOPUUMPLAL-UHFFFAOYSA-N 0 0 463.197 4.623 40 5 JJBBRN O=C(CSc1nnc(CNc2ccc(F)cc2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000006474693 194428488 /nfs/dbraw/zinc/42/84/88/194428488.db2.gz PMLFLSAKWRGXGO-UHFFFAOYSA-N 0 0 478.509 4.658 40 5 JJBBRN COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000006924659 194436506 /nfs/dbraw/zinc/43/65/06/194436506.db2.gz NMDMRHKNAHCKIN-UHFFFAOYSA-N 0 0 475.530 4.641 40 5 JJBBRN CC1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000008831485 194483649 /nfs/dbraw/zinc/48/36/49/194483649.db2.gz SIFTZSCNFICCTC-UHFFFAOYSA-N 0 0 467.595 4.558 40 5 JJBBRN COc1ccc(-n2nc3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3n2)cc1Cl ZINC000020610790 195183722 /nfs/dbraw/zinc/18/37/22/195183722.db2.gz PVMGGUTUEJVGPE-UHFFFAOYSA-N 0 0 458.261 4.896 40 5 JJBBRN CCOC(=O)C1C(c2ccc(OC)cc2)=Nc2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000021005713 195265982 /nfs/dbraw/zinc/26/59/82/195265982.db2.gz HFJYRQKRWHYYMJ-XMMPIXPASA-N 0 0 470.485 4.942 40 5 JJBBRN COc1c(Br)c2ccccc2cc1C(=O)Nc1cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c1 ZINC000021123693 195279977 /nfs/dbraw/zinc/27/99/77/195279977.db2.gz ICITUNFJHQSQHD-UHFFFAOYSA-N 0 0 476.239 4.688 40 5 JJBBRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2Cl)CC1 ZINC000021124305 195280120 /nfs/dbraw/zinc/28/01/20/195280120.db2.gz SWCDXFIOIMQNQN-UHFFFAOYSA-N 0 0 479.364 4.849 40 5 JJBBRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2Cl)CC1 ZINC000021124335 195280200 /nfs/dbraw/zinc/28/02/00/195280200.db2.gz SCGSYAGRXXTKLJ-UHFFFAOYSA-N 0 0 479.364 4.849 40 5 JJBBRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)CC2)cc1 ZINC000021124560 195280460 /nfs/dbraw/zinc/28/04/60/195280460.db2.gz USKNNTRRKDDWNE-UHFFFAOYSA-N 0 0 472.545 4.680 40 5 JJBBRN CC(=O)n1c(-c2ccc(Cl)cc2)nc2c1SC(c1ccc([N+](=O)[O-])cc1)=NN2C(C)=O ZINC000016777588 518499281 /nfs/dbraw/zinc/49/92/81/518499281.db2.gz CFCOEPKLVAPZEH-UHFFFAOYSA-N 0 0 455.883 4.592 40 5 JJBBRN CCCCOC(=O)[C@H]1ON(c2ccc(C=O)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)OCCCC ZINC000005665130 520721226 /nfs/dbraw/zinc/72/12/26/520721226.db2.gz IFILWLJINXDARU-HJOGWXRNSA-N 0 0 498.532 4.572 40 5 JJBBRN CC1=NN(c2ccccc2)C(=O)[C@@]12C(c1ccc([N+](=O)[O-])cc1)[C@]21C(C)=NN(c2ccccc2)C1=O ZINC000016607472 520897221 /nfs/dbraw/zinc/89/72/21/520897221.db2.gz YTKVKPSZZLYYEO-SVBPBHIXSA-N 0 0 479.496 4.510 40 5 JJBBRN CC1=NN(c2ccccc2)C(=O)[C@]12C(c1ccc([N+](=O)[O-])cc1)[C@@]21C(C)=NN(c2ccccc2)C1=O ZINC000016607469 520897341 /nfs/dbraw/zinc/89/73/41/520897341.db2.gz YTKVKPSZZLYYEO-KAYWLYCHSA-N 0 0 479.496 4.510 40 5 JJBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(CNc2ccc(F)cc2)n1-c1ccccc1 ZINC000006194275 525568060 /nfs/dbraw/zinc/56/80/60/525568060.db2.gz MYZSZBNIIRFTFY-UHFFFAOYSA-N 0 0 492.536 4.966 40 5 JJBBRN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN21 ZINC000013815622 526213000 /nfs/dbraw/zinc/21/30/00/526213000.db2.gz CIEPJQVBYARERO-QRXMYIDTSA-N 0 0 485.565 4.722 40 5 JJBBRN O=C(CSc1cccc2cccnc21)NCCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000020494397 527040782 /nfs/dbraw/zinc/04/07/82/527040782.db2.gz AKNLSXXVJRCOAF-UHFFFAOYSA-N 0 0 464.469 4.872 40 5 JJBBRN Nc1c(C(=O)Nc2ccccc2C(F)(F)F)c2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000022760497 527429012 /nfs/dbraw/zinc/42/90/12/527429012.db2.gz BGGGCJXSLSVXEE-UHFFFAOYSA-N 0 0 468.391 4.932 40 5 JJBBRN O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000016429299 527520560 /nfs/dbraw/zinc/52/05/60/527520560.db2.gz JCRZOGPXLBGCGJ-UHFFFAOYSA-N 0 0 473.319 4.835 40 5 JJBBRN COc1ccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)cc1 ZINC000000863273 553803248 /nfs/dbraw/zinc/80/32/48/553803248.db2.gz WXZBNFRPNDYDHR-UHFFFAOYSA-N 0 0 475.530 4.890 40 5 JJBBRN COc1ccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2Cc2ccccc2)cc1 ZINC000000873196 553811077 /nfs/dbraw/zinc/81/10/77/553811077.db2.gz WDJOGJDJLKQENO-UHFFFAOYSA-N 0 0 475.530 4.641 40 5 JJBBRN O=C(CSc1nnc(COc2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1)Nc1ccccc1F ZINC000000881654 553818385 /nfs/dbraw/zinc/81/83/85/553818385.db2.gz YJBHKGYFQGPQEN-UHFFFAOYSA-N 0 0 493.520 4.684 40 5 JJBBRN CCOc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)cc1[N+](=O)[O-] ZINC000005949395 554498646 /nfs/dbraw/zinc/49/86/46/554498646.db2.gz MFFGWDLEHOBAFF-UHFFFAOYSA-N 0 0 492.513 4.943 40 5 JJBBRN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000006177088 554514724 /nfs/dbraw/zinc/51/47/24/554514724.db2.gz RLVLFODKGQMBCP-UHFFFAOYSA-N 0 0 461.503 4.582 40 5 JJBBRN Cc1ccc(NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 ZINC000006245437 554521959 /nfs/dbraw/zinc/52/19/59/554521959.db2.gz ILUKWLUTSOPJHK-UHFFFAOYSA-N 0 0 474.546 4.827 40 5 JJBBRN CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000006878383 554559765 /nfs/dbraw/zinc/55/97/65/554559765.db2.gz KCWXZBDVOJYWCO-UHFFFAOYSA-N 0 0 460.947 4.511 40 5 JJBBRN CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006878546 554560157 /nfs/dbraw/zinc/56/01/57/554560157.db2.gz VHJPFHHVRBIXIN-CYBMUJFWSA-N 0 0 461.931 4.558 40 5 JJBBRN COc1ccc(CCNC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2ccccc24)cc1 ZINC000008792257 554685541 /nfs/dbraw/zinc/68/55/41/554685541.db2.gz XUCWJHGHLOKMHH-SFHVURJKSA-N 0 0 491.547 4.727 40 5 biogenic JJBBRN CC(C)COc1ccc(C(=O)NC(=S)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000008831130 554721177 /nfs/dbraw/zinc/72/11/77/554721177.db2.gz PPEPBSKCULUYSU-UHFFFAOYSA-N 0 0 456.549 4.880 40 5 JJBBRN O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008831486 554722609 /nfs/dbraw/zinc/72/26/09/554722609.db2.gz VUKJWNXCJFSMKL-UHFFFAOYSA-N 0 0 450.520 4.972 40 5 JJBBRN Cc1ccc2nc(-c3cccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)oc2c1 ZINC000008831967 554724637 /nfs/dbraw/zinc/72/46/37/554724637.db2.gz IKNISWWOOLCFEU-UHFFFAOYSA-N 0 0 458.474 4.800 40 5 JJBBRN Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000008833018 554729459 /nfs/dbraw/zinc/72/94/59/554729459.db2.gz VBJJXTDCHSMDLY-UHFFFAOYSA-N 0 0 492.605 4.643 40 5 JJBBRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)ccc3O)nc2c1 ZINC000008835203 554733738 /nfs/dbraw/zinc/73/37/38/554733738.db2.gz AAFJOODURXBTGX-UHFFFAOYSA-N 0 0 492.513 4.806 40 5 JJBBRN COc1cccc(NC(=O)c2cc3c4ccccc4n4c3c(n2)c2ccc(OC)c(OC)c2c4=O)c1 ZINC000008877764 554773363 /nfs/dbraw/zinc/77/33/63/554773363.db2.gz HZSAIAWBEDXOKP-UHFFFAOYSA-N 0 0 479.492 4.870 40 5 biogenic JJBBRN O=C(c1cccc(-c2cc3ccccc3oc2=O)c1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000008898668 554789424 /nfs/dbraw/zinc/78/94/24/554789424.db2.gz OVNGCZMKRMAIRT-UHFFFAOYSA-N 0 0 489.915 4.984 40 5 JJBBRN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008899795 554791107 /nfs/dbraw/zinc/79/11/07/554791107.db2.gz NERNPBHYMKZKOZ-UHFFFAOYSA-N 0 0 489.351 4.570 40 5 JJBBRN Cc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O ZINC000008901214 554794337 /nfs/dbraw/zinc/79/43/37/554794337.db2.gz SDVOKNRRYXDYIV-UHFFFAOYSA-N 0 0 485.496 4.766 40 5 JJBBRN CCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000009289753 555064148 /nfs/dbraw/zinc/06/41/48/555064148.db2.gz BFURDYFRTOVTEE-ZLNRFVROSA-N 0 0 493.903 4.698 40 5 JJBBRN CCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)cc1 ZINC000009307601 555080622 /nfs/dbraw/zinc/08/06/22/555080622.db2.gz DDQWRVUFIHYGNV-GVAUOCQISA-N 0 0 487.512 4.825 40 5 JJBBRN COC(=O)c1c(C)c(C(=O)Nc2cc(C)ccc2C)sc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013388617 555394185 /nfs/dbraw/zinc/39/41/85/555394185.db2.gz VKZVUYCAZZLNAX-UHFFFAOYSA-N 0 0 467.503 4.873 40 5 JJBBRN COC(=O)c1c(C)c(C(=O)Nc2ccccc2C)sc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000013401211 555395774 /nfs/dbraw/zinc/39/57/74/555395774.db2.gz GLXNYXAYFQECBK-UHFFFAOYSA-N 0 0 453.476 4.564 40 5 JJBBRN Cc1cc(C)c(OCC(=O)NC(=S)Nc2ccc(Cl)cc2[N+](=O)[O-])c(Br)c1 ZINC000019894049 555531856 /nfs/dbraw/zinc/53/18/56/555531856.db2.gz PLTCPTMGSOZNHY-UHFFFAOYSA-N 0 0 472.748 4.520 40 5 JJBBRN Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)ccc2[N+](=O)[O-])n1 ZINC000013633042 555543122 /nfs/dbraw/zinc/54/31/22/555543122.db2.gz GICWNCRSDFUUQU-UHFFFAOYSA-N 0 0 474.348 4.667 40 5 JJBBRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nn12 ZINC000010010309 555592223 /nfs/dbraw/zinc/59/22/23/555592223.db2.gz GIARLSULKLWJEA-UHFFFAOYSA-N 0 0 490.501 4.844 40 5 JJBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)nc21 ZINC000010010636 555593024 /nfs/dbraw/zinc/59/30/24/555593024.db2.gz MZUQRIGRCPNCBQ-UHFFFAOYSA-N 0 0 454.420 4.942 40 5 JJBBRN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000013810879 555626171 /nfs/dbraw/zinc/62/61/71/555626171.db2.gz JUJYJBMCGMULIJ-FSSWDIPSSA-N 0 0 463.877 4.608 40 5 JJBBRN CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000014126593 555697024 /nfs/dbraw/zinc/69/70/24/555697024.db2.gz BGKBKJWMKGZMRQ-UHFFFAOYSA-N 0 0 475.958 4.786 40 5 JJBBRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])ccc3O)nc2c1 ZINC000014270302 555762364 /nfs/dbraw/zinc/76/23/64/555762364.db2.gz YRKCGXCUMJQDEI-UHFFFAOYSA-N 0 0 462.487 4.798 40 5 JJBBRN CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)CC1 ZINC000014271347 555765999 /nfs/dbraw/zinc/76/59/99/555765999.db2.gz KLYBKQICCRPQFY-UHFFFAOYSA-N 0 0 467.595 4.558 40 5 JJBBRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000014272520 555770306 /nfs/dbraw/zinc/77/03/06/555770306.db2.gz UBDQTTFVXJRNJZ-UHFFFAOYSA-N 0 0 458.474 4.800 40 5 JJBBRN O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014272600 555770554 /nfs/dbraw/zinc/77/05/54/555770554.db2.gz YSSVDPFRJHLNBW-UHFFFAOYSA-N 0 0 462.437 4.631 40 5 JJBBRN Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000014274114 555775987 /nfs/dbraw/zinc/77/59/87/555775987.db2.gz HNYVKYPOLMBRDV-UHFFFAOYSA-N 0 0 475.530 4.912 40 5 JJBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3n2)c(C)c1 ZINC000014278549 555788899 /nfs/dbraw/zinc/78/88/99/555788899.db2.gz RIIVKNCNQJVHIR-UHFFFAOYSA-N 0 0 488.548 4.809 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000014411071 555810075 /nfs/dbraw/zinc/81/00/75/555810075.db2.gz SXDPAJQUSORBQF-UHFFFAOYSA-N 0 0 473.938 4.775 40 5 JJBBRN Cc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccccc2)cc1Cl ZINC000014413648 555812990 /nfs/dbraw/zinc/81/29/90/555812990.db2.gz HMTAGKIDNLYJFP-UHFFFAOYSA-N 0 0 473.938 4.699 40 5 JJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)c(C)c1 ZINC000014831567 555840604 /nfs/dbraw/zinc/84/06/04/555840604.db2.gz BELGYUAIEKNDGV-NTUHNPAUSA-N 0 0 451.504 4.664 40 5 JJBBRN CCCCCSc1nnc2c(n1)O[C@H](c1ccc(O)c(OC)c1[N+](=O)[O-])Nc1ccccc1-2 ZINC000015015527 555856179 /nfs/dbraw/zinc/85/61/79/555856179.db2.gz CWTNKMDJCNSKQG-HXUWFJFHSA-N 0 0 469.523 4.946 40 5 JJBBRN Cc1ccc(-c2noc(CN(C(=O)COc3ccc([N+](=O)[O-])c(C)c3)C3CCCC3)n2)cc1 ZINC000022257326 555904916 /nfs/dbraw/zinc/90/49/16/555904916.db2.gz OPPLREBPBMNTBL-UHFFFAOYSA-N 0 0 450.495 4.612 40 5 JJBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1cccc2ccccc21 ZINC000022278310 555916200 /nfs/dbraw/zinc/91/62/00/555916200.db2.gz XYBREIKJSVUTCY-UHFFFAOYSA-N 0 0 461.499 4.582 40 5 JJBBRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 ZINC000016637107 556149003 /nfs/dbraw/zinc/14/90/03/556149003.db2.gz OGSRGNFVKNUNLX-UHFFFAOYSA-N 0 0 499.774 4.876 40 5 JJBBRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000016692003 556153403 /nfs/dbraw/zinc/15/34/03/556153403.db2.gz VPBKIVRFYIOYPS-UHFFFAOYSA-N 0 0 492.513 4.937 40 5 JJBBRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)cc1 ZINC000016692067 556153656 /nfs/dbraw/zinc/15/36/56/556153656.db2.gz FEKYYEJKFFECAB-UHFFFAOYSA-N 0 0 462.487 4.929 40 5 JJBBRN CCCOc1ccc(C(=O)Oc2ccc(O)c(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000019075487 556327912 /nfs/dbraw/zinc/32/79/12/556327912.db2.gz VJBWAOHLRXLZCQ-UHFFFAOYSA-N 0 0 451.431 4.665 40 5 JJBBRN COc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1NC(=O)C(C)C ZINC000059294298 569602493 /nfs/dbraw/zinc/60/24/93/569602493.db2.gz FHMLXOYOSIZQGI-UHFFFAOYSA-N 0 0 454.527 4.687 40 5 JJBBRN O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)c1ccccc1 ZINC000059449297 569603967 /nfs/dbraw/zinc/60/39/67/569603967.db2.gz QAAUPGSSXGUGEY-UHFFFAOYSA-N 0 0 475.507 4.980 40 5 JJBBRN O=C(c1ccc(-c2ccccc2)cc1)N1NC(C(F)(F)F)=C[C@@]1(O)c1cccc([N+](=O)[O-])c1 ZINC000059489087 569605610 /nfs/dbraw/zinc/60/56/10/569605610.db2.gz LNUXZJDIZUVCQT-JOCHJYFZSA-N 0 0 455.392 4.871 40 5 JJBBRN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000033625647 569629091 /nfs/dbraw/zinc/62/90/91/569629091.db2.gz SMSMRELAWQSERK-UHFFFAOYSA-N 0 0 456.241 4.955 40 5 JJBBRN COc1c(Cl)cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1 ZINC000035086384 569674652 /nfs/dbraw/zinc/67/46/52/569674652.db2.gz DYPVHWNWMRRMGH-UHFFFAOYSA-N 0 0 455.850 4.876 40 5 JJBBRN CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccc(F)cc2)[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000035808646 569712112 /nfs/dbraw/zinc/71/21/12/569712112.db2.gz PMZFVCYLBMROGR-UWUFEASWSA-N 0 0 479.895 4.763 40 5 JJBBRN O=[N+]([O-])c1cc(Br)cc([N+](=O)[O-])c1-c1c([N+](=O)[O-])cc(Br)cc1[N+](=O)[O-] ZINC000100099227 569752967 /nfs/dbraw/zinc/75/29/67/569752967.db2.gz PQELXIUPPLQDKT-UHFFFAOYSA-N 0 0 491.992 4.511 40 5 JJBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccccc1 ZINC000101106207 569783018 /nfs/dbraw/zinc/78/30/18/569783018.db2.gz GJVYHXULAHPFTM-HBMCJLEFSA-N 0 0 484.295 4.953 40 5 JJBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000038771226 569807496 /nfs/dbraw/zinc/80/74/96/569807496.db2.gz NFNHSFWOADIHJR-UHFFFAOYSA-N 0 0 466.302 4.955 40 5 JJBBRN Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)s1 ZINC000039768289 569811688 /nfs/dbraw/zinc/81/16/88/569811688.db2.gz BDJNVYGFPLLOGK-UHFFFAOYSA-N 0 0 465.516 4.988 40 5 JJBBRN COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000039767130 569811712 /nfs/dbraw/zinc/81/17/12/569811712.db2.gz YKQZWCMZHRGHKN-NTEUORMPSA-N 0 0 485.456 4.558 40 5 JJBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000039767340 569811789 /nfs/dbraw/zinc/81/17/89/569811789.db2.gz TZEOGBGCIBTUSE-UHFFFAOYSA-N 0 0 490.457 4.526 40 5 JJBBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C(=O)N1c1ccccc1 ZINC000102730074 569818032 /nfs/dbraw/zinc/81/80/32/569818032.db2.gz CJNZCBZZPHBHJA-GVAUOCQISA-N 0 0 481.464 4.906 40 5 JJBBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@@H]2C(=O)N1c1ccccc1 ZINC000102755227 569821396 /nfs/dbraw/zinc/82/13/96/569821396.db2.gz MNXKREDWCRGYCZ-GVAUOCQISA-N 0 0 481.464 4.906 40 5 JJBBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000102766972 569823018 /nfs/dbraw/zinc/82/30/18/569823018.db2.gz AWEMUSNXCYCNEW-NJYVYQBISA-N 0 0 483.402 4.665 40 5 JJBBRN Cc1ccc(C(=O)[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]3CSCN3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000102772003 569823465 /nfs/dbraw/zinc/82/34/65/569823465.db2.gz GWWBCAZAJVPJLP-JPYYHWIRSA-N 0 0 485.565 4.722 40 5 JJBBRN Cc1ccc(C(=O)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]3CSCN3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000105346339 569852834 /nfs/dbraw/zinc/85/28/34/569852834.db2.gz QPGZIVYPMJDZHQ-JPYYHWIRSA-N 0 0 485.565 4.722 40 5 JJBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OC(F)F ZINC000106727411 569855233 /nfs/dbraw/zinc/85/52/33/569855233.db2.gz ZOZDEIKJWOPWBA-YVLHZVERSA-N 0 0 450.419 4.831 40 5 JJBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000106738645 569855322 /nfs/dbraw/zinc/85/53/22/569855322.db2.gz AIAXQOWCMBVYJL-BNCCVWRVSA-N 0 0 453.259 4.867 40 5 JJBBRN C/C(=C\c1cc(Br)cc(Br)c1OC(=O)c1ccc2c(c1)OCO2)[N+](=O)[O-] ZINC000108112438 569858642 /nfs/dbraw/zinc/85/86/42/569858642.db2.gz CNCIPMYAIOPWSG-RUDMXATFSA-N 0 0 485.084 4.797 40 5 JJBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 ZINC000138838663 569866493 /nfs/dbraw/zinc/86/64/93/569866493.db2.gz NJKUOSYMBRZZAF-ZNZDAUKMSA-N 0 0 490.343 4.880 40 5 JJBBRN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000197742325 569873780 /nfs/dbraw/zinc/87/37/80/569873780.db2.gz WYDVOAHSADRPOJ-MTJSOVHGSA-N 0 0 493.928 4.606 40 5 JJBBRN O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)Nc1ccccc1 ZINC000214669074 569876879 /nfs/dbraw/zinc/87/68/79/569876879.db2.gz BJJVDGWVFLQKAM-HYARGMPZSA-N 0 0 489.509 4.849 40 5 JJBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccncc1 ZINC000215026271 569877133 /nfs/dbraw/zinc/87/71/33/569877133.db2.gz TVLHQGHSIHPDJB-LPYMAVHISA-N 0 0 477.498 4.814 40 5 JJBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222508184 569885043 /nfs/dbraw/zinc/88/50/43/569885043.db2.gz IQVRLYCTEZWWKX-NRFANRHFSA-N 0 0 478.014 4.813 40 5 JJBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222557086 569885813 /nfs/dbraw/zinc/88/58/13/569885813.db2.gz NPZWKWXUBNGGFC-NRFANRHFSA-N 0 0 478.014 4.813 40 5 JJBBRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222715878 569889401 /nfs/dbraw/zinc/88/94/01/569889401.db2.gz OVMKWEWUPJHWFU-AREMUKBSSA-N 0 0 491.563 4.689 40 5 JJBBRN CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222756358 569890402 /nfs/dbraw/zinc/89/04/02/569890402.db2.gz ZCAZFSHQZVMAPT-LJQANCHMSA-N 0 0 466.365 4.776 40 5 JJBBRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223145797 569901107 /nfs/dbraw/zinc/90/11/07/569901107.db2.gz PRRBSHISCXKOGD-KRWDZBQOSA-N 0 0 478.014 4.815 40 5 JJBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223181446 569902372 /nfs/dbraw/zinc/90/23/72/569902372.db2.gz XTWPYPLYKAYMET-JOCHJYFZSA-N 0 0 471.623 4.859 40 5 JJBBRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223330394 569907802 /nfs/dbraw/zinc/90/78/02/569907802.db2.gz WKIMARBLYHSELR-IBGZPJMESA-N 0 0 484.405 4.688 40 5 JJBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)o2)c1 ZINC000223481852 569912819 /nfs/dbraw/zinc/91/28/19/569912819.db2.gz FTFMUZJHOKTHTA-XZOQPEGZSA-N 0 0 457.515 4.818 40 5 JJBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)o2)c1 ZINC000223519849 569914381 /nfs/dbraw/zinc/91/43/81/569914381.db2.gz LZKMVDOCLZUAQZ-DHIUTWEWSA-N 0 0 457.515 4.818 40 5 JJBBRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223657471 569919242 /nfs/dbraw/zinc/91/92/42/569919242.db2.gz LLYMFCZEWJFRFA-HSZRJFAPSA-N 0 0 471.623 4.860 40 5 JJBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223814902 569924167 /nfs/dbraw/zinc/92/41/67/569924167.db2.gz GZYBTUHBCASMBZ-QGZVFWFLSA-N 0 0 490.025 4.958 40 5 JJBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)cc1 ZINC000224026310 569931071 /nfs/dbraw/zinc/93/10/71/569931071.db2.gz YJBXQHFWLBWZNV-RPWUZVMVSA-N 0 0 485.525 4.686 40 5 JJBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224157957 569934835 /nfs/dbraw/zinc/93/48/35/569934835.db2.gz MQPDTFHDABXIDR-VWLOTQADSA-N 0 0 493.991 4.957 40 5 JJBBRN CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224605253 569950336 /nfs/dbraw/zinc/95/03/36/569950336.db2.gz CYQFMPBZUAWNIM-DEOSSOPVSA-N 0 0 483.634 4.737 40 5 JJBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)cc1 ZINC000224614326 569950817 /nfs/dbraw/zinc/95/08/17/569950817.db2.gz HWHKZEBRZKKKIU-DHIUTWEWSA-N 0 0 457.515 4.663 40 5 JJBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224632353 569951563 /nfs/dbraw/zinc/95/15/63/569951563.db2.gz PYPIZPITZQWWBI-HSZRJFAPSA-N 0 0 471.623 4.716 40 5 JJBBRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224765786 569956681 /nfs/dbraw/zinc/95/66/81/569956681.db2.gz JKCPRQDFNKVXKO-HHHXNRCGSA-N 0 0 485.584 4.836 40 5 JJBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224820809 569959150 /nfs/dbraw/zinc/95/91/50/569959150.db2.gz QCWVNHPIJNNRNV-GOSISDBHSA-N 0 0 487.597 4.833 40 5 JJBBRN CC(C)(C)CC(C)(C)NC(=O)c1ccc(CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000224821362 569959204 /nfs/dbraw/zinc/95/92/04/569959204.db2.gz VBJIWUMCKSUPRR-UHFFFAOYSA-N 0 0 461.584 4.506 40 5 JJBBRN CCCC[C@@H](CC)CNC(=O)c1ccc(CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000224855830 569960422 /nfs/dbraw/zinc/96/04/22/569960422.db2.gz UDKGAEWDSJFEID-LJQANCHMSA-N 0 0 475.611 4.816 40 5 JJBBRN COc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)NC2CCCCC2)c1 ZINC000224932667 569963881 /nfs/dbraw/zinc/96/38/81/569963881.db2.gz KTGUFMAZXRYBCQ-IBGZPJMESA-N 0 0 499.633 4.703 40 5 JJBBRN Cc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)n2C)cc1[N+](=O)[O-] ZINC000408600008 569968308 /nfs/dbraw/zinc/96/83/08/569968308.db2.gz QTEYBAWXPSSYGH-UHFFFAOYSA-N 0 0 482.349 4.648 40 5 JJBBRN O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)o1 ZINC000408600125 569968379 /nfs/dbraw/zinc/96/83/79/569968379.db2.gz VCQBZWFGQNQYMO-UHFFFAOYSA-N 0 0 463.229 4.770 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000408602276 569969520 /nfs/dbraw/zinc/96/95/20/569969520.db2.gz CRFKDDAWKSPLNH-UHFFFAOYSA-N 0 0 459.911 4.918 40 5 JJBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225136255 569977305 /nfs/dbraw/zinc/97/73/05/569977305.db2.gz MFAPYMLJIIKLDM-DLBZAZTESA-N 0 0 478.014 4.813 40 5 JJBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225226156 569983919 /nfs/dbraw/zinc/98/39/19/569983919.db2.gz PBQHWHZTJIBKHI-OAQYLSRUSA-N 0 0 478.014 4.815 40 5 JJBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225286032 569988365 /nfs/dbraw/zinc/98/83/65/569988365.db2.gz BBLOSWSSMOTVSX-GJZGRUSLSA-N 0 0 466.365 4.776 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccccc3C)cc2)CC1=O ZINC000408642906 569989982 /nfs/dbraw/zinc/98/99/82/569989982.db2.gz PRIIUXXOFDHLDE-QGZVFWFLSA-N 0 0 461.474 4.696 40 5 JJBBRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)c(C)c1 ZINC000408642797 569989994 /nfs/dbraw/zinc/98/99/94/569989994.db2.gz FFNXULSQIGDFSV-HXUWFJFHSA-N 0 0 488.496 4.783 40 5 JJBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408657516 569998257 /nfs/dbraw/zinc/99/82/57/569998257.db2.gz UKLHSCOHESJUKZ-QGZVFWFLSA-N 0 0 494.887 4.820 40 5 JJBBRN Cc1cccc(C)c1N1C[C@H](C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)CC1=O ZINC000408657543 569998382 /nfs/dbraw/zinc/99/83/82/569998382.db2.gz UMRYCCOORQPNHY-HXUWFJFHSA-N 0 0 488.496 4.783 40 5 JJBBRN Cc1ccc(NC(=O)COC(=O)CCC(=O)N(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000408661665 570001135 /nfs/dbraw/zinc/00/11/35/570001135.db2.gz GOZMOZJNNQCOIJ-UHFFFAOYSA-N 0 0 461.474 4.530 40 5 JJBBRN O=C(CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1 ZINC000225519719 570002000 /nfs/dbraw/zinc/00/20/00/570002000.db2.gz VEGBZWJTCVBRSJ-JWQCQUIFSA-N 0 0 499.552 4.861 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225529130 570002870 /nfs/dbraw/zinc/00/28/70/570002870.db2.gz VPOBLCZBPFDXRQ-XXBNENTESA-N 0 0 471.623 4.859 40 5 JJBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225529112 570002918 /nfs/dbraw/zinc/00/29/18/570002918.db2.gz VPOBLCZBPFDXRQ-WMZHIEFXSA-N 0 0 471.623 4.859 40 5 JJBBRN O=C(CCCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000408666962 570004998 /nfs/dbraw/zinc/00/49/98/570004998.db2.gz IFKIAQMFZYNFLI-UHFFFAOYSA-N 0 0 487.818 4.558 40 5 JJBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408668311 570005924 /nfs/dbraw/zinc/00/59/24/570005924.db2.gz VXBXWKHSSQDTCG-CSKPTYFESA-N 0 0 465.292 4.692 40 5 JJBBRN 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CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O ZINC000409010356 570099368 /nfs/dbraw/zinc/09/93/68/570099368.db2.gz CIBHVQQPJAHOLN-NGZBARDMSA-N 0 0 479.514 4.586 40 5 JJBBRN COc1ccc(CCCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1C ZINC000409019261 570102408 /nfs/dbraw/zinc/10/24/08/570102408.db2.gz WFBGURJOBGZYPD-UHFFFAOYSA-N 0 0 456.524 4.509 40 5 JJBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409066802 570116659 /nfs/dbraw/zinc/11/66/59/570116659.db2.gz BMJBISFOBKBYCX-LPYMAVHISA-N 0 0 491.475 4.805 40 5 JJBBRN CCn1c(SCC(=O)Nc2ccc(Br)cc2C)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409125591 570137688 /nfs/dbraw/zinc/13/76/88/570137688.db2.gz CZRMAFGKVTUDPO-UHFFFAOYSA-N 0 0 476.356 4.675 40 5 JJBBRN Cc1cc(Br)c(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)cc1C ZINC000409129007 570139338 /nfs/dbraw/zinc/13/93/38/570139338.db2.gz QHPVJSWKMIJXHU-UHFFFAOYSA-N 0 0 476.356 4.500 40 5 JJBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)Nc1ccc(Cl)cc1 ZINC000409161150 570152038 /nfs/dbraw/zinc/15/20/38/570152038.db2.gz YWBKBMHYXSIQLM-NVNXTCNLSA-N 0 0 452.275 4.577 40 5 JJBBRN CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1ccc(Br)cc1 ZINC000409172608 570155471 /nfs/dbraw/zinc/15/54/71/570155471.db2.gz DLOZHFGNNGRLGN-UHFFFAOYSA-N 0 0 476.356 4.675 40 5 JJBBRN COc1ccc(NC(=O)CCC(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000409177913 570157764 /nfs/dbraw/zinc/15/77/64/570157764.db2.gz DQCOAIRCNINNPE-UHFFFAOYSA-N 0 0 450.447 4.858 40 5 JJBBRN Cc1c(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409179682 570158502 /nfs/dbraw/zinc/15/85/02/570158502.db2.gz UBYYSEBBFUKUAF-UHFFFAOYSA-N 0 0 453.363 4.869 40 5 JJBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000409179754 570158561 /nfs/dbraw/zinc/15/85/61/570158561.db2.gz UUTARQBRIMBJPV-RUZDIDTESA-N 0 0 491.456 4.698 40 5 JJBBRN O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1 ZINC000409180563 570158852 /nfs/dbraw/zinc/15/88/52/570158852.db2.gz WYWWWTFGDLALAK-DEOSSOPVSA-N 0 0 450.422 4.620 40 5 JJBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000409184201 570160412 /nfs/dbraw/zinc/16/04/12/570160412.db2.gz YDHYFMLKYGBOCF-APSNUPSMSA-N 0 0 466.302 4.885 40 5 JJBBRN CCOc1cc(/C=C2/N=C(c3ccco3)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000409194583 570163109 /nfs/dbraw/zinc/16/31/09/570163109.db2.gz PTPFWJREHISTGA-AFYXKLSTSA-N 0 0 474.425 4.550 40 5 JJBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409199330 570164596 /nfs/dbraw/zinc/16/45/96/570164596.db2.gz BZRVSLJFWURFPS-GEYIUBJWSA-N 0 0 470.503 4.552 40 5 JJBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)cc1 ZINC000409201189 570165342 /nfs/dbraw/zinc/16/53/42/570165342.db2.gz MEYOYUGGDBNHNM-IUXPMGMMSA-N 0 0 496.328 4.975 40 5 JJBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)OCC(C)C)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409203320 570166425 /nfs/dbraw/zinc/16/64/25/570166425.db2.gz WJPDFUBWPWLXDC-OCKHKDLRSA-N 0 0 458.492 4.707 40 5 JJBBRN CCCCOC(=O)CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O ZINC000409214437 570171640 /nfs/dbraw/zinc/17/16/40/570171640.db2.gz VHPQRZCSULBORO-XKZIYDEJSA-N 0 0 493.541 4.977 40 5 JJBBRN COCCCN1C(=O)S/C(=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O ZINC000409223899 570175416 /nfs/dbraw/zinc/17/54/16/570175416.db2.gz GOFSQJNHBDCBMX-HYARGMPZSA-N 0 0 465.531 4.979 40 5 JJBBRN O=C(CN1C(=O)SC(=Cc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)c1ccccc1 ZINC000409225403 570175810 /nfs/dbraw/zinc/17/58/10/570175810.db2.gz QGWZFTYSLYISLO-NDENLUEZSA-N 0 0 461.455 4.701 40 5 JJBBRN CC[C@@H](C)Nc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328969931 570179821 /nfs/dbraw/zinc/17/98/21/570179821.db2.gz DGLAGSAHQGEEBK-GFCCVEGCSA-N 0 0 465.407 4.887 40 5 JJBBRN Cc1c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@H](CO)C(C)C)n2)cccc1[N+](=O)[O-] ZINC000328970792 570179945 /nfs/dbraw/zinc/17/99/45/570179945.db2.gz DMMPTOOIXRATIR-LJQANCHMSA-N 0 0 491.470 5.431 40 5 JJBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=O)cc1 ZINC000409238080 570180587 /nfs/dbraw/zinc/18/05/87/570180587.db2.gz YYXTWOVXKPSXPQ-CIAFOILYSA-N 0 0 493.497 4.847 40 5 JJBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409243797 570183232 /nfs/dbraw/zinc/18/32/32/570183232.db2.gz ULGMAGHVRJJPRT-OEAKJJBVSA-N 0 0 487.512 4.974 40 5 JJBBRN O=[N+]([O-])c1ccc(Cl)cc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CC2)n1 ZINC000329069733 570183886 /nfs/dbraw/zinc/18/38/86/570183886.db2.gz ZAMPVKXFKXKFKK-UHFFFAOYSA-N 0 0 465.819 4.766 40 5 JJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)Nc1cccc(F)c1 ZINC000409246986 570184521 /nfs/dbraw/zinc/18/45/21/570184521.db2.gz FNLFKOVYZZYYPM-VXLYETTFSA-N 0 0 494.460 4.596 40 5 JJBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)o1 ZINC000409246756 570184523 /nfs/dbraw/zinc/18/45/23/570184523.db2.gz DFPSGQHOEOTVAS-RGVLZGJSSA-N 0 0 497.460 4.678 40 5 JJBBRN COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409249185 570185289 /nfs/dbraw/zinc/18/52/89/570185289.db2.gz JTKBODAWNJWBKI-LPYMAVHISA-N 0 0 473.485 4.584 40 5 JJBBRN COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408559088 570199412 /nfs/dbraw/zinc/19/94/12/570199412.db2.gz VITAHQOLHRMBDO-UHFFFAOYSA-N 0 0 496.328 4.963 40 5 JJBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000408563801 570202410 /nfs/dbraw/zinc/20/24/10/570202410.db2.gz QQCGDJMXXFKFLO-UHFFFAOYSA-N 0 0 466.302 4.955 40 5 JJBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000408564230 570202453 /nfs/dbraw/zinc/20/24/53/570202453.db2.gz UAHFUWCHWJCYEM-UHFFFAOYSA-N 0 0 466.302 4.955 40 5 JJBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OC)cc1 ZINC000408571012 570204596 /nfs/dbraw/zinc/20/45/96/570204596.db2.gz MSXHALUUQCFAMN-IBGZPJMESA-N 0 0 493.383 4.856 40 5 JJBBRN COc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1Br ZINC000408571796 570204815 /nfs/dbraw/zinc/20/48/15/570204815.db2.gz PNQRVPPRJNHKDN-KRWDZBQOSA-N 0 0 467.320 4.596 40 5 JJBBRN CCOc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1OC ZINC000408573946 570205318 /nfs/dbraw/zinc/20/53/18/570205318.db2.gz UFIBRFYUJBSUTE-LJQANCHMSA-N 0 0 493.383 4.856 40 5 JJBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)Cc2ccccc2Cl)cc1 ZINC000408585414 570207993 /nfs/dbraw/zinc/20/79/93/570207993.db2.gz DDHGRJCOWTVPNF-UHFFFAOYSA-N 0 0 487.965 4.695 40 5 JJBBRN CC(C)c1nc2sc3c(c2c(N2CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC2)n1)CC[C@@H](C)C3 ZINC000001357299 194101394 /nfs/dbraw/zinc/10/13/94/194101394.db2.gz BOQOVOOEZYRLGH-MRXNPFEDSA-N 0 0 479.606 4.810 40 5 JJBBRN COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000008832276 194486029 /nfs/dbraw/zinc/48/60/29/194486029.db2.gz CCMVMOFONKCTRM-FARCUNLSSA-N 0 0 456.090 4.780 40 5 JJBBRN O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000008833171 194487770 /nfs/dbraw/zinc/48/77/70/194487770.db2.gz OMHNUZKRJMPHCX-UHFFFAOYSA-N 0 0 473.986 4.575 40 5 JJBBRN O=C(C1=C2C(O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12)c1ccccc1 ZINC000009186543 194583439 /nfs/dbraw/zinc/58/34/39/194583439.db2.gz PKPFHGIUQUSLQN-CJRSTVEYSA-N 0 0 499.910 4.647 40 5 JJBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Cl)cc1Cl ZINC000009848750 194992805 /nfs/dbraw/zinc/99/28/05/194992805.db2.gz NYDSFYORSTZGIV-UHFFFAOYSA-N 0 0 452.323 4.911 40 5 JJBBRN O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc3nc(SCc4ccc([N+](=O)[O-])cc4)nn3cc21 ZINC000020632542 195191162 /nfs/dbraw/zinc/19/11/62/195191162.db2.gz WMRLSZDGMOULMJ-HNNXBMFYSA-N 0 0 465.922 4.891 40 5 JJBBRN O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc3nc(SCc4cccc([N+](=O)[O-])c4)nn3cc21 ZINC000020632599 195191526 /nfs/dbraw/zinc/19/15/26/195191526.db2.gz WNXWNZQLNHZPDI-HNNXBMFYSA-N 0 0 465.922 4.891 40 5 JJBBRN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000020970310 195257582 /nfs/dbraw/zinc/25/75/82/195257582.db2.gz IAADNGBGOUXMII-HSZRJFAPSA-N 0 0 455.474 4.881 40 5 JJBBRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3)CC2)cc1 ZINC000021124319 195280248 /nfs/dbraw/zinc/28/02/48/195280248.db2.gz SOXXLLZLWHZWIL-OVCLIPMQSA-N 0 0 484.556 4.772 40 5 JJBBRN Cc1c(C(=O)Nc2ccc(N3CCN(C(=O)c4cc5ccccc5o4)CC3)cc2)cccc1[N+](=O)[O-] ZINC000021576164 195315081 /nfs/dbraw/zinc/31/50/81/195315081.db2.gz ILJSUJZVUPQMMD-UHFFFAOYSA-N 0 0 484.512 4.864 40 5 JJBBRN O=C(Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000021576178 195315165 /nfs/dbraw/zinc/31/51/65/195315165.db2.gz FVLHSJYPHQBIBV-UHFFFAOYSA-N 0 0 470.485 4.556 40 5 JJBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1ccc(C)c(C)c1 ZINC000102921404 130393219 /nfs/dbraw/zinc/39/32/19/130393219.db2.gz UVARXPNATAVGGY-GKPLWNPISA-N 0 0 498.583 4.689 40 5 JJBBRN CC(=O)n1c(-c2ccc(Cl)cc2)nc2c1SC(c1cccc([N+](=O)[O-])c1)=NN2C(C)=O ZINC000016777771 518498405 /nfs/dbraw/zinc/49/84/05/518498405.db2.gz ABFLPHHDSFDTCG-UHFFFAOYSA-N 0 0 455.883 4.592 40 5 JJBBRN CCCC(=O)Oc1ccc(N(C(=O)CCC)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000009030661 519881296 /nfs/dbraw/zinc/88/12/96/519881296.db2.gz LOORODDBINGTHV-UHFFFAOYSA-N 0 0 484.530 4.976 40 5 JJBBRN CCCCCCNC(=S)Nc1cc([N+](=O)[O-])ccc1N(CCO)C(=S)NCCCCCC ZINC000016638104 520094217 /nfs/dbraw/zinc/09/42/17/520094217.db2.gz CJMBPYUFVXSRPR-UHFFFAOYSA-N 0 0 483.704 4.715 40 5 JJBBRN CCSc1ccccc1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000020043632 521775449 /nfs/dbraw/zinc/77/54/49/521775449.db2.gz GDJKQINXHZAJTB-UHFFFAOYSA-N 0 0 471.560 4.541 40 5 JJBBRN CCn1c(SCC(=O)Nc2c(C)cc(C)cc2[N+](=O)[O-])nnc1-c1ccc(Br)cc1 ZINC000019927713 523223107 /nfs/dbraw/zinc/22/31/07/523223107.db2.gz QRJYQICJCKBOOK-UHFFFAOYSA-N 0 0 490.383 4.983 40 5 JJBBRN COc1ccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1OC ZINC000006162839 523261496 /nfs/dbraw/zinc/26/14/96/523261496.db2.gz PPLDDEMBLVJQIC-UHFFFAOYSA-N 0 0 491.529 4.591 40 5 JJBBRN COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)n1Cc1ccco1 ZINC000013425374 524291796 /nfs/dbraw/zinc/29/17/96/524291796.db2.gz HECHVFQUHBWCSG-MRXNPFEDSA-N 0 0 493.545 4.931 40 5 JJBBRN Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000022706509 525048059 /nfs/dbraw/zinc/04/80/59/525048059.db2.gz PIXMBKCJDVISDJ-NTEUORMPSA-N 0 0 470.529 4.518 40 5 JJBBRN Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000006444217 525317795 /nfs/dbraw/zinc/31/77/95/525317795.db2.gz ZVPIXOCQXUMCON-UHFFFAOYSA-N 0 0 475.530 4.794 40 5 JJBBRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2Cl)cc1 ZINC000022533934 525602544 /nfs/dbraw/zinc/60/25/44/525602544.db2.gz LQLUENHCCZOJRR-UHFFFAOYSA-N 0 0 459.911 4.918 40 5 JJBBRN COc1ccc2c3nc(C(=O)NCc4cccs4)cc4c5ccccc5n(c43)c(=O)c2c1OC ZINC000008878017 525618498 /nfs/dbraw/zinc/61/84/98/525618498.db2.gz IZOPRIIMBSKCPN-UHFFFAOYSA-N 0 0 469.522 4.601 40 5 biogenic JJBBRN COc1cccc(CNC(=O)c2cc3c4ccccc4n4c3c(n2)c2ccc(OC)c(OC)c2c4=O)c1 ZINC000008877999 526002258 /nfs/dbraw/zinc/00/22/58/526002258.db2.gz CHYJHNOVSSWYRS-UHFFFAOYSA-N 0 0 493.519 4.548 40 5 biogenic JJBBRN Cc1ccc(C(=O)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3CSCN3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000020519127 526240760 /nfs/dbraw/zinc/24/07/60/526240760.db2.gz QPGZIVYPMJDZHQ-QRXMYIDTSA-N 0 0 485.565 4.722 40 5 JJBBRN O=C(C1=C2C(O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12)c1ccc(Cl)cc1 ZINC000034849571 526678655 /nfs/dbraw/zinc/67/86/55/526678655.db2.gz RCLIYRAWEGKYHJ-NEWJYFPISA-N 0 0 499.910 4.647 40 5 JJBBRN O=C(c1ccc(F)cc1)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000036311735 526691204 /nfs/dbraw/zinc/69/12/04/526691204.db2.gz KMUSJELYDWZHEY-ZGXDEKTJSA-N 0 0 489.528 4.553 40 5 JJBBRN O=C(c1ccccc1)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000020519242 526797238 /nfs/dbraw/zinc/79/72/38/526797238.db2.gz IQEGCBKLGKPGQO-OHTANWTRSA-N 0 0 489.528 4.553 40 5 JJBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000016384230 527606426 /nfs/dbraw/zinc/60/64/26/527606426.db2.gz HTOYHKSSMGZGDS-QHHAFSJGSA-N 0 0 455.820 4.756 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccccc2)n1-c1ccccc1 ZINC000000915374 553845346 /nfs/dbraw/zinc/84/53/46/553845346.db2.gz UAEXPTCBIKTNQT-UHFFFAOYSA-N 0 0 475.530 4.794 40 5 JJBBRN O=c1c2ccccc2nc(-c2ccccc2)n1NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000005845433 554494928 /nfs/dbraw/zinc/49/49/28/554494928.db2.gz KLKOXOPIHWLRCF-UHFFFAOYSA-N 0 0 451.895 4.566 40 5 JJBBRN COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1-c1ccccc1 ZINC000006177092 554514667 /nfs/dbraw/zinc/51/46/67/554514667.db2.gz ZNLHMHHKXKHTEB-UHFFFAOYSA-N 0 0 461.503 4.582 40 5 JJBBRN Cc1ccc(-n2c(CNc3ccc(F)cc3)nnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000006280079 554524267 /nfs/dbraw/zinc/52/42/67/554524267.db2.gz LGJWLQYWWSUMCV-UHFFFAOYSA-N 0 0 492.536 4.966 40 5 JJBBRN Cc1nc2ccc(Cc3ccc4c(c3)C(=O)O[C@@H](/C=C/c3ccc([N+](=O)[O-])cc3)N4)cc2c(=O)o1 ZINC000006444306 554538603 /nfs/dbraw/zinc/53/86/03/554538603.db2.gz KWAKVDKPEILIJD-YDSNZTKKSA-N 0 0 469.453 4.617 40 5 JJBBRN CC1CCN(c2ccc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000008832671 554727555 /nfs/dbraw/zinc/72/75/55/554727555.db2.gz LDTCFLIPXUSDGM-UHFFFAOYSA-N 0 0 458.946 4.573 40 5 JJBBRN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000008835716 554735024 /nfs/dbraw/zinc/73/50/24/554735024.db2.gz OIROPZHAKPAKRA-UHFFFAOYSA-N 0 0 489.985 4.714 40 5 JJBBRN CCCCCCNC(=O)c1cc2c3ccccc3n3c2c(n1)c1ccc(OC)c(OC)c1c3=O ZINC000008879036 554774480 /nfs/dbraw/zinc/77/44/80/554774480.db2.gz NWZRZMOINMTBFO-UHFFFAOYSA-N 0 0 457.530 4.919 40 5 biogenic JJBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2NC(=O)c2ccccc2)o1 ZINC000009010509 554863863 /nfs/dbraw/zinc/86/38/63/554863863.db2.gz ZEJLZICEGFJMEY-UHFFFAOYSA-N 0 0 489.513 4.936 40 5 JJBBRN O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000009062191 554879494 /nfs/dbraw/zinc/87/94/94/554879494.db2.gz UDKJUCBHLMCTBZ-UHFFFAOYSA-N 0 0 490.457 4.526 40 5 JJBBRN O=C(Cc1ccccc1)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000009062462 554879842 /nfs/dbraw/zinc/87/98/42/554879842.db2.gz VJUOAZRWZJRQPQ-UHFFFAOYSA-N 0 0 459.487 4.547 40 5 JJBBRN O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000013424176 555398163 /nfs/dbraw/zinc/39/81/63/555398163.db2.gz LMQHVEXYPRMMIL-UHFFFAOYSA-N 0 0 459.531 4.556 40 5 JJBBRN COC(=O)c1c(C)c(C(=O)Nc2cccc(C)c2C)sc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013424270 555398457 /nfs/dbraw/zinc/39/84/57/555398457.db2.gz VVRIJSAHBWLVMM-UHFFFAOYSA-N 0 0 467.503 4.873 40 5 JJBBRN O=C(CSc1n[nH]c(-c2ccc(Br)cc2)n1)c1cc([N+](=O)[O-])ccc1Br ZINC000019927301 555542310 /nfs/dbraw/zinc/54/23/10/555542310.db2.gz ONQOXXAKAQDFHC-UHFFFAOYSA-N 0 0 498.156 4.880 40 5 JJBBRN CCCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc([N+](=O)[O-])c4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000013686922 555580461 /nfs/dbraw/zinc/58/04/61/555580461.db2.gz PAKCWQZRQFKPKC-DSITVLBTSA-N 0 0 487.512 4.825 40 5 JJBBRN O=[N+]([O-])c1ccc(N2CCN([C@@H](c3nnnn3C3CCCCC3)c3ccc4ncccc4c3)CC2)cc1 ZINC000020098390 555633093 /nfs/dbraw/zinc/63/30/93/555633093.db2.gz UCBNMBXVWIHEHG-AREMUKBSSA-N 0 0 498.591 4.546 40 5 JJBBRN COc1ccc(-c2ccc(C(=O)Nc3ccc(OC)c(-c4ccc(CO)o4)c3)o2)c([N+](=O)[O-])c1 ZINC000020140688 555663304 /nfs/dbraw/zinc/66/33/04/555663304.db2.gz DJXJJXWMUIEIST-UHFFFAOYSA-N 0 0 464.430 4.877 40 5 JJBBRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000020153069 555671602 /nfs/dbraw/zinc/67/16/02/555671602.db2.gz XXIWYMKOZSSMTF-UHFFFAOYSA-N 0 0 494.573 4.773 40 5 JJBBRN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000014030094 555674377 /nfs/dbraw/zinc/67/43/77/555674377.db2.gz WAKDQZGHDLLQQW-UHFFFAOYSA-N 0 0 452.330 4.663 40 5 JJBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cc(Cl)ccc1OC ZINC000014084781 555683948 /nfs/dbraw/zinc/68/39/48/555683948.db2.gz VJJBBPMRYFHUMZ-UHFFFAOYSA-N 0 0 482.349 4.919 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000020244225 555740384 /nfs/dbraw/zinc/74/03/84/555740384.db2.gz HPIFTYQYGYICDS-RUZDIDTESA-N 0 0 461.543 4.972 40 5 JJBBRN Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000014269259 555758205 /nfs/dbraw/zinc/75/82/05/555758205.db2.gz BXGPOXPLSXNJJS-UHFFFAOYSA-N 0 0 459.483 4.803 40 5 JJBBRN CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000014269556 555759441 /nfs/dbraw/zinc/75/94/41/555759441.db2.gz QSUWQUHLACCXQH-HNNXBMFYSA-N 0 0 456.568 4.931 40 5 JJBBRN CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000014270390 555762535 /nfs/dbraw/zinc/76/25/35/555762535.db2.gz XRWXYFZTOPSXDB-UHFFFAOYSA-N 0 0 452.330 4.519 40 5 JJBBRN Cc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4ccccc4s3)cc2)cc1[N+](=O)[O-] ZINC000014270505 555762764 /nfs/dbraw/zinc/76/27/64/555762764.db2.gz BAXLTMNJMZPZRQ-UHFFFAOYSA-N 0 0 462.556 4.984 40 5 JJBBRN O=C(c1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000014271925 555768229 /nfs/dbraw/zinc/76/82/29/555768229.db2.gz QATVSKRJDLXTMR-UHFFFAOYSA-N 0 0 467.350 4.513 40 5 JJBBRN O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014272592 555770502 /nfs/dbraw/zinc/77/05/02/555770502.db2.gz XOUHRQJOQPCPDL-UHFFFAOYSA-N 0 0 462.437 4.631 40 5 JJBBRN COc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3cc4ccccc4o3)c2)cc1[N+](=O)[O-] ZINC000014273882 555774856 /nfs/dbraw/zinc/77/48/56/555774856.db2.gz AJVVWBFXMCYTRM-UHFFFAOYSA-N 0 0 490.497 4.729 40 5 JJBBRN COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1cc2ccccc2c(Br)c1OC ZINC000014274828 555778125 /nfs/dbraw/zinc/77/81/25/555778125.db2.gz BJFSPSUEAFHQAE-UHFFFAOYSA-N 0 0 490.335 4.655 40 5 JJBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000014275940 555782328 /nfs/dbraw/zinc/78/23/28/555782328.db2.gz ZZLATTUEOGNEKU-UHFFFAOYSA-N 0 0 477.930 4.582 40 5 JJBBRN COc1cc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1Cl ZINC000014276089 555782891 /nfs/dbraw/zinc/78/28/91/555782891.db2.gz OIXVWQJEEJUVGG-UHFFFAOYSA-N 0 0 498.948 4.944 40 5 JJBBRN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000014277381 555785664 /nfs/dbraw/zinc/78/56/64/555785664.db2.gz YLFVEGSGLHUXGD-UHFFFAOYSA-N 0 0 487.000 4.745 40 5 JJBBRN O=C(Nc1ccc2nn(-c3cccc4ccccc43)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014278446 555788556 /nfs/dbraw/zinc/78/85/56/555788556.db2.gz YNAPNZWVVHXULQ-UHFFFAOYSA-N 0 0 494.511 4.571 40 5 JJBBRN O=C(Nc1cccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1)c1cccc(Cl)c1 ZINC000014278899 555789946 /nfs/dbraw/zinc/78/99/46/555789946.db2.gz ZATSCQRFUHWCKX-UHFFFAOYSA-N 0 0 480.908 4.589 40 5 JJBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cccc(-c2nn3cnnc3s2)c1 ZINC000020528827 555793264 /nfs/dbraw/zinc/79/32/64/555793264.db2.gz OVVOLDICDGOMOE-PKNBQFBNSA-N 0 0 458.459 4.673 40 5 JJBBRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)CC2)cc1 ZINC000020528953 555793547 /nfs/dbraw/zinc/79/35/47/555793547.db2.gz RAESFPXZHUZAFG-UHFFFAOYSA-N 0 0 472.545 4.680 40 5 JJBBRN Cc1cc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000020529142 555794120 /nfs/dbraw/zinc/79/41/20/555794120.db2.gz IXVUVPLQIYSUFV-UHFFFAOYSA-N 0 0 458.946 4.504 40 5 JJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)cc1C ZINC000014831561 555840365 /nfs/dbraw/zinc/84/03/65/555840365.db2.gz DIZJMHQTXQOYDN-NTUHNPAUSA-N 0 0 451.504 4.664 40 5 JJBBRN COc1cccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)c1 ZINC000021579265 555851912 /nfs/dbraw/zinc/85/19/12/555851912.db2.gz BHOAZPCPSOKDMB-UHFFFAOYSA-N 0 0 474.473 4.501 40 5 JJBBRN CC[C@H](C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000022257379 555905303 /nfs/dbraw/zinc/90/53/03/555905303.db2.gz SMKYREVIGBBHPJ-HNNXBMFYSA-N 0 0 458.902 4.813 40 5 JJBBRN CC(C)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000022278861 555916723 /nfs/dbraw/zinc/91/67/23/555916723.db2.gz YAMWOYURHQISHJ-UHFFFAOYSA-N 0 0 453.520 4.552 40 5 JJBBRN Cc1ccccc1-c1nc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)ccc2o1 ZINC000022565004 555935614 /nfs/dbraw/zinc/93/56/14/555935614.db2.gz BIBOCLLSPMRPRQ-UHFFFAOYSA-N 0 0 458.474 4.800 40 5 JJBBRN O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000022746304 555951107 /nfs/dbraw/zinc/95/11/07/555951107.db2.gz XHFVGUNYWSJBKT-UHFFFAOYSA-N 0 0 488.491 4.604 40 5 JJBBRN COc1ccc(S(=O)(=O)c2c(C)c(NC(=O)c3cccc([N+](=O)[O-])c3)cc(C(C)C)c2O)cc1 ZINC000026787015 556263335 /nfs/dbraw/zinc/26/33/35/556263335.db2.gz ACLQVLYUHQOMTD-UHFFFAOYSA-N 0 0 484.530 4.826 40 5 JJBBRN COc1ccc2nc3sc4c(ncnc4SCC(=O)NCc4cccs4)c3cc2c1 ZINC000013086123 556285601 /nfs/dbraw/zinc/28/56/01/556285601.db2.gz CLODRDLBNIZYOQ-UHFFFAOYSA-N 0 0 452.586 4.871 40 5 JJBBRN O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000032124979 556428284 /nfs/dbraw/zinc/42/82/84/556428284.db2.gz LDZDJEBKBITGNR-IUXPMGMMSA-N 0 0 468.915 4.708 40 5 JJBBRN Cc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nn12 ZINC000032126221 556430074 /nfs/dbraw/zinc/43/00/74/556430074.db2.gz UVSJZKKSPNWNIE-UHFFFAOYSA-N 0 0 460.475 4.890 40 5 JJBBRN Cc1ccc(-c2nc(NC(=O)COc3ccccc3[N+](=O)[O-])sc2NC(=O)c2ccco2)cc1 ZINC000032624619 556454582 /nfs/dbraw/zinc/45/45/82/556454582.db2.gz IDRXIRUHEVEEJV-UHFFFAOYSA-N 0 0 478.486 4.890 40 5 JJBBRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)CC1 ZINC000057316849 569598142 /nfs/dbraw/zinc/59/81/42/569598142.db2.gz FXNBAGLNEVZYSW-UHFFFAOYSA-N 0 0 493.608 4.532 40 5 JJBBRN O=C1[C@H]2[C@H](C(=O)N1c1cc(Cl)ccc1Cl)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000059503341 569606401 /nfs/dbraw/zinc/60/64/01/569606401.db2.gz GULXCRZCHVOWIN-YQORSWRPSA-N 0 0 465.292 4.778 40 5 JJBBRN CCN1CCN(c2cc(NC(=O)c3cc(Cl)ccc3Cl)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229372 569700646 /nfs/dbraw/zinc/70/06/46/569700646.db2.gz XSQFYXFPNXNTIJ-UHFFFAOYSA-N 0 0 457.745 4.949 40 5 JJBBRN Cc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000097955201 569747669 /nfs/dbraw/zinc/74/76/69/569747669.db2.gz BZPAHXGGPZOEPF-ZLNRFVROSA-N 0 0 477.904 4.916 40 5 JJBBRN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Oc2cc(O)c3c(c2)oc2ccccc2c3=O)CC1 ZINC000101375788 569795228 /nfs/dbraw/zinc/79/52/28/569795228.db2.gz IOAFVJOKCOOQCZ-IYBDPMFKSA-N 0 0 467.518 4.888 40 5 JJBBRN O=C1CCc2ccc(OCCCC[N+]3([O-])CCN(c4cccc(Cl)c4Cl)CC3)cc2N1 ZINC000038461207 569801394 /nfs/dbraw/zinc/80/13/94/569801394.db2.gz ZNYNDJDSFMRJPS-UHFFFAOYSA-N 0 0 464.393 4.872 40 5 in-vitro JJBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 ZINC000039756237 569811469 /nfs/dbraw/zinc/81/14/69/569811469.db2.gz QAJUVKHRYXGHOS-UHFFFAOYSA-N 0 0 463.837 4.803 40 5 JJBBRN O=C1[C@@H]2[C@H](c3cccc4ccccc43)N(c3ccccc3)O[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000102707374 569816547 /nfs/dbraw/zinc/81/65/47/569816547.db2.gz XDGUDTSUVLEHAK-DSITVLBTSA-N 0 0 465.465 4.799 40 5 JJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1ccc(F)cc1F ZINC000108917698 569859846 /nfs/dbraw/zinc/85/98/46/569859846.db2.gz LGXFATSUJHVIQH-VXLYETTFSA-N 0 0 485.424 4.808 40 5 JJBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21 ZINC000138753150 569866360 /nfs/dbraw/zinc/86/63/60/569866360.db2.gz GERCOACNCQBUDN-JOTOCRJQSA-N 0 0 488.327 4.656 40 5 JJBBRN Cc1cccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000138961569 569866784 /nfs/dbraw/zinc/86/67/84/569866784.db2.gz FXMOEIMFWPODKK-UHFFFAOYSA-N 0 0 491.500 4.986 40 5 JJBBRN O=C(N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nccs1)C(c1ccccc1)c1ccccc1 ZINC000197559004 569873698 /nfs/dbraw/zinc/87/36/98/569873698.db2.gz XJEAXUSHZMIWKR-JOCHJYFZSA-N 0 0 486.553 4.549 40 5 JJBBRN CCOc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000205698483 569874203 /nfs/dbraw/zinc/87/42/03/569874203.db2.gz IZQOVGSKXSTLEQ-LICLKQGHSA-N 0 0 463.309 4.993 40 5 JJBBRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222566299 569885922 /nfs/dbraw/zinc/88/59/22/569885922.db2.gz AGTYTJNLJDVIRE-CVDCTZTESA-N 0 0 471.623 4.593 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223263908 569905382 /nfs/dbraw/zinc/90/53/82/569905382.db2.gz SGFIMUXIYPDSIZ-RLWLMLJZSA-N 0 0 473.573 4.692 40 5 JJBBRN Cc1cc(C)c([C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1C ZINC000223408065 569910227 /nfs/dbraw/zinc/91/02/27/569910227.db2.gz HSJOSDREIKFGLT-FQEVSTJZSA-N 0 0 481.574 4.593 40 5 JJBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)o2)cc1 ZINC000223482029 569912849 /nfs/dbraw/zinc/91/28/49/569912849.db2.gz ZNHSWNBXQMAYGM-PKTZIBPZSA-N 0 0 457.515 4.818 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)o1 ZINC000223516306 569914271 /nfs/dbraw/zinc/91/42/71/569914271.db2.gz SOLCQEIMPBLNPH-BJKOFHAPSA-N 0 0 487.541 4.826 40 5 JJBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)o1 ZINC000223552680 569915714 /nfs/dbraw/zinc/91/57/14/569915714.db2.gz WVOYAYBDFLCEAE-GOTSBHOMSA-N 0 0 457.515 4.818 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)o1 ZINC000223557069 569915884 /nfs/dbraw/zinc/91/58/84/569915884.db2.gz GMUUXAPFRAXYGO-ZEQRLZLVSA-N 0 0 487.541 4.826 40 5 JJBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223563659 569916263 /nfs/dbraw/zinc/91/62/63/569916263.db2.gz CLSIITXIHOLXHI-JOCHJYFZSA-N 0 0 457.596 4.552 40 5 JJBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223588012 569917068 /nfs/dbraw/zinc/91/70/68/569917068.db2.gz SXHQDSBWRYRQIO-JOCHJYFZSA-N 0 0 487.622 4.559 40 5 JJBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223610713 569917896 /nfs/dbraw/zinc/91/78/96/569917896.db2.gz BPCBOTCDZSKZCU-HSZRJFAPSA-N 0 0 471.623 4.860 40 5 JJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223676848 569919711 /nfs/dbraw/zinc/91/97/11/569919711.db2.gz INSRRXXXKVYATR-QFIPXVFZSA-N 0 0 471.623 4.593 40 5 JJBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000223772771 569922800 /nfs/dbraw/zinc/92/28/00/569922800.db2.gz BTEFPWHNVSHJBB-RPWUZVMVSA-N 0 0 471.542 4.966 40 5 JJBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1 ZINC000223870308 569925716 /nfs/dbraw/zinc/92/57/16/569925716.db2.gz XDQIFGTVSVDHSN-PKTZIBPZSA-N 0 0 457.515 4.663 40 5 JJBBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000223986919 569929573 /nfs/dbraw/zinc/92/95/73/569929573.db2.gz JOZJHZXSZYEJLJ-LOSJGSFVSA-N 0 0 498.568 4.916 40 5 JJBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224202184 569936342 /nfs/dbraw/zinc/93/63/42/569936342.db2.gz PJCCDPZYBUXMOH-VWLOTQADSA-N 0 0 493.991 4.957 40 5 JJBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1 ZINC000224614255 569950794 /nfs/dbraw/zinc/95/07/94/569950794.db2.gz KTWCBYQYVOWVOS-GOTSBHOMSA-N 0 0 457.515 4.663 40 5 JJBBRN Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](Cc1ccccc1)C(=O)NC(C)C ZINC000224769574 569956833 /nfs/dbraw/zinc/95/68/33/569956833.db2.gz SWJVGLWNKPUCMT-SANMLTNESA-N 0 0 473.573 4.610 40 5 JJBBRN Cc1c(N(CCCC(=O)Nc2ccc3c(c2)oc2ccccc23)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000224861604 569960583 /nfs/dbraw/zinc/96/05/83/569960583.db2.gz WTMUDXRTNAYPDL-UHFFFAOYSA-N 0 0 481.530 4.988 40 5 JJBBRN COc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)NC2CCCCC2)c1 ZINC000224932710 569963893 /nfs/dbraw/zinc/96/38/93/569963893.db2.gz KTGUFMAZXRYBCQ-LJQANCHMSA-N 0 0 499.633 4.703 40 5 JJBBRN CS(=O)(=O)N(Cc1ccc(C(=O)NCC2CCCCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000224938932 569964174 /nfs/dbraw/zinc/96/41/74/569964174.db2.gz JILZUZGGWUKMLF-UHFFFAOYSA-N 0 0 479.986 4.525 40 5 JJBBRN CCOC(=O)c1c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000408600070 569968450 /nfs/dbraw/zinc/96/84/50/569968450.db2.gz STNMTPIZHFFJOS-OAHLLOKOSA-N 0 0 488.562 4.780 40 5 JJBBRN CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)N(CC)c1ccccc1 ZINC000408606152 569971132 /nfs/dbraw/zinc/97/11/32/569971132.db2.gz OWKAFCMMNJEDMR-WYMLVPIESA-N 0 0 451.479 4.892 40 5 JJBBRN Cc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000408608378 569971731 /nfs/dbraw/zinc/97/17/31/569971731.db2.gz PIIZKWSKROAMKA-UHFFFAOYSA-N 0 0 459.911 4.918 40 5 JJBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225094041 569974686 /nfs/dbraw/zinc/97/46/86/569974686.db2.gz WUNMDSMFOAVVRD-HSZRJFAPSA-N 0 0 497.592 4.547 40 5 JJBBRN O=C1[C@@H]2[C@H](C(=O)N1c1cccc(Cl)c1Cl)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000408623626 569979326 /nfs/dbraw/zinc/97/93/26/569979326.db2.gz RIVPLFWAMZGSRH-QFKVYABISA-N 0 0 465.292 4.778 40 5 JJBBRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225195665 569981739 /nfs/dbraw/zinc/98/17/39/569981739.db2.gz POBWUHGNRHOQPK-NRFANRHFSA-N 0 0 478.014 4.815 40 5 JJBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225283173 569988138 /nfs/dbraw/zinc/98/81/38/569988138.db2.gz HECFJOPJZUHPAD-LJQANCHMSA-N 0 0 466.365 4.778 40 5 JJBBRN Cc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)CC3=O)cc2)cc1C ZINC000408639792 569988524 /nfs/dbraw/zinc/98/85/24/569988524.db2.gz ZNGUPCNERJGYAR-HXUWFJFHSA-N 0 0 488.496 4.783 40 5 JJBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225309979 569989672 /nfs/dbraw/zinc/98/96/72/569989672.db2.gz KFRIFIRXNJFDQW-LJQANCHMSA-N 0 0 466.365 4.778 40 5 JJBBRN Cc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C2)cc1C ZINC000408651647 569994400 /nfs/dbraw/zinc/99/44/00/569994400.db2.gz NRMBJCHUGNGUAP-JOCHJYFZSA-N 0 0 472.497 4.658 40 5 JJBBRN Cc1cccc(C)c1N(Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1)S(C)(=O)=O ZINC000225445615 569997188 /nfs/dbraw/zinc/99/71/88/569997188.db2.gz QHXNEXIUVNXHOH-UHFFFAOYSA-N 0 0 467.547 4.739 40 5 JJBBRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1C ZINC000408657530 569998316 /nfs/dbraw/zinc/99/83/16/569998316.db2.gz UMCNIDMXFXSAOE-HXUWFJFHSA-N 0 0 488.496 4.783 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408661596 570001045 /nfs/dbraw/zinc/00/10/45/570001045.db2.gz RAYMEGUYZNCKGJ-SKGAXEKPSA-N 0 0 495.318 4.701 40 5 JJBBRN O=C(CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1 ZINC000225514552 570001510 /nfs/dbraw/zinc/00/15/10/570001510.db2.gz AUQLKGPYJMJACC-RPBOFIJWSA-N 0 0 499.552 4.861 40 5 JJBBRN O=C(CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1 ZINC000225519504 570001997 /nfs/dbraw/zinc/00/19/97/570001997.db2.gz SRVCBDYTMLGKRZ-RPBOFIJWSA-N 0 0 499.552 4.861 40 5 JJBBRN O=C(CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1 ZINC000225519691 570002008 /nfs/dbraw/zinc/00/20/08/570002008.db2.gz VEGBZWJTCVBRSJ-LOSJGSFVSA-N 0 0 499.552 4.861 40 5 JJBBRN O=C(COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1)N1CCCCC1 ZINC000225536655 570003613 /nfs/dbraw/zinc/00/36/13/570003613.db2.gz VNTWQCMPJIROGZ-UHFFFAOYSA-N 0 0 465.550 4.827 40 5 JJBBRN Cc1ccccc1Oc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000408665459 570003962 /nfs/dbraw/zinc/00/39/62/570003962.db2.gz FKEOEFCTVSBRMH-UHFFFAOYSA-N 0 0 491.500 4.905 40 5 JJBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225558273 570005547 /nfs/dbraw/zinc/00/55/47/570005547.db2.gz KQNDWEQZPWEGGW-CVDCTZTESA-N 0 0 471.623 4.859 40 5 JJBBRN CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000408682111 570012770 /nfs/dbraw/zinc/01/27/70/570012770.db2.gz IVUPDHHWORSRSH-RBUKOAKNSA-N 0 0 488.327 4.800 40 5 JJBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000408683233 570013203 /nfs/dbraw/zinc/01/32/03/570013203.db2.gz KWQZUMSJRPAKSL-IRXDYDNUSA-N 0 0 476.316 4.634 40 5 JJBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000408683543 570013305 /nfs/dbraw/zinc/01/33/05/570013305.db2.gz LNWCSNXDMKNCPP-HUUCEWRRSA-N 0 0 476.316 4.634 40 5 JJBBRN O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000408685206 570013748 /nfs/dbraw/zinc/01/37/48/570013748.db2.gz OZCOMXRRQLBKLS-UHFFFAOYSA-N 0 0 470.268 4.755 40 5 JJBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)n(-c2ccc(F)cc2)n1 ZINC000408696328 570018536 /nfs/dbraw/zinc/01/85/36/570018536.db2.gz ZTMDHLUVORCGRO-UHFFFAOYSA-N 0 0 482.269 4.996 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225751492 570019989 /nfs/dbraw/zinc/01/99/89/570019989.db2.gz HTQWHCYTYLPBKV-WZONZLPQSA-N 0 0 487.622 4.559 40 5 JJBBRN Cc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c1 ZINC000408781673 570041669 /nfs/dbraw/zinc/04/16/69/570041669.db2.gz FAABTTYMQAKPPT-RISWYLRJSA-N 0 0 479.561 4.535 40 5 JJBBRN CCOc1cc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408848014 570054912 /nfs/dbraw/zinc/05/49/12/570054912.db2.gz WNWACVUKNMRZKR-KGENOOAVSA-N 0 0 472.453 4.866 40 5 JJBBRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000408907784 570071302 /nfs/dbraw/zinc/07/13/02/570071302.db2.gz RPRTYHIGDUQXIK-UHFFFAOYSA-N 0 0 465.409 4.667 40 5 JJBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-])C1(Cl)c3ccccc3C2c2ccccc21 ZINC000408918103 570076052 /nfs/dbraw/zinc/07/60/52/570076052.db2.gz GDSJCFRXKMWSCH-ZRDDSIGQSA-N 0 0 465.292 4.995 40 5 JJBBRN Cc1cc([N+](=O)[O-])c(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3(Cl)c3ccccc32)cc1C ZINC000408919165 570076526 /nfs/dbraw/zinc/07/65/26/570076526.db2.gz UGWFJSCYEIRFMG-FGEXJBCWSA-N 0 0 458.901 4.959 40 5 JJBBRN Cc1cc([N+](=O)[O-])c(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3c3ccccc32)cc1C ZINC000408919168 570076533 /nfs/dbraw/zinc/07/65/33/570076533.db2.gz UGWFJSCYEIRFMG-ZQFKLAOWSA-N 0 0 458.901 4.959 40 5 JJBBRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000408924568 570078207 /nfs/dbraw/zinc/07/82/07/570078207.db2.gz KBLPLSGJXDJGNO-UHFFFAOYSA-N 0 0 459.911 4.918 40 5 JJBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)c1 ZINC000408933113 570080682 /nfs/dbraw/zinc/08/06/82/570080682.db2.gz HPLQEFYVHBPEGM-UDWIEESQSA-N 0 0 463.471 4.838 40 5 JJBBRN O=C1[C@@H]2[C@@H](C(=O)N1N/C=C/c1cc([N+](=O)[O-])ccc1Cl)C1c3ccccc3C2c2ccccc21 ZINC000408964607 570086976 /nfs/dbraw/zinc/08/69/76/570086976.db2.gz DUPBRNAODYJFBU-HSWYMVSQSA-N 0 0 471.900 4.616 40 5 JJBBRN Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)Nc2cc(C)c(C)c([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000408977024 570090096 /nfs/dbraw/zinc/09/00/96/570090096.db2.gz CDWVREHYGMGRJA-QFIPXVFZSA-N 0 0 467.547 4.568 40 5 JJBBRN CCOc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000408990042 570093650 /nfs/dbraw/zinc/09/36/50/570093650.db2.gz WABYCYQRSNXAJV-BKUYFWCQSA-N 0 0 472.453 4.866 40 5 JJBBRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409058137 570112829 /nfs/dbraw/zinc/11/28/29/570112829.db2.gz ILMUQSYUBOOGDP-UHFFFAOYSA-N 0 0 451.504 4.805 40 5 JJBBRN CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000409085732 570123043 /nfs/dbraw/zinc/12/30/43/570123043.db2.gz ZUKBDCCFIBVUOH-JCMHNJIXSA-N 0 0 451.548 4.906 40 5 JJBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C1=O ZINC000409094925 570126253 /nfs/dbraw/zinc/12/62/53/570126253.db2.gz GJQBLQSBHYEQIH-NSMHLIOHSA-N 0 0 492.509 4.925 40 5 JJBBRN CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409139117 570143760 /nfs/dbraw/zinc/14/37/60/570143760.db2.gz MQPLCMAUOBWADY-XDHOZWIPSA-N 0 0 492.937 4.909 40 5 JJBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000409145446 570146619 /nfs/dbraw/zinc/14/66/19/570146619.db2.gz QGKWXAZPSBIRKZ-XMMPIXPASA-N 0 0 463.515 4.630 40 5 JJBBRN CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409147861 570147875 /nfs/dbraw/zinc/14/78/75/570147875.db2.gz WQWKCSXANTUQSK-UHFFFAOYSA-N 0 0 452.323 4.911 40 5 JJBBRN Cc1ccc(OCc2nn(CC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)c(=S)o2)cc1 ZINC000409153233 570149779 /nfs/dbraw/zinc/14/97/79/570149779.db2.gz MAXYQSLBBRBRHX-UHFFFAOYSA-N 0 0 483.531 4.763 40 5 JJBBRN Cc1ccc(-c2nnc(SCC(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)n2C)cc1 ZINC000409164287 570152897 /nfs/dbraw/zinc/15/28/97/570152897.db2.gz GCJYHEZYFBKZMR-UHFFFAOYSA-N 0 0 480.575 4.861 40 5 JJBBRN CC(C)c1ccccc1NC(=O)CSc1n[nH]c([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 ZINC000409171349 570155000 /nfs/dbraw/zinc/15/50/00/570155000.db2.gz ZNPBRFCFOXYHFE-NRFANRHFSA-N 0 0 496.593 4.694 40 5 JJBBRN O=C(COC(=O)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1cccc2ccccc21 ZINC000409176676 570157189 /nfs/dbraw/zinc/15/71/89/570157189.db2.gz USEQKXGLAOMXQY-UHFFFAOYSA-N 0 0 480.432 4.588 40 5 JJBBRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000409177175 570157369 /nfs/dbraw/zinc/15/73/69/570157369.db2.gz CUIXLUDSOIFVMY-UHFFFAOYSA-N 0 0 459.911 4.539 40 5 JJBBRN COc1cc(NC(C)=O)c(Cl)cc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000409177973 570157831 /nfs/dbraw/zinc/15/78/31/570157831.db2.gz HXXRRHYMHPHGEH-HSZRJFAPSA-N 0 0 482.876 4.996 40 5 JJBBRN COc1cc(NC(C)=O)c(Cl)cc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000409177974 570157839 /nfs/dbraw/zinc/15/78/39/570157839.db2.gz HXXRRHYMHPHGEH-QHCPKHFHSA-N 0 0 482.876 4.996 40 5 JJBBRN O=C(COC(=O)c1ccc(COc2ccc(Br)cc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000409179970 570158648 /nfs/dbraw/zinc/15/86/48/570158648.db2.gz REXYUEWZEUIDGT-UHFFFAOYSA-N 0 0 470.275 4.976 40 5 JJBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409182184 570159702 /nfs/dbraw/zinc/15/97/02/570159702.db2.gz JACPMZRRHMUTCR-UHFFFAOYSA-N 0 0 455.404 4.919 40 5 JJBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409199328 570164606 /nfs/dbraw/zinc/16/46/06/570164606.db2.gz BZRVSLJFWURFPS-DKNZLLBESA-N 0 0 470.503 4.552 40 5 JJBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O ZINC000409203474 570166364 /nfs/dbraw/zinc/16/63/64/570166364.db2.gz YEMLFBPBXWVCGW-DEDYPNTBSA-N 0 0 470.503 4.553 40 5 JJBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O ZINC000409207909 570167922 /nfs/dbraw/zinc/16/79/22/570167922.db2.gz CLHUPRJYKFUUGI-DTQASYIRSA-N 0 0 464.883 4.886 40 5 JJBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O ZINC000409212509 570170540 /nfs/dbraw/zinc/17/05/40/570170540.db2.gz MUTLULFSNFFPFE-LBFZPMSMSA-N 0 0 464.883 4.886 40 5 JJBBRN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409224433 570175533 /nfs/dbraw/zinc/17/55/33/570175533.db2.gz LKIPAFURHDSVNZ-UUASQNMZSA-N 0 0 470.265 4.716 40 5 JJBBRN O=C(CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C1=O)Nc1ccccc1Cl ZINC000409224900 570175686 /nfs/dbraw/zinc/17/56/86/570175686.db2.gz JCEYPJQQMJYKOM-OVCLIPMQSA-N 0 0 452.275 4.577 40 5 JJBBRN CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C1=O ZINC000409236861 570180186 /nfs/dbraw/zinc/18/01/86/570180186.db2.gz GKJADNAIDLDQKK-WOJGMQOQSA-N 0 0 459.886 4.529 40 5 JJBBRN Cc1ccc(CN2C(=O)N/C(=C/c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C2=O)cc1 ZINC000409239188 570181182 /nfs/dbraw/zinc/18/11/82/570181182.db2.gz OTPBCLNDWZCUOC-ZVHZXABRSA-N 0 0 466.497 4.999 40 5 JJBBRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329016830 570181832 /nfs/dbraw/zinc/18/18/32/570181832.db2.gz NIEYZLZXUVRGCA-SFHVURJKSA-N 0 0 495.433 5.262 40 5 JJBBRN O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408528748 570186999 /nfs/dbraw/zinc/18/69/99/570186999.db2.gz KTBXWSWTBOMKQY-UHFFFAOYSA-N 0 0 458.386 4.972 40 5 JJBBRN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408550727 570194979 /nfs/dbraw/zinc/19/49/79/570194979.db2.gz GYKIOFNMFCULPU-UHFFFAOYSA-N 0 0 475.910 4.618 40 5 JJBBRN CCOc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408557031 570197895 /nfs/dbraw/zinc/19/78/95/570197895.db2.gz KMGITWPNLGFXTG-UHFFFAOYSA-N 0 0 475.910 4.700 40 5 JJBBRN CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(CC)c1-c1ccc(F)cc1 ZINC000408559648 570199881 /nfs/dbraw/zinc/19/98/81/570199881.db2.gz AOPDSODLDSWKAL-LNVKXUELSA-N 0 0 458.471 4.886 40 5 JJBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cccc(C)c2C)cc1 ZINC000409323318 570201604 /nfs/dbraw/zinc/20/16/04/570201604.db2.gz NLVOZYDEPGWIIA-UHFFFAOYSA-N 0 0 467.547 4.662 40 5 JJBBRN CCOc1c(Br)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1OC ZINC000408565961 570203599 /nfs/dbraw/zinc/20/35/99/570203599.db2.gz DKRYPRDOXWYZNV-SFHVURJKSA-N 0 0 493.383 4.856 40 5 JJBBRN CN1C[C@H](c2ccc(OCc3cccc(F)c3)c(Cl)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408569364 570204368 /nfs/dbraw/zinc/20/43/68/570204368.db2.gz VYXSHYYRQOVGKY-MQVPCNEGSA-N 0 0 481.911 4.580 40 5 JJBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000408575761 570205764 /nfs/dbraw/zinc/20/57/64/570205764.db2.gz QMKGUOBEQDNHGA-UHFFFAOYSA-N 0 0 466.302 4.955 40 5 JJBBRN Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cc1 ZINC000408584106 570207476 /nfs/dbraw/zinc/20/74/76/570207476.db2.gz LQAJFJWLJLOONU-UHFFFAOYSA-N 0 0 453.520 4.584 40 5 JJBBRN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000001312551 194083581 /nfs/dbraw/zinc/08/35/81/194083581.db2.gz UQPDKUHXKWNTJH-UHFFFAOYSA-N 0 0 452.458 4.731 40 5 JJBBRN O=C(NN1C(=O)c2ccccc2N[C@H]1c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000001439731 194120939 /nfs/dbraw/zinc/12/09/39/194120939.db2.gz QEGFNQQLUSHDGK-LJQANCHMSA-N 0 0 457.273 4.813 40 5 JJBBRN O=C(Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000001671049 194131165 /nfs/dbraw/zinc/13/11/65/194131165.db2.gz YAUTUSUNZYCTGX-UHFFFAOYSA-N 0 0 470.004 4.628 40 5 JJBBRN O=C1CSC(=O)N1[C@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC000003940911 194366903 /nfs/dbraw/zinc/36/69/03/194366903.db2.gz VQEHBLGYANQWEA-OAQYLSRUSA-N 0 0 463.515 4.732 40 5 in-vitro JJBBRN COc1ccc(-c2ccc(C(=O)Nc3ccc4nn(-c5ccccc5)nc4c3)o2)c([N+](=O)[O-])c1 ZINC000020609894 195183119 /nfs/dbraw/zinc/18/31/19/195183119.db2.gz BRASPQRVLUBPKC-UHFFFAOYSA-N 0 0 455.430 4.850 40 5 JJBBRN CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000021576568 195315399 /nfs/dbraw/zinc/31/53/99/195315399.db2.gz SFGYSTOCQAIZNT-UHFFFAOYSA-N 0 0 499.999 4.549 40 5 JJBBRN CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)cc2)CC1 ZINC000021595237 195317575 /nfs/dbraw/zinc/31/75/75/195317575.db2.gz MURQEJJPCFSBDQ-UHFFFAOYSA-N 0 0 493.608 4.532 40 5 JJBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224820769 195461473 /nfs/dbraw/zinc/46/14/73/195461473.db2.gz QCWVNHPIJNNRNV-SFHVURJKSA-N 0 0 487.597 4.833 40 5 JJBBRN COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc2c(c1)oc1ccccc12)S(C)(=O)=O ZINC000224831698 195463663 /nfs/dbraw/zinc/46/36/63/195463663.db2.gz JPWPOIGNDIPKEE-UHFFFAOYSA-N 0 0 497.529 4.688 40 5 JJBBRN CC(C)(C)C(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN12 ZINC000008970949 518595511 /nfs/dbraw/zinc/59/55/11/518595511.db2.gz RKCPGGHAUZDUES-ZGXWSNOMSA-N 0 0 456.340 4.566 40 5 JJBBRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000016194513 521836604 /nfs/dbraw/zinc/83/66/04/521836604.db2.gz GMDKLHRJNVKAPP-AATRIKPKSA-N 0 0 470.740 4.926 40 5 JJBBRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000016194521 521837098 /nfs/dbraw/zinc/83/70/98/521837098.db2.gz MBIQFIOIVSGZSZ-GORDUTHDSA-N 0 0 470.740 4.926 40 5 JJBBRN COc1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccc(OC)cc2)cc1 ZINC000006157207 523259903 /nfs/dbraw/zinc/25/99/03/523259903.db2.gz FEFVYTWKKSEJBQ-UHFFFAOYSA-N 0 0 491.529 4.591 40 5 JJBBRN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3)CC2)cc1 ZINC000022706514 526115552 /nfs/dbraw/zinc/11/55/52/526115552.db2.gz ALBSSRMFWJMMOL-VGOFMYFVSA-N 0 0 470.529 4.518 40 5 JJBBRN O=C(c1noc(-c2ccc([N+](=O)[O-])cc2)c1S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000019202809 526929070 /nfs/dbraw/zinc/92/90/70/526929070.db2.gz RDVMHZVUXFAGOP-UHFFFAOYSA-N 0 0 468.874 4.967 40 5 JJBBRN O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000012249554 527083654 /nfs/dbraw/zinc/08/36/54/527083654.db2.gz DXGUPSBNPVUALK-UHFFFAOYSA-N 0 0 455.279 4.594 40 5 JJBBRN Cc1ccc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2-c2ccccc2)cc1[N+](=O)[O-] ZINC000000786812 553781499 /nfs/dbraw/zinc/78/14/99/553781499.db2.gz QBTUHWFINQJNOU-UHFFFAOYSA-N 0 0 492.536 4.966 40 5 JJBBRN CC(C)c1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 ZINC000000839697 553793245 /nfs/dbraw/zinc/79/32/45/553793245.db2.gz JDZPTMFWLWVKEH-UHFFFAOYSA-N 0 0 453.520 4.552 40 5 JJBBRN CCn1c(CNc2ccc(C)c(Cl)c2)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000000870497 553808655 /nfs/dbraw/zinc/80/86/55/553808655.db2.gz BTNABZFBTFBYPO-UHFFFAOYSA-N 0 0 474.974 4.819 40 5 JJBBRN Cn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccccc1Br ZINC000000915479 553845655 /nfs/dbraw/zinc/84/56/55/553845655.db2.gz PZLOMUQABRFUDO-UHFFFAOYSA-N 0 0 482.747 4.537 40 5 JJBBRN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1 ZINC000006442693 554537078 /nfs/dbraw/zinc/53/70/78/554537078.db2.gz PCEZOLAPSAGFSW-UHFFFAOYSA-N 0 0 475.530 4.794 40 5 JJBBRN CCOc1ccccc1NC(=O)c1sc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C(=O)OC)c1C ZINC000006631555 554556849 /nfs/dbraw/zinc/55/68/49/554556849.db2.gz WWXPVLDESVXJNJ-UHFFFAOYSA-N 0 0 497.529 4.963 40 5 JJBBRN CCn1c(CNc2cccc(Cl)c2)nnc1S[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006878526 554560083 /nfs/dbraw/zinc/56/00/83/554560083.db2.gz PBMNRRFCLYKKLN-ZDUSSCGKSA-N 0 0 460.947 4.591 40 5 JJBBRN COc1cc(NC(=O)COc2ccc3c(c2)c2ccnc4c2n3c(=O)c2ccccc24)cc(OC)c1 ZINC000008792113 554685342 /nfs/dbraw/zinc/68/53/42/554685342.db2.gz FOMMONYJBXWPRX-UHFFFAOYSA-N 0 0 479.492 4.627 40 5 biogenic JJBBRN CC(=O)Nc1ccc(NC(=O)COc2ccc3c(c2)c2ccnc4c2n3c(=O)c2ccccc24)cc1 ZINC000008792130 554685356 /nfs/dbraw/zinc/68/53/56/554685356.db2.gz YMBIBNKVHKEKDS-UHFFFAOYSA-N 0 0 476.492 4.568 40 5 biogenic JJBBRN O=C(COc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13)NCCCc1ccccc1 ZINC000008792307 554685841 /nfs/dbraw/zinc/68/58/41/554685841.db2.gz CLUPFBPYGSUQLB-UHFFFAOYSA-N 0 0 461.521 4.720 40 5 biogenic JJBBRN CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000008832507 554726999 /nfs/dbraw/zinc/72/69/99/554726999.db2.gz RMQXOHQXXMMFHF-UHFFFAOYSA-N 0 0 465.337 4.603 40 5 JJBBRN O=C(Nc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1)c1cccs1 ZINC000008833174 554730038 /nfs/dbraw/zinc/73/00/38/554730038.db2.gz AGRXLRFFIYANGF-UHFFFAOYSA-N 0 0 495.586 4.636 40 5 JJBBRN Cc1ccc(C(=O)n2nc(-c3ccccc3)nc2SCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000009057299 554876505 /nfs/dbraw/zinc/87/65/05/554876505.db2.gz DPOPHPSTFDDVGY-UHFFFAOYSA-N 0 0 473.514 4.581 40 5 JJBBRN COC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009058876 554877639 /nfs/dbraw/zinc/87/76/39/554877639.db2.gz OIXWTUFBDTXBQG-UHFFFAOYSA-N 0 0 473.894 4.909 40 5 JJBBRN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3O)oc2c(C)c1 ZINC000009064872 554884180 /nfs/dbraw/zinc/88/41/80/554884180.db2.gz CTFOETVXCVIVID-UHFFFAOYSA-N 0 0 462.487 4.852 40 5 JJBBRN CN(C)c1ccc([C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@H]3[C@H]2[N+](=O)[O-])cc1 ZINC000009312903 555088846 /nfs/dbraw/zinc/08/88/46/555088846.db2.gz AXVIKEQTAYLUKG-SSUZURRFSA-N 0 0 484.512 4.557 40 5 JJBBRN CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)c([N+](=O)[O-])c1 ZINC000013301422 555372818 /nfs/dbraw/zinc/37/28/18/555372818.db2.gz WBPUKBFHWJFTNO-ZOVQAKDCSA-N 0 0 454.482 4.564 40 5 JJBBRN COc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc3sc(C)c(C)c3c2=O)cc1 ZINC000013401789 555395977 /nfs/dbraw/zinc/39/59/77/555395977.db2.gz IYFYJOGOPGUUSE-UHFFFAOYSA-N 0 0 496.570 4.712 40 5 JJBBRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2Cc2ccccc2)cc1 ZINC000013424470 555398633 /nfs/dbraw/zinc/39/86/33/555398633.db2.gz FFFPMWHBNIGVHT-UHFFFAOYSA-N 0 0 489.557 4.853 40 5 JJBBRN Cc1c(NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000019856813 555517657 /nfs/dbraw/zinc/51/76/57/555517657.db2.gz FFODSCYVFFOECM-UHFFFAOYSA-N 0 0 473.938 4.775 40 5 JJBBRN O=C(CSc1n[nH]c(-c2ccc(Br)cc2)n1)c1cc([N+](=O)[O-])ccc1Cl ZINC000019927298 555542294 /nfs/dbraw/zinc/54/22/94/555542294.db2.gz SIKXDLIXPJYOPU-UHFFFAOYSA-N 0 0 453.705 4.771 40 5 JJBBRN COc1ccccc1OCc1nnc(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)o1 ZINC000019928484 555543973 /nfs/dbraw/zinc/54/39/73/555543973.db2.gz SJAPLFPMZODSTK-UHFFFAOYSA-N 0 0 485.305 4.603 40 5 JJBBRN COc1ccc(Cc2nnc(SCC(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)o2)cc1OC ZINC000019929162 555545819 /nfs/dbraw/zinc/54/58/19/555545819.db2.gz CAZIVEKWHRVVHX-UHFFFAOYSA-N 0 0 499.332 4.623 40 5 JJBBRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)nn12 ZINC000010010299 555592297 /nfs/dbraw/zinc/59/22/97/555592297.db2.gz SIIFBCTUZHRVSK-WEVVVXLNSA-N 0 0 484.925 4.637 40 5 JJBBRN CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)CC1 ZINC000010010485 555592684 /nfs/dbraw/zinc/59/26/84/555592684.db2.gz QRYWJQLONCZTDR-UHFFFAOYSA-N 0 0 482.924 4.737 40 5 JJBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3c(C)cc(C)cc3Br)nc21 ZINC000010010675 555593302 /nfs/dbraw/zinc/59/33/02/555593302.db2.gz MNDNKSBUPZWABG-UHFFFAOYSA-N 0 0 466.313 4.610 40 5 JJBBRN COc1ccc(C(=O)Nc2ccc3oc(-c4cc(OC)c(OC)c(OC)c4)nc3c2)cc1[N+](=O)[O-] ZINC000010120215 555632581 /nfs/dbraw/zinc/63/25/81/555632581.db2.gz HNWBMDRTCNMXNP-UHFFFAOYSA-N 0 0 479.445 4.690 40 5 JJBBRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000020142802 555663848 /nfs/dbraw/zinc/66/38/48/555663848.db2.gz ISIUAEXCYNWMDN-UHFFFAOYSA-N 0 0 451.479 4.598 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(CSc2ccccc2)cc1C)S(C)(=O)=O ZINC000010434402 555709351 /nfs/dbraw/zinc/70/93/51/555709351.db2.gz YKYNZJBQYDFMAY-UHFFFAOYSA-N 0 0 499.614 4.909 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000014155712 555714362 /nfs/dbraw/zinc/71/43/62/555714362.db2.gz ORHQLWUJVGECKM-UHFFFAOYSA-N 0 0 473.938 4.699 40 5 JJBBRN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014269941 555760644 /nfs/dbraw/zinc/76/06/44/555760644.db2.gz IYCXNKRNGSYNGT-UHFFFAOYSA-N 0 0 472.876 4.994 40 5 JJBBRN O=C(NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014269901 555760689 /nfs/dbraw/zinc/76/06/89/555760689.db2.gz RCZYRYZOOSKJHS-UHFFFAOYSA-N 0 0 458.543 4.893 40 5 JJBBRN Cc1cc2sc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)nc2c(C)c1 ZINC000014270837 555763889 /nfs/dbraw/zinc/76/38/89/555763889.db2.gz AWZTVTCRXVLSDY-UHFFFAOYSA-N 0 0 469.592 4.938 40 5 JJBBRN CCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1Br ZINC000014271065 555764928 /nfs/dbraw/zinc/76/49/28/555764928.db2.gz IKQCAZKKYURKRK-UHFFFAOYSA-N 0 0 472.748 4.845 40 5 JJBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000014271080 555764952 /nfs/dbraw/zinc/76/49/52/555764952.db2.gz JPQXMOHVJUMVDO-UHFFFAOYSA-N 0 0 460.855 4.852 40 5 JJBBRN Cc1cccc(-c2nc3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)c1 ZINC000014272518 555770295 /nfs/dbraw/zinc/77/02/95/555770295.db2.gz SPVMUJMBABSLDL-UHFFFAOYSA-N 0 0 458.474 4.800 40 5 JJBBRN O=C(NC(=S)Nc1ccccc1I)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000014274103 555775653 /nfs/dbraw/zinc/77/56/53/555775653.db2.gz QWJWXWJNAXRAGU-UHFFFAOYSA-N 0 0 493.282 4.586 40 5 JJBBRN O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000014274361 555776509 /nfs/dbraw/zinc/77/65/09/555776509.db2.gz CDRWRUYHCYUWBP-UHFFFAOYSA-N 0 0 488.013 4.966 40 5 JJBBRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000014275821 555782062 /nfs/dbraw/zinc/78/20/62/555782062.db2.gz XURIOTOESTZPBJ-UHFFFAOYSA-N 0 0 474.546 4.887 40 5 JJBBRN O=C(NC(=S)Nc1ccc(Br)cc1F)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000014275932 555782322 /nfs/dbraw/zinc/78/23/22/555782322.db2.gz KWDIPMFPSRNKAU-UHFFFAOYSA-N 0 0 481.347 4.614 40 5 JJBBRN COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000014291356 555793139 /nfs/dbraw/zinc/79/31/39/555793139.db2.gz VDGDCPFGULXQSY-UHFFFAOYSA-N 0 0 476.474 4.590 40 5 JJBBRN CCc1ccc(S(=O)(=O)Oc2cc(C)nn2-c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000011691538 555800409 /nfs/dbraw/zinc/80/04/09/555800409.db2.gz UWHWPEAGUMDIAO-UHFFFAOYSA-N 0 0 456.307 4.726 40 5 JJBBRN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(O)c(OCC)c1[N+](=O)[O-])Nc1ccccc1-2 ZINC000015015537 555856211 /nfs/dbraw/zinc/85/62/11/555856211.db2.gz SFXWGOYXMOTARJ-FQEVSTJZSA-N 0 0 469.523 4.946 40 5 JJBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000015270992 555891328 /nfs/dbraw/zinc/89/13/28/555891328.db2.gz VRQAYDIMRHFWAD-UHFFFAOYSA-N 0 0 483.546 4.561 40 5 JJBBRN O=C(Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1)c1ccccc1Cl ZINC000022717883 555947968 /nfs/dbraw/zinc/94/79/68/555947968.db2.gz IPOICZQXPVOKTJ-UHFFFAOYSA-N 0 0 480.908 4.589 40 5 JJBBRN O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022748098 555951727 /nfs/dbraw/zinc/95/17/27/555951727.db2.gz SHNGMLZHKRTPDT-UHFFFAOYSA-N 0 0 489.768 4.518 40 5 JJBBRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)c1 ZINC000016637140 556149061 /nfs/dbraw/zinc/14/90/61/556149061.db2.gz NHJMEZZVFFNFHU-UHFFFAOYSA-N 0 0 464.931 4.512 40 5 JJBBRN CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000018067165 556282567 /nfs/dbraw/zinc/28/25/67/556282567.db2.gz OFCILHBPDUWKEH-VJBWXMMDSA-N 0 0 477.904 4.862 40 5 JJBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000030759055 556374468 /nfs/dbraw/zinc/37/44/68/556374468.db2.gz KKLVLLQFSRFHBM-UHFFFAOYSA-N 0 0 475.910 4.618 40 5 JJBBRN Cc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c3)nn12 ZINC000032126268 556430070 /nfs/dbraw/zinc/43/00/70/556430070.db2.gz UNRXSGFFZDGIAW-UHFFFAOYSA-N 0 0 460.475 4.890 40 5 JJBBRN Cc1nnc2sc(-c3ccccc3NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)nn12 ZINC000057314118 569596850 /nfs/dbraw/zinc/59/68/50/569596850.db2.gz LPWYKKAEONIXRK-ACCUITESSA-N 0 0 472.486 4.981 40 5 JJBBRN CC1CCN(c2ccc(C(=O)Nc3ccc(I)cc3F)cc2[N+](=O)[O-])CC1 ZINC000057316210 569597621 /nfs/dbraw/zinc/59/76/21/569597621.db2.gz VMNCFOGYXLFWOC-UHFFFAOYSA-N 0 0 483.281 4.827 40 5 JJBBRN CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c3)nn12 ZINC000057316978 569598245 /nfs/dbraw/zinc/59/82/45/569598245.db2.gz RWFNEALKOUGJKZ-UHFFFAOYSA-N 0 0 460.475 4.836 40 5 JJBBRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1 ZINC000057317148 569598374 /nfs/dbraw/zinc/59/83/74/569598374.db2.gz XEYNGGKCCCANGL-UHFFFAOYSA-N 0 0 476.533 4.802 40 5 JJBBRN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@H]12 ZINC000059433402 569603738 /nfs/dbraw/zinc/60/37/38/569603738.db2.gz UQGXXJXBYVAYHD-ZCOIRKDISA-N 0 0 454.482 4.564 40 5 JJBBRN O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000059557275 569606783 /nfs/dbraw/zinc/60/67/83/569606783.db2.gz YWFDHMWYZHIWET-UHFFFAOYSA-N 0 0 450.926 4.823 40 5 JJBBRN O=C(NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000033596230 569628385 /nfs/dbraw/zinc/62/83/85/569628385.db2.gz PUSRTORQPGSQAX-UHFFFAOYSA-N 0 0 476.470 4.827 40 5 JJBBRN Cc1cc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)ccc1[N+](=O)[O-] ZINC000035272007 569679342 /nfs/dbraw/zinc/67/93/42/569679342.db2.gz SWOVUPGBRNSELT-UHFFFAOYSA-N 0 0 468.922 4.936 40 5 JJBBRN CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000035808490 569712039 /nfs/dbraw/zinc/71/20/39/569712039.db2.gz LHXBEALTCFEOFJ-UWUFEASWSA-N 0 0 461.905 4.624 40 5 JJBBRN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 ZINC000035889783 569721778 /nfs/dbraw/zinc/72/17/78/569721778.db2.gz WYCBNYHPRJBYPC-ANNHOSHMSA-N 0 0 485.565 4.722 40 5 JJBBRN CC(=O)Nc1cccc(OC(=O)c2cc(F)c(N(C)Cc3ccccc3)c(F)c2)c1[N+](=O)[O-] ZINC000096028442 569732159 /nfs/dbraw/zinc/73/21/59/569732159.db2.gz BOCLOAWUCMIZJR-UHFFFAOYSA-N 0 0 455.417 4.687 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000036785221 569780710 /nfs/dbraw/zinc/78/07/10/569780710.db2.gz JFGBEKKSILYNPU-UHFFFAOYSA-N 0 0 473.514 4.853 40 5 JJBBRN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4Cl)N(c4cccc([N+](=O)[O-])c4)O[C@@H]3C2=O)cc1 ZINC000101116212 569783483 /nfs/dbraw/zinc/78/34/83/569783483.db2.gz BOPVQJYHDXWSQO-FSSWDIPSSA-N 0 0 463.877 4.608 40 5 JJBBRN Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)c2)cc1 ZINC000039743019 569811097 /nfs/dbraw/zinc/81/10/97/569811097.db2.gz UHVOKAHUMWMBAC-UHFFFAOYSA-N 0 0 459.487 4.926 40 5 JJBBRN O=C(Nc1nnc(-c2ccccc2)s1)c1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000039752611 569811388 /nfs/dbraw/zinc/81/13/88/569811388.db2.gz LVFSFFNMPJTPQM-UHFFFAOYSA-N 0 0 490.457 4.526 40 5 JJBBRN O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc2ccccc2o1 ZINC000039751026 569811400 /nfs/dbraw/zinc/81/14/00/569811400.db2.gz QDWRWQJFNXKAQZ-UHFFFAOYSA-N 0 0 469.413 4.896 40 5 JJBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1 ZINC000039757384 569811515 /nfs/dbraw/zinc/81/15/15/569811515.db2.gz LXBKEOOYQHOTHE-NTEUORMPSA-N 0 0 455.430 4.549 40 5 JJBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)o2)c1 ZINC000039762609 569811600 /nfs/dbraw/zinc/81/16/00/569811600.db2.gz ACOYVSUTWBYYGK-OUKQBFOZSA-N 0 0 455.430 4.549 40 5 JJBBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc2ccccc2c1 ZINC000102725698 569817712 /nfs/dbraw/zinc/81/77/12/569817712.db2.gz HTMKSIUKRBNEIZ-SDHSZQHLSA-N 0 0 465.465 4.799 40 5 JJBBRN O=C(C1=C2C(O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12)c1cccc([N+](=O)[O-])c1 ZINC000049899686 569850059 /nfs/dbraw/zinc/85/00/59/569850059.db2.gz CLPBGOJNBGQOBQ-NEWJYFPISA-N 0 0 499.910 4.647 40 5 JJBBRN Cc1ccc(Oc2ccc(NC(=O)CCC(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1C ZINC000138693266 569866213 /nfs/dbraw/zinc/86/62/13/569866213.db2.gz JMAFFULKWIJKAM-UHFFFAOYSA-N 0 0 491.500 4.905 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222566238 569885900 /nfs/dbraw/zinc/88/59/00/569885900.db2.gz AGTYTJNLJDVIRE-XXBNENTESA-N 0 0 471.623 4.593 40 5 JJBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222786439 569891046 /nfs/dbraw/zinc/89/10/46/569891046.db2.gz HICQYSGDZLEODZ-INIZCTEOSA-N 0 0 478.014 4.813 40 5 JJBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222907456 569894113 /nfs/dbraw/zinc/89/41/13/569894113.db2.gz ZGPWQMZYWJIUHC-AWEZNQCLSA-N 0 0 466.365 4.776 40 5 JJBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222947862 569895256 /nfs/dbraw/zinc/89/52/56/569895256.db2.gz QMXALBOSJLMZEI-AWEZNQCLSA-N 0 0 466.365 4.776 40 5 JJBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222988179 569896284 /nfs/dbraw/zinc/89/62/84/569896284.db2.gz VEUGUBJFQQRQOD-CQSZACIVSA-N 0 0 466.365 4.776 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223030611 569897256 /nfs/dbraw/zinc/89/72/56/569897256.db2.gz AKHSZPQFZBLWQO-SJORKVTESA-N 0 0 478.014 4.813 40 5 JJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223135536 569900630 /nfs/dbraw/zinc/90/06/30/569900630.db2.gz DOBYMTFIJQXVAN-NRFANRHFSA-N 0 0 457.596 4.550 40 5 JJBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223242356 569904728 /nfs/dbraw/zinc/90/47/28/569904728.db2.gz SSVOVBVRDWNCTE-IBGZPJMESA-N 0 0 484.405 4.688 40 5 JJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223273735 569905744 /nfs/dbraw/zinc/90/57/44/569905744.db2.gz CULDYRVACFDRIS-XMMPIXPASA-N 0 0 479.964 4.567 40 5 JJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223273787 569905766 /nfs/dbraw/zinc/90/57/66/569905766.db2.gz CULDYRVACFDRIS-DEOSSOPVSA-N 0 0 479.964 4.567 40 5 JJBBRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223333333 569907903 /nfs/dbraw/zinc/90/79/03/569907903.db2.gz UENAUWWMDOKTGE-HNNXBMFYSA-N 0 0 466.365 4.778 40 5 JJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223365620 569908997 /nfs/dbraw/zinc/90/89/97/569908997.db2.gz CCZAYBNQSWAGHG-DEOSSOPVSA-N 0 0 479.964 4.567 40 5 JJBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 ZINC000223397355 569909846 /nfs/dbraw/zinc/90/98/46/569909846.db2.gz FJFDKKXUONOVLI-RPWUZVMVSA-N 0 0 455.543 4.953 40 5 JJBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)o1 ZINC000223475020 569912529 /nfs/dbraw/zinc/91/25/29/569912529.db2.gz PVRZUSYXVIJNFV-DHIUTWEWSA-N 0 0 457.515 4.818 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)o1 ZINC000223516182 569914296 /nfs/dbraw/zinc/91/42/96/569914296.db2.gz SOLCQEIMPBLNPH-DNQXCXABSA-N 0 0 487.541 4.826 40 5 JJBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)o2)cc1 ZINC000223520121 569914451 /nfs/dbraw/zinc/91/44/51/569914451.db2.gz JUWPGSDDCXMDEH-PKTZIBPZSA-N 0 0 457.515 4.818 40 5 JJBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223715223 569920875 /nfs/dbraw/zinc/92/08/75/569920875.db2.gz VWAYRGLNIPQXLC-RXFWQSSRSA-N 0 0 491.563 4.831 40 5 JJBBRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223947475 569928108 /nfs/dbraw/zinc/92/81/08/569928108.db2.gz KJFLIVCQAHZWNN-QHCPKHFHSA-N 0 0 487.622 4.560 40 5 JJBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223980241 569929339 /nfs/dbraw/zinc/92/93/39/569929339.db2.gz SRQIPYBZAVTFRJ-OAHLLOKOSA-N 0 0 478.376 4.920 40 5 JJBBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000223986865 569929566 /nfs/dbraw/zinc/92/95/66/569929566.db2.gz JOZJHZXSZYEJLJ-RPBOFIJWSA-N 0 0 498.568 4.916 40 5 JJBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224019293 569930741 /nfs/dbraw/zinc/93/07/41/569930741.db2.gz OYJRUUBUJYKQRE-MRXNPFEDSA-N 0 0 478.014 4.813 40 5 JJBBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000224543075 569947739 /nfs/dbraw/zinc/94/77/39/569947739.db2.gz SCBALUMRGIJNRM-BJKOFHAPSA-N 0 0 471.542 4.966 40 5 JJBBRN Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224823097 569959272 /nfs/dbraw/zinc/95/92/72/569959272.db2.gz OWLLETOGPOXOJR-SANMLTNESA-N 0 0 473.573 4.610 40 5 JJBBRN COc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1)S(C)(=O)=O ZINC000224832875 569959606 /nfs/dbraw/zinc/95/96/06/569959606.db2.gz IUNMYEWQRUVPHN-UHFFFAOYSA-N 0 0 491.610 4.514 40 5 JJBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224876920 569961375 /nfs/dbraw/zinc/96/13/75/569961375.db2.gz PECBVGNFSHBEPM-VWLOTQADSA-N 0 0 493.991 4.955 40 5 JJBBRN Cc1noc(/C=C/c2ccc(OCC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)c1[N+](=O)[O-] ZINC000408603972 569970071 /nfs/dbraw/zinc/97/00/71/569970071.db2.gz HXVUMEWFSOMHQK-NYYWCZLTSA-N 0 0 463.368 4.978 40 5 JJBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225037283 569970928 /nfs/dbraw/zinc/97/09/28/569970928.db2.gz RTYPWUDFGFISML-QHCPKHFHSA-N 0 0 451.567 4.702 40 5 JJBBRN O=C(COc1ccc(Br)cc1CNc1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000408606612 569971265 /nfs/dbraw/zinc/97/12/65/569971265.db2.gz JCBAPYSOZKTUNO-UHFFFAOYSA-N 0 0 456.296 4.987 40 5 JJBBRN CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(F)cc1F ZINC000408607447 569971521 /nfs/dbraw/zinc/97/15/21/569971521.db2.gz SBUNNKGWGIWCSG-WEVVVXLNSA-N 0 0 459.405 4.756 40 5 JJBBRN Cc1ccc(-n2c(Sc3ccc([N+](=O)[O-])c4nonc43)nnc2-c2ccccc2O)c(C)c1 ZINC000408607792 569971640 /nfs/dbraw/zinc/97/16/40/569971640.db2.gz URYXLIVFYOXJND-UHFFFAOYSA-N 0 0 460.475 4.852 40 5 JJBBRN CCCOc1c(I)cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OCC ZINC000408626173 569980543 /nfs/dbraw/zinc/98/05/43/569980543.db2.gz ZWVKMKBTOIVGNS-UHFFFAOYSA-N 0 0 484.290 4.948 40 5 JJBBRN CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225226191 569983976 /nfs/dbraw/zinc/98/39/76/569983976.db2.gz PBQHWHZTJIBKHI-NRFANRHFSA-N 0 0 478.014 4.815 40 5 JJBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225263834 569986840 /nfs/dbraw/zinc/98/68/40/569986840.db2.gz AZLYOBUBHHFQFU-SANMLTNESA-N 0 0 473.573 4.694 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225285997 569988347 /nfs/dbraw/zinc/98/83/47/569988347.db2.gz BBLOSWSSMOTVSX-CABCVRRESA-N 0 0 466.365 4.776 40 5 JJBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225316072 569990059 /nfs/dbraw/zinc/99/00/59/569990059.db2.gz QEIQSSIFWGGMKS-GJZGRUSLSA-N 0 0 466.365 4.776 40 5 JJBBRN Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000408660482 570000323 /nfs/dbraw/zinc/00/03/23/570000323.db2.gz LTACPIYDLXCFDY-UHFFFAOYSA-N 0 0 477.473 4.596 40 5 JJBBRN O=C(CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1 ZINC000225514589 570001476 /nfs/dbraw/zinc/00/14/76/570001476.db2.gz AUQLKGPYJMJACC-LOSJGSFVSA-N 0 0 499.552 4.861 40 5 JJBBRN O=C(CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1 ZINC000225514521 570001503 /nfs/dbraw/zinc/00/15/03/570001503.db2.gz AUQLKGPYJMJACC-DQEYMECFSA-N 0 0 499.552 4.861 40 5 JJBBRN CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408662351 570001597 /nfs/dbraw/zinc/00/15/97/570001597.db2.gz XXHOLQWAEHFDMO-LJQANCHMSA-N 0 0 491.887 4.563 40 5 JJBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225529148 570002864 /nfs/dbraw/zinc/00/28/64/570002864.db2.gz VPOBLCZBPFDXRQ-CVDCTZTESA-N 0 0 471.623 4.859 40 5 JJBBRN O=C(CCCC(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Nc1ccc([N+](=O)[O-])cc1 ZINC000408664569 570003335 /nfs/dbraw/zinc/00/33/35/570003335.db2.gz RHMWFSUVHWSYRE-UHFFFAOYSA-N 0 0 487.818 4.558 40 5 JJBBRN O=C1[C@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408668315 570005886 /nfs/dbraw/zinc/00/58/86/570005886.db2.gz VXBXWKHSSQDTCG-TUUBTQOTSA-N 0 0 465.292 4.692 40 5 JJBBRN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2cccc([N+](=O)[O-])c2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000408680204 570012071 /nfs/dbraw/zinc/01/20/71/570012071.db2.gz FXTLYRABAXAEGA-JOCHJYFZSA-N 0 0 471.918 4.855 40 5 JJBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]21 ZINC000408680466 570012174 /nfs/dbraw/zinc/01/21/74/570012174.db2.gz GHOONJYGIIHUAT-DUXSXAKTSA-N 0 0 488.327 4.656 40 5 JJBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000408681267 570012552 /nfs/dbraw/zinc/01/25/52/570012552.db2.gz HNBSLZUQZVTZHM-IRXDYDNUSA-N 0 0 476.316 4.634 40 5 JJBBRN CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000408682109 570012787 /nfs/dbraw/zinc/01/27/87/570012787.db2.gz IVUPDHHWORSRSH-MOPGFXCFSA-N 0 0 488.327 4.800 40 5 JJBBRN CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 ZINC000408682494 570012908 /nfs/dbraw/zinc/01/29/08/570012908.db2.gz JHPRRCUINVBKMU-RTBURBONSA-N 0 0 488.327 4.800 40 5 JJBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3Cl)C(=O)[C@@H]21 ZINC000408684266 570013519 /nfs/dbraw/zinc/01/35/19/570013519.db2.gz NFGRCJVDQHPFDH-ASUYLVSUSA-N 0 0 488.327 4.656 40 5 JJBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 ZINC000408685362 570013787 /nfs/dbraw/zinc/01/37/87/570013787.db2.gz PDYWVDGNOIOIMK-SKDZVZGDSA-N 0 0 490.343 4.880 40 5 JJBBRN C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000408688350 570014579 /nfs/dbraw/zinc/01/45/79/570014579.db2.gz WAXSAJUNHQVCEJ-XWIAVFTESA-N 0 0 490.343 4.880 40 5 JJBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21 ZINC000408689524 570014922 /nfs/dbraw/zinc/01/49/22/570014922.db2.gz YKXPUWLBVVWSKN-VOWSPCBNSA-N 0 0 488.327 4.656 40 5 JJBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(F)cc2)n(-c2ccc(Br)cc2)n1 ZINC000408695381 570017843 /nfs/dbraw/zinc/01/78/43/570017843.db2.gz QHIVDBMEKGUPBM-UHFFFAOYSA-N 0 0 482.269 4.996 40 5 JJBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225751521 570020001 /nfs/dbraw/zinc/02/00/01/570020001.db2.gz HTQWHCYTYLPBKV-FDDCHVKYSA-N 0 0 487.622 4.559 40 5 JJBBRN CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)ccc1O[C@H](C)CC ZINC000225770833 570020865 /nfs/dbraw/zinc/02/08/65/570020865.db2.gz KVAVHAYFQXCBJN-QGZVFWFLSA-N 0 0 470.522 4.636 40 5 JJBBRN CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C(=O)OCC ZINC000225770775 570020878 /nfs/dbraw/zinc/02/08/78/570020878.db2.gz WLZWGODALZGQOQ-UHFFFAOYSA-N 0 0 470.522 4.637 40 5 JJBBRN CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000408728649 570028520 /nfs/dbraw/zinc/02/85/20/570028520.db2.gz QPXNMHLVNCCPDO-URFUVCHWSA-N 0 0 458.901 4.993 40 5 JJBBRN O=C(Oc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000408763207 570037381 /nfs/dbraw/zinc/03/73/81/570037381.db2.gz OICSMJAJFFSOPQ-NDENLUEZSA-N 0 0 493.269 4.921 40 5 JJBBRN Cc1c(C(N)=O)c2ccccc2n1C(=O)c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 ZINC000226767559 570038365 /nfs/dbraw/zinc/03/83/65/570038365.db2.gz UHENEWSNHKOWBM-UHFFFAOYSA-N 0 0 468.263 4.668 40 5 JJBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Br)c(OC)c([N+](=O)[O-])c3)S2)cc1 ZINC000408770705 570038741 /nfs/dbraw/zinc/03/87/41/570038741.db2.gz AZABODVUAQOPPH-NXIIHZOPSA-N 0 0 464.341 4.528 40 5 JJBBRN CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408838987 570053382 /nfs/dbraw/zinc/05/33/82/570053382.db2.gz LIRDFUIRYGGDAG-XSFVSMFZSA-N 0 0 458.426 4.557 40 5 JJBBRN O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1ccc(F)cc1 ZINC000408880420 570062639 /nfs/dbraw/zinc/06/26/39/570062639.db2.gz IWUKFDAZHNWEQT-ODLFYWEKSA-N 0 0 467.434 4.669 40 5 JJBBRN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408923611 570077969 /nfs/dbraw/zinc/07/79/69/570077969.db2.gz YKVNXOQOSKGPLI-NCELDCMTSA-N 0 0 491.569 4.949 40 5 JJBBRN O=C1[C@H]2[C@@H](C(=O)N1N/C=C/c1cc([N+](=O)[O-])ccc1Cl)C1c3ccccc3C2c2ccccc21 ZINC000408964615 570086951 /nfs/dbraw/zinc/08/69/51/570086951.db2.gz DUPBRNAODYJFBU-XEQCSASXSA-N 0 0 471.900 4.616 40 5 JJBBRN O=C1[C@H]2[C@H](C(=O)N1N/C=C/c1cc([N+](=O)[O-])ccc1Cl)C1c3ccccc3C2c2ccccc21 ZINC000408964610 570086984 /nfs/dbraw/zinc/08/69/84/570086984.db2.gz DUPBRNAODYJFBU-KSFBMPINSA-N 0 0 471.900 4.616 40 5 JJBBRN Cc1ccc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3)o2)cc1[N+](=O)[O-] ZINC000409008256 570098613 /nfs/dbraw/zinc/09/86/13/570098613.db2.gz XIPKQAITJLYLNV-UHFFFAOYSA-N 0 0 450.476 4.749 40 5 JJBBRN CCOc1ccc(C2=N/C(=C/c3cccc(OC(=O)c4cccc([N+](=O)[O-])c4)c3)C(=O)O2)cc1 ZINC000409008806 570098832 /nfs/dbraw/zinc/09/88/32/570098832.db2.gz IPQZFWBITONNOG-HYARGMPZSA-N 0 0 458.426 4.557 40 5 JJBBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O ZINC000409010358 570099315 /nfs/dbraw/zinc/09/93/15/570099315.db2.gz CIBHVQQPJAHOLN-VRCTWVPOSA-N 0 0 479.514 4.586 40 5 JJBBRN CCOC(=O)CN1C(=O)S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C1=O ZINC000409044453 570108267 /nfs/dbraw/zinc/10/82/67/570108267.db2.gz CGQSRBPVQJCNRD-LPYMAVHISA-N 0 0 492.509 4.926 40 5 JJBBRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000409052568 570110390 /nfs/dbraw/zinc/11/03/90/570110390.db2.gz IPRNHMWAZTUDQO-UHFFFAOYSA-N 0 0 455.820 4.758 40 5 JJBBRN COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000409058346 570112885 /nfs/dbraw/zinc/11/28/85/570112885.db2.gz NYFDDPQPNCPNSE-UNOMPAQXSA-N 0 0 497.916 4.656 40 5 JJBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O ZINC000409072734 570118967 /nfs/dbraw/zinc/11/89/67/570118967.db2.gz KUXQGGXNUHVLEZ-SDUWKLLGSA-N 0 0 471.274 4.759 40 5 JJBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C1=O ZINC000409094920 570126269 /nfs/dbraw/zinc/12/62/69/570126269.db2.gz GJQBLQSBHYEQIH-IKMPRTQCSA-N 0 0 492.509 4.925 40 5 JJBBRN COCCN1C(=O)S/C(=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409129411 570139406 /nfs/dbraw/zinc/13/94/06/570139406.db2.gz GADZXKHGGYNIKO-WOJGMQOQSA-N 0 0 478.910 4.519 40 5 JJBBRN Cn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409130984 570140100 /nfs/dbraw/zinc/14/01/00/570140100.db2.gz MLCPZNQPRJLBMZ-UHFFFAOYSA-N 0 0 471.848 4.793 40 5 JJBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)c1 ZINC000409154099 570149966 /nfs/dbraw/zinc/14/99/66/570149966.db2.gz FTTYPOIBUGNZIN-PXNMLYILSA-N 0 0 463.924 4.645 40 5 JJBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000409158470 570151298 /nfs/dbraw/zinc/15/12/98/570151298.db2.gz OSKIBHLXOOKZNU-RGVLZGJSSA-N 0 0 481.461 4.977 40 5 JJBBRN Cc1cc(Br)cc(C)c1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000409164329 570152881 /nfs/dbraw/zinc/15/28/81/570152881.db2.gz GWQPZWLSJSLADM-UHFFFAOYSA-N 0 0 463.313 4.755 40 5 JJBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409173382 570155681 /nfs/dbraw/zinc/15/56/81/570155681.db2.gz LPJRSHBEOPWHMF-UHFFFAOYSA-N 0 0 455.404 4.919 40 5 JJBBRN COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409173770 570155975 /nfs/dbraw/zinc/15/59/75/570155975.db2.gz RTFMKXWAJJPMGU-UDWIEESQSA-N 0 0 479.876 4.933 40 5 JJBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)cc1[N+](=O)[O-])C1c3ccccc3C2(Br)c2ccccc21 ZINC000409177102 570157372 /nfs/dbraw/zinc/15/73/72/570157372.db2.gz ARHYCBXBCDFPAE-CAZKKTPXSA-N 0 0 493.288 4.637 40 5 JJBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1I ZINC000409177622 570157588 /nfs/dbraw/zinc/15/75/88/570157588.db2.gz BBKSEQHOWNSUPZ-HXUWFJFHSA-N 0 0 487.249 4.980 40 5 JJBBRN CC(=O)Oc1ccc(C(=O)COC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409180174 570158769 /nfs/dbraw/zinc/15/87/69/570158769.db2.gz USEVXKNXBPJQIV-UHFFFAOYSA-N 0 0 451.456 4.711 40 5 JJBBRN O=C(CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000409180154 570158801 /nfs/dbraw/zinc/15/88/01/570158801.db2.gz UQAYGTLUEIXZAH-UHFFFAOYSA-N 0 0 465.418 4.757 40 5 JJBBRN Cc1c(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409181286 570159325 /nfs/dbraw/zinc/15/93/25/570159325.db2.gz APVALZAWADZFKU-NRFANRHFSA-N 0 0 465.374 4.501 40 5 JJBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409182261 570159728 /nfs/dbraw/zinc/15/97/28/570159728.db2.gz JLBAATWIJOXZAP-UHFFFAOYSA-N 0 0 455.404 4.919 40 5 JJBBRN Cc1ccc(C2=N/C(=C\c3ccccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 ZINC000409191262 570161939 /nfs/dbraw/zinc/16/19/39/570161939.db2.gz FQSNKSLGUQOACK-ONBHANDSSA-N 0 0 454.438 4.867 40 5 JJBBRN CCOc1cc(/C=C2\N=C(c3cccc(OC)c3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409195711 570163451 /nfs/dbraw/zinc/16/34/51/570163451.db2.gz VNEAKQDYJMLEGH-BKUYFWCQSA-N 0 0 488.452 4.566 40 5 JJBBRN CCOc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000409195936 570163493 /nfs/dbraw/zinc/16/34/93/570163493.db2.gz WUJCJDSXPKJFQM-BGFDYXISSA-N 0 0 484.464 4.957 40 5 JJBBRN COc1ccc(OCc2nnc3n2N=C(c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)S3)cc1 ZINC000409198921 570164352 /nfs/dbraw/zinc/16/43/52/570164352.db2.gz GEYAACNTIBUZBF-QHCPKHFHSA-N 0 0 473.514 4.873 40 5 JJBBRN O=C(CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409200646 570165195 /nfs/dbraw/zinc/16/51/95/570165195.db2.gz JENOCFAFRYTPRS-VIZOYTHASA-N 0 0 496.726 4.686 40 5 JJBBRN O=C1N/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1ccccc1 ZINC000409201762 570165554 /nfs/dbraw/zinc/16/55/54/570165554.db2.gz PNRQOVNZVAATEC-WOJGMQOQSA-N 0 0 468.263 4.710 40 5 JJBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O ZINC000409213224 570170898 /nfs/dbraw/zinc/17/08/98/570170898.db2.gz TVZBZYZWWNHUFQ-BDQMVGTNSA-N 0 0 493.541 4.976 40 5 JJBBRN Cc1cccc(CN2C(=O)N/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)c1 ZINC000409221635 570174686 /nfs/dbraw/zinc/17/46/86/570174686.db2.gz UBWSLWPVHBWWHR-ZVHZXABRSA-N 0 0 466.497 4.999 40 5 JJBBRN O=C(CN1C(=O)SC(=Cc2cc([N+](=O)[O-])ccc2Cl)C1=O)c1ccc(Br)cc1 ZINC000409224504 570175530 /nfs/dbraw/zinc/17/55/30/570175530.db2.gz LZJHXISNXUQZGK-PXNMLYILSA-N 0 0 481.711 4.930 40 5 JJBBRN CC[C@@H](C)Nc1nc(Nc2ccc(OC)cc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328966934 570179854 /nfs/dbraw/zinc/17/98/54/570179854.db2.gz CPBWVVXVJOCFPA-CYBMUJFWSA-N 0 0 477.443 4.757 40 5 JJBBRN O=[N+]([O-])c1cccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)c1 ZINC000329070652 570183809 /nfs/dbraw/zinc/18/38/09/570183809.db2.gz ZIWZVPLEXOMPMJ-UHFFFAOYSA-N 0 0 473.455 4.761 40 5 JJBBRN CC[C@H](C)Nc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329070632 570183906 /nfs/dbraw/zinc/18/39/06/570183906.db2.gz ZIMZKMPLIUZIOR-AWEZNQCLSA-N 0 0 461.444 4.617 40 5 JJBBRN Cc1ccc(CN2C(=O)N/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1 ZINC000409251313 570185922 /nfs/dbraw/zinc/18/59/22/570185922.db2.gz UVZGRPDSRNWFIR-ZVHZXABRSA-N 0 0 466.497 4.999 40 5 JJBBRN O=C(Oc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000409262616 570187818 /nfs/dbraw/zinc/18/78/18/570187818.db2.gz JDBUQQVUEUUJHU-UHFFFAOYSA-N 0 0 492.469 4.978 40 5 JJBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cc(C)cc(C)c2)cc1 ZINC000409263887 570188110 /nfs/dbraw/zinc/18/81/10/570188110.db2.gz CQWILMGTEFIBFZ-UHFFFAOYSA-N 0 0 467.547 4.662 40 5 JJBBRN O=C(COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000408556235 570197287 /nfs/dbraw/zinc/19/72/87/570197287.db2.gz ZSOXYAIZGPBQKV-UHFFFAOYSA-N 0 0 496.328 4.720 40 5 JJBBRN COc1cc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000408556801 570197703 /nfs/dbraw/zinc/19/77/03/570197703.db2.gz LPXIGESHNWKZKZ-UHFFFAOYSA-N 0 0 473.514 4.853 40 5 JJBBRN CCOc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408558945 570199459 /nfs/dbraw/zinc/19/94/59/570199459.db2.gz UPPNPAJXONDQLB-UHFFFAOYSA-N 0 0 475.910 4.700 40 5 JJBBRN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccc1[N+](=O)[O-] ZINC000408562559 570201892 /nfs/dbraw/zinc/20/18/92/570201892.db2.gz AZYXNWPNRDDDGY-UHFFFAOYSA-N 0 0 479.436 4.975 40 5 JJBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OC ZINC000408565041 570203016 /nfs/dbraw/zinc/20/30/16/570203016.db2.gz BBJRFNAZBHSXDR-GOSISDBHSA-N 0 0 493.383 4.856 40 5 JJBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OC ZINC000408565469 570203321 /nfs/dbraw/zinc/20/33/21/570203321.db2.gz CAFGLNYQSAAGHX-KRWDZBQOSA-N 0 0 497.346 4.605 40 5 JJBBRN CN1C[C@H](c2ccc(OCc3ccccc3F)c(Cl)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408566218 570203532 /nfs/dbraw/zinc/20/35/32/570203532.db2.gz NHLBAOJETZZZMU-LAMXGVLKSA-N 0 0 481.911 4.580 40 5 JJBBRN CCN(CC)C(=O)[C@H]1CCCN(C(=S)Oc2ccc3nc4[nH]c5ccccc5c4nc3c2)C1 ZINC000409330925 570204192 /nfs/dbraw/zinc/20/41/92/570204192.db2.gz ATPQSHZBQYINED-INIZCTEOSA-N 0 0 461.591 4.508 40 5 JJBBRN O=C(CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000409331329 570204304 /nfs/dbraw/zinc/20/43/04/570204304.db2.gz AWHMKZJQOQSYHI-GJZGRUSLSA-N 0 0 496.570 4.615 40 5 JJBBRN O=C(C=Cc1ccc(-c2ccccc2)o1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000408571482 570204715 /nfs/dbraw/zinc/20/47/15/570204715.db2.gz CJIXNVBUDPIJHI-DHZHZOJOSA-N 0 0 496.976 4.745 40 5 JJBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3sc4ccccc4c3Cl)CC2)c([N+](=O)[O-])c1 ZINC000408571697 570204794 /nfs/dbraw/zinc/20/47/94/570204794.db2.gz CSLHZOSMYQBGOZ-UHFFFAOYSA-N 0 0 473.938 4.602 40 5 JJBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000408573253 570205130 /nfs/dbraw/zinc/20/51/30/570205130.db2.gz AAWOLDGXZTXMOG-UHFFFAOYSA-N 0 0 466.302 4.955 40 5 JJBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCC)c(OCC)c2)cc1 ZINC000408574067 570205378 /nfs/dbraw/zinc/20/53/78/570205378.db2.gz UNPZSVVFDXAMGS-JOCHJYFZSA-N 0 0 472.567 4.882 40 5 JJBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4cccc(Cl)c4)o3)CC2)c([N+](=O)[O-])c1 ZINC000408574431 570205404 /nfs/dbraw/zinc/20/54/04/570205404.db2.gz QNPACEXOVFSISJ-UHFFFAOYSA-N 0 0 483.908 4.647 40 5 JJBBRN CCOc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccccc1 ZINC000408575610 570205724 /nfs/dbraw/zinc/20/57/24/570205724.db2.gz WRUHBUYUPWJMFZ-GOSISDBHSA-N 0 0 463.357 4.847 40 5 JJBBRN O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408575627 570205753 /nfs/dbraw/zinc/20/57/53/570205753.db2.gz OHNSPODJSZULIC-ZRZWOPFXSA-N 0 0 471.513 4.683 40 5 JJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)c(C)c1 ZINC000408575751 570205780 /nfs/dbraw/zinc/20/57/80/570205780.db2.gz QHJZMMPATUBSCD-UHFFFAOYSA-N 0 0 459.911 4.918 40 5 JJBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000408581622 570206778 /nfs/dbraw/zinc/20/67/78/570206778.db2.gz JRVIYIIYIKENGJ-UHFFFAOYSA-N 0 0 464.425 4.810 40 5 JJBBRN Cc1c(NC(=O)CCc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000408584182 570207455 /nfs/dbraw/zinc/20/74/55/570207455.db2.gz MSXXHZTYIXORKA-GOSISDBHSA-N 0 0 467.547 4.514 40 5 JJBBRN Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3Br)o2)cc1[N+](=O)[O-] ZINC000000853506 193928249 /nfs/dbraw/zinc/92/82/49/193928249.db2.gz QIZVXAHALNBZMV-NSHDSACASA-N 0 0 463.313 4.835 40 5 JJBBRN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1)Nc1cccc2ccccc21 ZINC000000876196 193939616 /nfs/dbraw/zinc/93/96/16/193939616.db2.gz BEZRAEWKXFXHRN-FQEVSTJZSA-N 0 0 489.557 4.916 40 5 JJBBRN Cc1nn(S(=O)(=O)c2ccc(Br)cc2)c(C)c1Sc1ccccc1[N+](=O)[O-] ZINC000001464951 194124562 /nfs/dbraw/zinc/12/45/62/194124562.db2.gz BBIRDRCJVJWSAF-UHFFFAOYSA-N 0 0 468.354 4.559 40 5 JJBBRN O=C1C[C@H](c2cccc(Cl)c2)Cc2nc3nc(SCc4cccc([N+](=O)[O-])c4)nn3cc21 ZINC000020796319 195225852 /nfs/dbraw/zinc/22/58/52/195225852.db2.gz HMMMEKYTDQITPU-OAHLLOKOSA-N 0 0 465.922 4.891 40 5 JJBBRN CCOC(=O)C1C(c2ccc(OC)cc2)=Nc2nc3ccccc3n2[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000021005655 195266011 /nfs/dbraw/zinc/26/60/11/195266011.db2.gz SKMVXDQRUFTVMJ-XMMPIXPASA-N 0 0 470.485 4.942 40 5 JJBBRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000021124187 195280157 /nfs/dbraw/zinc/28/01/57/195280157.db2.gz NQCVUCCMLSJVTO-UHFFFAOYSA-N 0 0 479.364 4.849 40 5 JJBBRN Nc1nnc(SCC(=O)Nc2ccc3nc(SCc4ccc([N+](=O)[O-])cc4)sc3c2)s1 ZINC000059364925 195398010 /nfs/dbraw/zinc/39/80/10/195398010.db2.gz IUOYLGSXLNBFQK-UHFFFAOYSA-N 0 0 490.617 4.661 40 5 JJBBRN CC(=O)c1ccc(SCCOCCSc2ccc(C(C)=O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000016321917 518411611 /nfs/dbraw/zinc/41/16/11/518411611.db2.gz IYHZYHQKSHABNA-UHFFFAOYSA-N 0 0 464.521 4.809 40 5 JJBBRN CC(C)C[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000022429772 519239326 /nfs/dbraw/zinc/23/93/26/519239326.db2.gz LPVCUQVAVQAWSP-XMMPIXPASA-N 0 0 481.574 4.694 40 5 JJBBRN CCCCOC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)N(c2ccc(C=O)cc2)O[C@@H]1C(=O)OCCCC ZINC000005665129 520717779 /nfs/dbraw/zinc/71/77/79/520717779.db2.gz IFILWLJINXDARU-SGNDLWITSA-N 0 0 498.532 4.572 40 5 JJBBRN CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1nc2cc(OC)ccc2cc1C ZINC000006089696 520787671 /nfs/dbraw/zinc/78/76/71/520787671.db2.gz WSMSSYINOVHQMA-UHFFFAOYSA-N 0 0 471.535 4.988 40 5 JJBBRN CCc1ccccc1-n1nnc(C(=O)Nc2nc(C)c(Cc3cccc([N+](=O)[O-])c3)s2)c1C ZINC000036640018 521803775 /nfs/dbraw/zinc/80/37/75/521803775.db2.gz QARAVNOJXANMAC-UHFFFAOYSA-N 0 0 462.535 4.654 40 5 JJBBRN COc1ccc(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc3sc(C)c(C)c3c2=O)cc1 ZINC000012488795 523321378 /nfs/dbraw/zinc/32/13/78/523321378.db2.gz ITPZMJQRCVQAMM-UHFFFAOYSA-N 0 0 496.570 4.712 40 5 JJBBRN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1-c1ccccc1 ZINC000006194301 524290023 /nfs/dbraw/zinc/29/00/23/524290023.db2.gz PJDYKQMTPINMET-UHFFFAOYSA-N 0 0 475.530 4.890 40 5 JJBBRN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1-c1ccc(CO)o1 ZINC000020142856 524627328 /nfs/dbraw/zinc/62/73/28/524627328.db2.gz JXRIFLWVCIZFGG-UHFFFAOYSA-N 0 0 465.506 4.844 40 5 JJBBRN C[C@H]1Cc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448645 524978980 /nfs/dbraw/zinc/97/89/80/524978980.db2.gz JTWTXEDHBYRQLX-AWEZNQCLSA-N 0 0 471.922 4.640 40 5 JJBBRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000020153230 525753004 /nfs/dbraw/zinc/75/30/04/525753004.db2.gz IDZNHMMXDBJFDA-UHFFFAOYSA-N 0 0 494.573 4.773 40 5 JJBBRN COc1cccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2ccccc24)c1 ZINC000008792133 525994731 /nfs/dbraw/zinc/99/47/31/525994731.db2.gz FWGKQDAMRQZHJK-QGZVFWFLSA-N 0 0 477.520 4.684 40 5 biogenic JJBBRN O=C(CCc1nc2ccccc2[nH]c1=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000016545170 526654077 /nfs/dbraw/zinc/65/40/77/526654077.db2.gz HDQGSTPYLRZKIH-UHFFFAOYSA-N 0 0 479.876 4.953 40 5 JJBBRN O=C(c1ccccc1)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000020519596 526796709 /nfs/dbraw/zinc/79/67/09/526796709.db2.gz RLNBELBECOHQEU-NZCWTCFWSA-N 0 0 489.528 4.553 40 5 JJBBRN Cc1ccc(-n2c(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3C)nnc2-c2cccnc2)cc1 ZINC000000873221 553811088 /nfs/dbraw/zinc/81/10/88/553811088.db2.gz HZIGZKQYZMZVKG-QGZVFWFLSA-N 0 0 474.546 4.974 40 5 JJBBRN O=C(OC(c1ccccc1)c1ccccc1)[C@H]1CSCN1C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000005518406 554491632 /nfs/dbraw/zinc/49/16/32/554491632.db2.gz SWCOOTSCHYEYKI-JOCHJYFZSA-N 0 0 478.526 4.939 40 5 JJBBRN COc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)nnc2-c2ccc(O)cc2)cc1 ZINC000006280733 554524861 /nfs/dbraw/zinc/52/48/61/554524861.db2.gz TYZHRYDSCYWLAG-UHFFFAOYSA-N 0 0 491.529 4.596 40 5 JJBBRN CCOc1ccccc1NC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)OC)c1C ZINC000006631558 554556857 /nfs/dbraw/zinc/55/68/57/554556857.db2.gz KGDXVNCWMWWWCF-UHFFFAOYSA-N 0 0 483.502 4.655 40 5 JJBBRN O=C(Nc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cc2ccccc2o1 ZINC000008831449 554722279 /nfs/dbraw/zinc/72/22/79/554722279.db2.gz IQJCLPXZPLEYKH-UHFFFAOYSA-N 0 0 460.471 4.720 40 5 JJBBRN COc1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1NC(=O)c1ccccc1Cl ZINC000008835594 554734756 /nfs/dbraw/zinc/73/47/56/554734756.db2.gz DMYXNEXKLSMOHI-UHFFFAOYSA-N 0 0 498.948 4.944 40 5 JJBBRN COc1ccc2c3nc(C(=O)NCc4ccc(F)cc4)cc4c5ccccc5n(c43)c(=O)c2c1OC ZINC000008878098 554773827 /nfs/dbraw/zinc/77/38/27/554773827.db2.gz LHMBDIIIHPLACT-UHFFFAOYSA-N 0 0 481.483 4.678 40 5 biogenic JJBBRN O=C(Nc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1)c1cc2ccccc2o1 ZINC000008900994 554793991 /nfs/dbraw/zinc/79/39/91/554793991.db2.gz STKINTDPAJDPQY-UHFFFAOYSA-N 0 0 486.484 4.682 40 5 JJBBRN COC(=O)c1c(C)c(C(=O)Nc2cccc([N+](=O)[O-])c2)sc1NC(=O)c1ccccc1Cl ZINC000008926621 554823778 /nfs/dbraw/zinc/82/37/78/554823778.db2.gz USXFKICWWYCMML-UHFFFAOYSA-N 0 0 473.894 4.909 40 5 JJBBRN CCCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000008969573 554843268 /nfs/dbraw/zinc/84/32/68/554843268.db2.gz PAKCWQZRQFKPKC-SDHSZQHLSA-N 0 0 487.512 4.825 40 5 JJBBRN C[C@@H](c1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)N1C=Cc3ccccc3[C@@H]21 ZINC000009411177 555178507 /nfs/dbraw/zinc/17/85/07/555178507.db2.gz BQRZUJOAIBJIQW-NOEGTZNFSA-N 0 0 493.519 4.550 40 5 JJBBRN C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)N1C=Cc3ccccc3[C@@H]21 ZINC000009411178 555178515 /nfs/dbraw/zinc/17/85/15/555178515.db2.gz BQRZUJOAIBJIQW-GUAXBCJGSA-N 0 0 493.519 4.550 40 5 JJBBRN COc1ccc(-c2nsc3c2ncnc3SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000013510940 555482730 /nfs/dbraw/zinc/48/27/30/555482730.db2.gz QTCNDPPPOYLPQS-UHFFFAOYSA-N 0 0 467.532 4.709 40 5 JJBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ncnc2c(-c3ccc(F)cc3)nsc21 ZINC000013510953 555482847 /nfs/dbraw/zinc/48/28/47/555482847.db2.gz CZNJQKQINHANMF-UHFFFAOYSA-N 0 0 455.496 4.840 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000019856106 555513952 /nfs/dbraw/zinc/51/39/52/555513952.db2.gz QPSLQMNBTDBQAZ-UHFFFAOYSA-N 0 0 467.547 4.861 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 ZINC000019856712 555517189 /nfs/dbraw/zinc/51/71/89/555517189.db2.gz BQUOVKHARZFWSO-UHFFFAOYSA-N 0 0 473.938 4.699 40 5 JJBBRN Cc1cc(C)cc(OCc2nnc(SCC(=O)c3cc([N+](=O)[O-])ccc3Br)o2)c1 ZINC000019927404 555542523 /nfs/dbraw/zinc/54/25/23/555542523.db2.gz TUGLVJPJPXCCRT-UHFFFAOYSA-N 0 0 478.324 4.911 40 5 JJBBRN O=C(CSc1n[nH]c(-c2ccc(Br)cc2)n1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000019927890 555542956 /nfs/dbraw/zinc/54/29/56/555542956.db2.gz VFCQBGNUIMCRMM-UHFFFAOYSA-N 0 0 468.720 4.527 40 5 JJBBRN COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)o2)c1 ZINC000019928999 555545461 /nfs/dbraw/zinc/54/54/61/555545461.db2.gz ZWWAHEJTAIVJCL-UHFFFAOYSA-N 0 0 485.305 4.700 40 5 JJBBRN CC(C)(C)c1ccc(C(=O)NCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000010000254 555589847 /nfs/dbraw/zinc/58/98/47/555589847.db2.gz FWRXIKIVXLHDLN-RUZDIDTESA-N 0 0 474.513 4.790 40 5 JJBBRN O=C(CNC(=O)c1ccc(Br)cc1)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000010039969 555605021 /nfs/dbraw/zinc/60/50/21/555605021.db2.gz FQBQCZXZZCHYAG-UHFFFAOYSA-N 0 0 485.290 4.623 40 5 JJBBRN O=C1[C@@H]2[C@H](c3ccccc3)N(c3cccc([N+](=O)[O-])c3)O[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000013786258 555618998 /nfs/dbraw/zinc/61/89/98/555618998.db2.gz RYZYEFDVPIMKHC-DSITVLBTSA-N 0 0 465.465 4.799 40 5 JJBBRN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)N(c4ccccc4)O[C@@H]3C2=O)c(C)c1 ZINC000013810954 555626490 /nfs/dbraw/zinc/62/64/90/555626490.db2.gz BZPAHXGGPZOEPF-VJBWXMMDSA-N 0 0 477.904 4.916 40 5 JJBBRN O=C(c1cccs1)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000013813591 555628703 /nfs/dbraw/zinc/62/87/03/555628703.db2.gz JBMAJIRBABAZQR-IKQBDLNTSA-N 0 0 495.557 4.614 40 5 JJBBRN COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 ZINC000010119948 555631779 /nfs/dbraw/zinc/63/17/79/555631779.db2.gz QNMUDGJIGRSIQC-UHFFFAOYSA-N 0 0 476.474 4.590 40 5 JJBBRN Cc1cc2nc(-c3ccc(CNC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)oc2cc1C ZINC000010120395 555633108 /nfs/dbraw/zinc/63/31/08/555633108.db2.gz YFVARXVVEOQJGF-UHFFFAOYSA-N 0 0 486.528 4.786 40 5 JJBBRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2CC)cc1 ZINC000013871573 555637664 /nfs/dbraw/zinc/63/76/64/555637664.db2.gz BNWFVFXQYABYEB-OAHLLOKOSA-N 0 0 455.540 4.639 40 5 JJBBRN COc1ccc(-c2ccc(C(=O)Nc3cc(-c4ccc(CO)o4)ccc3OC)o2)c([N+](=O)[O-])c1 ZINC000020140682 555663212 /nfs/dbraw/zinc/66/32/12/555663212.db2.gz KLZHXPQVMIBSTG-UHFFFAOYSA-N 0 0 464.430 4.877 40 5 JJBBRN CCOC(=O)c1ccc(Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1C(=O)OCC ZINC000020169038 555679755 /nfs/dbraw/zinc/67/97/55/555679755.db2.gz SGPZIOZCWLCOHG-UHFFFAOYSA-N 0 0 478.457 4.993 40 5 JJBBRN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])n2)cc1 ZINC000014152948 555708762 /nfs/dbraw/zinc/70/87/62/555708762.db2.gz BHVQUUPTLZDWOS-UHFFFAOYSA-N 0 0 494.451 4.819 40 5 JJBBRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2C)c(C)c1 ZINC000014155797 555714272 /nfs/dbraw/zinc/71/42/72/555714272.db2.gz JCNARTIUUZEADY-UHFFFAOYSA-N 0 0 453.520 4.882 40 5 JJBBRN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3O)oc2c1 ZINC000014270260 555761989 /nfs/dbraw/zinc/76/19/89/555761989.db2.gz LYPASOQPCPDBMH-UHFFFAOYSA-N 0 0 462.487 4.852 40 5 JJBBRN CCCC(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2Cl)CC1 ZINC000014273440 555773312 /nfs/dbraw/zinc/77/33/12/555773312.db2.gz FYPWOODGFCDLFR-UHFFFAOYSA-N 0 0 465.337 4.603 40 5 JJBBRN COc1ccc(C(=O)NC(=S)Nc2cc(-c3cc4ccccc4oc3=O)ccc2C)cc1[N+](=O)[O-] ZINC000014273878 555774804 /nfs/dbraw/zinc/77/48/04/555774804.db2.gz KOHZTUPWPFDBSP-UHFFFAOYSA-N 0 0 489.509 4.812 40 5 JJBBRN COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c(O)c2)cc1[N+](=O)[O-] ZINC000014275046 555778923 /nfs/dbraw/zinc/77/89/23/555778923.db2.gz GNTNFSMTTNHROQ-UHFFFAOYSA-N 0 0 492.513 4.861 40 5 JJBBRN COc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(C)cc(C)c4o3)c2)cc1[N+](=O)[O-] ZINC000014275147 555779676 /nfs/dbraw/zinc/77/96/76/555779676.db2.gz OBCMLJSHWVUNCV-UHFFFAOYSA-N 0 0 492.513 4.861 40 5 JJBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1cc(Br)cc(Br)c1OC ZINC000014278642 555789097 /nfs/dbraw/zinc/78/90/97/555789097.db2.gz JXWVLCFAHSMZKV-ZZXKWVIFSA-N 0 0 486.116 4.789 40 5 JJBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1[N+](=O)[O-] ZINC000020528455 555792358 /nfs/dbraw/zinc/79/23/58/555792358.db2.gz IOONJYCPJXZHBF-UHFFFAOYSA-N 0 0 462.212 4.786 40 5 JJBBRN Cc1c(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000020528523 555792670 /nfs/dbraw/zinc/79/26/70/555792670.db2.gz KNVAUXQRUVGAMI-UHFFFAOYSA-N 0 0 458.946 4.504 40 5 JJBBRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000014404977 555807486 /nfs/dbraw/zinc/80/74/86/555807486.db2.gz PSEYQUQUWVJERL-UHFFFAOYSA-N 0 0 455.474 4.902 40 5 JJBBRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000014405122 555807637 /nfs/dbraw/zinc/80/76/37/555807637.db2.gz IFLVEVMVEGJEPT-UHFFFAOYSA-N 0 0 455.474 4.902 40 5 JJBBRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000014831574 555840500 /nfs/dbraw/zinc/84/05/00/555840500.db2.gz ABDCQYOERNTYMJ-NTEUORMPSA-N 0 0 451.504 4.664 40 5 JJBBRN Cc1ccc(-c2csc3[nH]c(SCC(=O)Nc4cc([N+](=O)[O-])ccc4C)nc(=O)c23)cc1 ZINC000015023462 555864379 /nfs/dbraw/zinc/86/43/79/555864379.db2.gz QUWMNOYFZGMYRT-UHFFFAOYSA-N 0 0 466.544 4.907 40 5 JJBBRN Cc1cccc(-c2noc(CN(C(=O)COc3ccc([N+](=O)[O-])c(C)c3)C3CCCC3)n2)c1 ZINC000022257260 555904924 /nfs/dbraw/zinc/90/49/24/555904924.db2.gz FIDKONNBAOERDU-UHFFFAOYSA-N 0 0 450.495 4.612 40 5 JJBBRN Cc1ccc(-c2ccc(C=CC(=O)NC(=S)NNc3ccc([N+](=O)[O-])cc3)o2)cc1Cl ZINC000022563488 555934757 /nfs/dbraw/zinc/93/47/57/555934757.db2.gz ATGUAYBBICHFKV-PKNBQFBNSA-N 0 0 456.911 4.848 40 5 JJBBRN O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022569819 555937183 /nfs/dbraw/zinc/93/71/83/555937183.db2.gz QOYCVPYFBWRSAN-UHFFFAOYSA-N 0 0 462.437 4.631 40 5 JJBBRN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000022707852 555944350 /nfs/dbraw/zinc/94/43/50/555944350.db2.gz SOWJIYCCNIDSHZ-UHFFFAOYSA-N 0 0 471.863 4.773 40 5 JJBBRN O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022716595 555947792 /nfs/dbraw/zinc/94/77/92/555947792.db2.gz MXUAMJMPKHLHHW-UHFFFAOYSA-N 0 0 479.880 4.540 40 5 JJBBRN Cc1ccc(C(C)C)c(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000016291086 556133607 /nfs/dbraw/zinc/13/36/07/556133607.db2.gz COOYFFXAMSSJRZ-UHFFFAOYSA-N 0 0 465.472 4.773 40 5 JJBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)OC[C@H](COc1ccccc1)OC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000017003213 556199378 /nfs/dbraw/zinc/19/93/78/556199378.db2.gz XPYGEPWGGGENFC-NRFANRHFSA-N 0 0 496.432 4.748 40 5 JJBBRN CCCCc1ccc2nc(NC(=S)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)sc2c1 ZINC000032119050 556426001 /nfs/dbraw/zinc/42/60/01/556426001.db2.gz LPXAINORUADNNU-UHFFFAOYSA-N 0 0 459.509 4.582 40 5 JJBBRN Cc1nnc2sc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)nn12 ZINC000032127107 556431424 /nfs/dbraw/zinc/43/14/24/556431424.db2.gz JFCKMNZIQBCGEZ-VMPITWQZSA-N 0 0 454.899 4.683 40 5 JJBBRN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]12 ZINC000059433399 569603792 /nfs/dbraw/zinc/60/37/92/569603792.db2.gz UQGXXJXBYVAYHD-AYIBLLACSA-N 0 0 454.482 4.564 40 5 JJBBRN O=C(c1ccc(-c2ccccc2)cc1)N1NC(C(F)(F)F)=C[C@@]1(O)c1ccc([N+](=O)[O-])cc1 ZINC000059489089 569605541 /nfs/dbraw/zinc/60/55/41/569605541.db2.gz FHCSNBUWGLVXNI-JOCHJYFZSA-N 0 0 455.392 4.871 40 5 JJBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1Cl)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000059503337 569606321 /nfs/dbraw/zinc/60/63/21/569606321.db2.gz NCCQVXXQHDZUMO-YQORSWRPSA-N 0 0 465.292 4.778 40 5 JJBBRN O=c1/c(=C\c2ccc(Cl)cc2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000059678128 569607482 /nfs/dbraw/zinc/60/74/82/569607482.db2.gz IUJCDWBMZFPPKN-ZDGAQAAHSA-N 0 0 499.979 4.880 40 5 JJBBRN C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C ZINC000033429642 569626258 /nfs/dbraw/zinc/62/62/58/569626258.db2.gz VRJCESVFWAIGGX-LLVKDONJSA-N 0 0 466.350 4.813 40 5 JJBBRN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1cc([N+](=O)[O-])ccc1Cl ZINC000033625352 569629081 /nfs/dbraw/zinc/62/90/81/569629081.db2.gz NTGPWAVOBNRUQN-UHFFFAOYSA-N 0 0 456.241 4.955 40 5 JJBBRN O=C(NC(=S)Nc1ccc(I)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000033850607 569636335 /nfs/dbraw/zinc/63/63/35/569636335.db2.gz MWVQJHDFTZWCCX-UHFFFAOYSA-N 0 0 493.282 4.586 40 5 JJBBRN CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1c2cccc1C(F)(F)F ZINC000035808545 569712091 /nfs/dbraw/zinc/71/20/91/569712091.db2.gz LANUYUGYIILBSZ-FCORRRHLSA-N 0 0 485.418 4.582 40 5 JJBBRN O=C(/C=C/c1ccco1)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000039762996 569811662 /nfs/dbraw/zinc/81/16/62/569811662.db2.gz FLEGUXRJZRBXLK-VAWYXSNFSA-N 0 0 461.459 4.611 40 5 JJBBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000102708234 569816771 /nfs/dbraw/zinc/81/67/71/569816771.db2.gz ZZGDUMSFNPCPEV-ZVDOUQERSA-N 0 0 484.295 4.953 40 5 JJBBRN O=C1[C@@H]2[C@H](c3cccc4ccccc43)N(c3ccccc3)O[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000102707748 569816832 /nfs/dbraw/zinc/81/68/32/569816832.db2.gz HXXMZGFZVHQYJX-DSITVLBTSA-N 0 0 465.465 4.799 40 5 JJBBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)C(=O)N1c1cccc2ccccc21 ZINC000102711914 569817045 /nfs/dbraw/zinc/81/70/45/569817045.db2.gz CFLOBRJPPPOLTK-SDHSZQHLSA-N 0 0 465.465 4.799 40 5 JJBBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102724484 569817496 /nfs/dbraw/zinc/81/74/96/569817496.db2.gz FPWJGVZMUJRDLG-NJYVYQBISA-N 0 0 484.295 4.953 40 5 JJBBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000102734697 569818725 /nfs/dbraw/zinc/81/87/25/569818725.db2.gz SZNGISRRWCCVBE-ZVDOUQERSA-N 0 0 484.295 4.953 40 5 JJBBRN CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000040718072 569830544 /nfs/dbraw/zinc/83/05/44/569830544.db2.gz QGULGUJUGQPUPN-UHFFFAOYSA-N 0 0 486.016 4.879 40 5 JJBBRN O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1 ZINC000106709592 569854985 /nfs/dbraw/zinc/85/49/85/569854985.db2.gz FDVGDGIQYWYLMC-HMAPJEAMSA-N 0 0 489.509 4.849 40 5 JJBBRN CC(C)OC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O ZINC000106753957 569855551 /nfs/dbraw/zinc/85/55/51/569855551.db2.gz GTVPSHHPTHDSPO-PXNMLYILSA-N 0 0 495.307 4.605 40 5 JJBBRN O=C(Oc1c(Br)cc(Br)cc1/C=C/[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000107534185 569856529 /nfs/dbraw/zinc/85/65/29/569856529.db2.gz BPCPBIBUQPPZNI-AATRIKPKSA-N 0 0 472.045 4.586 40 5 JJBBRN O=C(NC(=S)Nc1cccc(Cl)c1N1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000108250744 569859285 /nfs/dbraw/zinc/85/92/85/569859285.db2.gz ULDFLZPDFICZFB-UHFFFAOYSA-N 0 0 473.986 4.575 40 5 JJBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21 ZINC000138616099 569866069 /nfs/dbraw/zinc/86/60/69/569866069.db2.gz GHOONJYGIIHUAT-ASUYLVSUSA-N 0 0 488.327 4.656 40 5 JJBBRN O=C(COc1ccccc1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1 ZINC000205682871 569874059 /nfs/dbraw/zinc/87/40/59/569874059.db2.gz KNXJZWFAYYSUFE-HYARGMPZSA-N 0 0 489.509 4.849 40 5 JJBBRN CCOc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1ccccc1 ZINC000205690038 569874105 /nfs/dbraw/zinc/87/41/05/569874105.db2.gz OSPSSKVFWXHJAX-XSFVSMFZSA-N 0 0 458.426 4.557 40 5 JJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)N1CCCCC1 ZINC000205819111 569874421 /nfs/dbraw/zinc/87/44/21/569874421.db2.gz ZFRVXAIPGWGAEB-WOJGMQOQSA-N 0 0 475.910 4.557 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222502939 569884917 /nfs/dbraw/zinc/88/49/17/569884917.db2.gz AYIAWZYFLFNXKM-JPYJTQIMSA-N 0 0 487.622 4.559 40 5 JJBBRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222715939 569889393 /nfs/dbraw/zinc/88/93/93/569889393.db2.gz OVMKWEWUPJHWFU-SANMLTNESA-N 0 0 491.563 4.689 40 5 JJBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223030553 569897264 /nfs/dbraw/zinc/89/72/64/569897264.db2.gz AKHSZPQFZBLWQO-DLBZAZTESA-N 0 0 478.014 4.813 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223263800 569905369 /nfs/dbraw/zinc/90/53/69/569905369.db2.gz SGFIMUXIYPDSIZ-QFQXNSOFSA-N 0 0 473.573 4.692 40 5 JJBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223272228 569905703 /nfs/dbraw/zinc/90/57/03/569905703.db2.gz HYNDWSOPHDSHNE-JOCHJYFZSA-N 0 0 471.623 4.859 40 5 JJBBRN Cc1cc(C)c([C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1C ZINC000223407997 569910244 /nfs/dbraw/zinc/91/02/44/569910244.db2.gz HSJOSDREIKFGLT-HXUWFJFHSA-N 0 0 481.574 4.593 40 5 JJBBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000223434297 569911304 /nfs/dbraw/zinc/91/13/04/569911304.db2.gz RWAYNISNVFBLRZ-RPBOFIJWSA-N 0 0 485.569 4.962 40 5 JJBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)o2)c1 ZINC000223481820 569912833 /nfs/dbraw/zinc/91/28/33/569912833.db2.gz FTFMUZJHOKTHTA-PKTZIBPZSA-N 0 0 457.515 4.818 40 5 JJBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)o2)c1 ZINC000223481905 569912847 /nfs/dbraw/zinc/91/28/47/569912847.db2.gz FTFMUZJHOKTHTA-GOTSBHOMSA-N 0 0 457.515 4.818 40 5 JJBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)o2)c1 ZINC000223519997 569914433 /nfs/dbraw/zinc/91/44/33/569914433.db2.gz LZKMVDOCLZUAQZ-GOTSBHOMSA-N 0 0 457.515 4.818 40 5 JJBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc2c3c(cccc31)CC2 ZINC000223529468 569914721 /nfs/dbraw/zinc/91/47/21/569914721.db2.gz KXVXHPUZPFFINO-UHFFFAOYSA-N 0 0 487.537 4.681 40 5 JJBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)o1 ZINC000223552499 569915744 /nfs/dbraw/zinc/91/57/44/569915744.db2.gz WVOYAYBDFLCEAE-DHIUTWEWSA-N 0 0 457.515 4.818 40 5 JJBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)o1 ZINC000223552620 569915755 /nfs/dbraw/zinc/91/57/55/569915755.db2.gz WVOYAYBDFLCEAE-XZOQPEGZSA-N 0 0 457.515 4.818 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223657754 569919255 /nfs/dbraw/zinc/91/92/55/569919255.db2.gz SMDDJVVVCYBLSA-FQRUVTKNSA-N 0 0 491.563 4.831 40 5 JJBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223704404 569920518 /nfs/dbraw/zinc/92/05/18/569920518.db2.gz NVYHXIZPMMDUTP-QHCPKHFHSA-N 0 0 471.623 4.860 40 5 JJBBRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223923048 569927471 /nfs/dbraw/zinc/92/74/71/569927471.db2.gz ZMGQZERBWWSFBU-AWEZNQCLSA-N 0 0 484.405 4.688 40 5 JJBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)cc1 ZINC000224026255 569931052 /nfs/dbraw/zinc/93/10/52/569931052.db2.gz YJBXQHFWLBWZNV-DNQXCXABSA-N 0 0 485.525 4.686 40 5 JJBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224113639 569933638 /nfs/dbraw/zinc/93/36/38/569933638.db2.gz CXSSFTUWJKCABF-AREMUKBSSA-N 0 0 473.573 4.612 40 5 JJBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224202131 569936300 /nfs/dbraw/zinc/93/63/00/569936300.db2.gz PJCCDPZYBUXMOH-RUZDIDTESA-N 0 0 493.991 4.957 40 5 JJBBRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224245675 569937983 /nfs/dbraw/zinc/93/79/83/569937983.db2.gz TULSRFHZLYSZBG-QGZVFWFLSA-N 0 0 478.014 4.671 40 5 JJBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224246964 569938000 /nfs/dbraw/zinc/93/80/00/569938000.db2.gz MKDDJNGTCZGMIL-VWLOTQADSA-N 0 0 493.991 4.957 40 5 JJBBRN CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224353923 569941683 /nfs/dbraw/zinc/94/16/83/569941683.db2.gz FXSILPCCDKHYNG-HNNXBMFYSA-N 0 0 466.365 4.634 40 5 JJBBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000224543117 569947748 /nfs/dbraw/zinc/94/77/48/569947748.db2.gz SCBALUMRGIJNRM-DNQXCXABSA-N 0 0 471.542 4.966 40 5 JJBBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 ZINC000224542809 569947786 /nfs/dbraw/zinc/94/77/86/569947786.db2.gz SCMCDXFAVUMZIU-RPWUZVMVSA-N 0 0 471.542 4.966 40 5 JJBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)cc1 ZINC000224614466 569950830 /nfs/dbraw/zinc/95/08/30/569950830.db2.gz HWHKZEBRZKKKIU-GOTSBHOMSA-N 0 0 457.515 4.663 40 5 JJBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1 ZINC000224614155 569950837 /nfs/dbraw/zinc/95/08/37/569950837.db2.gz KTWCBYQYVOWVOS-PKTZIBPZSA-N 0 0 457.515 4.663 40 5 JJBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224632306 569951588 /nfs/dbraw/zinc/95/15/88/569951588.db2.gz PYPIZPITZQWWBI-QHCPKHFHSA-N 0 0 471.623 4.716 40 5 JJBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224904580 569962685 /nfs/dbraw/zinc/96/26/85/569962685.db2.gz JOQHAYJPQFWKRQ-RUZDIDTESA-N 0 0 493.991 4.955 40 5 JJBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000408610633 569972477 /nfs/dbraw/zinc/97/24/77/569972477.db2.gz QUBFOBIPZKZSIH-UHFFFAOYSA-N 0 0 486.322 4.996 40 5 JJBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225128413 569976903 /nfs/dbraw/zinc/97/69/03/569976903.db2.gz LKMLFWRWPKBDGA-QGZVFWFLSA-N 0 0 457.958 4.657 40 5 JJBBRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225138810 569977508 /nfs/dbraw/zinc/97/75/08/569977508.db2.gz GGIKYDXGQCFZPV-QGZVFWFLSA-N 0 0 478.014 4.815 40 5 JJBBRN CCCOc1c(I)cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OC ZINC000408620874 569978052 /nfs/dbraw/zinc/97/80/52/569978052.db2.gz MRDLFHWKTMDJJH-UHFFFAOYSA-N 0 0 470.263 4.558 40 5 JJBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225173933 569980256 /nfs/dbraw/zinc/98/02/56/569980256.db2.gz NLKSAQQZYSLBPS-DLBZAZTESA-N 0 0 478.014 4.813 40 5 JJBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225285962 569988357 /nfs/dbraw/zinc/98/83/57/569988357.db2.gz BBLOSWSSMOTVSX-LSDHHAIUSA-N 0 0 466.365 4.776 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225315973 569990025 /nfs/dbraw/zinc/99/00/25/569990025.db2.gz QEIQSSIFWGGMKS-HUUCEWRRSA-N 0 0 466.365 4.776 40 5 JJBBRN Cc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C2)cc1C ZINC000408651649 569994417 /nfs/dbraw/zinc/99/44/17/569994417.db2.gz NRMBJCHUGNGUAP-QFIPXVFZSA-N 0 0 472.497 4.658 40 5 JJBBRN CC[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)C(=O)c1ccccc1 ZINC000408652949 569995266 /nfs/dbraw/zinc/99/52/66/569995266.db2.gz PHBBOYUAYBNNQN-ZJSXRUAMSA-N 0 0 472.497 4.819 40 5 JJBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225524481 570002416 /nfs/dbraw/zinc/00/24/16/570002416.db2.gz JOOIUKBIHPQIEB-RUZDIDTESA-N 0 0 491.613 4.523 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225529088 570002895 /nfs/dbraw/zinc/00/28/95/570002895.db2.gz VPOBLCZBPFDXRQ-AUSIDOKSSA-N 0 0 471.623 4.859 40 5 JJBBRN O=C(Nc1ccccc1C(F)(F)F)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408674105 570008937 /nfs/dbraw/zinc/00/89/37/570008937.db2.gz XLZYJOHUXGEBKT-UHFFFAOYSA-N 0 0 455.348 4.667 40 5 JJBBRN O=C(Nc1ccccc1C(F)(F)F)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000408673956 570008942 /nfs/dbraw/zinc/00/89/42/570008942.db2.gz WJIJKNZUMAJKIW-UHFFFAOYSA-N 0 0 455.348 4.667 40 5 JJBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225644061 570011899 /nfs/dbraw/zinc/01/18/99/570011899.db2.gz AUUAEIMUVHSSQX-HTAPYJJXSA-N 0 0 475.586 4.689 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225644034 570011928 /nfs/dbraw/zinc/01/19/28/570011928.db2.gz AUUAEIMUVHSSQX-VGOFRKELSA-N 0 0 475.586 4.689 40 5 JJBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408681263 570012588 /nfs/dbraw/zinc/01/25/88/570012588.db2.gz HNBSLZUQZVTZHM-CALCHBBNSA-N 0 0 476.316 4.634 40 5 JJBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408683537 570013245 /nfs/dbraw/zinc/01/32/45/570013245.db2.gz LNWCSNXDMKNCPP-GASCZTMLSA-N 0 0 476.316 4.634 40 5 JJBBRN Cc1ccc(C(=O)[C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408684191 570013488 /nfs/dbraw/zinc/01/34/88/570013488.db2.gz MYWPVAZSTVETLH-QHCPKHFHSA-N 0 0 451.500 4.510 40 5 JJBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000408685680 570013857 /nfs/dbraw/zinc/01/38/57/570013857.db2.gz PXTILKMHWSTYPL-VMDGZTHMSA-N 0 0 490.343 4.880 40 5 JJBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21 ZINC000408686830 570014175 /nfs/dbraw/zinc/01/41/75/570014175.db2.gz SHWHBSIBXZATIV-VOWSPCBNSA-N 0 0 488.327 4.656 40 5 JJBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 ZINC000408689526 570014914 /nfs/dbraw/zinc/01/49/14/570014914.db2.gz YKXPUWLBVVWSKN-YXKFXFPPSA-N 0 0 488.327 4.656 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1 ZINC000225787337 570021744 /nfs/dbraw/zinc/02/17/44/570021744.db2.gz IRPYIAPLCQDBIL-UHFFFAOYSA-N 0 0 489.962 4.782 40 5 JJBBRN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@@H]12 ZINC000408728373 570028516 /nfs/dbraw/zinc/02/85/16/570028516.db2.gz KOSXUJIUXXTRFN-ZKKFKWFVSA-N 0 0 489.325 4.928 40 5 JJBBRN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@@H]12 ZINC000408728372 570028538 /nfs/dbraw/zinc/02/85/38/570028538.db2.gz KOSXUJIUXXTRFN-YCIYHOANSA-N 0 0 489.325 4.928 40 5 JJBBRN O=C(N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000408737701 570030848 /nfs/dbraw/zinc/03/08/48/570030848.db2.gz NYFPALYHDISGDG-AREMUKBSSA-N 0 0 485.584 4.903 40 5 JJBBRN COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408831463 570052786 /nfs/dbraw/zinc/05/27/86/570052786.db2.gz ZQONPCSQZACOHT-SXGWCWSVSA-N 0 0 479.308 4.611 40 5 JJBBRN O=C(Oc1ccccc1/C=C1/N=C(c2ccc(Br)cc2)OC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408839542 570053498 /nfs/dbraw/zinc/05/34/98/570053498.db2.gz UHEBEAUXOAAIMA-CPNJWEJPSA-N 0 0 493.269 4.921 40 5 JJBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408922981 570077691 /nfs/dbraw/zinc/07/76/91/570077691.db2.gz DELXLIGPTUNQQL-UHFFFAOYSA-N 0 0 466.302 4.955 40 5 JJBBRN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408925332 570078303 /nfs/dbraw/zinc/07/83/03/570078303.db2.gz PGQMVSRXPHGVEK-NCELDCMTSA-N 0 0 491.569 4.949 40 5 JJBBRN Cc1ccc(S(=O)(=O)N[C@H](CC(=O)Nc2cc(C)c(C)c([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000408977023 570090148 /nfs/dbraw/zinc/09/01/48/570090148.db2.gz CDWVREHYGMGRJA-JOCHJYFZSA-N 0 0 467.547 4.568 40 5 JJBBRN Cn1c(=O)c2c(-c3c4ccccc4cc4ccccc43)c3c(nc2n(C)c1=O)-c1ccccc1[C@@H]3O ZINC000408979780 570090647 /nfs/dbraw/zinc/09/06/47/570090647.db2.gz CVZQJLILRFIAPK-MHZLTWQESA-N 0 0 471.516 4.668 40 5 JJBBRN COc1ccc(CCCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)o2)cc1C ZINC000409012990 570100163 /nfs/dbraw/zinc/10/01/63/570100163.db2.gz JONBTBUCGZMRCE-UHFFFAOYSA-N 0 0 456.524 4.509 40 5 JJBBRN CCOc1cc(CO)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409115148 570133757 /nfs/dbraw/zinc/13/37/57/570133757.db2.gz ISCDPUVJXWAJSR-UHFFFAOYSA-N 0 0 483.180 4.902 40 5 JJBBRN CCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409124318 570137240 /nfs/dbraw/zinc/13/72/40/570137240.db2.gz AYTKOUIKHVDTBP-UHFFFAOYSA-N 0 0 476.356 4.675 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)o1 ZINC000409155751 570150583 /nfs/dbraw/zinc/15/05/83/570150583.db2.gz MOLMYYWBOLATED-CIAFOILYSA-N 0 0 493.497 4.847 40 5 JJBBRN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O)Nc1ccc(Br)cc1 ZINC000409168120 570153933 /nfs/dbraw/zinc/15/39/33/570153933.db2.gz KHQRCRXSOGHHDC-NVNXTCNLSA-N 0 0 496.726 4.686 40 5 JJBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc(Br)c([N+](=O)[O-])c3)cc2)cc1 ZINC000409171594 570155108 /nfs/dbraw/zinc/15/51/08/570155108.db2.gz AMNOSOMMXIUDII-UHFFFAOYSA-N 0 0 498.285 4.925 40 5 JJBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl ZINC000409177650 570157656 /nfs/dbraw/zinc/15/76/56/570157656.db2.gz BMZZUMWTYNBJOB-FQEVSTJZSA-N 0 0 485.792 4.846 40 5 JJBBRN COc1cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409189914 570161654 /nfs/dbraw/zinc/16/16/54/570161654.db2.gz NMVVKEVOVVGQID-UNOMPAQXSA-N 0 0 478.844 4.821 40 5 JJBBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O ZINC000409210311 570169317 /nfs/dbraw/zinc/16/93/17/570169317.db2.gz JYXLFDGVEMXZOA-APSNUPSMSA-N 0 0 466.302 4.885 40 5 JJBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409226154 570175987 /nfs/dbraw/zinc/17/59/87/570175987.db2.gz SLNNZDFBTBIFAG-CIAFOILYSA-N 0 0 491.481 4.710 40 5 JJBBRN COCCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409236698 570180008 /nfs/dbraw/zinc/18/00/08/570180008.db2.gz GIVUIOYFMFTROF-XDHOZWIPSA-N 0 0 492.937 4.909 40 5 JJBBRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000408526889 570186233 /nfs/dbraw/zinc/18/62/33/570186233.db2.gz CSYVILRZCQKRHP-UHFFFAOYSA-N 0 0 496.328 4.720 40 5 JJBBRN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1NC(=O)c1cccc(Cl)c1 ZINC000408550053 570194868 /nfs/dbraw/zinc/19/48/68/570194868.db2.gz AYPDFKIFHJUSRO-UHFFFAOYSA-N 0 0 475.910 4.618 40 5 JJBBRN COc1cc(NC(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000408556395 570197391 /nfs/dbraw/zinc/19/73/91/570197391.db2.gz KFSWMBATUQSFDH-UHFFFAOYSA-N 0 0 464.425 4.810 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000409309364 570198850 /nfs/dbraw/zinc/19/88/50/570198850.db2.gz GAWYDPOQFBEDDR-UHFFFAOYSA-N 0 0 473.938 4.775 40 5 JJBBRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000409315614 570200060 /nfs/dbraw/zinc/20/00/60/570200060.db2.gz NVHBCZXAMGOOGM-HKOYGPOVSA-N 0 0 479.558 4.805 40 5 JJBBRN CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000408561589 570201178 /nfs/dbraw/zinc/20/11/78/570201178.db2.gz KBYWBMIRRMDLPN-XDOYNYLZSA-N 0 0 476.352 4.965 40 5 JJBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OC ZINC000408565471 570203296 /nfs/dbraw/zinc/20/32/96/570203296.db2.gz CAFGLNYQSAAGHX-QGZVFWFLSA-N 0 0 497.346 4.605 40 5 JJBBRN COc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(C)cc1 ZINC000408565692 570203423 /nfs/dbraw/zinc/20/34/23/570203423.db2.gz CTXIAFXNGBUKGK-GOSISDBHSA-N 0 0 463.357 4.765 40 5 JJBBRN COc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(C)cc1 ZINC000408565694 570203491 /nfs/dbraw/zinc/20/34/91/570203491.db2.gz CTXIAFXNGBUKGK-SFHVURJKSA-N 0 0 463.357 4.765 40 5 JJBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(OC)c(OC)cc2Cl)cc1 ZINC000408566372 570203704 /nfs/dbraw/zinc/20/37/04/570203704.db2.gz FMBVRUZUXDRFRD-FQEVSTJZSA-N 0 0 478.958 4.755 40 5 JJBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(OC)c(OC)cc2Cl)cc1 ZINC000408566376 570203781 /nfs/dbraw/zinc/20/37/81/570203781.db2.gz FMBVRUZUXDRFRD-HXUWFJFHSA-N 0 0 478.958 4.755 40 5 JJBBRN O=C(c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CCN(c2ccccc2)CC1 ZINC000409330941 570204216 /nfs/dbraw/zinc/20/42/16/570204216.db2.gz AXIWJPBGFJHPKN-UHFFFAOYSA-N 0 0 470.536 4.842 40 5 JJBBRN O=C(CSc1nc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000409331330 570204310 /nfs/dbraw/zinc/20/43/10/570204310.db2.gz AWHMKZJQOQSYHI-HUUCEWRRSA-N 0 0 496.570 4.615 40 5 JJBBRN O=C(CSc1nc2ccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000409331328 570204313 /nfs/dbraw/zinc/20/43/13/570204313.db2.gz AWHMKZJQOQSYHI-GASCZTMLSA-N 0 0 496.570 4.615 40 5 JJBBRN CN1C[C@H](c2ccc(OCc3cccc4ccccc43)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408570232 570204537 /nfs/dbraw/zinc/20/45/37/570204537.db2.gz ZXLCVJATWVFLRO-QXGAZULMSA-N 0 0 479.536 4.941 40 5 JJBBRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)c1 ZINC000408576332 570205914 /nfs/dbraw/zinc/20/59/14/570205914.db2.gz SJMWYRKWAJVXOP-UHFFFAOYSA-N 0 0 459.911 4.918 40 5 JJBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)Cc2ccc(Cl)cc2)cc1 ZINC000408588955 570208692 /nfs/dbraw/zinc/20/86/92/570208692.db2.gz XLKKCUDGNSGMDA-UHFFFAOYSA-N 0 0 487.965 4.695 40 5 JJBBRN CCCc1c(OC(=O)c2ccc([N+](=O)[O-])cc2)cccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001615701 194129523 /nfs/dbraw/zinc/12/95/23/194129523.db2.gz QZRUNVBDGPCQOX-UHFFFAOYSA-N 0 0 450.403 4.894 40 5 JJBBRN O=C(CSc1nnc(-c2ccc(O)cc2)n1-c1cccc(Cl)c1)Nc1ccccc1[N+](=O)[O-] ZINC000006445603 194427181 /nfs/dbraw/zinc/42/71/81/194427181.db2.gz VKORLRQWVAXCGG-UHFFFAOYSA-N 0 0 481.921 4.932 40 5 JJBBRN Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nnc2-c2cccnc2)cc1 ZINC000006280113 194422563 /nfs/dbraw/zinc/42/25/63/194422563.db2.gz HSNQTFKHJWCWEJ-UHFFFAOYSA-N 0 0 460.519 4.585 40 5 JJBBRN CCn1c(CNc2ccc(C)c(Cl)c2)nnc1S[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006878524 194435253 /nfs/dbraw/zinc/43/52/53/194435253.db2.gz XWMQVFOAPDHCTK-AWEZNQCLSA-N 0 0 474.974 4.899 40 5 JJBBRN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008831843 194484370 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HGJCFYCHROIOSC-UHFFFAOYSA-N 0 0 455.430 4.850 40 5 JJBBRN COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@H]2[N+](=O)[O-])cc1OC ZINC000002347286 554159603 /nfs/dbraw/zinc/15/96/03/554159603.db2.gz KMDKBKFJBUMUOR-MRLUPLGUSA-N 0 0 456.498 4.600 40 5 JJBBRN COc1ccccc1-n1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1 ZINC000006177099 554514742 /nfs/dbraw/zinc/51/47/42/554514742.db2.gz GHAYONMQFUXEFC-UHFFFAOYSA-N 0 0 461.503 4.582 40 5 JJBBRN CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1ccccc1Br ZINC000006878344 554559578 /nfs/dbraw/zinc/55/95/78/554559578.db2.gz KAFFFVGZQFDHDI-UHFFFAOYSA-N 0 0 476.356 4.675 40 5 JJBBRN COc1cc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc([N+](=O)[O-])c1 ZINC000006905952 554561549 /nfs/dbraw/zinc/56/15/49/554561549.db2.gz ILMNNALKIFBARA-UHFFFAOYSA-N 0 0 470.454 4.872 40 5 JJBBRN COC(=O)c1c(C)c(C(=O)Nc2cc(C)cc(C)c2)sc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000008445747 554595273 /nfs/dbraw/zinc/59/52/73/554595273.db2.gz VKHAPAIOTDEQKW-UHFFFAOYSA-N 0 0 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ZINC000020142864 555663882 /nfs/dbraw/zinc/66/38/82/555663882.db2.gz OFOLEDGCRIJYPY-UHFFFAOYSA-N 0 0 465.506 4.844 40 5 JJBBRN CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000014271222 555765464 /nfs/dbraw/zinc/76/54/64/555765464.db2.gz WUBALEFXTZXVFG-UHFFFAOYSA-N 0 0 452.492 4.576 40 5 JJBBRN COc1cc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1Cl ZINC000014273034 555771937 /nfs/dbraw/zinc/77/19/37/555771937.db2.gz YNIZXXSQLWUKLP-UHFFFAOYSA-N 0 0 455.854 4.770 40 5 JJBBRN O=C(Nc1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1)c1ccco1 ZINC000014274369 555776504 /nfs/dbraw/zinc/77/65/04/555776504.db2.gz GTARORFBFABXCZ-UHFFFAOYSA-N 0 0 493.545 4.557 40 5 JJBBRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000020528668 555792933 /nfs/dbraw/zinc/79/29/33/555792933.db2.gz WBKAEKPKVMGITB-JXMROGBWSA-N 0 0 470.957 4.595 40 5 JJBBRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2Cl)CC1 ZINC000020529022 555793793 /nfs/dbraw/zinc/79/37/93/555793793.db2.gz VYLBCQGWZNFNLD-UHFFFAOYSA-N 0 0 479.364 4.849 40 5 JJBBRN CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1C ZINC000014405539 555808007 /nfs/dbraw/zinc/80/80/07/555808007.db2.gz MQNZFWAVTBUHBK-UHFFFAOYSA-N 0 0 480.481 4.621 40 5 JJBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1cc(Cl)cc(Cl)c1 ZINC000022278250 555916011 /nfs/dbraw/zinc/91/60/11/555916011.db2.gz UHOLIJLKDVUSKW-UHFFFAOYSA-N 0 0 480.329 4.736 40 5 JJBBRN O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022569825 555937142 /nfs/dbraw/zinc/93/71/42/555937142.db2.gz ZGWHXOGMYRFZOD-UHFFFAOYSA-N 0 0 462.437 4.631 40 5 JJBBRN O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022569833 555937206 /nfs/dbraw/zinc/93/72/06/555937206.db2.gz LYZIKCOZOQTWCN-UHFFFAOYSA-N 0 0 462.437 4.631 40 5 JJBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cc(Br)ccc1Cl ZINC000022707847 555944345 /nfs/dbraw/zinc/94/43/45/555944345.db2.gz YPVYKUDLRDSHOV-UHFFFAOYSA-N 0 0 471.745 4.747 40 5 JJBBRN O=C(Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1)c1cccc(Cl)c1 ZINC000022717881 555947938 /nfs/dbraw/zinc/94/79/38/555947938.db2.gz FRNLKAOCIFYHME-UHFFFAOYSA-N 0 0 480.908 4.589 40 5 JJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)c(C)c1 ZINC000012492131 555988876 /nfs/dbraw/zinc/98/88/76/555988876.db2.gz MSBHWEIUYYWVJI-UHFFFAOYSA-N 0 0 459.911 4.918 40 5 JJBBRN CCOc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1Cl ZINC000016692360 556153733 /nfs/dbraw/zinc/15/37/33/556153733.db2.gz OQVZAOHJJWEGSB-UHFFFAOYSA-N 0 0 457.836 4.628 40 5 JJBBRN O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1CSCN1C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000016940579 556180903 /nfs/dbraw/zinc/18/09/03/556180903.db2.gz SWCOOTSCHYEYKI-QFIPXVFZSA-N 0 0 478.526 4.939 40 5 JJBBRN O=C1[C@H]2[C@H](ON(c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1 ZINC000017950166 556272436 /nfs/dbraw/zinc/27/24/36/556272436.db2.gz GJVYHXULAHPFTM-NJYVYQBISA-N 0 0 484.295 4.953 40 5 JJBBRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000019820569 556390251 /nfs/dbraw/zinc/39/02/51/556390251.db2.gz GHLHCNTYFJXKOP-BJKOFHAPSA-N 0 0 484.512 4.568 40 5 JJBBRN O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000032125036 556428729 /nfs/dbraw/zinc/42/87/29/556428729.db2.gz YTZKZBQXMWIBRT-YVLHZVERSA-N 0 0 450.925 4.569 40 5 JJBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000008690401 562953878 /nfs/dbraw/zinc/95/38/78/562953878.db2.gz RBQBUKRNKHGBTN-UHFFFAOYSA-N 0 0 460.874 4.570 40 5 JJBBRN CC1CCN(c2ccc(C(=O)Nc3ccc4nn(-c5ccc(F)cc5)nc4c3)cc2[N+](=O)[O-])CC1 ZINC000057313348 569596555 /nfs/dbraw/zinc/59/65/55/569596555.db2.gz AHNXTGKGAYHORT-UHFFFAOYSA-N 0 0 474.496 4.956 40 5 JJBBRN CC(C)C(=O)N1CCN(c2ccccc2NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000057313782 569596849 /nfs/dbraw/zinc/59/68/49/569596849.db2.gz KFJMSFULBHASOT-WYMLVPIESA-N 0 0 488.544 4.811 40 5 JJBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000057317312 569598591 /nfs/dbraw/zinc/59/85/91/569598591.db2.gz REGBOJWMHCEQBY-DUXPYHPUSA-N 0 0 478.229 4.820 40 5 JJBBRN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@H]12 ZINC000059433432 569603750 /nfs/dbraw/zinc/60/37/50/569603750.db2.gz MDTZQDXNDUZTLX-ZOVQAKDCSA-N 0 0 454.482 4.564 40 5 JJBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1cc(Cl)ccc1Cl)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 ZINC000059503344 569606392 /nfs/dbraw/zinc/60/63/92/569606392.db2.gz GULXCRZCHVOWIN-ZRDDSIGQSA-N 0 0 465.292 4.778 40 5 JJBBRN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1ccc([N+](=O)[O-])cc1Cl ZINC000033625643 569629114 /nfs/dbraw/zinc/62/91/14/569629114.db2.gz ALXBJORZQAZYOW-UHFFFAOYSA-N 0 0 456.241 4.955 40 5 JJBBRN CC[C@H](C)c1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1 ZINC000034887920 569669113 /nfs/dbraw/zinc/66/91/13/569669113.db2.gz GXVXYUGKHUNVJE-NRFANRHFSA-N 0 0 480.609 4.826 40 5 JJBBRN CCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000034896830 569669614 /nfs/dbraw/zinc/66/96/14/569669614.db2.gz BVUKKBPEJMCRFB-UHFFFAOYSA-N 0 0 453.476 4.548 40 5 JJBBRN O=C(NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccccc1[N+](=O)[O-] ZINC000035270364 569679204 /nfs/dbraw/zinc/67/92/04/569679204.db2.gz YIBAZBFSKLNJCR-UHFFFAOYSA-N 0 0 454.895 4.627 40 5 JJBBRN O=C(NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000035271028 569679331 /nfs/dbraw/zinc/67/93/31/569679331.db2.gz RLMNUQIJQGOVDR-UHFFFAOYSA-N 0 0 454.895 4.627 40 5 JJBBRN O=C(NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000035272012 569679338 /nfs/dbraw/zinc/67/93/38/569679338.db2.gz GKCOGAYKGCRVCH-UHFFFAOYSA-N 0 0 499.892 4.536 40 5 JJBBRN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3CSCN3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000035851892 569716772 /nfs/dbraw/zinc/71/67/72/569716772.db2.gz QPGZIVYPMJDZHQ-TTZMFTMZSA-N 0 0 485.565 4.722 40 5 JJBBRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)c(C)c1 ZINC000097955200 569747642 /nfs/dbraw/zinc/74/76/42/569747642.db2.gz BZPAHXGGPZOEPF-VABKMULXSA-N 0 0 477.904 4.916 40 5 JJBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000101143950 569784480 /nfs/dbraw/zinc/78/44/80/569784480.db2.gz PNRAUUFHWKLZIG-ACRUOGEOSA-N 0 0 484.295 4.953 40 5 JJBBRN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4cc([N+](=O)[O-])ccc4Cl)N(c4ccccc4)O[C@@H]3C2=O)c(C)c1 ZINC000101195300 569786826 /nfs/dbraw/zinc/78/68/26/569786826.db2.gz TXRMFAGOPOCSLU-VJBWXMMDSA-N 0 0 477.904 4.916 40 5 JJBBRN O=C1C(=Cc2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)NC(=S)N1C1CCCCC1 ZINC000039556221 569810257 /nfs/dbraw/zinc/81/02/57/569810257.db2.gz MZDJOFJFZSEPKL-HMAPJEAMSA-N 0 0 460.559 4.988 40 5 JJBBRN O=C1N/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N1Cc1ccccc1F ZINC000039556232 569810269 /nfs/dbraw/zinc/81/02/69/569810269.db2.gz RVWAPIQHDCSJTC-YDZHTSKRSA-N 0 0 470.460 4.830 40 5 JJBBRN O=C(Cc1ccccc1)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000039742279 569811137 /nfs/dbraw/zinc/81/11/37/569811137.db2.gz IHJXTVLJCQVSNK-UHFFFAOYSA-N 0 0 459.487 4.547 40 5 JJBBRN O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Cl)cc1 ZINC000039751035 569811403 /nfs/dbraw/zinc/81/14/03/569811403.db2.gz APEDPMRHLLSWKG-UHFFFAOYSA-N 0 0 463.837 4.803 40 5 JJBBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)C(=O)N1c1c(Cl)cccc1Cl ZINC000102708232 569816808 /nfs/dbraw/zinc/81/68/08/569816808.db2.gz ZZGDUMSFNPCPEV-SBHAEUEKSA-N 0 0 484.295 4.953 40 5 JJBBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc2ccccc21 ZINC000102732557 569818309 /nfs/dbraw/zinc/81/83/09/569818309.db2.gz RKRXFPUFHNLTPZ-SDHSZQHLSA-N 0 0 465.465 4.799 40 5 JJBBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102733484 569818442 /nfs/dbraw/zinc/81/84/42/569818442.db2.gz BNRPMTUMQDZPAK-HBMCJLEFSA-N 0 0 484.295 4.953 40 5 JJBBRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(OC(F)(F)F)cc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000102759801 569821848 /nfs/dbraw/zinc/82/18/48/569821848.db2.gz JQULETKQGCNLTD-ACRUOGEOSA-N 0 0 499.401 4.545 40 5 JJBBRN O=C1S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000106700882 569854796 /nfs/dbraw/zinc/85/47/96/569854796.db2.gz BPSSLQFZMARJIH-XRVIQIRUSA-N 0 0 453.259 4.867 40 5 JJBBRN O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106739178 569855347 /nfs/dbraw/zinc/85/53/47/569855347.db2.gz LZSNUOBWBIQQQR-NVNXTCNLSA-N 0 0 464.253 4.502 40 5 JJBBRN CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Br ZINC000106743223 569855440 /nfs/dbraw/zinc/85/54/40/569855440.db2.gz NCQMBWGLWOFYLN-YVLHZVERSA-N 0 0 463.309 4.993 40 5 JJBBRN Cc1c(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000108242594 569859224 /nfs/dbraw/zinc/85/92/24/569859224.db2.gz AOROLKQIOPIPKK-UHFFFAOYSA-N 0 0 465.959 4.519 40 5 JJBBRN O=C(NC(=S)Nc1cccc(NC(=O)c2ccco2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000108275855 569859381 /nfs/dbraw/zinc/85/93/81/569859381.db2.gz XLTTUUFQSSHCHZ-UHFFFAOYSA-N 0 0 476.470 4.827 40 5 JJBBRN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000197512327 569873667 /nfs/dbraw/zinc/87/36/67/569873667.db2.gz CWWLQLGRAZLWDB-MTJSOVHGSA-N 0 0 493.928 4.606 40 5 JJBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(C(C)C)cc2)cc1 ZINC000197792940 569873793 /nfs/dbraw/zinc/87/37/93/569873793.db2.gz KNAHVNTYYIRIGI-UHFFFAOYSA-N 0 0 467.547 4.861 40 5 JJBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222566168 569885920 /nfs/dbraw/zinc/88/59/20/569885920.db2.gz AGTYTJNLJDVIRE-WMZHIEFXSA-N 0 0 471.623 4.593 40 5 JJBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222826347 569892034 /nfs/dbraw/zinc/89/20/34/569892034.db2.gz YDHIPTWYTHPEJN-MRXNPFEDSA-N 0 0 478.014 4.813 40 5 JJBBRN C[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000222913160 569894229 /nfs/dbraw/zinc/89/42/29/569894229.db2.gz ZMHYVGCZYBYFDP-LJQANCHMSA-N 0 0 493.585 4.546 40 5 JJBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223030665 569897322 /nfs/dbraw/zinc/89/73/22/569897322.db2.gz AKHSZPQFZBLWQO-IRXDYDNUSA-N 0 0 478.014 4.813 40 5 JJBBRN CC[C@H](C(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223118458 569899955 /nfs/dbraw/zinc/89/99/55/569899955.db2.gz DRWMWNUKSUZXHG-XZOQPEGZSA-N 0 0 487.622 4.594 40 5 JJBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223263963 569905371 /nfs/dbraw/zinc/90/53/71/569905371.db2.gz SGFIMUXIYPDSIZ-LVXARBLLSA-N 0 0 473.573 4.692 40 5 JJBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223333277 569907923 /nfs/dbraw/zinc/90/79/23/569907923.db2.gz UENAUWWMDOKTGE-OAHLLOKOSA-N 0 0 466.365 4.778 40 5 JJBBRN Cc1cc(C)c([C@@H](C)NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1C ZINC000223408150 569910274 /nfs/dbraw/zinc/91/02/74/569910274.db2.gz VAXAZXWTXVWXEI-HXUWFJFHSA-N 0 0 481.574 4.593 40 5 JJBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)o2)cc1 ZINC000223482105 569912820 /nfs/dbraw/zinc/91/28/20/569912820.db2.gz ZNHSWNBXQMAYGM-GOTSBHOMSA-N 0 0 457.515 4.818 40 5 JJBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)o2)cc1 ZINC000223520059 569914429 /nfs/dbraw/zinc/91/44/29/569914429.db2.gz JUWPGSDDCXMDEH-DHIUTWEWSA-N 0 0 457.515 4.818 40 5 JJBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)o2)c1 ZINC000223519949 569914431 /nfs/dbraw/zinc/91/44/31/569914431.db2.gz LZKMVDOCLZUAQZ-XZOQPEGZSA-N 0 0 457.515 4.818 40 5 JJBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)o2)cc1 ZINC000223561052 569916087 /nfs/dbraw/zinc/91/60/87/569916087.db2.gz KVQDCOQSQNRDMC-DHIUTWEWSA-N 0 0 457.515 4.818 40 5 JJBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)o2)cc1 ZINC000223561108 569916113 /nfs/dbraw/zinc/91/61/13/569916113.db2.gz KVQDCOQSQNRDMC-PKTZIBPZSA-N 0 0 457.515 4.818 40 5 JJBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000223772977 569922802 /nfs/dbraw/zinc/92/28/02/569922802.db2.gz UMOBUZCVXAJGQZ-ZEQRLZLVSA-N 0 0 471.542 4.966 40 5 JJBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223943142 569927939 /nfs/dbraw/zinc/92/79/39/569927939.db2.gz WGWCPKQMFCIHKP-HNNXBMFYSA-N 0 0 478.376 4.920 40 5 JJBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224157904 569934849 /nfs/dbraw/zinc/93/48/49/569934849.db2.gz MQPDTFHDABXIDR-RUZDIDTESA-N 0 0 493.991 4.957 40 5 JJBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224160553 569934969 /nfs/dbraw/zinc/93/49/69/569934969.db2.gz DRYIFVPEPHJYGM-RUZDIDTESA-N 0 0 473.573 4.692 40 5 JJBBRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224209754 569936631 /nfs/dbraw/zinc/93/66/31/569936631.db2.gz YBMAIZNCRFTXPL-QGZVFWFLSA-N 0 0 478.014 4.671 40 5 JJBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224286193 569939383 /nfs/dbraw/zinc/93/93/83/569939383.db2.gz GZKMUHBSTAVIKG-OAQYLSRUSA-N 0 0 457.958 4.657 40 5 JJBBRN CC(C)CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224389769 569942966 /nfs/dbraw/zinc/94/29/66/569942966.db2.gz IYYQXCTVKVAHKW-HNNXBMFYSA-N 0 0 466.365 4.634 40 5 JJBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224392887 569943103 /nfs/dbraw/zinc/94/31/03/569943103.db2.gz CVTRDCJKRBVHND-RUZDIDTESA-N 0 0 491.563 4.831 40 5 JJBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224595090 569949955 /nfs/dbraw/zinc/94/99/55/569949955.db2.gz RDYIGASVNZZARS-QHCPKHFHSA-N 0 0 471.623 4.716 40 5 JJBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)cc1 ZINC000224614376 569950778 /nfs/dbraw/zinc/95/07/78/569950778.db2.gz HWHKZEBRZKKKIU-PKTZIBPZSA-N 0 0 457.515 4.663 40 5 JJBBRN O=[N+]([O-])c1cccnc1Sc1nnc(-c2cc(Br)ccc2O)n1-c1ccccc1 ZINC000408603848 569970147 /nfs/dbraw/zinc/97/01/47/569970147.db2.gz HLUHHEBNNAXQHS-UHFFFAOYSA-N 0 0 470.308 4.857 40 5 JJBBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)NC(=S)N1 ZINC000408605908 569971016 /nfs/dbraw/zinc/97/10/16/569971016.db2.gz NJTCGJBMYZLDEX-FQEVSTJZSA-N 0 0 468.922 4.940 40 5 JJBBRN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1Br ZINC000408606834 569971402 /nfs/dbraw/zinc/97/14/02/569971402.db2.gz QXXOXDPWYJVXGC-CSKARUKUSA-N 0 0 488.294 4.850 40 5 JJBBRN CCOc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(I)c1OCC ZINC000408618878 569977000 /nfs/dbraw/zinc/97/70/00/569977000.db2.gz HOZCFPHCIQSHIX-UHFFFAOYSA-N 0 0 470.263 4.558 40 5 JJBBRN CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(I)c1OCC ZINC000408625056 569979960 /nfs/dbraw/zinc/97/99/60/569979960.db2.gz WQURRVFYLMHQHA-UHFFFAOYSA-N 0 0 470.263 4.558 40 5 JJBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225174007 569980260 /nfs/dbraw/zinc/98/02/60/569980260.db2.gz NLKSAQQZYSLBPS-IRXDYDNUSA-N 0 0 478.014 4.813 40 5 JJBBRN Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)CC3=O)cc2)cc1C ZINC000408639791 569988540 /nfs/dbraw/zinc/98/85/40/569988540.db2.gz ZNGUPCNERJGYAR-FQEVSTJZSA-N 0 0 488.496 4.783 40 5 JJBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408640145 569988715 /nfs/dbraw/zinc/98/87/15/569988715.db2.gz AMIWUIOJNVBXSM-QGZVFWFLSA-N 0 0 494.887 4.820 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)CC1=O ZINC000408641169 569989264 /nfs/dbraw/zinc/98/92/64/569989264.db2.gz KYFYVAQRYGUAPH-QGZVFWFLSA-N 0 0 461.474 4.696 40 5 JJBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225316005 569990022 /nfs/dbraw/zinc/99/00/22/569990022.db2.gz QEIQSSIFWGGMKS-LSDHHAIUSA-N 0 0 466.365 4.776 40 5 JJBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)c1 ZINC000408644628 569990925 /nfs/dbraw/zinc/99/09/25/569990925.db2.gz HGHHGBYRKXAFOK-UHFFFAOYSA-N 0 0 475.432 4.753 40 5 JJBBRN COc1ccc([N+](=O)[O-])c(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 ZINC000408651139 569994145 /nfs/dbraw/zinc/99/41/45/569994145.db2.gz GOUAJSWHWZSZTG-SKGAXEKPSA-N 0 0 495.318 4.701 40 5 JJBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225460141 569997621 /nfs/dbraw/zinc/99/76/21/569997621.db2.gz RVMKGBHLGOBROV-AVRDEDQJSA-N 0 0 457.596 4.550 40 5 JJBBRN COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c([N+](=O)[O-])c1 ZINC000408667191 570005216 /nfs/dbraw/zinc/00/52/16/570005216.db2.gz VFEJILOKCBEXLF-JUJAOGAQSA-N 0 0 495.318 4.701 40 5 JJBBRN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000408674617 570009234 /nfs/dbraw/zinc/00/92/34/570009234.db2.gz AQNWMSHPGVVXDJ-UHFFFAOYSA-N 0 0 489.937 4.683 40 5 JJBBRN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2cccc([N+](=O)[O-])c2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000408680206 570012103 /nfs/dbraw/zinc/01/21/03/570012103.db2.gz FXTLYRABAXAEGA-QFIPXVFZSA-N 0 0 471.918 4.855 40 5 JJBBRN C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000408683308 570013170 /nfs/dbraw/zinc/01/31/70/570013170.db2.gz LCSUBGVNYBKRAK-ZNOIYHFQSA-N 0 0 490.343 4.880 40 5 JJBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000408683304 570013182 /nfs/dbraw/zinc/01/31/82/570013182.db2.gz LCSUBGVNYBKRAK-VMDGZTHMSA-N 0 0 490.343 4.880 40 5 JJBBRN C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 ZINC000408686601 570014171 /nfs/dbraw/zinc/01/41/71/570014171.db2.gz SDJZJUOIMPZGNJ-QBIMZIAESA-N 0 0 490.343 4.880 40 5 JJBBRN C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000408688347 570014591 /nfs/dbraw/zinc/01/45/91/570014591.db2.gz WAXSAJUNHQVCEJ-FSPWUOQZSA-N 0 0 490.343 4.880 40 5 JJBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1 ZINC000225864869 570025525 /nfs/dbraw/zinc/02/55/25/570025525.db2.gz ZOACRVQFTUAUSL-UHFFFAOYSA-N 0 0 471.922 4.642 40 5 JJBBRN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@H]12 ZINC000408728370 570028529 /nfs/dbraw/zinc/02/85/29/570028529.db2.gz KOSXUJIUXXTRFN-LQDNNDEMSA-N 0 0 489.325 4.928 40 5 JJBBRN CCOC(=O)C1=C(C)NC(SC)=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408732769 570029644 /nfs/dbraw/zinc/02/96/44/570029644.db2.gz YOXBWYRLKGKZGG-QFIPXVFZSA-N 0 0 485.562 4.773 40 5 JJBBRN O=C(Oc1cccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000408764507 570037702 /nfs/dbraw/zinc/03/77/02/570037702.db2.gz UGQRCAOVXQFTEL-NDENLUEZSA-N 0 0 493.269 4.921 40 5 JJBBRN O=C(Oc1ccccc1/C=C1/N=C(c2ccc([N+](=O)[O-])cc2)OC1=O)c1ccc(Br)cc1 ZINC000408838965 570053453 /nfs/dbraw/zinc/05/34/53/570053453.db2.gz KXDSPDNTSKSBCG-CPNJWEJPSA-N 0 0 493.269 4.921 40 5 JJBBRN CCOc1cc(/C=C2/N=C(Cc3ccccc3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408848310 570055087 /nfs/dbraw/zinc/05/50/87/570055087.db2.gz VSHQMWDMVAEPIT-KGENOOAVSA-N 0 0 472.453 4.752 40 5 JJBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000408877133 570061698 /nfs/dbraw/zinc/06/16/98/570061698.db2.gz SYWDEZOAGZYMIU-CHHVJCJISA-N 0 0 485.827 4.942 40 5 JJBBRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)c1 ZINC000408908626 570071547 /nfs/dbraw/zinc/07/15/47/570071547.db2.gz WUZLRRRQNGIAOT-UHFFFAOYSA-N 0 0 459.911 4.918 40 5 JJBBRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)cc1[N+](=O)[O-] ZINC000408919033 570076363 /nfs/dbraw/zinc/07/63/63/570076363.db2.gz RWBRMKJGXCXNHC-NFJKTXFASA-N 0 0 489.325 4.806 40 5 JJBBRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000408921947 570077546 /nfs/dbraw/zinc/07/75/46/570077546.db2.gz MAJVFHSMGLZGSM-UHFFFAOYSA-N 0 0 466.302 4.955 40 5 JJBBRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000408923124 570077838 /nfs/dbraw/zinc/07/78/38/570077838.db2.gz AAVKDWZTMYEICA-UHFFFAOYSA-N 0 0 485.587 4.884 40 5 JJBBRN O=C1S/C(=C\c2cc(Br)c(Br)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000408949309 570083856 /nfs/dbraw/zinc/08/38/56/570083856.db2.gz ATJXJVQUMORXMW-SDQBBNPISA-N 0 0 488.113 4.949 40 5 JJBBRN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 ZINC000408974702 570089486 /nfs/dbraw/zinc/08/94/86/570089486.db2.gz BZDMUROAICXDDP-UHFFFAOYSA-N 0 0 486.535 4.968 40 5 JJBBRN O=C(c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)N1CCN(c2ccccc2)CC1 ZINC000408977147 570090113 /nfs/dbraw/zinc/09/01/13/570090113.db2.gz VMRLARKDHSGRDQ-UHFFFAOYSA-N 0 0 470.536 4.842 40 5 JJBBRN CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2[C@@H]2OCCCN2Cc2ccccc2)C1 ZINC000253564580 570103759 /nfs/dbraw/zinc/10/37/59/570103759.db2.gz GRIMKADDUJTWRC-AMGIVPHBSA-N 0 0 480.609 4.601 40 5 JJBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2cc(Cl)ccc2C)cc1 ZINC000409025724 570104309 /nfs/dbraw/zinc/10/43/09/570104309.db2.gz ZQXHZQMQOAVBJK-UHFFFAOYSA-N 0 0 473.938 4.699 40 5 JJBBRN COc1ccc2[nH]cc(/C=C(/NC(=O)c3ccccc3)C(=O)Nc3ccc([N+](=O)[O-])cc3OC)c2c1 ZINC000254626393 570106056 /nfs/dbraw/zinc/10/60/56/570106056.db2.gz IGUSHPDNSUTQKX-FSJBWODESA-N 0 0 486.484 4.503 40 5 JJBBRN CCOC(=O)CN1C(=O)S/C(=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O ZINC000409046082 570108663 /nfs/dbraw/zinc/10/86/63/570108663.db2.gz IKNSIRBSHHTODB-CIAFOILYSA-N 0 0 479.514 4.506 40 5 JJBBRN COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409090961 570124864 /nfs/dbraw/zinc/12/48/64/570124864.db2.gz RXFWHBFAICQCEJ-RGVLZGJSSA-N 0 0 479.876 4.933 40 5 JJBBRN COCCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409139016 570143711 /nfs/dbraw/zinc/14/37/11/570143711.db2.gz LGOUPPAOTOAFPQ-WOJGMQOQSA-N 0 0 493.335 4.619 40 5 JJBBRN Cc1sc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)nc1-c1ccccc1 ZINC000409154021 570149988 /nfs/dbraw/zinc/14/99/88/570149988.db2.gz NGGCSSIUEAKWCO-UHFFFAOYSA-N 0 0 453.505 4.808 40 5 JJBBRN CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000409156120 570150627 /nfs/dbraw/zinc/15/06/27/570150627.db2.gz RWBPCVYHITWWNC-UHFFFAOYSA-N 0 0 469.567 4.948 40 5 JJBBRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2C)cc1[N+](=O)[O-] ZINC000409156697 570150809 /nfs/dbraw/zinc/15/08/09/570150809.db2.gz GSFDGVFARNGQCE-UHFFFAOYSA-N 0 0 452.323 4.736 40 5 JJBBRN Cc1ccccc1OCc1nn(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=S)o1 ZINC000409160614 570151930 /nfs/dbraw/zinc/15/19/30/570151930.db2.gz UWNNPTUBHSJZNH-UHFFFAOYSA-N 0 0 483.531 4.763 40 5 JJBBRN Cc1ccccc1OCc1nnc(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)o1 ZINC000409163038 570152610 /nfs/dbraw/zinc/15/26/10/570152610.db2.gz KZPPSKPDCFBLIX-UHFFFAOYSA-N 0 0 483.531 4.720 40 5 JJBBRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2CC)cc1 ZINC000409167376 570153681 /nfs/dbraw/zinc/15/36/81/570153681.db2.gz IPIGZFKKBHWKCA-INIZCTEOSA-N 0 0 469.567 4.948 40 5 JJBBRN Cc1ccccc1-c1nnc(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)n1C ZINC000409174538 570156293 /nfs/dbraw/zinc/15/62/93/570156293.db2.gz NEGGTLZBFCAVIK-UHFFFAOYSA-N 0 0 480.575 4.861 40 5 JJBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000409177718 570157760 /nfs/dbraw/zinc/15/77/60/570157760.db2.gz ICOGATFGENGHTH-BKUYFWCQSA-N 0 0 476.514 4.677 40 5 JJBBRN O=C(CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000409178291 570157978 /nfs/dbraw/zinc/15/79/78/570157978.db2.gz GIXXOKILZCWEAQ-UHFFFAOYSA-N 0 0 465.418 4.757 40 5 JJBBRN Cc1ccc(N2C(=O)c3ccc(C(=O)OCc4ccccc4[N+](=O)[O-])cc3C2=O)cc1Cl ZINC000409178499 570157989 /nfs/dbraw/zinc/15/79/89/570157989.db2.gz IXFGRMJDZSEYJB-UHFFFAOYSA-N 0 0 450.834 4.714 40 5 JJBBRN COc1ccc(NC(=O)CCC(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409180099 570158618 /nfs/dbraw/zinc/15/86/18/570158618.db2.gz PDPBXOBCJDXXMP-UHFFFAOYSA-N 0 0 450.447 4.858 40 5 JJBBRN O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1 ZINC000409180565 570158944 /nfs/dbraw/zinc/15/89/44/570158944.db2.gz WYWWWTFGDLALAK-XMMPIXPASA-N 0 0 450.422 4.620 40 5 JJBBRN CCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000261365495 570169092 /nfs/dbraw/zinc/16/90/92/570169092.db2.gz SSPONULGTDJFLR-NRFANRHFSA-O 0 0 486.961 4.504 40 5 JJBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O ZINC000409212247 570170468 /nfs/dbraw/zinc/17/04/68/570170468.db2.gz OZGWLKLGMAGAFD-DEDYPNTBSA-N 0 0 470.503 4.553 40 5 JJBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)c1 ZINC000409213210 570170881 /nfs/dbraw/zinc/17/08/81/570170881.db2.gz PCVDHTVVKJDVGO-NDENLUEZSA-N 0 0 490.497 4.766 40 5 JJBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O ZINC000409216049 570172444 /nfs/dbraw/zinc/17/24/44/570172444.db2.gz HNPQLQIKFYGTKB-LICLKQGHSA-N 0 0 464.883 4.888 40 5 JJBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409219597 570173940 /nfs/dbraw/zinc/17/39/40/570173940.db2.gz RZMWGNJZRPJXJM-BKUYFWCQSA-N 0 0 491.481 4.710 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)o1 ZINC000409224344 570175561 /nfs/dbraw/zinc/17/55/61/570175561.db2.gz KXZGESRUDNEVEO-CIAFOILYSA-N 0 0 464.455 4.783 40 5 JJBBRN O=C1N/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000409235035 570179257 /nfs/dbraw/zinc/17/92/57/570179257.db2.gz ARJDIDHAQCLOGO-OEAKJJBVSA-N 0 0 470.460 4.830 40 5 JJBBRN CCCN1C(=O)N/C(=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C1=O ZINC000409237288 570180287 /nfs/dbraw/zinc/18/02/87/570180287.db2.gz JHQLHVTVASCDEC-WOJGMQOQSA-N 0 0 459.886 4.529 40 5 JJBBRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329002399 570181115 /nfs/dbraw/zinc/18/11/15/570181115.db2.gz KHYIQMLGMVQVEV-SFHVURJKSA-N 0 0 495.433 5.262 40 5 JJBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409241762 570182204 /nfs/dbraw/zinc/18/22/04/570182204.db2.gz UQKPXHJQOTYRLW-OEAKJJBVSA-N 0 0 487.512 4.974 40 5 JJBBRN CC[C@H](C)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329033330 570182533 /nfs/dbraw/zinc/18/25/33/570182533.db2.gz QTQZQLSLPPLRLM-AWEZNQCLSA-N 0 0 461.444 4.617 40 5 JJBBRN O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1cccc(F)c1 ZINC000409243177 570182819 /nfs/dbraw/zinc/18/28/19/570182819.db2.gz ZNSDXXNBRJRCAX-ODLFYWEKSA-N 0 0 467.434 4.669 40 5 JJBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O ZINC000409244089 570183371 /nfs/dbraw/zinc/18/33/71/570183371.db2.gz XMZMPTZAYBWDOP-XDHOZWIPSA-N 0 0 494.891 4.602 40 5 JJBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O ZINC000409248340 570185100 /nfs/dbraw/zinc/18/51/00/570185100.db2.gz PYDVOEGABCWJKF-UDWIEESQSA-N 0 0 494.891 4.602 40 5 JJBBRN COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1NC(=O)c1cccc(Cl)c1 ZINC000408553940 570196091 /nfs/dbraw/zinc/19/60/91/570196091.db2.gz XNKCLKLDNVRPHS-UHFFFAOYSA-N 0 0 475.910 4.618 40 5 JJBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000408556175 570197301 /nfs/dbraw/zinc/19/73/01/570197301.db2.gz ICTNEXWIHPTQRW-UHFFFAOYSA-N 0 0 486.322 4.996 40 5 JJBBRN CN1C[C@H](c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565582 570203292 /nfs/dbraw/zinc/20/32/92/570203292.db2.gz LLYVMWQYYFOCPI-MQVPCNEGSA-N 0 0 481.911 4.580 40 5 JJBBRN CN1C[C@H](c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565576 570203388 /nfs/dbraw/zinc/20/33/88/570203388.db2.gz LLYVMWQYYFOCPI-DPQOWFAMSA-N 0 0 481.911 4.580 40 5 JJBBRN COc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1OC ZINC000408566350 570203775 /nfs/dbraw/zinc/20/37/75/570203775.db2.gz FKLRAMNLSKMZJZ-GOSISDBHSA-N 0 0 497.346 4.605 40 5 JJBBRN COc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1OC ZINC000408569114 570204407 /nfs/dbraw/zinc/20/44/07/570204407.db2.gz IWRVAEZGVMVFAI-LJQANCHMSA-N 0 0 493.383 4.774 40 5 JJBBRN CN1C[C@H](c2ccc(OCc3cccc4ccccc43)cc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408570230 570204558 /nfs/dbraw/zinc/20/45/58/570204558.db2.gz ZXLCVJATWVFLRO-PZFKOMAXSA-N 0 0 479.536 4.941 40 5 JJBBRN CCOC(=O)c1ccc(N2CCN(C(=O)COc3ccc(C4CCCCC4)cc3)CC2)c([N+](=O)[O-])c1 ZINC000408572090 570204917 /nfs/dbraw/zinc/20/49/17/570204917.db2.gz GRZDZVFPJXUALF-UHFFFAOYSA-N 0 0 495.576 4.547 40 5 JJBBRN CCOc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1OC ZINC000408573945 570205291 /nfs/dbraw/zinc/20/52/91/570205291.db2.gz UFIBRFYUJBSUTE-IBGZPJMESA-N 0 0 493.383 4.856 40 5 JJBBRN Cc1ccc(CN(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000408587761 570208420 /nfs/dbraw/zinc/20/84/20/570208420.db2.gz UJNAWGDPHIQZHQ-UHFFFAOYSA-N 0 0 487.965 4.695 40 5 JJBBRN CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000000797564 193914893 /nfs/dbraw/zinc/91/48/93/193914893.db2.gz RTJKTIGHDIHHAC-CQSZACIVSA-N 0 0 474.974 4.899 40 5 JJBBRN CCOc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(OCC)cc1NC(=O)c1cccs1 ZINC000000892312 193952899 /nfs/dbraw/zinc/95/28/99/193952899.db2.gz XFBDIJHQURQTQF-UHFFFAOYSA-N 0 0 455.492 4.958 40 5 JJBBRN O=C(NC1CCCCC1)c1cc2ccc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2oc1=O ZINC000001810915 194144762 /nfs/dbraw/zinc/14/47/62/194144762.db2.gz YOLMWFSVBZGFDB-UHFFFAOYSA-N 0 0 470.865 4.636 40 5 JJBBRN O=C(c1noc(-c2ccc(Cl)cc2)c1S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000003848869 194364664 /nfs/dbraw/zinc/36/46/64/194364664.db2.gz OJXQADZQTWXDLJ-UHFFFAOYSA-N 0 0 468.874 4.967 40 5 JJBBRN COc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1NC(=O)c1ccccc1Cl ZINC000008832314 194486001 /nfs/dbraw/zinc/48/60/01/194486001.db2.gz RQNBZPDEFDUPSL-UHFFFAOYSA-N 0 0 455.854 4.527 40 5 JJBBRN O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008832135 194485474 /nfs/dbraw/zinc/48/54/74/194485474.db2.gz CENHGCFYZVHEKQ-UHFFFAOYSA-N 0 0 462.437 4.631 40 5 JJBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000008901583 194493043 /nfs/dbraw/zinc/49/30/43/194493043.db2.gz VVDSEMMXPPIXRV-MDWZMJQESA-N 0 0 490.947 4.863 40 5 JJBBRN COc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000020611276 195184937 /nfs/dbraw/zinc/18/49/37/195184937.db2.gz PDXRZPBFKAXFKS-ONNFQVAWSA-N 0 0 463.881 4.951 40 5 JJBBRN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 ZINC000020611799 195185986 /nfs/dbraw/zinc/18/59/86/195185986.db2.gz AYYDNARGRJVIDT-UHFFFAOYSA-N 0 0 486.322 4.608 40 5 JJBBRN O=C1C[C@H](c2ccc(Cl)cc2)Cc2nc3nc(SCc4cccc([N+](=O)[O-])c4)nn3cc21 ZINC000020632602 195191557 /nfs/dbraw/zinc/19/15/57/195191557.db2.gz WNXWNZQLNHZPDI-OAHLLOKOSA-N 0 0 465.922 4.891 40 5 JJBBRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000021123769 195279850 /nfs/dbraw/zinc/27/98/50/195279850.db2.gz BGJXBKYTCGKOSG-UHFFFAOYSA-N 0 0 479.364 4.849 40 5 JJBBRN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]12 ZINC000059433397 195401737 /nfs/dbraw/zinc/40/17/37/195401737.db2.gz UQGXXJXBYVAYHD-PGAZUGQPSA-N 0 0 454.482 4.564 40 5 JJBBRN CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)o2)c1 ZINC000019929250 519735233 /nfs/dbraw/zinc/73/52/33/519735233.db2.gz VAVRPJNTVUZQMV-UHFFFAOYSA-N 0 0 482.305 4.641 40 5 JJBBRN COc1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3Br)c2)c([N+](=O)[O-])c1 ZINC000027260911 524644288 /nfs/dbraw/zinc/64/42/88/524644288.db2.gz RNMXQRQKZSDZJS-UHFFFAOYSA-N 0 0 470.279 4.871 40 5 JJBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccncc2)n1CCc1ccccc1 ZINC000012494881 525569536 /nfs/dbraw/zinc/56/95/36/525569536.db2.gz ALEBBVNYTHDZDP-UHFFFAOYSA-N 0 0 474.546 4.530 40 5 JJBBRN O=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3-c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)o2)cc1 ZINC000016450654 527344437 /nfs/dbraw/zinc/34/44/37/527344437.db2.gz SXQYYOVKEDHQAN-UHFFFAOYSA-N 0 0 456.374 4.937 40 5 JJBBRN O=[N+]([O-])c1ccc2c(c1)nc(SC[C@@H]1COc3ccccc3O1)n2C[C@H]1COc2ccccc2O1 ZINC000016525004 527379894 /nfs/dbraw/zinc/37/98/94/527379894.db2.gz VSXVRBNVULAKSU-ROUUACIJSA-N 0 0 491.525 4.717 40 5 JJBBRN O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000016429510 527459625 /nfs/dbraw/zinc/45/96/25/527459625.db2.gz REQSEDQQYCOLKR-UHFFFAOYSA-N 0 0 464.272 4.883 40 5 JJBBRN O=c1c2ccc3c(=O)n(CC[C@@H]4C=CCCC4)c(=O)c4ccc(c(=O)n1CC[C@@H]1C=CCCC1)c2c34 ZINC000020494365 527462511 /nfs/dbraw/zinc/46/25/11/527462511.db2.gz XIDBIBBOJQPMLX-WOJBJXKFSA-N 0 0 482.580 4.558 40 5 JJBBRN 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ZINC000013563296 555498184 /nfs/dbraw/zinc/49/81/84/555498184.db2.gz PUKZEZUPUAVYPT-UHFFFAOYSA-N 0 0 471.579 4.682 40 5 JJBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(C)cc2C)cc1 ZINC000019856494 555516003 /nfs/dbraw/zinc/51/60/03/555516003.db2.gz VCTGLWXHQDDXDR-UHFFFAOYSA-N 0 0 467.547 4.662 40 5 JJBBRN C[C@H]1C[C@H](N(C=O)c2ccccc2)c2ccccc2N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000013590356 555524840 /nfs/dbraw/zinc/52/48/40/555524840.db2.gz MJCNBFNMWQPNBC-HJPURHCSSA-N 0 0 460.446 4.646 40 5 JJBBRN COc1ccc(-c2ccc(C(=O)Nc3nc4c(cc([N+](=O)[O-])cc4OC)s3)o2)c([N+](=O)[O-])c1 ZINC000010010637 555592998 /nfs/dbraw/zinc/59/29/98/555592998.db2.gz HKXCYJSSOHKZFD-UHFFFAOYSA-N 0 0 470.419 4.642 40 5 JJBBRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c(Cl)c2)cc1 ZINC000020034795 555609488 /nfs/dbraw/zinc/60/94/88/555609488.db2.gz NEQVESDQECHFQG-UHFFFAOYSA-N 0 0 459.911 4.918 40 5 JJBBRN Cc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccccc4Cl)[C@@H]3C2=O)cc1 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555770798 /nfs/dbraw/zinc/77/07/98/555770798.db2.gz JFIXPIIXXIEPIB-UHFFFAOYSA-N 0 0 472.505 4.580 40 5 JJBBRN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)n2)cc1 ZINC000014274391 555776545 /nfs/dbraw/zinc/77/65/45/555776545.db2.gz NYCRKLBZYKMMDC-UHFFFAOYSA-N 0 0 497.602 4.844 40 5 JJBBRN COc1cc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)C(C)C ZINC000014276107 555782918 /nfs/dbraw/zinc/78/29/18/555782918.db2.gz GDYLUCBMELEJKX-UHFFFAOYSA-N 0 0 482.518 4.585 40 5 JJBBRN COc1ccc2oc(-c3cccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000014278096 555787755 /nfs/dbraw/zinc/78/77/55/555787755.db2.gz XNFMLWOPZXJPFN-UHFFFAOYSA-N 0 0 474.473 4.501 40 5 JJBBRN COc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000014278221 555787987 /nfs/dbraw/zinc/78/79/87/555787987.db2.gz CEEYXMNAUGMRJX-UHFFFAOYSA-N 0 0 474.473 4.501 40 5 JJBBRN CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1 ZINC000014279267 555790828 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556332330 /nfs/dbraw/zinc/33/23/30/556332330.db2.gz DNEZMGUSWIVYJY-UHFFFAOYSA-N 0 0 466.906 4.678 40 5 JJBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000030869149 556384461 /nfs/dbraw/zinc/38/44/61/556384461.db2.gz PJWQOCBEGYTKIU-UHFFFAOYSA-N 0 0 475.910 4.618 40 5 JJBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)N4CCCC4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000032124569 556427253 /nfs/dbraw/zinc/42/72/53/556427253.db2.gz SPDFVDIFPHCKLA-MOSHPQCFSA-N 0 0 483.571 4.713 40 5 JJBBRN O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1cccc(Br)c1 ZINC000032124837 556427859 /nfs/dbraw/zinc/42/78/59/556427859.db2.gz AZMZULBDQOUCQG-YVLHZVERSA-N 0 0 495.376 4.678 40 5 JJBBRN O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Br)cc1 ZINC000032124981 556428279 /nfs/dbraw/zinc/42/82/79/556428279.db2.gz RXGWVLZITKUEHK-YVLHZVERSA-N 0 0 495.376 4.678 40 5 JJBBRN CCc1nnc2sc(-c3cccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)nn12 ZINC000057316963 569598259 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569855337 /nfs/dbraw/zinc/85/53/37/569855337.db2.gz HWHVHDUNGDEBHS-IUXPMGMMSA-N 0 0 479.308 4.698 40 5 JJBBRN CCc1nnc2sc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)nn12 ZINC000107568946 569856562 /nfs/dbraw/zinc/85/65/62/569856562.db2.gz QSEBDBLDIAJULG-RMKNXTFCSA-N 0 0 468.926 4.937 40 5 JJBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000108246070 569859288 /nfs/dbraw/zinc/85/92/88/569859288.db2.gz NRICEDTUGVOCMT-CIAFOILYSA-N 0 0 494.481 4.790 40 5 JJBBRN COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1 ZINC000205686696 569874066 /nfs/dbraw/zinc/87/40/66/569874066.db2.gz HLTDNEWATOPPAZ-UDWIEESQSA-N 0 0 464.455 4.878 40 5 JJBBRN COC(=O)CN1C(=O)S/C(=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000205774018 569874291 /nfs/dbraw/zinc/87/42/91/569874291.db2.gz ZVGQCOYMPXXYBK-LZYBPNLTSA-N 0 0 482.392 4.615 40 5 JJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)N1CCCCC1 ZINC000205790094 569874384 /nfs/dbraw/zinc/87/43/84/569874384.db2.gz KBVBZVJZOPOKNQ-WOJGMQOQSA-N 0 0 475.910 4.557 40 5 JJBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OC ZINC000215252273 569877296 /nfs/dbraw/zinc/87/72/96/569877296.db2.gz IGDOFNMCZJXFBL-CXUHLZMHSA-N 0 0 479.308 4.611 40 5 JJBBRN C[C@@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000222913312 569894194 /nfs/dbraw/zinc/89/41/94/569894194.db2.gz IWSJSDYNBAYJQS-LJQANCHMSA-N 0 0 493.585 4.546 40 5 JJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223272163 569905706 /nfs/dbraw/zinc/90/57/06/569905706.db2.gz HYNDWSOPHDSHNE-QFIPXVFZSA-N 0 0 471.623 4.859 40 5 JJBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 ZINC000223397157 569909822 /nfs/dbraw/zinc/90/98/22/569909822.db2.gz YAAFOXMJLCKLOV-RPWUZVMVSA-N 0 0 455.543 4.953 40 5 JJBBRN Cc1cc(C)c([C@H](C)NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1C ZINC000223408201 569910272 /nfs/dbraw/zinc/91/02/72/569910272.db2.gz VAXAZXWTXVWXEI-FQEVSTJZSA-N 0 0 481.574 4.593 40 5 JJBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)o2)cc1 ZINC000223482070 569912841 /nfs/dbraw/zinc/91/28/41/569912841.db2.gz ZNHSWNBXQMAYGM-XZOQPEGZSA-N 0 0 457.515 4.818 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)o1 ZINC000223516249 569914289 /nfs/dbraw/zinc/91/42/89/569914289.db2.gz SOLCQEIMPBLNPH-RPWUZVMVSA-N 0 0 487.541 4.826 40 5 JJBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)o2)cc1 ZINC000223520162 569914445 /nfs/dbraw/zinc/91/44/45/569914445.db2.gz JUWPGSDDCXMDEH-XZOQPEGZSA-N 0 0 457.515 4.818 40 5 JJBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)o1 ZINC000223552563 569915743 /nfs/dbraw/zinc/91/57/43/569915743.db2.gz WVOYAYBDFLCEAE-PKTZIBPZSA-N 0 0 457.515 4.818 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223715197 569920898 /nfs/dbraw/zinc/92/08/98/569920898.db2.gz VWAYRGLNIPQXLC-FQRUVTKNSA-N 0 0 491.563 4.831 40 5 JJBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000223772836 569922792 /nfs/dbraw/zinc/92/27/92/569922792.db2.gz BTEFPWHNVSHJBB-BJKOFHAPSA-N 0 0 471.542 4.966 40 5 JJBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000223773157 569922801 /nfs/dbraw/zinc/92/28/01/569922801.db2.gz UMOBUZCVXAJGQZ-DNQXCXABSA-N 0 0 471.542 4.966 40 5 JJBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1 ZINC000223870348 569925738 /nfs/dbraw/zinc/92/57/38/569925738.db2.gz XDQIFGTVSVDHSN-XZOQPEGZSA-N 0 0 457.515 4.663 40 5 JJBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1 ZINC000224026125 569931041 /nfs/dbraw/zinc/93/10/41/569931041.db2.gz LLSOZVXTTZDPRZ-BJKOFHAPSA-N 0 0 485.525 4.686 40 5 JJBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)cc1 ZINC000224026356 569931045 /nfs/dbraw/zinc/93/10/45/569931045.db2.gz YJBXQHFWLBWZNV-BJKOFHAPSA-N 0 0 485.525 4.686 40 5 JJBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224069287 569932334 /nfs/dbraw/zinc/93/23/34/569932334.db2.gz DCHHMHPZQNOFGE-AREMUKBSSA-N 0 0 473.573 4.612 40 5 JJBBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000224578347 569949304 /nfs/dbraw/zinc/94/93/04/569949304.db2.gz WNBQHOSZQZPBHW-DNQXCXABSA-N 0 0 471.542 4.966 40 5 JJBBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000224578462 569949308 /nfs/dbraw/zinc/94/93/08/569949308.db2.gz ZYLSVSMLNBVQHW-RPWUZVMVSA-N 0 0 471.542 4.966 40 5 JJBBRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224765745 569956699 /nfs/dbraw/zinc/95/66/99/569956699.db2.gz JKCPRQDFNKVXKO-MHZLTWQESA-N 0 0 485.584 4.836 40 5 JJBBRN CCCC[C@@H](CC)CNC(=O)c1ccc(CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000224821571 569959215 /nfs/dbraw/zinc/95/92/15/569959215.db2.gz VIWBGAZSMLCVDL-GOSISDBHSA-N 0 0 461.584 4.507 40 5 JJBBRN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224828396 569959462 /nfs/dbraw/zinc/95/94/62/569959462.db2.gz FZQDLHGDNVHPDJ-UHFFFAOYSA-N 0 0 497.573 4.683 40 5 JJBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224849538 569960310 /nfs/dbraw/zinc/96/03/10/569960310.db2.gz MNQZOXDHIDJLCD-VWLOTQADSA-N 0 0 493.991 4.955 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc2c(c1)oc1ccccc12)S(C)(=O)=O ZINC000224854518 569960386 /nfs/dbraw/zinc/96/03/86/569960386.db2.gz ZGUFLSJZJMJTLB-UHFFFAOYSA-N 0 0 481.530 4.988 40 5 JJBBRN COc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224956621 569965031 /nfs/dbraw/zinc/96/50/31/569965031.db2.gz XKDZMHJEZIUGHZ-LJQANCHMSA-N 0 0 499.633 4.703 40 5 JJBBRN CCn1c(COc2cccc3ccccc32)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000408594576 569965661 /nfs/dbraw/zinc/96/56/61/569965661.db2.gz IMTXWJPBNMTEGP-UHFFFAOYSA-N 0 0 493.545 4.678 40 5 JJBBRN COc1ccc(NC(=O)COc2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])cc2OC)cc1Cl ZINC000408606822 569971380 /nfs/dbraw/zinc/97/13/80/569971380.db2.gz QNZQUDUUUORAHW-VMPITWQZSA-N 0 0 473.869 4.750 40 5 JJBBRN CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(F)c(F)c1F ZINC000408607480 569971451 /nfs/dbraw/zinc/97/14/51/569971451.db2.gz SOAQLOQYVBHTHT-WEVVVXLNSA-N 0 0 477.395 4.895 40 5 JJBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225125088 569976461 /nfs/dbraw/zinc/97/64/61/569976461.db2.gz NEUIGRUYROYXRD-HSZRJFAPSA-N 0 0 497.592 4.547 40 5 JJBBRN Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408619024 569977173 /nfs/dbraw/zinc/97/71/73/569977173.db2.gz HPECFSNJAAMJKU-UHFFFAOYSA-N 0 0 479.436 4.975 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225136215 569977243 /nfs/dbraw/zinc/97/72/43/569977243.db2.gz MFAPYMLJIIKLDM-IAGOWNOFSA-N 0 0 478.014 4.813 40 5 JJBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225152327 569978334 /nfs/dbraw/zinc/97/83/34/569978334.db2.gz XZEZUUFEPBWCNS-SFHVURJKSA-N 0 0 487.597 4.833 40 5 JJBBRN CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]12 ZINC000408623246 569979240 /nfs/dbraw/zinc/97/92/40/569979240.db2.gz RHKFIMMSMUWTAI-URFUVCHWSA-N 0 0 458.901 4.993 40 5 JJBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225195627 569981753 /nfs/dbraw/zinc/98/17/53/569981753.db2.gz POBWUHGNRHOQPK-OAQYLSRUSA-N 0 0 478.014 4.815 40 5 JJBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225251150 569985920 /nfs/dbraw/zinc/98/59/20/569985920.db2.gz KRLYNPRBTBCAIC-LSDHHAIUSA-N 0 0 466.365 4.776 40 5 JJBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408640142 569988704 /nfs/dbraw/zinc/98/87/04/569988704.db2.gz AMIWUIOJNVBXSM-KRWDZBQOSA-N 0 0 494.887 4.820 40 5 JJBBRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)c(Cl)c3C)CC2=O)cc1[N+](=O)[O-] ZINC000408642676 569989850 /nfs/dbraw/zinc/98/98/50/569989850.db2.gz PJNIUYFAPOVPSZ-LBPRGKRZSA-N 0 0 466.719 4.619 40 5 JJBBRN Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C2)cc1 ZINC000408647613 569992411 /nfs/dbraw/zinc/99/24/11/569992411.db2.gz JNWPWFJEMYJKRT-GCJKJVERSA-N 0 0 472.497 4.738 40 5 JJBBRN Cc1cccc(C)c1Oc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000408648069 569992580 /nfs/dbraw/zinc/99/25/80/569992580.db2.gz XELIOIBYLMYVNJ-UHFFFAOYSA-N 0 0 491.500 4.905 40 5 JJBBRN CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccccc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408654512 569996180 /nfs/dbraw/zinc/99/61/80/569996180.db2.gz QRYDJLUHXSTKFL-LJQANCHMSA-N 0 0 491.887 4.563 40 5 JJBBRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)c(C)c2)cc1C ZINC000408675421 570010328 /nfs/dbraw/zinc/01/03/28/570010328.db2.gz YLLXWLMQQGCEIM-UHFFFAOYSA-N 0 0 483.546 4.647 40 5 JJBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]21 ZINC000408680470 570012203 /nfs/dbraw/zinc/01/22/03/570012203.db2.gz GHOONJYGIIHUAT-VOWSPCBNSA-N 0 0 488.327 4.656 40 5 JJBBRN CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000408682110 570012773 /nfs/dbraw/zinc/01/27/73/570012773.db2.gz IVUPDHHWORSRSH-OALUTQOASA-N 0 0 488.327 4.800 40 5 JJBBRN CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000408682112 570012780 /nfs/dbraw/zinc/01/27/80/570012780.db2.gz IVUPDHHWORSRSH-RTBURBONSA-N 0 0 488.327 4.800 40 5 JJBBRN Cc1ccc(C(=O)C[C@H](C(=O)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408684833 570013669 /nfs/dbraw/zinc/01/36/69/570013669.db2.gz OFMATHVFAVTHLS-HSZRJFAPSA-N 0 0 451.500 4.510 40 5 JJBBRN Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000225747576 570019700 /nfs/dbraw/zinc/01/97/00/570019700.db2.gz PSIXVVVRMPRVLM-HHHXNRCGSA-N 0 0 487.600 4.858 40 5 JJBBRN Cc1c(F)cccc1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 ZINC000408739115 570031372 /nfs/dbraw/zinc/03/13/72/570031372.db2.gz XQAKIDNOYSACCH-JOCHJYFZSA-N 0 0 451.454 4.519 40 5 JJBBRN O=C(Oc1ccc(Br)cc1/C=C1/N=C(c2ccccc2)OC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408839321 570053361 /nfs/dbraw/zinc/05/33/61/570053361.db2.gz QQFIYONWTDFOPO-CPNJWEJPSA-N 0 0 493.269 4.921 40 5 JJBBRN O=C(Oc1ccc(Br)cc1/C=C1/N=C(c2ccco2)OC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408840838 570053626 /nfs/dbraw/zinc/05/36/26/570053626.db2.gz CEEWAYYABOBYRP-LFIBNONCSA-N 0 0 483.230 4.514 40 5 JJBBRN CCOc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1ccc(OC)cc1 ZINC000408843605 570054075 /nfs/dbraw/zinc/05/40/75/570054075.db2.gz MKNXDVFWKPOLNN-KGENOOAVSA-N 0 0 488.452 4.566 40 5 JJBBRN O=C(CN1C(=O)S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1ccc(F)cc1 ZINC000408877994 570061991 /nfs/dbraw/zinc/06/19/91/570061991.db2.gz ZSVLIKWXKIRPOW-ODLFYWEKSA-N 0 0 467.434 4.669 40 5 JJBBRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc1[N+](=O)[O-] ZINC000408906839 570071013 /nfs/dbraw/zinc/07/10/13/570071013.db2.gz IYMYLJWYNHPNCV-UHFFFAOYSA-N 0 0 459.911 4.918 40 5 JJBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-])C1(Cl)c3ccccc3C2c2ccccc21 ZINC000408918102 570076061 /nfs/dbraw/zinc/07/60/61/570076061.db2.gz GDSJCFRXKMWSCH-YQORSWRPSA-N 0 0 465.292 4.995 40 5 JJBBRN Cc1cc(Br)c(Nc2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(CCCO)C4=O)cc1C ZINC000408992346 570094516 /nfs/dbraw/zinc/09/45/16/570094516.db2.gz AKBXCMXLEWXFEM-UHFFFAOYSA-N 0 0 498.333 4.849 40 5 JJBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2cccc(Cl)c2C)cc1 ZINC000409027379 570104929 /nfs/dbraw/zinc/10/49/29/570104929.db2.gz BTHAMEVFXHBEMN-UHFFFAOYSA-N 0 0 473.938 4.699 40 5 JJBBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O ZINC000409099748 570128017 /nfs/dbraw/zinc/12/80/17/570128017.db2.gz TXLOINQCFWYUFR-SRZZPIQSSA-N 0 0 479.514 4.586 40 5 JJBBRN Cn1c(SCC(=O)Nc2ccc(Cl)c(Br)c2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409122653 570136464 /nfs/dbraw/zinc/13/64/64/570136464.db2.gz AQIQAUVQQBRRPK-UHFFFAOYSA-N 0 0 482.747 4.537 40 5 JJBBRN COCCN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000409123514 570136835 /nfs/dbraw/zinc/13/68/35/570136835.db2.gz CHROWXBKQHWZQH-WOJGMQOQSA-N 0 0 493.335 4.619 40 5 JJBBRN COCCN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409128220 570138972 /nfs/dbraw/zinc/13/89/72/570138972.db2.gz RXVVZHYDRCSTFX-WOJGMQOQSA-N 0 0 493.335 4.619 40 5 JJBBRN CCc1cccc(CC)c1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000409130082 570139693 /nfs/dbraw/zinc/13/96/93/570139693.db2.gz LTSREAFIRYIARB-UHFFFAOYSA-N 0 0 467.547 4.554 40 5 JJBBRN CCc1cccc(CC)c1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409140686 570144499 /nfs/dbraw/zinc/14/44/99/570144499.db2.gz HXEMOIIZEMMCTQ-UHFFFAOYSA-N 0 0 467.547 4.554 40 5 JJBBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000409153950 570149949 /nfs/dbraw/zinc/14/99/49/570149949.db2.gz OEIQWTDONPXALC-UDWIEESQSA-N 0 0 463.471 4.838 40 5 JJBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 ZINC000409167151 570153673 /nfs/dbraw/zinc/15/36/73/570153673.db2.gz HPEYYPCNNVLNAH-UDWIEESQSA-N 0 0 479.470 4.538 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@H](C)Oc2ccccc2Cl)n1C ZINC000409173001 570155645 /nfs/dbraw/zinc/15/56/45/570155645.db2.gz HCKHPPSXWMSFSZ-ZDUSSCGKSA-N 0 0 461.931 4.556 40 5 JJBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1Cl ZINC000409173389 570155730 /nfs/dbraw/zinc/15/57/30/570155730.db2.gz LVAZAQIMTCDMOI-APSNUPSMSA-N 0 0 466.302 4.885 40 5 JJBBRN O=C(COC(=O)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc2ccccc2c1 ZINC000409178402 570157972 /nfs/dbraw/zinc/15/79/72/570157972.db2.gz HHKPYQUXMJRHBS-UHFFFAOYSA-N 0 0 480.432 4.588 40 5 JJBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cccc3ccccc31)C2=O ZINC000409180468 570158940 /nfs/dbraw/zinc/15/89/40/570158940.db2.gz TZBLDBWYXLGHKO-UHFFFAOYSA-N 0 0 452.422 4.906 40 5 JJBBRN O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000409182026 570159680 /nfs/dbraw/zinc/15/96/80/570159680.db2.gz HPNCDMOGVYOVDI-UHFFFAOYSA-N 0 0 475.478 4.621 40 5 JJBBRN COc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000409188620 570161277 /nfs/dbraw/zinc/16/12/77/570161277.db2.gz IBNFWNIOFWIMRA-WYVXAZLOSA-N 0 0 484.464 4.875 40 5 JJBBRN COc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)/C=C/c1ccccc1 ZINC000409189173 570161322 /nfs/dbraw/zinc/16/13/22/570161322.db2.gz DXCVLMYNSUFYMN-KMEREPAUSA-N 0 0 470.437 4.567 40 5 JJBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409193509 570162752 /nfs/dbraw/zinc/16/27/52/570162752.db2.gz DYQMMRBASLCMJL-KGENOOAVSA-N 0 0 473.485 4.665 40 5 JJBBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O ZINC000409199245 570164600 /nfs/dbraw/zinc/16/46/00/570164600.db2.gz ANAHUJYIKBVIGG-NDENLUEZSA-N 0 0 490.497 4.766 40 5 JJBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)C1=O ZINC000409201514 570165504 /nfs/dbraw/zinc/16/55/04/570165504.db2.gz LUGZYQJCNNQYMI-UZPSYVQNSA-N 0 0 458.492 4.850 40 5 JJBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409231768 570178047 /nfs/dbraw/zinc/17/80/47/570178047.db2.gz MDGMKYJSZQBQSI-LPYMAVHISA-N 0 0 473.485 4.584 40 5 JJBBRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)cc1 ZINC000409235629 570179650 /nfs/dbraw/zinc/17/96/50/570179650.db2.gz COFUMJNAGWJQBU-UDWIEESQSA-N 0 0 474.429 4.697 40 5 JJBBRN CC[C@H](C)Nc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329015405 570181781 /nfs/dbraw/zinc/18/17/81/570181781.db2.gz NAQSVQWAKGYRPN-LBPRGKRZSA-N 0 0 465.407 4.887 40 5 JJBBRN CC[C@@H](C)Nc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329015403 570181793 /nfs/dbraw/zinc/18/17/93/570181793.db2.gz NAQSVQWAKGYRPN-GFCCVEGCSA-N 0 0 465.407 4.887 40 5 JJBBRN COCCCN1C(=O)S/C(=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409244795 570183553 /nfs/dbraw/zinc/18/35/53/570183553.db2.gz IWGQUBXAJLZFPG-XDHOZWIPSA-N 0 0 492.937 4.909 40 5 JJBBRN CCc1ccccc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000409309453 570198822 /nfs/dbraw/zinc/19/88/22/570198822.db2.gz HNIBIHVVPLORDF-UHFFFAOYSA-N 0 0 467.547 4.608 40 5 JJBBRN COc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1OC ZINC000408567619 570204124 /nfs/dbraw/zinc/20/41/24/570204124.db2.gz GZNVXAKASUCSGX-LJQANCHMSA-N 0 0 493.383 4.774 40 5 JJBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OC)cc1 ZINC000408571013 570204627 /nfs/dbraw/zinc/20/46/27/570204627.db2.gz MSXHALUUQCFAMN-LJQANCHMSA-N 0 0 493.383 4.856 40 5 JJBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)c([N+](=O)[O-])c1 ZINC000408575196 570205628 /nfs/dbraw/zinc/20/56/28/570205628.db2.gz SMQWRROOGPEDTC-UHFFFAOYSA-N 0 0 483.908 4.647 40 5 JJBBRN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)ccc1[N+](=O)[O-] ZINC000408575265 570205629 /nfs/dbraw/zinc/20/56/29/570205629.db2.gz IKSGMAAHBCSARL-UHFFFAOYSA-N 0 0 490.335 4.719 40 5 JJBBRN Cc1c(NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000408585436 570207994 /nfs/dbraw/zinc/20/79/94/570207994.db2.gz DSAVJBRQVKMUCG-UHFFFAOYSA-N 0 0 491.928 4.525 40 5 JJBBRN O=c1cc(CSc2nnc(COc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c2ccccc2[nH]1 ZINC000000876244 193939601 /nfs/dbraw/zinc/93/96/01/193939601.db2.gz DSOMRDMKUDXCAQ-UHFFFAOYSA-N 0 0 485.525 4.888 40 5 JJBBRN Cc1ccc(-n2c(CNc3ccc(F)cc3)nnc2SCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000006280180 194422534 /nfs/dbraw/zinc/42/25/34/194422534.db2.gz RYHJSCBWIUSFLJ-UHFFFAOYSA-N 0 0 492.536 4.966 40 5 JJBBRN Cc1c(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000021123822 195279893 /nfs/dbraw/zinc/27/98/93/195279893.db2.gz SYTGUVXNKPVJPM-UHFFFAOYSA-N 0 0 458.946 4.504 40 5 JJBBRN Cc1cc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000021124315 195280127 /nfs/dbraw/zinc/28/01/27/195280127.db2.gz HYQPIXHWTZZZFQ-UHFFFAOYSA-N 0 0 458.946 4.504 40 5 JJBBRN O=C(Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000021576161 195315052 /nfs/dbraw/zinc/31/50/52/195315052.db2.gz BUHZAQBUVSXCKY-UHFFFAOYSA-N 0 0 470.485 4.556 40 5 JJBBRN Cc1cc(C(=O)Nc2ccc(N3CCN(C(=O)c4cc5ccccc5o4)CC3)cc2)ccc1[N+](=O)[O-] ZINC000021576181 195315055 /nfs/dbraw/zinc/31/50/55/195315055.db2.gz LTFGVNSTARGPKF-UHFFFAOYSA-N 0 0 484.512 4.864 40 5 JJBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1cc(C)cc(C)c1 ZINC000102921388 130393118 /nfs/dbraw/zinc/39/31/18/130393118.db2.gz QSFRDQUESRDNMT-GKPLWNPISA-N 0 0 498.583 4.689 40 5 JJBBRN CC(C)(C)C(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN12 ZINC000008970948 518594772 /nfs/dbraw/zinc/59/47/72/518594772.db2.gz RKCPGGHAUZDUES-YSTOQKLRSA-N 0 0 456.340 4.566 40 5 JJBBRN CC1=NN(c2ccccc2)C(=O)[C@@]12C(c1ccccc1[N+](=O)[O-])[C@]21C(C)=NN(c2ccccc2)C1=O ZINC000016607520 520897250 /nfs/dbraw/zinc/89/72/50/520897250.db2.gz VITOVSAHCTYVSZ-SVBPBHIXSA-N 0 0 479.496 4.510 40 5 JJBBRN CC1CCN(c2ccc(C(=O)NC(=S)Nc3cccc(-c4ccc(CO)o4)c3)cc2[N+](=O)[O-])CC1 ZINC000020153115 521038738 /nfs/dbraw/zinc/03/87/38/521038738.db2.gz DUDJXJGWUQLJTR-UHFFFAOYSA-N 0 0 494.573 4.710 40 5 JJBBRN COc1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 ZINC000006157212 523260773 /nfs/dbraw/zinc/26/07/73/523260773.db2.gz WDTSSHXWRYWXJG-UHFFFAOYSA-N 0 0 461.503 4.582 40 5 JJBBRN COc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000006136528 524516221 /nfs/dbraw/zinc/51/62/21/524516221.db2.gz MAWVVVLZPIIOQT-UHFFFAOYSA-N 0 0 475.530 4.506 40 5 JJBBRN Cc1cc(C2=N/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C(=O)O2)ccc1Br ZINC000016282108 524603932 /nfs/dbraw/zinc/60/39/32/524603932.db2.gz HYZNQSISPULHFM-AUWJEWJLSA-N 0 0 466.085 4.773 40 5 JJBBRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cccc([N+](=O)[O-])c3C)c2)cc1 ZINC000020453439 525604534 /nfs/dbraw/zinc/60/45/34/525604534.db2.gz KJAUAERORSJCPI-UHFFFAOYSA-N 0 0 459.911 4.918 40 5 JJBBRN O=[N+]([O-])c1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccc([N+](=O)[O-])cc5)o4)cc3)o2)cc1 ZINC000016429751 527344506 /nfs/dbraw/zinc/34/45/06/527344506.db2.gz AZPBFUBMDJCSAN-UHFFFAOYSA-N 0 0 456.374 4.937 40 5 JJBBRN O=[N+]([O-])c1ccc2c(c1)nc(SC[C@H]1COc3ccccc3O1)n2C[C@@H]1COc2ccccc2O1 ZINC000016525006 527380387 /nfs/dbraw/zinc/38/03/87/527380387.db2.gz VSXVRBNVULAKSU-QZTJIDSGSA-N 0 0 491.525 4.717 40 5 JJBBRN O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000016399969 527460029 /nfs/dbraw/zinc/46/00/29/527460029.db2.gz GLJRPQZQIBPKTM-UHFFFAOYSA-N 0 0 463.471 4.734 40 5 JJBBRN O=C(Nc1nc2c(cc(Br)cc2Br)s1)c1ccccc1[N+](=O)[O-] ZINC000020494756 527509661 /nfs/dbraw/zinc/50/96/61/527509661.db2.gz NHCADIZKJHQVQS-UHFFFAOYSA-N 0 0 457.103 4.982 40 5 JJBBRN O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)Nc1cccc2ccccc21 ZINC000016545003 527520893 /nfs/dbraw/zinc/52/08/93/527520893.db2.gz RAYBCVJZMHJGAP-UHFFFAOYSA-N 0 0 454.489 4.681 40 5 JJBBRN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2-c2ccccc2)cc1 ZINC000000863635 553803796 /nfs/dbraw/zinc/80/37/96/553803796.db2.gz FHPOBTXBLCDPHU-UHFFFAOYSA-N 0 0 475.530 4.890 40 5 JJBBRN CCCCNc1ccc(S(=O)(=O)c2ccc(NCCCC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000005011553 554485453 /nfs/dbraw/zinc/48/54/53/554485453.db2.gz LCARYSLQNKYTLH-UHFFFAOYSA-N 0 0 450.517 4.760 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccc(O)cc2)n1-c1ccccc1 ZINC000006280794 554525054 /nfs/dbraw/zinc/52/50/54/554525054.db2.gz DFXFPDJOLIWJMX-MRXNPFEDSA-N 0 0 475.530 4.976 40 5 JJBBRN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)n1-c1ccccc1 ZINC000006280873 554525075 /nfs/dbraw/zinc/52/50/75/554525075.db2.gz AVPXLHRMQSNPKE-UHFFFAOYSA-N 0 0 475.530 4.890 40 5 JJBBRN Cc1cccc(NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1 ZINC000006442592 554536773 /nfs/dbraw/zinc/53/67/73/554536773.db2.gz UYWNPWHGIKVNMS-UHFFFAOYSA-N 0 0 474.546 4.827 40 5 JJBBRN CCOc1ccccc1NC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)OC)c1C ZINC000006631559 554556821 /nfs/dbraw/zinc/55/68/21/554556821.db2.gz JJIJRJFBWODUSP-UHFFFAOYSA-N 0 0 483.502 4.655 40 5 JJBBRN COc1ccc2c3nccc4c5cc(OCC(=O)NC6CCCCCC6)ccc5n(c43)c(=O)c2c1OC ZINC000008792244 554685533 /nfs/dbraw/zinc/68/55/33/554685533.db2.gz KGBWWMUJITUINE-UHFFFAOYSA-N 0 0 499.567 4.827 40 5 biogenic JJBBRN COc1ccc(CCNC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2ccccc24)cc1 ZINC000008792258 554685538 /nfs/dbraw/zinc/68/55/38/554685538.db2.gz XUCWJHGHLOKMHH-GOSISDBHSA-N 0 0 491.547 4.727 40 5 biogenic JJBBRN COC(=O)c1ccc(COc2ccc3c(c2)c2ccnc4c2n3c(=O)c2c4ccc(OC)c2OC)cc1 ZINC000008792415 554686007 /nfs/dbraw/zinc/68/60/07/554686007.db2.gz WNUDEHOVRPKEHP-UHFFFAOYSA-N 0 0 494.503 4.975 40 5 biogenic JJBBRN Cc1c(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cccc1[N+](=O)[O-] ZINC000008810304 554690018 /nfs/dbraw/zinc/69/00/18/554690018.db2.gz SLISPJBGFWEXGK-UHFFFAOYSA-N 0 0 463.874 4.749 40 5 JJBBRN O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000008831076 554720952 /nfs/dbraw/zinc/72/09/52/554720952.db2.gz MPDDBWXTXHPAJA-UHFFFAOYSA-N 0 0 461.956 4.585 40 5 JJBBRN Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)nc21 ZINC000008831102 554721235 /nfs/dbraw/zinc/72/12/35/554721235.db2.gz MYCWIDITBZBOAD-UHFFFAOYSA-N 0 0 455.565 4.548 40 5 JJBBRN C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000008831770 554723778 /nfs/dbraw/zinc/72/37/78/554723778.db2.gz BZXHMUWWICFVKC-KRWDZBQOSA-N 0 0 467.595 4.701 40 5 JJBBRN COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1F ZINC000008833232 554730442 /nfs/dbraw/zinc/73/04/42/554730442.db2.gz QUMNWJXBOGNWFS-UHFFFAOYSA-N 0 0 478.299 4.785 40 5 JJBBRN COc1ccc(CNC(=O)c2cc3c4ccccc4n4c3c(n2)c2ccc(OC)c(OC)c2c4=O)cc1 ZINC000008877940 554773605 /nfs/dbraw/zinc/77/36/05/554773605.db2.gz ICLZEVHGCJWECK-UHFFFAOYSA-N 0 0 493.519 4.548 40 5 biogenic JJBBRN O=C(NCc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008899052 554789806 /nfs/dbraw/zinc/78/98/06/554789806.db2.gz NRKLBEJEGZCRTK-UHFFFAOYSA-N 0 0 474.542 4.638 40 5 JJBBRN CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)sc2c1 ZINC000008903682 554797711 /nfs/dbraw/zinc/79/77/11/554797711.db2.gz MJESLCGTOAFQBG-UHFFFAOYSA-N 0 0 454.508 4.622 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccc(O)cc2)n1Cc1ccco1 ZINC000009059417 554878079 /nfs/dbraw/zinc/87/80/79/554878079.db2.gz LWOFSIVECVEFJA-OAHLLOKOSA-N 0 0 479.518 4.628 40 5 JJBBRN CC(C)c1ccc(C=CC(=O)NC(=S)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000009064502 554882149 /nfs/dbraw/zinc/88/21/49/554882149.db2.gz DHLIYFCQIZGXFL-BJMVGYQFSA-N 0 0 472.998 4.608 40 5 JJBBRN COc1ccc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)c([N+](=O)[O-])c1 ZINC000009064587 554882637 /nfs/dbraw/zinc/88/26/37/554882637.db2.gz OATLYPIFIAGXIK-UHFFFAOYSA-N 0 0 460.309 4.646 40 5 JJBBRN Cc1ccc2nc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)sc2c1 ZINC000009064649 554883125 /nfs/dbraw/zinc/88/31/25/554883125.db2.gz OMBBBAJMHZVKFS-UHFFFAOYSA-N 0 0 455.565 4.630 40 5 JJBBRN CN(C)c1ccc([C@H]2[C@@H]([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000009313235 555089054 /nfs/dbraw/zinc/08/90/54/555089054.db2.gz AXVIKEQTAYLUKG-CQJMVLFOSA-N 0 0 484.512 4.557 40 5 JJBBRN Cc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1 ZINC000009350885 555117208 /nfs/dbraw/zinc/11/72/08/555117208.db2.gz XFPFRSWGFYOUEZ-VSKRKVRLSA-N 0 0 463.877 4.608 40 5 JJBBRN CCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1 ZINC000009361332 555123967 /nfs/dbraw/zinc/12/39/67/555123967.db2.gz PTRLPRDADMWKPV-ZLNRFVROSA-N 0 0 493.903 4.698 40 5 JJBBRN COC(=O)c1c(C)c(C(=O)Nc2ccccc2C)sc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013401217 555395840 /nfs/dbraw/zinc/39/58/40/555395840.db2.gz NMRMPHWWVUTAFH-UHFFFAOYSA-N 0 0 453.476 4.564 40 5 JJBBRN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN21 ZINC000013540324 555488996 /nfs/dbraw/zinc/48/89/96/555488996.db2.gz WYCBNYHPRJBYPC-QRXMYIDTSA-N 0 0 485.565 4.722 40 5 JJBBRN Cc1ccc(N(Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)S(C)(=O)=O)cc1C ZINC000019856299 555514829 /nfs/dbraw/zinc/51/48/29/555514829.db2.gz WZWCLGOQKVOWHP-UHFFFAOYSA-N 0 0 467.547 4.739 40 5 JJBBRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)c(C)c1 ZINC000013804074 555622574 /nfs/dbraw/zinc/62/25/74/555622574.db2.gz TXRMFAGOPOCSLU-VABKMULXSA-N 0 0 477.904 4.916 40 5 JJBBRN C[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000010111831 555623218 /nfs/dbraw/zinc/62/32/18/555623218.db2.gz NKMZFOPFYRFBSH-IBGZPJMESA-N 0 0 495.601 4.965 40 5 JJBBRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000020060861 555623747 /nfs/dbraw/zinc/62/37/47/555623747.db2.gz CFRPOEFUYSEBGS-UHFFFAOYSA-N 0 0 492.469 4.709 40 5 JJBBRN Cc1ccc(C(=O)[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]3CSCN3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000013816521 555629343 /nfs/dbraw/zinc/62/93/43/555629343.db2.gz GWWBCAZAJVPJLP-QRXMYIDTSA-N 0 0 485.565 4.722 40 5 JJBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](C)Oc1ccccc1 ZINC000013850144 555634275 /nfs/dbraw/zinc/63/42/75/555634275.db2.gz IDNYWHLPKHUIAZ-ZDUSSCGKSA-N 0 0 461.931 4.730 40 5 JJBBRN Cc1cc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1-c1ccc(CO)o1 ZINC000020153079 555671579 /nfs/dbraw/zinc/67/15/79/555671579.db2.gz ROZPYRUICZVDAG-UHFFFAOYSA-N 0 0 494.573 4.773 40 5 JJBBRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2C)cc1 ZINC000010315078 555681683 /nfs/dbraw/zinc/68/16/83/555681683.db2.gz IOLOZPOFXTYVQE-UHFFFAOYSA-N 0 0 459.911 4.918 40 5 JJBBRN Cc1c(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000010335643 555690754 /nfs/dbraw/zinc/69/07/54/555690754.db2.gz APBFNHISKPHKGG-UHFFFAOYSA-N 0 0 473.938 4.775 40 5 JJBBRN O=C(NC(=S)Nc1c(O)ccc2ccccc21)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000014269565 555759429 /nfs/dbraw/zinc/75/94/29/555759429.db2.gz GQMDTMYYMNTINI-UHFFFAOYSA-N 0 0 450.520 4.571 40 5 JJBBRN CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000014269551 555759432 /nfs/dbraw/zinc/75/94/32/555759432.db2.gz IUNLVOKQVDOSIC-UHFFFAOYSA-N 0 0 456.568 4.715 40 5 JJBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000014271074 555764925 /nfs/dbraw/zinc/76/49/25/555764925.db2.gz ULFIEZWICRGPHF-UHFFFAOYSA-N 0 0 460.855 4.852 40 5 JJBBRN COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000014271859 555767841 /nfs/dbraw/zinc/76/78/41/555767841.db2.gz WKTQBVLEFBGTFT-UHFFFAOYSA-N 0 0 462.959 4.620 40 5 JJBBRN CCOC(=O)c1c2c(sc1NC(=S)NC(=O)c1ccc(-c3ccccc3[N+](=O)[O-])o1)CCC2 ZINC000014274111 555775597 /nfs/dbraw/zinc/77/55/97/555775597.db2.gz FRFCCSIYVUMDOW-UHFFFAOYSA-N 0 0 485.543 4.709 40 5 JJBBRN CCOc1ccc2nc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)sc2c1 ZINC000014274374 555776548 /nfs/dbraw/zinc/77/65/48/555776548.db2.gz MWEPCPUCGWKIPD-UHFFFAOYSA-N 0 0 485.591 4.720 40 5 JJBBRN O=C(NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014274711 555777574 /nfs/dbraw/zinc/77/75/74/555777574.db2.gz UEZDCRHYEJUQHL-UHFFFAOYSA-N 0 0 488.529 4.525 40 5 JJBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1cc(Br)ccc1Cl ZINC000014275231 555780138 /nfs/dbraw/zinc/78/01/38/555780138.db2.gz QLIKKZKTRKYDMS-UHFFFAOYSA-N 0 0 493.564 4.900 40 5 JJBBRN COc1cc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)C(C)C ZINC000014276099 555782894 /nfs/dbraw/zinc/78/28/94/555782894.db2.gz JHUFBSHTDGXIKU-UHFFFAOYSA-N 0 0 482.518 4.585 40 5 JJBBRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000014276253 555783088 /nfs/dbraw/zinc/78/30/88/555783088.db2.gz DATXFXUEONHFOU-UHFFFAOYSA-N 0 0 489.985 4.714 40 5 JJBBRN CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)CC1 ZINC000014276301 555783396 /nfs/dbraw/zinc/78/33/96/555783396.db2.gz SKNSKXAYKHHRSA-UHFFFAOYSA-N 0 0 481.622 4.948 40 5 JJBBRN COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 ZINC000014291357 555793129 /nfs/dbraw/zinc/79/31/29/555793129.db2.gz RYEPEMPJMXFEEJ-UHFFFAOYSA-N 0 0 490.501 4.899 40 5 JJBBRN Cc1c(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000014410897 555810059 /nfs/dbraw/zinc/81/00/59/555810059.db2.gz PKBKMYVOWSFRKW-RUZDIDTESA-N 0 0 461.543 4.972 40 5 JJBBRN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000014816871 555840312 /nfs/dbraw/zinc/84/03/12/555840312.db2.gz UAZSGRKRQSIMLL-UHFFFAOYSA-N 0 0 489.351 4.570 40 5 JJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1C ZINC000014831609 555840578 /nfs/dbraw/zinc/84/05/78/555840578.db2.gz YOXMTUMJRJGWJE-MKMNVTDBSA-N 0 0 451.504 4.664 40 5 JJBBRN Cc1cc2c(nc3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Cl)o4)c(=O)n23)c(C)c1 ZINC000015224286 555886079 /nfs/dbraw/zinc/88/60/79/555886079.db2.gz STPGKRKYFCMNOD-GRSHGNNSSA-N 0 0 451.891 4.895 40 5 JJBBRN O=C(c1cc(Br)ccc1Cl)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000016384642 556136866 /nfs/dbraw/zinc/13/68/66/556136866.db2.gz MHUNFNKDVAHVHR-UHFFFAOYSA-N 0 0 492.679 4.992 40 5 JJBBRN O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1cc([N+](=O)[O-])ccc1Br ZINC000016385731 556136958 /nfs/dbraw/zinc/13/69/58/556136958.db2.gz XANIGKYWYGYOAA-UHFFFAOYSA-N 0 0 471.745 4.747 40 5 JJBBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(C)=C(C(=O)OCC)C1c1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000016682306 556151105 /nfs/dbraw/zinc/15/11/05/556151105.db2.gz CUKFQCUDAKHWBO-UHFFFAOYSA-N 0 0 493.560 4.939 40 5 JJBBRN CC1(C)C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@](C)(NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000026780125 556262088 /nfs/dbraw/zinc/26/20/88/556262088.db2.gz NYUBSMQXGONDTH-UZUQRXQVSA-N 0 0 484.513 4.784 40 5 JJBBRN CCOC(=O)[C@H]1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000019820567 556390315 /nfs/dbraw/zinc/39/03/15/556390315.db2.gz GHLHCNTYFJXKOP-DNQXCXABSA-N 0 0 484.512 4.568 40 5 JJBBRN CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000032115166 556422180 /nfs/dbraw/zinc/42/21/80/556422180.db2.gz RHAJANSFZSUEAB-UHFFFAOYSA-N 0 0 452.492 4.576 40 5 JJBBRN COc1ccc(-c2nc3cc(NC(=S)NC(=O)C=Cc4cccc([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000032115740 556423091 /nfs/dbraw/zinc/42/30/91/556423091.db2.gz SMEXEBMNUVKZLK-LFYBBSHMSA-N 0 0 474.498 4.938 40 5 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JJBBRN O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O)N1CCCCC1 ZINC000106758093 569855578 /nfs/dbraw/zinc/85/55/78/569855578.db2.gz QPNVVAGYTNDZRO-WQRHYEAKSA-N 0 0 475.910 4.557 40 5 JJBBRN O=C(NC(=S)Nc1ccccc1I)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000108056800 569858472 /nfs/dbraw/zinc/85/84/72/569858472.db2.gz NYGICYKUOBLAGB-UHFFFAOYSA-N 0 0 493.282 4.586 40 5 JJBBRN O=c1/c(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)sc2nc3ccccc3n12 ZINC000138560025 569865917 /nfs/dbraw/zinc/86/59/17/569865917.db2.gz BBFGZKONKNMTMG-WSVATBPTSA-N 0 0 458.282 4.932 40 5 JJBBRN Cc1c(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000141358872 569867513 /nfs/dbraw/zinc/86/75/13/569867513.db2.gz RRGBDINBGOJPFI-OYKKKHCWSA-N 0 0 466.522 4.677 40 5 JJBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000214471219 569876720 /nfs/dbraw/zinc/87/67/20/569876720.db2.gz AUKIUBOWBLFQDP-UDWIEESQSA-N 0 0 463.471 4.838 40 5 JJBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1O ZINC000215022795 569877109 /nfs/dbraw/zinc/87/71/09/569877109.db2.gz GWQKRFHXVXEXOL-CXUHLZMHSA-N 0 0 479.308 4.698 40 5 JJBBRN O=C(COc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O)Nc1ccccc1 ZINC000215011873 569877119 /nfs/dbraw/zinc/87/71/19/569877119.db2.gz YMUSEAQSLYPSIJ-HYARGMPZSA-N 0 0 489.509 4.849 40 5 JJBBRN O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214994440 569877142 /nfs/dbraw/zinc/87/71/42/569877142.db2.gz MZQZTUAVGUSSQT-UDWIEESQSA-N 0 0 464.459 4.589 40 5 JJBBRN O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000215246580 569877282 /nfs/dbraw/zinc/87/72/82/569877282.db2.gz SEIBPVHYRLTXEQ-UDWIEESQSA-N 0 0 464.459 4.589 40 5 JJBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222503000 569884951 /nfs/dbraw/zinc/88/49/51/569884951.db2.gz AYIAWZYFLFNXKM-MBSDFSHPSA-N 0 0 487.622 4.559 40 5 JJBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222508238 569885032 /nfs/dbraw/zinc/88/50/32/569885032.db2.gz IQVRLYCTEZWWKX-OAQYLSRUSA-N 0 0 478.014 4.813 40 5 JJBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222708207 569889228 /nfs/dbraw/zinc/88/92/28/569889228.db2.gz JQIMYYQLHRLSFC-LJQANCHMSA-N 0 0 466.365 4.776 40 5 JJBBRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222755912 569890413 /nfs/dbraw/zinc/89/04/13/569890413.db2.gz RHBYOOZXIQEJDD-AREMUKBSSA-N 0 0 491.563 4.689 40 5 JJBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222947929 569895247 /nfs/dbraw/zinc/89/52/47/569895247.db2.gz QMXALBOSJLMZEI-CQSZACIVSA-N 0 0 466.365 4.776 40 5 JJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223226544 569904153 /nfs/dbraw/zinc/90/41/53/569904153.db2.gz BMNOEWJOCOFYRQ-QFIPXVFZSA-N 0 0 471.623 4.859 40 5 JJBBRN CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223330453 569907782 /nfs/dbraw/zinc/90/77/82/569907782.db2.gz WKIMARBLYHSELR-LJQANCHMSA-N 0 0 484.405 4.688 40 5 JJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223365583 569908960 /nfs/dbraw/zinc/90/89/60/569908960.db2.gz CCZAYBNQSWAGHG-XMMPIXPASA-N 0 0 479.964 4.567 40 5 JJBBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000223434000 569911269 /nfs/dbraw/zinc/91/12/69/569911269.db2.gz NHFIZIPEZGALEE-DQEYMECFSA-N 0 0 485.569 4.962 40 5 JJBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)o2)cc1 ZINC000223520212 569914443 /nfs/dbraw/zinc/91/44/43/569914443.db2.gz JUWPGSDDCXMDEH-GOTSBHOMSA-N 0 0 457.515 4.818 40 5 JJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223587960 569917074 /nfs/dbraw/zinc/91/70/74/569917074.db2.gz SXHQDSBWRYRQIO-QFIPXVFZSA-N 0 0 487.622 4.559 40 5 JJBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223632194 569918462 /nfs/dbraw/zinc/91/84/62/569918462.db2.gz QPNYJACYOHSZTH-JOCHJYFZSA-N 0 0 487.622 4.559 40 5 JJBBRN Cc1ccccc1CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)NC1CCCC1 ZINC000223759052 569922330 /nfs/dbraw/zinc/92/23/30/569922330.db2.gz GGHNPONUMJPXEC-LJQANCHMSA-N 0 0 469.607 4.613 40 5 JJBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000223773094 569922835 /nfs/dbraw/zinc/92/28/35/569922835.db2.gz UMOBUZCVXAJGQZ-BJKOFHAPSA-N 0 0 471.542 4.966 40 5 JJBBRN Cc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223808007 569923970 /nfs/dbraw/zinc/92/39/70/569923970.db2.gz GIQUEUMQKHOHAR-IBGZPJMESA-N 0 0 469.607 4.613 40 5 JJBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223879810 569926033 /nfs/dbraw/zinc/92/60/33/569926033.db2.gz NNRFJQCGPCDVIX-CQSZACIVSA-N 0 0 484.405 4.688 40 5 JJBBRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223922995 569927430 /nfs/dbraw/zinc/92/74/30/569927430.db2.gz ZMGQZERBWWSFBU-CQSZACIVSA-N 0 0 484.405 4.688 40 5 JJBBRN Cc1ccc(C)c(N(Cc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)S(C)(=O)=O)c1 ZINC000224083975 569932734 /nfs/dbraw/zinc/93/27/34/569932734.db2.gz BOQWFWTZTAFHGP-UHFFFAOYSA-N 0 0 467.547 4.739 40 5 JJBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224568103 569948805 /nfs/dbraw/zinc/94/88/05/569948805.db2.gz XENYUHKPAJJHJF-XMMPIXPASA-N 0 0 499.633 4.703 40 5 JJBBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000224578307 569949287 /nfs/dbraw/zinc/94/92/87/569949287.db2.gz WNBQHOSZQZPBHW-BJKOFHAPSA-N 0 0 471.542 4.966 40 5 JJBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224644299 569952067 /nfs/dbraw/zinc/95/20/67/569952067.db2.gz OLNJLGAMXNDHCX-LJQANCHMSA-N 0 0 469.607 4.694 40 5 JJBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224792225 569957803 /nfs/dbraw/zinc/95/78/03/569957803.db2.gz YCNDPGRFDVNXTO-QGZVFWFLSA-N 0 0 457.958 4.657 40 5 JJBBRN C[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224980142 569967048 /nfs/dbraw/zinc/96/70/48/569967048.db2.gz KNUWWCSHTSSUMK-HXUWFJFHSA-N 0 0 483.634 4.737 40 5 JJBBRN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cccc(SC)c1 ZINC000408602302 569969542 /nfs/dbraw/zinc/96/95/42/569969542.db2.gz BNMVWVQUHLICQI-CSKARUKUSA-N 0 0 455.492 4.810 40 5 JJBBRN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OS(=O)(=O)c1cccc2ccccc21 ZINC000408604447 569970326 /nfs/dbraw/zinc/97/03/26/569970326.db2.gz JGYXMJHHXHWQSL-ACCUITESSA-N 0 0 466.471 4.991 40 5 JJBBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1OCC ZINC000408604473 569970337 /nfs/dbraw/zinc/97/03/37/569970337.db2.gz JSBMFDGNIDWYTG-ACCUITESSA-N 0 0 467.478 4.877 40 5 JJBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225069254 569973312 /nfs/dbraw/zinc/97/33/12/569973312.db2.gz DNQGLLGWTRMIDK-QHCPKHFHSA-N 0 0 451.567 4.702 40 5 JJBBRN CCCOc1c(I)cc(CNc2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000408613718 569973475 /nfs/dbraw/zinc/97/34/75/569973475.db2.gz ZQDXOUSXMNSAIH-UHFFFAOYSA-N 0 0 456.280 4.999 40 5 JJBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225190638 569981462 /nfs/dbraw/zinc/98/14/62/569981462.db2.gz SDXNUGALDRETHE-QFIPXVFZSA-N 0 0 455.530 4.533 40 5 JJBBRN CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225335816 569991154 /nfs/dbraw/zinc/99/11/54/569991154.db2.gz TVGPNINJKMDYFW-LJQANCHMSA-N 0 0 466.365 4.778 40 5 JJBBRN Cc1cc(C)cc(Oc2ccc(NC(=O)CCC(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000408647663 569992468 /nfs/dbraw/zinc/99/24/68/569992468.db2.gz UBRBYYLUFDGHOT-UHFFFAOYSA-N 0 0 491.500 4.905 40 5 JJBBRN CC[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)C(=O)c1ccccc1 ZINC000408652944 569995262 /nfs/dbraw/zinc/99/52/62/569995262.db2.gz PHBBOYUAYBNNQN-QPPBQGQZSA-N 0 0 472.497 4.819 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225460107 569997643 /nfs/dbraw/zinc/99/76/43/569997643.db2.gz RVMKGBHLGOBROV-GCJKJVERSA-N 0 0 457.596 4.550 40 5 JJBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225463605 569997924 /nfs/dbraw/zinc/99/79/24/569997924.db2.gz YYGDYYDRTYPXPX-SANMLTNESA-N 0 0 491.563 4.833 40 5 JJBBRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1C ZINC000408657528 569998323 /nfs/dbraw/zinc/99/83/23/569998323.db2.gz UMCNIDMXFXSAOE-FQEVSTJZSA-N 0 0 488.496 4.783 40 5 JJBBRN O=C(CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1 ZINC000225519658 570002006 /nfs/dbraw/zinc/00/20/06/570002006.db2.gz VEGBZWJTCVBRSJ-RPBOFIJWSA-N 0 0 499.552 4.861 40 5 JJBBRN Cc1ccccc1Oc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000408667737 570005454 /nfs/dbraw/zinc/00/54/54/570005454.db2.gz KHSDWVLSKUHCAP-UHFFFAOYSA-N 0 0 477.473 4.596 40 5 JJBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225558211 570005577 /nfs/dbraw/zinc/00/55/77/570005577.db2.gz KQNDWEQZPWEGGW-WMZHIEFXSA-N 0 0 471.623 4.859 40 5 JJBBRN CCn1c(SCC(=O)c2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cc(OC)cc(OC)c1 ZINC000408674850 570009489 /nfs/dbraw/zinc/00/94/89/570009489.db2.gz JVQUDDPOUNDMIG-UHFFFAOYSA-N 0 0 462.915 4.519 40 5 JJBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225644111 570011918 /nfs/dbraw/zinc/01/19/18/570011918.db2.gz AUUAEIMUVHSSQX-JTSKRJEESA-N 0 0 475.586 4.689 40 5 JJBBRN CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225658922 570012934 /nfs/dbraw/zinc/01/29/34/570012934.db2.gz CNTWBXUZIXSGLD-QGZVFWFLSA-N 0 0 478.014 4.671 40 5 JJBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3Cl)C(=O)[C@H]21 ZINC000408684269 570013483 /nfs/dbraw/zinc/01/34/83/570013483.db2.gz NFGRCJVDQHPFDH-VOWSPCBNSA-N 0 0 488.327 4.656 40 5 JJBBRN CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 ZINC000408684549 570013584 /nfs/dbraw/zinc/01/35/84/570013584.db2.gz NSWBMKOMGWQMOS-AEFFLSMTSA-N 0 0 488.327 4.800 40 5 JJBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000408685682 570013872 /nfs/dbraw/zinc/01/38/72/570013872.db2.gz PXTILKMHWSTYPL-ZNZDAUKMSA-N 0 0 490.343 4.880 40 5 JJBBRN C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000408686312 570014053 /nfs/dbraw/zinc/01/40/53/570014053.db2.gz RMOBQWIQVZNIEU-FSPWUOQZSA-N 0 0 490.343 4.880 40 5 JJBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21 ZINC000408686831 570014214 /nfs/dbraw/zinc/01/42/14/570014214.db2.gz SHWHBSIBXZATIV-YXKFXFPPSA-N 0 0 488.327 4.656 40 5 JJBBRN Cc1ccc(C(=O)C[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408688669 570014572 /nfs/dbraw/zinc/01/45/72/570014572.db2.gz WMSZBRPGRMGAGC-HSZRJFAPSA-N 0 0 451.500 4.510 40 5 JJBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)n(-c2ccccc2)n1 ZINC000408695865 570018245 /nfs/dbraw/zinc/01/82/45/570018245.db2.gz UFJHEEMSMVKWGD-UHFFFAOYSA-N 0 0 464.279 4.857 40 5 JJBBRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225729953 570018389 /nfs/dbraw/zinc/01/83/89/570018389.db2.gz YBBDCEBQWMVFKP-AREMUKBSSA-N 0 0 473.573 4.550 40 5 JJBBRN O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2)C1(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225989903 570031301 /nfs/dbraw/zinc/03/13/01/570031301.db2.gz HGOVFMGNVOZKAJ-UHFFFAOYSA-N 0 0 497.960 4.670 40 5 JJBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])o3)S2)cc1 ZINC000408773206 570039447 /nfs/dbraw/zinc/03/94/47/570039447.db2.gz HIHXPEGPPUYYSC-ZRELAVNMSA-N 0 0 466.475 4.925 40 5 JJBBRN O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408837896 570053273 /nfs/dbraw/zinc/05/32/73/570053273.db2.gz ANIXMBHVGXQNKL-LFYBBSHMSA-N 0 0 474.794 4.624 40 5 JJBBRN Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cccc1[N+](=O)[O-] ZINC000408906018 570070700 /nfs/dbraw/zinc/07/07/00/570070700.db2.gz AFMNXGLHJABTAA-UHFFFAOYSA-N 0 0 479.436 4.975 40 5 JJBBRN COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)o2)cc1 ZINC000408917006 570075567 /nfs/dbraw/zinc/07/55/67/570075567.db2.gz KRJPZMRIVZSHLM-UDWIEESQSA-N 0 0 464.455 4.878 40 5 JJBBRN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)cc1[N+](=O)[O-] ZINC000408919032 570076382 /nfs/dbraw/zinc/07/63/82/570076382.db2.gz RWBRMKJGXCXNHC-LQDNNDEMSA-N 0 0 489.325 4.806 40 5 JJBBRN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)cc1[N+](=O)[O-] ZINC000408919034 570076527 /nfs/dbraw/zinc/07/65/27/570076527.db2.gz RWBRMKJGXCXNHC-YCIYHOANSA-N 0 0 489.325 4.806 40 5 JJBBRN O=C1S/C(=C\c2cc(Br)c(Br)o2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408949303 570083858 /nfs/dbraw/zinc/08/38/58/570083858.db2.gz ARQGGIPXDGEIAO-SDQBBNPISA-N 0 0 488.113 4.949 40 5 JJBBRN COC(=O)c1ccc(NC(=O)c2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1 ZINC000408974705 570089439 /nfs/dbraw/zinc/08/94/39/570089439.db2.gz CCTBKLDKDXSJHO-UHFFFAOYSA-N 0 0 459.465 4.918 40 5 JJBBRN COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409098392 570127472 /nfs/dbraw/zinc/12/74/72/570127472.db2.gz OPJXWGWHCYVJBC-VXLYETTFSA-N 0 0 479.876 4.933 40 5 JJBBRN CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409137409 570142918 /nfs/dbraw/zinc/14/29/18/570142918.db2.gz WGPLVXNWDNWIST-XDHOZWIPSA-N 0 0 492.937 4.909 40 5 JJBBRN Cc1ccc(-c2nn(CC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)c(=S)o2)cc1 ZINC000409151047 570149138 /nfs/dbraw/zinc/14/91/38/570149138.db2.gz GFFPBOHFVGGBKJ-UHFFFAOYSA-N 0 0 453.505 4.851 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C ZINC000409154549 570150063 /nfs/dbraw/zinc/15/00/63/570150063.db2.gz OLYOAKLCGFFROA-UHFFFAOYSA-N 0 0 452.323 4.736 40 5 JJBBRN Cc1ccc(-c2csc(NC(=O)Cn3nc(COc4ccccc4)oc3=S)n2)cc1[N+](=O)[O-] ZINC000409157406 570151071 /nfs/dbraw/zinc/15/10/71/570151071.db2.gz VJRKVDFNWZSUSO-UHFFFAOYSA-N 0 0 483.531 4.763 40 5 JJBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)cc1C ZINC000409164737 570153001 /nfs/dbraw/zinc/15/30/01/570153001.db2.gz NBALBZWXWNLCKA-BKUYFWCQSA-N 0 0 476.514 4.677 40 5 JJBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 ZINC000409176360 570157088 /nfs/dbraw/zinc/15/70/88/570157088.db2.gz LKQLUVDDUDAZLG-UHFFFAOYSA-N 0 0 453.834 4.816 40 5 JJBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccccc1C(F)(F)F)C2=O ZINC000409177577 570157608 /nfs/dbraw/zinc/15/76/08/570157608.db2.gz AJPAMNFKWLOOBE-UHFFFAOYSA-N 0 0 470.359 4.771 40 5 JJBBRN O=C(COC(=O)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)c(Cl)c1 ZINC000409178113 570157785 /nfs/dbraw/zinc/15/77/85/570157785.db2.gz JIJWAWAHAVCFBV-UHFFFAOYSA-N 0 0 499.262 4.742 40 5 JJBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 ZINC000409177932 570157815 /nfs/dbraw/zinc/15/78/15/570157815.db2.gz FFAZWBFVUIPHIV-UHFFFAOYSA-N 0 0 453.834 4.816 40 5 JJBBRN O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000409178510 570158009 /nfs/dbraw/zinc/15/80/09/570158009.db2.gz KLBRFGIXHSDOAB-UHFFFAOYSA-N 0 0 475.478 4.621 40 5 JJBBRN O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 ZINC000409178818 570158143 /nfs/dbraw/zinc/15/81/43/570158143.db2.gz OWLCWOFIRVBWGN-UHFFFAOYSA-N 0 0 475.478 4.621 40 5 JJBBRN O=C(COC(=O)c1ccc(COc2ccc(Br)cc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000409180885 570159103 /nfs/dbraw/zinc/15/91/03/570159103.db2.gz TZZPVRCUIGMUGV-UHFFFAOYSA-N 0 0 470.275 4.976 40 5 JJBBRN Cc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409184732 570160526 /nfs/dbraw/zinc/16/05/26/570160526.db2.gz ZXOVDZNWAQTNCV-RUZDIDTESA-N 0 0 491.456 4.698 40 5 JJBBRN CC[C@@H](NC(=O)[C@H](CC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000260917503 570163997 /nfs/dbraw/zinc/16/39/97/570163997.db2.gz DRWMWNUKSUZXHG-PKTZIBPZSA-N 0 0 487.622 4.594 40 5 JJBBRN CCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000261365496 570169094 /nfs/dbraw/zinc/16/90/94/570169094.db2.gz SSPONULGTDJFLR-OAQYLSRUSA-O 0 0 486.961 4.504 40 5 JJBBRN O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409211282 570169889 /nfs/dbraw/zinc/16/98/89/570169889.db2.gz MVXBRVUZLVEYHC-VIZOYTHASA-N 0 0 496.726 4.686 40 5 JJBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O)Nc1cccc(Cl)c1 ZINC000409213408 570171053 /nfs/dbraw/zinc/17/10/53/570171053.db2.gz UKSHVFYRRUTRMX-CHHVJCJISA-N 0 0 496.726 4.686 40 5 JJBBRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)c1 ZINC000409220460 570174089 /nfs/dbraw/zinc/17/40/89/570174089.db2.gz AABDACXQJNGNDK-UDWIEESQSA-N 0 0 474.429 4.697 40 5 JJBBRN O=C1N/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N1Cc1ccccc1 ZINC000409228911 570176901 /nfs/dbraw/zinc/17/69/01/570176901.db2.gz HCKYKITWFDBWFE-OEAKJJBVSA-N 0 0 452.470 4.691 40 5 JJBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)o2)cc1[N+](=O)[O-] ZINC000409232875 570178443 /nfs/dbraw/zinc/17/84/43/570178443.db2.gz SQLAGIOVOVIFFA-RGVLZGJSSA-N 0 0 481.461 4.977 40 5 JJBBRN COCCCN1C(=O)S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O ZINC000409233022 570178623 /nfs/dbraw/zinc/17/86/23/570178623.db2.gz JOFKSXODJNFWBP-FYJGNVAPSA-N 0 0 451.504 4.671 40 5 JJBBRN CC[C@@H](C)Nc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328978801 570180365 /nfs/dbraw/zinc/18/03/65/570180365.db2.gz GBKYPJOSVKEPDW-CQSZACIVSA-N 0 0 461.444 4.617 40 5 JJBBRN CCNc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329025623 570182218 /nfs/dbraw/zinc/18/22/18/570182218.db2.gz PGTNHJMZZRQHOO-UHFFFAOYSA-N 0 0 453.808 4.623 40 5 JJBBRN CC[C@@H](C)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329033332 570182429 /nfs/dbraw/zinc/18/24/29/570182429.db2.gz QTQZQLSLPPLRLM-CQSZACIVSA-N 0 0 461.444 4.617 40 5 JJBBRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2C)c1C ZINC000408549037 570194481 /nfs/dbraw/zinc/19/44/81/570194481.db2.gz VXYXOIMGOJNWME-UHFFFAOYSA-N 0 0 453.520 4.882 40 5 JJBBRN Cc1c(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2Cl)cccc1[N+](=O)[O-] ZINC000408560518 570200411 /nfs/dbraw/zinc/20/04/11/570200411.db2.gz DBJHIKFKXVQYDE-UHFFFAOYSA-N 0 0 493.900 4.514 40 5 JJBBRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408562569 570201852 /nfs/dbraw/zinc/20/18/52/570201852.db2.gz BQCXFMUMNOKGKW-UHFFFAOYSA-N 0 0 466.302 4.955 40 5 JJBBRN CN1C[C@H](c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565579 570203313 /nfs/dbraw/zinc/20/33/13/570203313.db2.gz LLYVMWQYYFOCPI-DVKBMCPXSA-N 0 0 481.911 4.580 40 5 JJBBRN COc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1Br ZINC000408572181 570204923 /nfs/dbraw/zinc/20/49/23/570204923.db2.gz QSLCHHHMYPFSDO-GOSISDBHSA-N 0 0 463.357 4.765 40 5 JJBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCC)c(OCC)c2)cc1 ZINC000408574069 570205340 /nfs/dbraw/zinc/20/53/40/570205340.db2.gz UNPZSVVFDXAMGS-QFIPXVFZSA-N 0 0 472.567 4.882 40 5 JJBBRN COc1cc(Cl)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OC ZINC000408574990 570205566 /nfs/dbraw/zinc/20/55/66/570205566.db2.gz VHVYAGXIEYQVNS-HXUWFJFHSA-N 0 0 462.959 4.973 40 5 JJBBRN COc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1Br ZINC000408575651 570205721 /nfs/dbraw/zinc/20/57/21/570205721.db2.gz WSTZRTBQUBKPOH-GOSISDBHSA-N 0 0 463.357 4.765 40 5 JJBBRN O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408575626 570205722 /nfs/dbraw/zinc/20/57/22/570205722.db2.gz OHNSPODJSZULIC-PCCDRTMGSA-N 0 0 471.513 4.683 40 5 JJBBRN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)sc1C(=O)Nc1ccc(Br)cc1 ZINC000001378955 194112626 /nfs/dbraw/zinc/11/26/26/194112626.db2.gz MXDJJOPUKUJFOY-UHFFFAOYSA-N 0 0 461.297 4.627 40 5 JJBBRN O=C1OC(c2cc(I)ccc2Cl)=N/C1=C\C=C\c1cccc([N+](=O)[O-])c1 ZINC000008989871 194496769 /nfs/dbraw/zinc/49/67/69/194496769.db2.gz XHXRPNQGBCWYGE-HYLYESJESA-N 0 0 480.645 4.754 40 5 JJBBRN Cc1ccc2nc(NC(=O)[C@H](Cc3ccc([N+](=O)[O-])cc3)NC(=O)OCc3ccccc3)sc2c1 ZINC000008989882 194496777 /nfs/dbraw/zinc/49/67/77/194496777.db2.gz MLKDHRLAIOOMKW-NRFANRHFSA-N 0 0 490.541 4.989 40 5 JJBBRN Cc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4cccc([N+](=O)[O-])c4)N4C=Cc5ccccc5[C@@H]34)C2O)c(C)c1 ZINC000008994632 194499146 /nfs/dbraw/zinc/49/91/46/194499146.db2.gz GCOCJEDTOZNSAO-XPGKHFPBSA-N 0 0 493.519 4.610 40 5 JJBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(Cl)cc1 ZINC000009072499 194520663 /nfs/dbraw/zinc/52/06/63/194520663.db2.gz DXESFSHJJLWBDI-UHFFFAOYSA-N 0 0 452.323 4.911 40 5 JJBBRN COc1ccc(-c2ccc(C(=O)Nc3ccc4nn(-c5ccc(F)cc5)nc4c3)o2)c([N+](=O)[O-])c1 ZINC000020610407 195183617 /nfs/dbraw/zinc/18/36/17/195183617.db2.gz SIQLVVLGLUJMGW-UHFFFAOYSA-N 0 0 473.420 4.989 40 5 JJBBRN COc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3n2)cc1Cl ZINC000020610795 195183850 /nfs/dbraw/zinc/18/38/50/195183850.db2.gz FSPHVLMMRLVTMQ-UHFFFAOYSA-N 0 0 458.261 4.896 40 5 JJBBRN CC1CCN(c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCCCC4)cc2[N+](=O)[O-])CC1 ZINC000021595995 195318346 /nfs/dbraw/zinc/31/83/46/195318346.db2.gz ZUNDETDMNROUAL-UHFFFAOYSA-N 0 0 456.568 4.513 40 5 JJBBRN CCCC[C@H](CC)CNC(=O)c1ccc(CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000224855872 195468322 /nfs/dbraw/zinc/46/83/22/195468322.db2.gz UDKGAEWDSJFEID-IBGZPJMESA-N 0 0 475.611 4.816 40 5 JJBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409232570 195510254 /nfs/dbraw/zinc/51/02/54/195510254.db2.gz RHQVUEPTXPHWOZ-CIAFOILYSA-N 0 0 493.903 4.929 40 5 JJBBRN CCCCOC(=O)[C@H]1ON(c2ccc(C=O)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)OCCCC ZINC000005665132 520720952 /nfs/dbraw/zinc/72/09/52/520720952.db2.gz IFILWLJINXDARU-VXNXHJTFSA-N 0 0 498.532 4.572 40 5 JJBBRN CC1=NN(c2ccccc2)C(=O)[C@@]12C(c1cccc([N+](=O)[O-])c1)[C@]21C(C)=NN(c2ccccc2)C1=O ZINC000016607497 520896526 /nfs/dbraw/zinc/89/65/26/520896526.db2.gz LMWYGKCULRTENX-SVBPBHIXSA-N 0 0 479.496 4.510 40 5 JJBBRN COC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2C)sc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000013388539 521751847 /nfs/dbraw/zinc/75/18/47/521751847.db2.gz MTWBHGDDZDKOEO-UHFFFAOYSA-N 0 0 467.503 4.873 40 5 JJBBRN CCSc1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000022429791 521776205 /nfs/dbraw/zinc/77/62/05/521776205.db2.gz WGKFDQGVGLQYDK-UHFFFAOYSA-N 0 0 471.560 4.541 40 5 JJBBRN CC[C@H](CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005030167 522168102 /nfs/dbraw/zinc/16/81/02/522168102.db2.gz SZODNUUDIAIQDO-JOCHJYFZSA-N 0 0 469.494 4.914 40 5 JJBBRN COc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000006194265 523317012 /nfs/dbraw/zinc/31/70/12/523317012.db2.gz ZSYWEWQHZXWUGE-UHFFFAOYSA-N 0 0 489.557 4.814 40 5 JJBBRN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1-c1ccc(CO)o1 ZINC000020142806 524627541 /nfs/dbraw/zinc/62/75/41/524627541.db2.gz GERGXNCVKAYCDL-UHFFFAOYSA-N 0 0 451.479 4.598 40 5 JJBBRN COc1ccc2c3nc(C(=O)NCCCc4ccccc4)cc4c5ccccc5n(c43)c(=O)c2c1OC ZINC000008879138 525619512 /nfs/dbraw/zinc/61/95/12/525619512.db2.gz RMQMYHNMZVWYPL-UHFFFAOYSA-N 0 0 491.547 4.972 40 5 biogenic JJBBRN O=C(Nc1cc([N+](=O)[O-])ccc1N(CCO)C(=O)c1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000016398809 527131089 /nfs/dbraw/zinc/13/10/89/527131089.db2.gz SYUIDLXIWTVYFW-UHFFFAOYSA-N 0 0 474.300 4.793 40 5 JJBBRN O=c1c2ccc3c(=O)n(CC[C@H]4C=CCCC4)c(=O)c4ccc(c(=O)n1CC[C@@H]1C=CCCC1)c2c34 ZINC000020494360 527462603 /nfs/dbraw/zinc/46/26/03/527462603.db2.gz XIDBIBBOJQPMLX-BGYRXZFFSA-N 0 0 482.580 4.558 40 5 JJBBRN COc1ccc(-n2c(SCC(=O)OC3CCCCC3)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000873182 553811049 /nfs/dbraw/zinc/81/10/49/553811049.db2.gz AOSMUQXQYQEABT-UHFFFAOYSA-N 0 0 468.535 4.819 40 5 JJBBRN Cc1ccc2cc(CN(C3CCCCC3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(=O)[nH]c2c1C ZINC000000914259 553843759 /nfs/dbraw/zinc/84/37/59/553843759.db2.gz WTOOCUGLFSZDTL-UHFFFAOYSA-N 0 0 469.563 4.577 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CNc2ccc(F)cc2)n1-c1ccccc1 ZINC000006280741 554524869 /nfs/dbraw/zinc/52/48/69/554524869.db2.gz JSYQLSMQMPZAFI-UHFFFAOYSA-N 0 0 492.536 4.966 40 5 JJBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000006445891 554539988 /nfs/dbraw/zinc/53/99/88/554539988.db2.gz REQRYWXVRNCFRH-JXMROGBWSA-N 0 0 482.880 4.778 40 5 JJBBRN CCOc1ccc(NC(=O)c2sc(NC(=O)c3cccc([N+](=O)[O-])c3)c(C(=O)OC)c2C)cc1 ZINC000006601203 554555879 /nfs/dbraw/zinc/55/58/79/554555879.db2.gz RWZAMIPFCGLFCL-UHFFFAOYSA-N 0 0 483.502 4.655 40 5 JJBBRN O=C(c1cc2c3ccccc3n3c2c(n1)c1ccccc1c3=O)N1CCN(c2ccccc2)CC1 ZINC000008792187 554685394 /nfs/dbraw/zinc/68/53/94/554685394.db2.gz VSYLORYQTHIQKD-UHFFFAOYSA-N 0 0 458.521 4.554 40 5 biogenic JJBBRN CC(C)COc1cccc(C(=O)NC(=S)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000008831132 554721214 /nfs/dbraw/zinc/72/12/14/554721214.db2.gz GSMCZSGOEJXAHG-UHFFFAOYSA-N 0 0 456.549 4.880 40 5 JJBBRN CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1 ZINC000008832535 554727042 /nfs/dbraw/zinc/72/70/42/554727042.db2.gz DNVHNMKGNUQEPM-UHFFFAOYSA-N 0 0 462.506 4.556 40 5 JJBBRN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3O)nc2c1 ZINC000008833350 554731026 /nfs/dbraw/zinc/73/10/26/554731026.db2.gz KSHSVYZHLVIDQY-UHFFFAOYSA-N 0 0 492.513 4.806 40 5 JJBBRN Cc1cc2sc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)nc2cc1Cl ZINC000008835408 554734384 /nfs/dbraw/zinc/73/43/84/554734384.db2.gz SCNUWTSDRSIMLE-UHFFFAOYSA-N 0 0 475.983 4.893 40 5 JJBBRN COc1ccc(NC(=S)NC(=O)c2cc3ccccc3c(Br)c2OC)cc1[N+](=O)[O-] ZINC000008835495 554734564 /nfs/dbraw/zinc/73/45/64/554734564.db2.gz RIEQOFBAJOMFFM-UHFFFAOYSA-N 0 0 490.335 4.655 40 5 JJBBRN O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008898775 554789382 /nfs/dbraw/zinc/78/93/82/554789382.db2.gz QEKFDZBZPKKPOS-UHFFFAOYSA-N 0 0 479.880 4.540 40 5 JJBBRN COC(=O)c1c(C)c(C(=O)Nc2ccc(Cl)cc2)sc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000008926562 554823527 /nfs/dbraw/zinc/82/35/27/554823527.db2.gz XZIZGBKVSGMQOA-UHFFFAOYSA-N 0 0 473.894 4.909 40 5 JJBBRN COC(=O)c1c(C)c(C(=O)Nc2cc(C)cc(C)c2)sc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000008926585 554823555 /nfs/dbraw/zinc/82/35/55/554823555.db2.gz XHCLYVZNHCCGJL-UHFFFAOYSA-N 0 0 467.503 4.873 40 5 JJBBRN COc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000009064981 554884889 /nfs/dbraw/zinc/88/48/89/554884889.db2.gz AVPVLPRZCWTUQY-UHFFFAOYSA-N 0 0 462.487 4.847 40 5 JJBBRN CN(C)c1ccc([C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@H]3[C@H]2[N+](=O)[O-])cc1 ZINC000009313234 555089071 /nfs/dbraw/zinc/08/90/71/555089071.db2.gz AXVIKEQTAYLUKG-QUMGSSFMSA-N 0 0 484.512 4.557 40 5 JJBBRN COc1cccc(OCc2nnc(SCC(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)o2)c1 ZINC000019928593 555544382 /nfs/dbraw/zinc/54/43/82/555544382.db2.gz XXDOIHUMNJFEKS-UHFFFAOYSA-N 0 0 485.305 4.603 40 5 JJBBRN O=C(Cn1c(=O)c2c(nc1-c1ccccc1)sc1c2CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000019996490 555576975 /nfs/dbraw/zinc/57/69/75/555576975.db2.gz WMRRYZJPXZEDCX-UHFFFAOYSA-N 0 0 460.515 4.551 40 5 JJBBRN CCc1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2CC)cc1 ZINC000013842270 555631811 /nfs/dbraw/zinc/63/18/11/555631811.db2.gz AWBYUKPTGRGEFJ-UHFFFAOYSA-N 0 0 475.958 4.732 40 5 JJBBRN COc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000013925821 555647799 /nfs/dbraw/zinc/64/77/99/555647799.db2.gz GLLSHIBVEGUHIH-UNOMPAQXSA-N 0 0 478.844 4.821 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)S(C)(=O)=O ZINC000010331079 555687697 /nfs/dbraw/zinc/68/76/97/555687697.db2.gz ODBMJRZXDLMKBA-UHFFFAOYSA-N 0 0 489.937 4.754 40 5 JJBBRN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000010372864 555700607 /nfs/dbraw/zinc/70/06/07/555700607.db2.gz GHEPRPDHKANLBY-UHFFFAOYSA-N 0 0 463.456 4.901 40 5 JJBBRN O=C(Nc1nc2c(ccc(Cl)c2Cl)s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000010916987 555747390 /nfs/dbraw/zinc/74/73/90/555747390.db2.gz PJLKPUQPCPWWHB-UHFFFAOYSA-N 0 0 453.307 4.600 40 5 JJBBRN COc1ccc(-c2ccc(C(=O)Nc3ccc(CSc4n[nH]c(C)n4)cc3)o2)c([N+](=O)[O-])c1 ZINC000020293632 555762358 /nfs/dbraw/zinc/76/23/58/555762358.db2.gz INSWXQZTTYZPEB-UHFFFAOYSA-N 0 0 465.491 4.835 40 5 JJBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)cc1[N+](=O)[O-] ZINC000014271152 555765237 /nfs/dbraw/zinc/76/52/37/555765237.db2.gz LGTYWHOGMWMUIZ-UHFFFAOYSA-N 0 0 458.721 4.536 40 5 JJBBRN O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)C(c1ccccc1)c1ccccc1 ZINC000014273777 555774506 /nfs/dbraw/zinc/77/45/06/555774506.db2.gz LQEPTVJDMIZBHK-UHFFFAOYSA-N 0 0 495.004 4.603 40 5 JJBBRN O=C(C=Cc1ccc(Cl)cc1Cl)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000014273781 555774552 /nfs/dbraw/zinc/77/45/52/555774552.db2.gz WNQTZKRDETZBPE-FNORWQNLSA-N 0 0 499.807 4.792 40 5 JJBBRN O=C(NC(=S)Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014274708 555777560 /nfs/dbraw/zinc/77/75/60/555777560.db2.gz VPQGBNUGBFPZBA-UHFFFAOYSA-N 0 0 488.529 4.525 40 5 JJBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccc(C)cc4o3)c2)cc1[N+](=O)[O-] ZINC000014275123 555779799 /nfs/dbraw/zinc/77/97/99/555779799.db2.gz GIKSRZMEDSFPHL-UHFFFAOYSA-N 0 0 492.513 4.943 40 5 JJBBRN CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000014275781 555781722 /nfs/dbraw/zinc/78/17/22/555781722.db2.gz CWHFCCUEJQVFLJ-UHFFFAOYSA-N 0 0 474.546 4.635 40 5 JJBBRN O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014277442 555786038 /nfs/dbraw/zinc/78/60/38/555786038.db2.gz IVUIDYKHNVUZLK-UHFFFAOYSA-N 0 0 479.880 4.540 40 5 JJBBRN Cc1c(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000014410895 555810042 /nfs/dbraw/zinc/81/00/42/555810042.db2.gz PKBKMYVOWSFRKW-VWLOTQADSA-N 0 0 461.543 4.972 40 5 JJBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccc(C)cc2C)cc1 ZINC000014412775 555812050 /nfs/dbraw/zinc/81/20/50/555812050.db2.gz IUTASQDRPPKKMG-UHFFFAOYSA-N 0 0 467.547 4.662 40 5 JJBBRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000014831620 555840473 /nfs/dbraw/zinc/84/04/73/555840473.db2.gz RAHSQTOOOKTLCT-OVCLIPMQSA-N 0 0 451.504 4.664 40 5 JJBBRN Cc1ccc(S(=O)(=O)N2c3ccccc3[C@@H]3Sc4ccc([N+](=O)[O-])cc4[C@H]2N3C)cc1 ZINC000015188028 555883214 /nfs/dbraw/zinc/88/32/14/555883214.db2.gz MACLCUAUEDKUJH-VXKWHMMOSA-N 0 0 453.545 4.847 40 5 JJBBRN Cc1cc(OCC(=O)N(Cc2nc(-c3ccccc3)no2)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000022257210 555904999 /nfs/dbraw/zinc/90/49/99/555904999.db2.gz QBVITCWSCSAODA-UHFFFAOYSA-N 0 0 450.495 4.694 40 5 JJBBRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000015438743 555908859 /nfs/dbraw/zinc/90/88/59/555908859.db2.gz NIMDTADQFIHBMN-UHFFFAOYSA-N 0 0 466.302 4.955 40 5 JJBBRN Cc1cccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)c1 ZINC000022565009 555935541 /nfs/dbraw/zinc/93/55/41/555935541.db2.gz KMFSWMCCRJEFMT-UHFFFAOYSA-N 0 0 458.474 4.800 40 5 JJBBRN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022567967 555936770 /nfs/dbraw/zinc/93/67/70/555936770.db2.gz PKUTVBATBNWHFP-UHFFFAOYSA-N 0 0 460.515 4.960 40 5 JJBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000022742227 555949629 /nfs/dbraw/zinc/94/96/29/555949629.db2.gz YUDVXUOHYIKTNG-QHHAFSJGSA-N 0 0 484.818 4.537 40 5 JJBBRN O=C(Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1)c1cc2ccccc2o1 ZINC000022743815 555950240 /nfs/dbraw/zinc/95/02/40/555950240.db2.gz OSIUOBARWGWSRA-UHFFFAOYSA-N 0 0 486.484 4.682 40 5 JJBBRN COc1c(Cl)cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1Cl ZINC000016194500 556128571 /nfs/dbraw/zinc/12/85/71/556128571.db2.gz NEZUGTBJYMIMPG-UHFFFAOYSA-N 0 0 478.254 4.891 40 5 JJBBRN CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2c1 ZINC000016321492 556135119 /nfs/dbraw/zinc/13/51/19/556135119.db2.gz SRBNRKWCKSTATG-UHFFFAOYSA-N 0 0 481.515 4.550 40 5 JJBBRN CC(C)c1ccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000016575800 556144952 /nfs/dbraw/zinc/14/49/52/556144952.db2.gz GMCHHUKPLDAOPF-UHFFFAOYSA-N 0 0 480.512 4.574 40 5 JJBBRN O=C1[C@@H]2[C@H](c3ccc(Cl)cc3Cl)N(c3cccc([N+](=O)[O-])c3)O[C@@H]2C(=O)N1c1ccccc1 ZINC000018068587 556283401 /nfs/dbraw/zinc/28/34/01/556283401.db2.gz GJVYHXULAHPFTM-HKBOAZHASA-N 0 0 484.295 4.953 40 5 JJBBRN CC1CCN(c2ccc(C(=O)Nc3cccc(Cl)c3N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000057313698 569596709 /nfs/dbraw/zinc/59/67/09/569596709.db2.gz CHJKLSPMLQZMCK-UHFFFAOYSA-N 0 0 458.946 4.573 40 5 JJBBRN CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3)nn12 ZINC000057316940 569598242 /nfs/dbraw/zinc/59/82/42/569598242.db2.gz QBPXSMBAFKUSSD-UHFFFAOYSA-N 0 0 477.550 4.566 40 5 JJBBRN O=C(Oc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000059422862 569603516 /nfs/dbraw/zinc/60/35/16/569603516.db2.gz FGGGFBJYLHOJOA-JMIUGGIZSA-N 0 0 491.437 4.963 40 5 JJBBRN N=c1nc(Sc2ccc([C@@H](Nc3ccccn3)n3nnc4ccccc43)cc2[N+](=O)[O-])ss1 ZINC000059488708 569605616 /nfs/dbraw/zinc/60/56/16/569605616.db2.gz BHTSEBGOUIPLBW-SFHVURJKSA-N 0 0 494.587 4.542 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 ZINC000034138508 569639605 /nfs/dbraw/zinc/63/96/05/569639605.db2.gz KXKVQHICADOUGK-XMMPIXPASA-N 0 0 472.501 4.861 40 5 JJBBRN CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000034759401 569657467 /nfs/dbraw/zinc/65/74/67/569657467.db2.gz XMQDHARNAOZDGK-UHFFFAOYSA-N 0 0 452.492 4.720 40 5 JJBBRN Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1[N+](=O)[O-] ZINC000035272003 569679335 /nfs/dbraw/zinc/67/93/35/569679335.db2.gz WISDYCVQLVWKTC-UHFFFAOYSA-N 0 0 468.922 4.936 40 5 JJBBRN C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C ZINC000035351685 569681777 /nfs/dbraw/zinc/68/17/77/569681777.db2.gz WUZZRINDAXLSIP-LLVKDONJSA-N 0 0 466.350 4.813 40 5 JJBBRN COc1ccc(C=C2c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1OC ZINC000100045970 569751923 /nfs/dbraw/zinc/75/19/23/569751923.db2.gz YLFVEEBHHRKQCO-UHFFFAOYSA-N 0 0 494.372 4.906 40 5 JJBBRN O=[N+]([O-])c1cc(Br)c(-c2c(Br)cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000100099240 569752990 /nfs/dbraw/zinc/75/29/90/569752990.db2.gz XOXMWLIDYSNDBY-UHFFFAOYSA-N 0 0 491.992 4.511 40 5 JJBBRN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN21 ZINC000036311771 569759732 /nfs/dbraw/zinc/75/97/32/569759732.db2.gz CIEPJQVBYARERO-JPYYHWIRSA-N 0 0 485.565 4.722 40 5 JJBBRN COc1ccc([C@@H]2c3sc(=S)[nH]c3S[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]32)cc1 ZINC000100971965 569778104 /nfs/dbraw/zinc/77/81/04/569778104.db2.gz JVDKEMULXKCWNZ-UXLLHSPISA-N 0 0 485.568 4.518 40 5 JJBBRN COc1ccc([C@H]2c3sc(=S)[nH]c3S[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]32)cc1 ZINC000100971968 569778126 /nfs/dbraw/zinc/77/81/26/569778126.db2.gz JVDKEMULXKCWNZ-INMHGKMJSA-N 0 0 485.568 4.518 40 5 JJBBRN CCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 ZINC000100978731 569778518 /nfs/dbraw/zinc/77/85/18/569778518.db2.gz PAKCWQZRQFKPKC-GVAUOCQISA-N 0 0 487.512 4.825 40 5 JJBBRN COc1ccc(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)cc2)cc1 ZINC000039752578 569811396 /nfs/dbraw/zinc/81/13/96/569811396.db2.gz ABYKTTYKJHKNKR-UHFFFAOYSA-N 0 0 475.486 4.627 40 5 JJBBRN COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000039763210 569811638 /nfs/dbraw/zinc/81/16/38/569811638.db2.gz FIDASYOYJDFELV-UHFFFAOYSA-N 0 0 475.486 4.627 40 5 JJBBRN COc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3)o2)cc1 ZINC000039767243 569811776 /nfs/dbraw/zinc/81/17/76/569811776.db2.gz NADSYIADCHDFTK-LHHJGKSTSA-N 0 0 485.456 4.558 40 5 JJBBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(OC(F)(F)F)cc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000102759798 569821826 /nfs/dbraw/zinc/82/18/26/569821826.db2.gz JQULETKQGCNLTD-HBMCJLEFSA-N 0 0 499.401 4.545 40 5 JJBBRN Cc1ccc(C(=O)[C@H]2[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]3CSCN3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000105346343 569852864 /nfs/dbraw/zinc/85/28/64/569852864.db2.gz QPGZIVYPMJDZHQ-ANNHOSHMSA-N 0 0 485.565 4.722 40 5 JJBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(F)F ZINC000106739271 569855310 /nfs/dbraw/zinc/85/53/10/569855310.db2.gz JUYBRQQXNUCJIH-YVLHZVERSA-N 0 0 450.419 4.831 40 5 JJBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=O)o1 ZINC000108141853 569858834 /nfs/dbraw/zinc/85/88/34/569858834.db2.gz MBXQMPHNJWEOAT-VXLYETTFSA-N 0 0 468.443 4.779 40 5 JJBBRN O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000205701745 569874169 /nfs/dbraw/zinc/87/41/69/569874169.db2.gz HVZFYZAKACOULI-YBFXNURJSA-N 0 0 451.416 5.000 40 5 JJBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222786498 569891070 /nfs/dbraw/zinc/89/10/70/569891070.db2.gz HICQYSGDZLEODZ-MRXNPFEDSA-N 0 0 478.014 4.813 40 5 JJBBRN C[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000222913221 569894221 /nfs/dbraw/zinc/89/42/21/569894221.db2.gz ZMHYVGCZYBYFDP-IBGZPJMESA-N 0 0 493.585 4.546 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)o1 ZINC000222941592 569895065 /nfs/dbraw/zinc/89/50/65/569895065.db2.gz SGIXRISRAPUCNV-FCHUYYIVSA-N 0 0 452.536 4.887 40 5 JJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223085383 569898988 /nfs/dbraw/zinc/89/89/88/569898988.db2.gz ABABBNCAZXPWMC-VWLOTQADSA-N 0 0 491.613 4.604 40 5 JJBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223226597 569904143 /nfs/dbraw/zinc/90/41/43/569904143.db2.gz BMNOEWJOCOFYRQ-JOCHJYFZSA-N 0 0 471.623 4.859 40 5 JJBBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000223434417 569911292 /nfs/dbraw/zinc/91/12/92/569911292.db2.gz RWAYNISNVFBLRZ-JWQCQUIFSA-N 0 0 485.569 4.962 40 5 JJBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)o1 ZINC000223512483 569914089 /nfs/dbraw/zinc/91/40/89/569914089.db2.gz DCPUYYXTJLDDLA-GOTSBHOMSA-N 0 0 457.515 4.818 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)o1 ZINC000223556955 569915909 /nfs/dbraw/zinc/91/59/09/569915909.db2.gz GMUUXAPFRAXYGO-RPWUZVMVSA-N 0 0 487.541 4.826 40 5 JJBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)o2)c1 ZINC000223560773 569916049 /nfs/dbraw/zinc/91/60/49/569916049.db2.gz PWFPZGWQJNPVAA-DHIUTWEWSA-N 0 0 457.515 4.818 40 5 JJBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)o2)cc1 ZINC000223561213 569916139 /nfs/dbraw/zinc/91/61/39/569916139.db2.gz KVQDCOQSQNRDMC-GOTSBHOMSA-N 0 0 457.515 4.818 40 5 JJBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223610767 569917858 /nfs/dbraw/zinc/91/78/58/569917858.db2.gz BPCBOTCDZSKZCU-QHCPKHFHSA-N 0 0 471.623 4.860 40 5 JJBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223704345 569920512 /nfs/dbraw/zinc/92/05/12/569920512.db2.gz NVYHXIZPMMDUTP-HSZRJFAPSA-N 0 0 471.623 4.860 40 5 JJBBRN Cc1ccccc1CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)NC1CCCC1 ZINC000223758988 569922338 /nfs/dbraw/zinc/92/23/38/569922338.db2.gz GGHNPONUMJPXEC-IBGZPJMESA-N 0 0 469.607 4.613 40 5 JJBBRN Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223794036 569923537 /nfs/dbraw/zinc/92/35/37/569923537.db2.gz GCIAYDPCWWRGRN-IBGZPJMESA-N 0 0 469.607 4.613 40 5 JJBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223832157 569924614 /nfs/dbraw/zinc/92/46/14/569924614.db2.gz KRTTUYZPNVJTKS-QGZVFWFLSA-N 0 0 490.025 4.958 40 5 JJBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 ZINC000223870469 569925739 /nfs/dbraw/zinc/92/57/39/569925739.db2.gz QOIPXDWESCUUKX-DHIUTWEWSA-N 0 0 457.515 4.663 40 5 JJBBRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223947418 569928063 /nfs/dbraw/zinc/92/80/63/569928063.db2.gz KJFLIVCQAHZWNN-HSZRJFAPSA-N 0 0 487.622 4.560 40 5 JJBBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000223987199 569929551 /nfs/dbraw/zinc/92/95/51/569929551.db2.gz XXGAJSAFDJCEEI-JWQCQUIFSA-N 0 0 498.568 4.916 40 5 JJBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224019242 569930742 /nfs/dbraw/zinc/93/07/42/569930742.db2.gz OYJRUUBUJYKQRE-INIZCTEOSA-N 0 0 478.014 4.813 40 5 JJBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224113686 569933641 /nfs/dbraw/zinc/93/36/41/569933641.db2.gz CXSSFTUWJKCABF-SANMLTNESA-N 0 0 473.573 4.612 40 5 JJBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224114872 569933664 /nfs/dbraw/zinc/93/36/64/569933664.db2.gz IHRBDOYHSKJXGN-HSZRJFAPSA-N 0 0 469.607 4.694 40 5 JJBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224160604 569934943 /nfs/dbraw/zinc/93/49/43/569934943.db2.gz DRYIFVPEPHJYGM-VWLOTQADSA-N 0 0 473.573 4.692 40 5 JJBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224368449 569942255 /nfs/dbraw/zinc/94/22/55/569942255.db2.gz LXPRILUAMJGEIV-QHCPKHFHSA-N 0 0 487.597 4.833 40 5 JJBBRN CC(C)CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224389723 569942988 /nfs/dbraw/zinc/94/29/88/569942988.db2.gz IYYQXCTVKVAHKW-OAHLLOKOSA-N 0 0 466.365 4.634 40 5 JJBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224427009 569944238 /nfs/dbraw/zinc/94/42/38/569944238.db2.gz DGDUAIWMTHKHCZ-RUZDIDTESA-N 0 0 491.563 4.831 40 5 JJBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224761842 569956540 /nfs/dbraw/zinc/95/65/40/569956540.db2.gz WHKZRBMXHPAKFY-QGZVFWFLSA-N 0 0 457.958 4.657 40 5 JJBBRN CCCC[C@H](CC)CNC(=O)c1ccc(CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 ZINC000224862955 569960646 /nfs/dbraw/zinc/96/06/46/569960646.db2.gz GXTHBLSGGQWUSW-IBGZPJMESA-N 0 0 475.611 4.816 40 5 JJBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224876874 569961346 /nfs/dbraw/zinc/96/13/46/569961346.db2.gz PECBVGNFSHBEPM-RUZDIDTESA-N 0 0 493.991 4.955 40 5 JJBBRN CS(=O)(=O)N(CCCC(=O)Nc1ccc2c3c(cccc31)CC2)c1cc([N+](=O)[O-])ccc1Cl ZINC000224937078 569964127 /nfs/dbraw/zinc/96/41/27/569964127.db2.gz YGBAHBGLFBGKHZ-UHFFFAOYSA-N 0 0 487.965 4.685 40 5 JJBBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)NC(=S)N1 ZINC000408605910 569971035 /nfs/dbraw/zinc/97/10/35/569971035.db2.gz NJTCGJBMYZLDEX-HXUWFJFHSA-N 0 0 468.922 4.940 40 5 JJBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225069305 569973267 /nfs/dbraw/zinc/97/32/67/569973267.db2.gz DNQGLLGWTRMIDK-HSZRJFAPSA-N 0 0 451.567 4.702 40 5 JJBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225128373 569976942 /nfs/dbraw/zinc/97/69/42/569976942.db2.gz LKMLFWRWPKBDGA-KRWDZBQOSA-N 0 0 457.958 4.657 40 5 JJBBRN CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]12 ZINC000408623235 569979231 /nfs/dbraw/zinc/97/92/31/569979231.db2.gz RHKFIMMSMUWTAI-FPMFRTRJSA-N 0 0 458.901 4.993 40 5 JJBBRN O=C1[C@H]2[C@@H](C(=O)N1c1cccc(Cl)c1Cl)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000408623631 569979494 /nfs/dbraw/zinc/97/94/94/569979494.db2.gz RIVPLFWAMZGSRH-ZUKXXSLGSA-N 0 0 465.292 4.778 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225173970 569980249 /nfs/dbraw/zinc/98/02/49/569980249.db2.gz NLKSAQQZYSLBPS-SJORKVTESA-N 0 0 478.014 4.813 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)CC1=O ZINC000408640270 569988843 /nfs/dbraw/zinc/98/88/43/569988843.db2.gz IHMVMHCQQZSZAQ-QGZVFWFLSA-N 0 0 461.474 4.696 40 5 JJBBRN CC[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)C(=O)c1ccccc1 ZINC000408652946 569995214 /nfs/dbraw/zinc/99/52/14/569995214.db2.gz PHBBOYUAYBNNQN-URXFXBBRSA-N 0 0 472.497 4.819 40 5 JJBBRN CC[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccccc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408654511 569996173 /nfs/dbraw/zinc/99/61/73/569996173.db2.gz QRYDJLUHXSTKFL-IBGZPJMESA-N 0 0 491.887 4.563 40 5 JJBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408657514 569998246 /nfs/dbraw/zinc/99/82/46/569998246.db2.gz UKLHSCOHESJUKZ-KRWDZBQOSA-N 0 0 494.887 4.820 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225495038 569999847 /nfs/dbraw/zinc/99/98/47/569999847.db2.gz PZRJMERRXBVPGR-AUSIDOKSSA-N 0 0 471.623 4.859 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225644087 570011920 /nfs/dbraw/zinc/01/19/20/570011920.db2.gz AUUAEIMUVHSSQX-VGSWGCGISA-N 0 0 475.586 4.689 40 5 JJBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000408681264 570012585 /nfs/dbraw/zinc/01/25/85/570012585.db2.gz HNBSLZUQZVTZHM-IAGOWNOFSA-N 0 0 476.316 4.634 40 5 JJBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000408683231 570013177 /nfs/dbraw/zinc/01/31/77/570013177.db2.gz KWQZUMSJRPAKSL-IAGOWNOFSA-N 0 0 476.316 4.634 40 5 JJBBRN C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000408683302 570013199 /nfs/dbraw/zinc/01/31/99/570013199.db2.gz LCSUBGVNYBKRAK-UPRAQXHNSA-N 0 0 490.343 4.880 40 5 JJBBRN O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408684486 570013568 /nfs/dbraw/zinc/01/35/68/570013568.db2.gz NPHBHPQHNMFUBQ-UHFFFAOYSA-N 0 0 470.268 4.755 40 5 JJBBRN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000408684745 570013623 /nfs/dbraw/zinc/01/36/23/570013623.db2.gz NYFQHZNNJJUSMI-JOCHJYFZSA-N 0 0 471.918 4.855 40 5 JJBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000408686311 570014051 /nfs/dbraw/zinc/01/40/51/570014051.db2.gz RMOBQWIQVZNIEU-BVGQSLNGSA-N 0 0 490.343 4.880 40 5 JJBBRN C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000408686314 570014098 /nfs/dbraw/zinc/01/40/98/570014098.db2.gz RMOBQWIQVZNIEU-XWIAVFTESA-N 0 0 490.343 4.880 40 5 JJBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000408688346 570014571 /nfs/dbraw/zinc/01/45/71/570014571.db2.gz WAXSAJUNHQVCEJ-BVGQSLNGSA-N 0 0 490.343 4.880 40 5 JJBBRN CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 ZINC000408688648 570014596 /nfs/dbraw/zinc/01/45/96/570014596.db2.gz WKTJXWPFDLALCM-WMZOPIPTSA-N 0 0 488.327 4.800 40 5 JJBBRN CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 ZINC000408688642 570014604 /nfs/dbraw/zinc/01/46/04/570014604.db2.gz WKTJXWPFDLALCM-AEFFLSMTSA-N 0 0 488.327 4.800 40 5 JJBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2)n(-c2ccc(Br)cc2)n1 ZINC000408693736 570016418 /nfs/dbraw/zinc/01/64/18/570016418.db2.gz CSRILAKQXHFKBX-UHFFFAOYSA-N 0 0 464.279 4.857 40 5 JJBBRN COc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Br)cc2)cc1 ZINC000408696082 570018308 /nfs/dbraw/zinc/01/83/08/570018308.db2.gz VXXIIXQBTFNBLL-UHFFFAOYSA-N 0 0 494.305 4.866 40 5 JJBBRN Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000225761876 570020544 /nfs/dbraw/zinc/02/05/44/570020544.db2.gz FTTUAMHBGKPSCV-MHZLTWQESA-N 0 0 487.600 4.858 40 5 JJBBRN CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cc1 ZINC000408704120 570023677 /nfs/dbraw/zinc/02/36/77/570023677.db2.gz XRZQSPYOCCASNA-UHFFFAOYSA-N 0 0 471.560 4.703 40 5 JJBBRN Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccccc2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]21 ZINC000408730490 570029064 /nfs/dbraw/zinc/02/90/64/570029064.db2.gz GRACRZGYACRUJA-FSAHKVHBSA-N 0 0 494.503 4.733 40 5 JJBBRN O=C(Oc1ccc(Br)cc1/C=C1/N=C(c2ccc([N+](=O)[O-])cc2)OC1=O)c1ccccc1 ZINC000408841852 570053817 /nfs/dbraw/zinc/05/38/17/570053817.db2.gz IBADHBJGEPVLLR-CPNJWEJPSA-N 0 0 493.269 4.921 40 5 JJBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(CN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl ZINC000408848219 570055129 /nfs/dbraw/zinc/05/51/29/570055129.db2.gz UTRSJZUXJYZRTB-UHFFFAOYSA-N 0 0 470.268 4.802 40 5 JJBBRN CC1=NN(c2ccccc2)C(=O)[C@@]12[C@H](c1ccccc1[N+](=O)[O-])[C@@]21C(C)=NN(c2ccccc2)C1=O ZINC000248059854 570073450 /nfs/dbraw/zinc/07/34/50/570073450.db2.gz VITOVSAHCTYVSZ-JNMKDEPVSA-N 0 0 479.496 4.510 40 5 JJBBRN O=C1[C@H]2[C@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000408918277 570076167 /nfs/dbraw/zinc/07/61/67/570076167.db2.gz IIGLHPCOQPGXFW-YQORSWRPSA-N 0 0 465.292 4.995 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21 ZINC000408919076 570076541 /nfs/dbraw/zinc/07/65/41/570076541.db2.gz 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COc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(O)cc2)cc1 ZINC000006177389 523324499 /nfs/dbraw/zinc/32/44/99/523324499.db2.gz UMYMOYJOGPDDIB-OAHLLOKOSA-N 0 0 491.529 4.676 40 5 JJBBRN CCc1cc2c(nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n(-c3ccccc3)c2=O)s1 ZINC000016161319 523847059 /nfs/dbraw/zinc/84/70/59/523847059.db2.gz BZQBCBIUWIZBNP-UHFFFAOYSA-N 0 0 466.544 4.649 40 5 JJBBRN Cc1ccc(OCc2nnc(SCC(=O)c3cc([N+](=O)[O-])ccc3Br)o2)cc1C ZINC000019927336 525451915 /nfs/dbraw/zinc/45/19/15/525451915.db2.gz NDUOPAJSZAGUBO-UHFFFAOYSA-N 0 0 478.324 4.911 40 5 JJBBRN Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006280087 525900024 /nfs/dbraw/zinc/90/00/24/525900024.db2.gz WDTDEOUGULLPNY-UHFFFAOYSA-N 0 0 490.501 4.790 40 5 JJBBRN C[C@@H](Sc1nnc(-c2ccc(O)cc2)n1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006177401 526008605 /nfs/dbraw/zinc/00/86/05/526008605.db2.gz YMWDJERZMSZHHD-OAHLLOKOSA-N 0 0 461.503 4.667 40 5 JJBBRN Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)n1 ZINC000008686217 526398829 /nfs/dbraw/zinc/39/88/29/526398829.db2.gz MCIRLFAXLUNNCG-IFIJOSMWSA-N 0 0 463.581 4.609 40 5 JJBBRN O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1cccc2c(Cl)cccc12 ZINC000016431566 527458427 /nfs/dbraw/zinc/45/84/27/527458427.db2.gz NBGWKPLFOBOXCW-UHFFFAOYSA-N 0 0 489.384 4.892 40 5 JJBBRN Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3Br)o2)cc1[N+](=O)[O-] ZINC000000853505 553799104 /nfs/dbraw/zinc/79/91/04/553799104.db2.gz QIZVXAHALNBZMV-LLVKDONJSA-N 0 0 463.313 4.835 40 5 JJBBRN CCn1c(CNc2cccc(C(F)(F)F)c2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000000976290 553888700 /nfs/dbraw/zinc/88/87/00/553888700.db2.gz LCPGCTKLUCIBIV-UHFFFAOYSA-N 0 0 494.499 4.876 40 5 JJBBRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 ZINC000006245562 554521988 /nfs/dbraw/zinc/52/19/88/554521988.db2.gz OQSWTQNBQDNRKK-UHFFFAOYSA-N 0 0 475.530 4.794 40 5 JJBBRN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nnc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006280186 554524492 /nfs/dbraw/zinc/52/44/92/554524492.db2.gz CHVDJJOADBBPAW-UHFFFAOYSA-N 0 0 490.501 4.790 40 5 JJBBRN C[C@@H](Sc1nnc(-c2ccc(O)cc2)n1Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000008435659 554587626 /nfs/dbraw/zinc/58/76/26/554587626.db2.gz XMIXASDDCJQXRG-MRXNPFEDSA-N 0 0 475.530 4.727 40 5 JJBBRN COc1ccc(NC(=O)COc2ccc3c(c2)c2ccnc4c2n3c(=O)c2ccccc24)c(OC)c1 ZINC000008792217 554685512 /nfs/dbraw/zinc/68/55/12/554685512.db2.gz QQYFZRIWFIZMCX-UHFFFAOYSA-N 0 0 479.492 4.627 40 5 biogenic JJBBRN COc1ccc(CNC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2ccccc24)cc1 ZINC000008792267 554685550 /nfs/dbraw/zinc/68/55/50/554685550.db2.gz YGFLOUZTPCPXBJ-KRWDZBQOSA-N 0 0 477.520 4.684 40 5 biogenic JJBBRN COc1ccc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)cc1[N+](=O)[O-] ZINC000008831274 554721817 /nfs/dbraw/zinc/72/18/17/554721817.db2.gz KAEZOKVPWVASNR-UHFFFAOYSA-N 0 0 460.309 4.646 40 5 JJBBRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(I)c1 ZINC000008832073 554725091 /nfs/dbraw/zinc/72/50/91/554725091.db2.gz FLJNPAYVHKXJMT-UHFFFAOYSA-N 0 0 451.245 4.575 40 5 JJBBRN COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000008832274 554726175 /nfs/dbraw/zinc/72/61/75/554726175.db2.gz SECMQFDDLWAHIF-VOTSOKGWSA-N 0 0 456.090 4.780 40 5 JJBBRN O=C(NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000008833155 554730005 /nfs/dbraw/zinc/73/00/05/554730005.db2.gz SHGJELVXSHWAEB-UHFFFAOYSA-N 0 0 488.013 4.966 40 5 JJBBRN COc1c(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2C)cc2ccccc2c1Br ZINC000008833228 554730449 /nfs/dbraw/zinc/73/04/49/554730449.db2.gz DCWNMRNXLOYPIA-UHFFFAOYSA-N 0 0 474.336 4.954 40 5 JJBBRN COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c(O)c2)cc1[N+](=O)[O-] ZINC000008833320 554730789 /nfs/dbraw/zinc/73/07/89/554730789.db2.gz MULCOWLTTFNOPF-UHFFFAOYSA-N 0 0 478.486 4.552 40 5 JJBBRN COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1[N+](=O)[O-] ZINC000008835674 554735020 /nfs/dbraw/zinc/73/50/20/554735020.db2.gz NGINDOWSNCYTNM-UHFFFAOYSA-N 0 0 490.497 4.729 40 5 JJBBRN CCOc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1[N+](=O)[O-] ZINC000008893415 554782251 /nfs/dbraw/zinc/78/22/51/554782251.db2.gz QDCQYGGDRDJCOF-UHFFFAOYSA-N 0 0 476.514 4.606 40 5 JJBBRN O=C(Nc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1)c1cccc(Cl)c1 ZINC000008900850 554793547 /nfs/dbraw/zinc/79/35/47/554793547.db2.gz BMSFXTKCBPBWLF-UHFFFAOYSA-N 0 0 480.908 4.589 40 5 JJBBRN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000008901995 554795725 /nfs/dbraw/zinc/79/57/25/554795725.db2.gz IGKXKKPWAQDNAJ-UHFFFAOYSA-N 0 0 484.965 4.833 40 5 JJBBRN COc1ccc(Nc2nc(Nc3ccc(I)cc3)nc(C)c2[N+](=O)[O-])cc1 ZINC000008935275 554830023 /nfs/dbraw/zinc/83/00/23/554830023.db2.gz KXBPJAPETIZOIJ-UHFFFAOYSA-N 0 0 477.262 4.794 40 5 JJBBRN O=C(Nc1ccc(NC(=O)c2ccccc2Br)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000009057255 554876553 /nfs/dbraw/zinc/87/65/53/554876553.db2.gz BSZMFQGIVPNDST-UHFFFAOYSA-N 0 0 485.250 4.770 40 5 JJBBRN Cc1cccc(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)c2)c1 ZINC000009062461 554879917 /nfs/dbraw/zinc/87/99/17/554879917.db2.gz GANKTRHBJPVETD-UHFFFAOYSA-N 0 0 459.487 4.926 40 5 JJBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1NC(=O)C(Cl)(Cl)Cl ZINC000009062500 554880257 /nfs/dbraw/zinc/88/02/57/554880257.db2.gz JWEQNIXIHWSQDH-UHFFFAOYSA-N 0 0 486.724 4.674 40 5 JJBBRN C[C@@H](NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 ZINC000009064661 554883017 /nfs/dbraw/zinc/88/30/17/554883017.db2.gz UFUIOEQWJIFNPA-ASXFNGKXSA-N 0 0 470.639 4.794 40 5 JJBBRN Cc1ccc(N2C(=O)[C@H]3[C@H](ON(c4cccc([N+](=O)[O-])c4)[C@@H]3c3ccccc3Cl)C2=O)cc1 ZINC000009281802 555051261 /nfs/dbraw/zinc/05/12/61/555051261.db2.gz BOPVQJYHDXWSQO-VSKRKVRLSA-N 0 0 463.877 4.608 40 5 JJBBRN CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1nc2cc3c(cc2cc1CC)OCO3 ZINC000013503601 555461298 /nfs/dbraw/zinc/46/12/98/555461298.db2.gz BYYONQMATZPTHK-UHFFFAOYSA-N 0 0 499.545 4.962 40 5 JJBBRN O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1Cl ZINC000019856137 555513994 /nfs/dbraw/zinc/51/39/94/555513994.db2.gz ROEZBHLTRIKBAU-UHFFFAOYSA-N 0 0 480.329 4.736 40 5 JJBBRN CCn1c(SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])nnc1-c1ccc(Br)cc1 ZINC000019927719 555542580 /nfs/dbraw/zinc/54/25/80/555542580.db2.gz ZCFWKYFDWLZOPJ-UHFFFAOYSA-N 0 0 476.356 4.675 40 5 JJBBRN CCn1c(SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])nnc1-c1cc(Cl)ccc1OC ZINC000019929383 555546458 /nfs/dbraw/zinc/54/64/58/555546458.db2.gz GWHRKBSCEFCTBW-UHFFFAOYSA-N 0 0 461.931 4.574 40 5 JJBBRN COc1cc(-c2nc3cc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3o2)cc(OC)c1OC ZINC000010120214 555632523 /nfs/dbraw/zinc/63/25/23/555632523.db2.gz NTYQZLXSRWGCFY-UHFFFAOYSA-N 0 0 463.446 4.990 40 5 JJBBRN COc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1-c1ccc(CO)o1 ZINC000020142660 555663608 /nfs/dbraw/zinc/66/36/08/555663608.db2.gz RCRQEETWSKPBTK-UHFFFAOYSA-N 0 0 465.506 4.844 40 5 JJBBRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)CC1 ZINC000020153285 555672123 /nfs/dbraw/zinc/67/21/23/555672123.db2.gz KHMUUDLMDBGPQT-UHFFFAOYSA-N 0 0 494.573 4.710 40 5 JJBBRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2C)cc1 ZINC000010367665 555698482 /nfs/dbraw/zinc/69/84/82/555698482.db2.gz DTAVVPNXWJKKGB-UHFFFAOYSA-N 0 0 459.911 4.918 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000014152449 555708145 /nfs/dbraw/zinc/70/81/45/555708145.db2.gz IJQJBRIINQZIDV-UHFFFAOYSA-N 0 0 464.425 4.810 40 5 JJBBRN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)n2)cc1 ZINC000014152950 555708801 /nfs/dbraw/zinc/70/88/01/555708801.db2.gz RJLCPKFSOKPJTF-UHFFFAOYSA-N 0 0 494.451 4.819 40 5 JJBBRN COc1c(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)cc2ccccc2c1Br ZINC000014270022 555760849 /nfs/dbraw/zinc/76/08/49/555760849.db2.gz ZPMQELABRTYPBU-UHFFFAOYSA-N 0 0 460.309 4.646 40 5 JJBBRN O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000014270412 555762558 /nfs/dbraw/zinc/76/25/58/555762558.db2.gz VBQBEEALTLLGCV-UHFFFAOYSA-N 0 0 451.291 4.793 40 5 JJBBRN Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000014272279 555769404 /nfs/dbraw/zinc/76/94/04/555769404.db2.gz ACDFWPZTAOAZBT-UHFFFAOYSA-N 0 0 458.474 4.800 40 5 JJBBRN Cc1cc(Br)cc(C)c1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014274769 555778015 /nfs/dbraw/zinc/77/80/15/555778015.db2.gz URRSRUJRHHFGCJ-UHFFFAOYSA-N 0 0 477.384 4.701 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cc2ccccc2c(Br)c1OC ZINC000014274833 555778123 /nfs/dbraw/zinc/77/81/23/555778123.db2.gz SHTJZKHWFNEOPL-UHFFFAOYSA-N 0 0 490.335 4.655 40 5 JJBBRN Cc1cc(C)n(-c2cc(N3CCN(c4ccnc5cc(Cl)ccc54)CC3)ccc2[N+](=O)[O-])n1 ZINC000020353022 555780633 /nfs/dbraw/zinc/78/06/33/555780633.db2.gz YQRSMGGRQGEUST-UHFFFAOYSA-N 0 0 462.941 4.926 40 5 JJBBRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000014275890 555782051 /nfs/dbraw/zinc/78/20/51/555782051.db2.gz NLPAFIJKPWJFFT-UHFFFAOYSA-N 0 0 482.525 4.917 40 5 JJBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccccc4[N+](=O)[O-])cc3n2)c(C)c1 ZINC000014278546 555788907 /nfs/dbraw/zinc/78/89/07/555788907.db2.gz FEPAIRITWXZUSC-UHFFFAOYSA-N 0 0 488.548 4.809 40 5 JJBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2cccc(C)c2C)cc1 ZINC000014411152 555810269 /nfs/dbraw/zinc/81/02/69/555810269.db2.gz FBPFSHSIZKWHDD-UHFFFAOYSA-N 0 0 467.547 4.662 40 5 JJBBRN COc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1Br ZINC000014605063 555835652 /nfs/dbraw/zinc/83/56/52/555835652.db2.gz GFIHUHWQOGYOJE-UHFFFAOYSA-N 0 0 479.268 4.650 40 5 JJBBRN COc1cccc(-c2nc3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)c1 ZINC000021579257 555851859 /nfs/dbraw/zinc/85/18/59/555851859.db2.gz HPHLXBPAQXAGTN-UHFFFAOYSA-N 0 0 474.473 4.501 40 5 JJBBRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000022563812 555934862 /nfs/dbraw/zinc/93/48/62/555934862.db2.gz ADIVVYGFAMEZOS-UHFFFAOYSA-N 0 0 457.320 4.647 40 5 JJBBRN Cc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)cc1 ZINC000022564989 555935576 /nfs/dbraw/zinc/93/55/76/555935576.db2.gz DKWMMKCGDWTLLQ-UHFFFAOYSA-N 0 0 458.474 4.800 40 5 JJBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc(OCc2ccccc2)c1 ZINC000022573668 555938042 /nfs/dbraw/zinc/93/80/42/555938042.db2.gz IRTCJXAYQFEMQD-UHFFFAOYSA-N 0 0 464.528 4.910 40 5 JJBBRN COc1ccc2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)nc2c1 ZINC000022710244 555945698 /nfs/dbraw/zinc/94/56/98/555945698.db2.gz FXPJYZNWUCKLMS-UHFFFAOYSA-N 0 0 474.473 4.501 40 5 JJBBRN O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022748102 555951734 /nfs/dbraw/zinc/95/17/34/555951734.db2.gz GRHJIBOOSBOMRK-UHFFFAOYSA-N 0 0 489.768 4.518 40 5 JJBBRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000016284556 556133369 /nfs/dbraw/zinc/13/33/69/556133369.db2.gz RMTDQPHDSZPCOL-UHFFFAOYSA-N 0 0 474.546 4.887 40 5 JJBBRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)COc4ccc([N+](=O)[O-])cc4)ccc3o2)cc1 ZINC000016691957 556152979 /nfs/dbraw/zinc/15/29/79/556152979.db2.gz VRBKDOPZGMJFFT-UHFFFAOYSA-N 0 0 492.513 4.694 40 5 JJBBRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2)cc1 ZINC000030757538 556373640 /nfs/dbraw/zinc/37/36/40/556373640.db2.gz LCESBOLFRYAJAI-UHFFFAOYSA-N 0 0 459.911 4.918 40 5 JJBBRN Cc1cc(NC(=O)COc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032111933 556420779 /nfs/dbraw/zinc/42/07/79/556420779.db2.gz FBSQORGBUWWKLJ-UHFFFAOYSA-N 0 0 490.428 4.827 40 5 JJBBRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1=O ZINC000032124864 556428167 /nfs/dbraw/zinc/42/81/67/556428167.db2.gz QTYKVSHIDLCNBF-WQRHYEAKSA-N 0 0 458.517 4.654 40 5 JJBBRN O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1c(F)cccc1Cl ZINC000032124866 556428186 /nfs/dbraw/zinc/42/81/86/556428186.db2.gz QVNOBOSXIIJVNQ-MFOYZWKCSA-N 0 0 468.915 4.708 40 5 JJBBRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000057312841 569596284 /nfs/dbraw/zinc/59/62/84/569596284.db2.gz XFCGCLAHPQTHIF-DHZHZOJOSA-N 0 0 450.501 4.991 40 5 JJBBRN CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)c3)nn12 ZINC000057316988 569598246 /nfs/dbraw/zinc/59/82/46/569598246.db2.gz HWBPBAWVIKJJBZ-UHFFFAOYSA-N 0 0 491.577 4.812 40 5 JJBBRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)CC1 ZINC000057317123 569598361 /nfs/dbraw/zinc/59/83/61/569598361.db2.gz XRHYJVWGQCIQDI-UHFFFAOYSA-N 0 0 493.608 4.532 40 5 JJBBRN O=C(C1=C2C(O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12)c1cccc([N+](=O)[O-])c1 ZINC000033719454 569631933 /nfs/dbraw/zinc/63/19/33/569631933.db2.gz PIHWZSSHCMEQBB-NEWJYFPISA-N 0 0 499.910 4.647 40 5 JJBBRN O=C(C1=C2C(O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12)c1ccc(Cl)cc1 ZINC000036003764 569746758 /nfs/dbraw/zinc/74/67/58/569746758.db2.gz YIGHDGQXVNRDNI-NEWJYFPISA-N 0 0 499.910 4.647 40 5 JJBBRN CC(C)(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101143703 569784497 /nfs/dbraw/zinc/78/44/97/569784497.db2.gz HVHAQXLUHGXITG-SGNDLWITSA-N 0 0 471.513 4.943 40 5 JJBBRN CC(=O)N1CCN(C(=O)/C=C\c2ccc(Sc3ccccc3C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000037858894 569799545 /nfs/dbraw/zinc/79/95/45/569799545.db2.gz HTGGAYLWTDOFDK-LUAWRHEFSA-N 0 0 453.564 4.573 40 5 JJBBRN O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(Cl)c1 ZINC000039772041 569811878 /nfs/dbraw/zinc/81/18/78/569811878.db2.gz CXWCHBUUIZQGRN-UHFFFAOYSA-N 0 0 463.837 4.803 40 5 JJBBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1c1ccccc1 ZINC000102755229 569821293 /nfs/dbraw/zinc/82/12/93/569821293.db2.gz MNXKREDWCRGYCZ-SDHSZQHLSA-N 0 0 481.464 4.906 40 5 JJBBRN O=C1[C@@H]2[C@H](c3ccc(OC(F)(F)F)cc3)N(c3ccccc3)O[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000102759800 569821791 /nfs/dbraw/zinc/82/17/91/569821791.db2.gz JQULETKQGCNLTD-HKBOAZHASA-N 0 0 499.401 4.545 40 5 JJBBRN O=C1[C@@H]2[C@H](c3cc([N+](=O)[O-])ccc3Cl)N(c3ccccc3)O[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102760656 569822120 /nfs/dbraw/zinc/82/21/20/569822120.db2.gz VFYBMGMVZNNLCW-HKBOAZHASA-N 0 0 484.295 4.953 40 5 JJBBRN Cc1ccc(C(=O)[C@H]2[C@H](c3cccc([N+](=O)[O-])c3)[C@H]3CSCN3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000102772007 569823387 /nfs/dbraw/zinc/82/33/87/569823387.db2.gz GWWBCAZAJVPJLP-ANNHOSHMSA-N 0 0 485.565 4.722 40 5 JJBBRN O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106745672 569855425 /nfs/dbraw/zinc/85/54/25/569855425.db2.gz KLNXTPKPBCUQLD-ODLFYWEKSA-N 0 0 478.442 4.927 40 5 JJBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)Cc2cccc(Cl)c2)cc1 ZINC000108066643 569858485 /nfs/dbraw/zinc/85/84/85/569858485.db2.gz GFPJIEIYOXWYHF-UHFFFAOYSA-N 0 0 487.965 4.695 40 5 JJBBRN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000108226319 569859106 /nfs/dbraw/zinc/85/91/06/569859106.db2.gz BXPGHWMIOMIRQU-XBXARRHUSA-N 0 0 477.348 4.612 40 5 JJBBRN COc1cc2sc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)nc2c(OC)c1 ZINC000108263475 569859363 /nfs/dbraw/zinc/85/93/63/569859363.db2.gz WQPFLOXQGYMYCX-UHFFFAOYSA-N 0 0 484.515 4.609 40 5 JJBBRN O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nccs1)C(c1ccccc1)c1ccccc1 ZINC000197558993 569873691 /nfs/dbraw/zinc/87/36/91/569873691.db2.gz XJEAXUSHZMIWKR-QFIPXVFZSA-N 0 0 486.553 4.549 40 5 JJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)N1CCCCC1 ZINC000205805513 569874400 /nfs/dbraw/zinc/87/44/00/569874400.db2.gz NBAGENXVFSLKKQ-WOJGMQOQSA-N 0 0 475.910 4.557 40 5 JJBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCCCC4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000205815853 569874414 /nfs/dbraw/zinc/87/44/14/569874414.db2.gz HIKCNFLCBHALGS-UDWIEESQSA-N 0 0 469.519 4.520 40 5 JJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1ccccc1 ZINC000214673601 569876863 /nfs/dbraw/zinc/87/68/63/569876863.db2.gz RHMIOEQSBIWDJG-HYARGMPZSA-N 0 0 489.509 4.849 40 5 JJBBRN O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214980977 569877076 /nfs/dbraw/zinc/87/70/76/569877076.db2.gz UTIHYWVNDWKTQO-YBFXNURJSA-N 0 0 451.416 5.000 40 5 JJBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222756299 569890408 /nfs/dbraw/zinc/89/04/08/569890408.db2.gz ZCAZFSHQZVMAPT-IBGZPJMESA-N 0 0 466.365 4.776 40 5 JJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223085321 569899005 /nfs/dbraw/zinc/89/90/05/569899005.db2.gz ABABBNCAZXPWMC-RUZDIDTESA-N 0 0 491.613 4.604 40 5 JJBBRN CC[C@@H](NC(=O)[C@@H](CC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223118380 569899976 /nfs/dbraw/zinc/89/99/76/569899976.db2.gz DRWMWNUKSUZXHG-DHIUTWEWSA-N 0 0 487.622 4.594 40 5 JJBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223194512 569902905 /nfs/dbraw/zinc/90/29/05/569902905.db2.gz CZZRBBRWPBBEPU-QGZVFWFLSA-N 0 0 478.014 4.815 40 5 JJBBRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223287080 569906260 /nfs/dbraw/zinc/90/62/60/569906260.db2.gz NAHCXLADPQVWHM-HNNXBMFYSA-N 0 0 466.365 4.778 40 5 JJBBRN CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223379940 569909365 /nfs/dbraw/zinc/90/93/65/569909365.db2.gz JHIHXYXWIWMZDA-HNNXBMFYSA-N 0 0 466.365 4.778 40 5 JJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223406859 569910200 /nfs/dbraw/zinc/91/02/00/569910200.db2.gz LDJPKZDLFPRQCJ-NRFANRHFSA-N 0 0 475.586 4.689 40 5 JJBBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000223434164 569911288 /nfs/dbraw/zinc/91/12/88/569911288.db2.gz NHFIZIPEZGALEE-JWQCQUIFSA-N 0 0 485.569 4.962 40 5 JJBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)o2)c1 ZINC000223481761 569912834 /nfs/dbraw/zinc/91/28/34/569912834.db2.gz FTFMUZJHOKTHTA-DHIUTWEWSA-N 0 0 457.515 4.818 40 5 JJBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223657815 569919256 /nfs/dbraw/zinc/91/92/56/569919256.db2.gz SMDDJVVVCYBLSA-RXFWQSSRSA-N 0 0 491.563 4.831 40 5 JJBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223715323 569920894 /nfs/dbraw/zinc/92/08/94/569920894.db2.gz VWAYRGLNIPQXLC-FNZWTVRRSA-N 0 0 491.563 4.831 40 5 JJBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000223772897 569922807 /nfs/dbraw/zinc/92/28/07/569922807.db2.gz BTEFPWHNVSHJBB-DNQXCXABSA-N 0 0 471.542 4.966 40 5 JJBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223814889 569924158 /nfs/dbraw/zinc/92/41/58/569924158.db2.gz GZYBTUHBCASMBZ-KRWDZBQOSA-N 0 0 490.025 4.958 40 5 JJBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 ZINC000223870604 569925798 /nfs/dbraw/zinc/92/57/98/569925798.db2.gz QOIPXDWESCUUKX-GOTSBHOMSA-N 0 0 457.515 4.663 40 5 JJBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223943210 569927923 /nfs/dbraw/zinc/92/79/23/569927923.db2.gz WGWCPKQMFCIHKP-OAHLLOKOSA-N 0 0 478.376 4.920 40 5 JJBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1 ZINC000224026072 569931051 /nfs/dbraw/zinc/93/10/51/569931051.db2.gz LLSOZVXTTZDPRZ-RPWUZVMVSA-N 0 0 485.525 4.686 40 5 JJBBRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224209803 569936627 /nfs/dbraw/zinc/93/66/27/569936627.db2.gz YBMAIZNCRFTXPL-KRWDZBQOSA-N 0 0 478.014 4.671 40 5 JJBBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 ZINC000224542913 569947760 /nfs/dbraw/zinc/94/77/60/569947760.db2.gz SCMCDXFAVUMZIU-DNQXCXABSA-N 0 0 471.542 4.966 40 5 JJBBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000224542975 569947768 /nfs/dbraw/zinc/94/77/68/569947768.db2.gz SCBALUMRGIJNRM-ZEQRLZLVSA-N 0 0 471.542 4.966 40 5 JJBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224556759 569948303 /nfs/dbraw/zinc/94/83/03/569948303.db2.gz BZGJLGOMKUGJIY-HSZRJFAPSA-N 0 0 471.623 4.716 40 5 JJBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224568055 569948827 /nfs/dbraw/zinc/94/88/27/569948827.db2.gz XENYUHKPAJJHJF-DEOSSOPVSA-N 0 0 499.633 4.703 40 5 JJBBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000224578508 569949296 /nfs/dbraw/zinc/94/92/96/569949296.db2.gz ZYLSVSMLNBVQHW-BJKOFHAPSA-N 0 0 471.542 4.966 40 5 JJBBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000224578414 569949307 /nfs/dbraw/zinc/94/93/07/569949307.db2.gz ZYLSVSMLNBVQHW-ZEQRLZLVSA-N 0 0 471.542 4.966 40 5 JJBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224828463 569959476 /nfs/dbraw/zinc/95/94/76/569959476.db2.gz UCCZCTBEDULJFJ-UHFFFAOYSA-N 0 0 497.573 4.683 40 5 JJBBRN CCn1c(COc2cccc3ccccc32)nnc1SCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000408596699 569966926 /nfs/dbraw/zinc/96/69/26/569966926.db2.gz SWXOLLGRKDVBFW-UHFFFAOYSA-N 0 0 493.545 4.678 40 5 JJBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225037327 569970971 /nfs/dbraw/zinc/97/09/71/569970971.db2.gz RTYPWUDFGFISML-HSZRJFAPSA-N 0 0 451.567 4.702 40 5 JJBBRN O=[N+]([O-])c1ccc(Sc2nnc(-c3cc(Br)ccc3O)n2-c2ccccc2)nc1 ZINC000408605904 569971026 /nfs/dbraw/zinc/97/10/26/569971026.db2.gz NJPAKQJHDMKPNB-UHFFFAOYSA-N 0 0 470.308 4.857 40 5 JJBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225094002 569974654 /nfs/dbraw/zinc/97/46/54/569974654.db2.gz WUNMDSMFOAVVRD-QHCPKHFHSA-N 0 0 497.592 4.547 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)CC1=O ZINC000408641168 569989222 /nfs/dbraw/zinc/98/92/22/569989222.db2.gz KYFYVAQRYGUAPH-KRWDZBQOSA-N 0 0 461.474 4.696 40 5 JJBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225460071 569997702 /nfs/dbraw/zinc/99/77/02/569997702.db2.gz RVMKGBHLGOBROV-PGRDOPGGSA-N 0 0 457.596 4.550 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225495102 569999770 /nfs/dbraw/zinc/99/97/70/569999770.db2.gz PZRJMERRXBVPGR-XXBNENTESA-N 0 0 471.623 4.859 40 5 JJBBRN O=C(CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1 ZINC000225519543 570002016 /nfs/dbraw/zinc/00/20/16/570002016.db2.gz SRVCBDYTMLGKRZ-LOSJGSFVSA-N 0 0 499.552 4.861 40 5 JJBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225548974 570004868 /nfs/dbraw/zinc/00/48/68/570004868.db2.gz ZUGMSEJAFWWMNQ-RUZDIDTESA-N 0 0 491.613 4.523 40 5 JJBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225549006 570004879 /nfs/dbraw/zinc/00/48/79/570004879.db2.gz ZUGMSEJAFWWMNQ-VWLOTQADSA-N 0 0 491.613 4.523 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225558239 570005545 /nfs/dbraw/zinc/00/55/45/570005545.db2.gz KQNDWEQZPWEGGW-XXBNENTESA-N 0 0 471.623 4.859 40 5 JJBBRN COc1ccc(Cl)cc1-c1nc(SCC(=O)c2cc([N+](=O)[O-])ccc2Br)n[nH]1 ZINC000408675132 570009960 /nfs/dbraw/zinc/00/99/60/570009960.db2.gz SOHABWDDJKDNHC-UHFFFAOYSA-N 0 0 483.731 4.779 40 5 JJBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 ZINC000408681345 570012562 /nfs/dbraw/zinc/01/25/62/570012562.db2.gz HVPFKICCUDRYQX-KMFMINBZSA-N 0 0 490.343 4.880 40 5 JJBBRN C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 ZINC000408681343 570012587 /nfs/dbraw/zinc/01/25/87/570012587.db2.gz HVPFKICCUDRYQX-FRFSOERESA-N 0 0 490.343 4.880 40 5 JJBBRN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc(Cl)cc2)C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000408682511 570012889 /nfs/dbraw/zinc/01/28/89/570012889.db2.gz JKAAPBOFCHAGPM-QFIPXVFZSA-N 0 0 471.918 4.855 40 5 JJBBRN CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 ZINC000408682492 570012929 /nfs/dbraw/zinc/01/29/29/570012929.db2.gz JHPRRCUINVBKMU-OALUTQOASA-N 0 0 488.327 4.800 40 5 JJBBRN CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000408684259 570013505 /nfs/dbraw/zinc/01/35/05/570013505.db2.gz NDSTXVWPCQMTRZ-RBUKOAKNSA-N 0 0 488.327 4.800 40 5 JJBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21 ZINC000408686829 570014140 /nfs/dbraw/zinc/01/41/40/570014140.db2.gz SHWHBSIBXZATIV-DUXSXAKTSA-N 0 0 488.327 4.656 40 5 JJBBRN Cc1ccc(C(=O)[C@@H](CC(=O)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408689006 570014782 /nfs/dbraw/zinc/01/47/82/570014782.db2.gz 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TZYBUEGJNVIHCG-VOTSOKGWSA-N 0 0 458.252 4.854 40 5 JJBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 ZINC000408548108 570194095 /nfs/dbraw/zinc/19/40/95/570194095.db2.gz PIDOCCYKKLRIIC-UHFFFAOYSA-N 0 0 469.519 4.582 40 5 JJBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccc(C)c(C)c2)cc1 ZINC000409312420 570199359 /nfs/dbraw/zinc/19/93/59/570199359.db2.gz LQVOPGOCWWHOHP-UHFFFAOYSA-N 0 0 467.547 4.662 40 5 JJBBRN Cc1ccc(Cl)cc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccccc1 ZINC000409323769 570201688 /nfs/dbraw/zinc/20/16/88/570201688.db2.gz QHPGGSHGAMBDLM-UHFFFAOYSA-N 0 0 473.938 4.699 40 5 JJBBRN Cc1cccc(C(C)C)c1NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 ZINC000409324569 570201813 /nfs/dbraw/zinc/20/18/13/570201813.db2.gz TWIAABADGARIMA-UHFFFAOYSA-N 0 0 467.547 4.861 40 5 JJBBRN CCc1ccccc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000409325408 570202032 /nfs/dbraw/zinc/20/20/32/570202032.db2.gz YHRFWMKAOMPHJU-UHFFFAOYSA-N 0 0 467.547 4.608 40 5 JJBBRN COc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1OC ZINC000408566351 570203683 /nfs/dbraw/zinc/20/36/83/570203683.db2.gz FKLRAMNLSKMZJZ-SFHVURJKSA-N 0 0 497.346 4.605 40 5 JJBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)c(Br)cc1OC ZINC000408566386 570203701 /nfs/dbraw/zinc/20/37/01/570203701.db2.gz FNOBEKZHXHHJEO-LJQANCHMSA-N 0 0 493.383 4.856 40 5 JJBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)c(Br)cc1OC ZINC000408566384 570203724 /nfs/dbraw/zinc/20/37/24/570203724.db2.gz FNOBEKZHXHHJEO-IBGZPJMESA-N 0 0 493.383 4.856 40 5 JJBBRN CCOc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(OC)cc1 ZINC000408568165 570204159 /nfs/dbraw/zinc/20/41/59/570204159.db2.gz HVALIOAKBYJMMV-IBGZPJMESA-N 0 0 493.383 4.856 40 5 JJBBRN COc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(F)cc1 ZINC000408568080 570204173 /nfs/dbraw/zinc/20/41/73/570204173.db2.gz HOSVJIWZIZWAIN-QGZVFWFLSA-N 0 0 467.320 4.596 40 5 JJBBRN CCN(CC)C(=O)[C@@H]1CCCN(C(=S)Oc2ccc3nc4[nH]c5ccccc5c4nc3c2)C1 ZINC000409330934 570204176 /nfs/dbraw/zinc/20/41/76/570204176.db2.gz ATPQSHZBQYINED-MRXNPFEDSA-N 0 0 461.591 4.508 40 5 JJBBRN COc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1cccc(C)c1 ZINC000408568622 570204280 /nfs/dbraw/zinc/20/42/80/570204280.db2.gz ICXOUHHMBPYPNK-GOSISDBHSA-N 0 0 463.357 4.765 40 5 JJBBRN CN1C[C@H](c2ccc(OCc3cccc(F)c3)c(Cl)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408569362 570204366 /nfs/dbraw/zinc/20/43/66/570204366.db2.gz VYXSHYYRQOVGKY-DVKBMCPXSA-N 0 0 481.911 4.580 40 5 JJBBRN O=C(/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408573382 570205187 /nfs/dbraw/zinc/20/51/87/570205187.db2.gz DFWDNXHTWOPDMS-GTVROCOZSA-N 0 0 453.542 4.993 40 5 JJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)c(C)c1 ZINC000408574845 570205495 /nfs/dbraw/zinc/20/54/95/570205495.db2.gz LVTXROBYWGYVBF-UHFFFAOYSA-N 0 0 459.911 4.918 40 5 JJBBRN COc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1Br ZINC000408575654 570205736 /nfs/dbraw/zinc/20/57/36/570205736.db2.gz WSTZRTBQUBKPOH-SFHVURJKSA-N 0 0 463.357 4.765 40 5 JJBBRN CCCCCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 ZINC000003195869 194237502 /nfs/dbraw/zinc/23/75/02/194237502.db2.gz UFVYDTNALKNCBO-UHFFFAOYSA-N 0 0 486.480 4.973 40 5 JJBBRN O=C(NC(=S)Nc1c(F)cc(F)cc1Br)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000008833007 194487421 /nfs/dbraw/zinc/48/74/21/194487421.db2.gz KCKQVKIZPMTNCP-UHFFFAOYSA-N 0 0 499.337 4.753 40 5 JJBBRN O=C(Nc1cccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1)c1cccs1 ZINC000008833177 194487863 /nfs/dbraw/zinc/48/78/63/194487863.db2.gz DZEUBQVPQSKODU-UHFFFAOYSA-N 0 0 495.586 4.636 40 5 JJBBRN O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000020610376 195183653 /nfs/dbraw/zinc/18/36/53/195183653.db2.gz OBZAZVYRLODEJY-UHFFFAOYSA-N 0 0 460.469 4.710 40 5 JJBBRN O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000020611608 195185518 /nfs/dbraw/zinc/18/55/18/195185518.db2.gz FDIGAODXLNRVTM-UHFFFAOYSA-N 0 0 472.295 4.706 40 5 JJBBRN O=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)ccc21 ZINC000020766532 195222064 /nfs/dbraw/zinc/22/20/64/195222064.db2.gz NXUSBTQJXHKXGB-UHFFFAOYSA-N 0 0 471.922 4.642 40 5 JJBBRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2Cl)CC1 ZINC000021123975 195279888 /nfs/dbraw/zinc/27/98/88/195279888.db2.gz ZFNRBCMMJAGWPS-UHFFFAOYSA-N 0 0 479.364 4.849 40 5 JJBBRN CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2[C@H]2OCCCN2Cc2ccccc2)C1 ZINC000059489934 195407373 /nfs/dbraw/zinc/40/73/73/195407373.db2.gz GRIMKADDUJTWRC-AJTFRIOCSA-N 0 0 480.609 4.601 40 5 JJBBRN CC(=O)Nc1ccc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)c(N2CCOCC2)c1 ZINC000022636661 519726552 /nfs/dbraw/zinc/72/65/52/519726552.db2.gz RKKBCJFPKSXLOM-UHFFFAOYSA-N 0 0 474.926 4.510 40 5 JJBBRN COC(=O)c1c(C)c(C(=O)Nc2ccccc2OC)sc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000013401255 521751224 /nfs/dbraw/zinc/75/12/24/521751224.db2.gz FONQHKQVALKATH-UHFFFAOYSA-N 0 0 483.502 4.573 40 5 JJBBRN CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006878543 523195398 /nfs/dbraw/zinc/19/53/98/523195398.db2.gz UWLQQNDIWIQCCE-CYBMUJFWSA-N 0 0 460.947 4.591 40 5 JJBBRN CCn1c(SCC(=O)c2cc([N+](=O)[O-])ccc2Br)nnc1-c1cccc(C)c1 ZINC000019927279 523231973 /nfs/dbraw/zinc/23/19/73/523231973.db2.gz PCVKTKRYYQBLIU-UHFFFAOYSA-N 0 0 461.341 4.919 40 5 JJBBRN COc1ccc(NC(=O)COc2ccc3c(c2)c2ccnc4c2n3c(=O)c2ccccc24)cc1OC ZINC000008792149 524504690 /nfs/dbraw/zinc/50/46/90/524504690.db2.gz ZEDMJBNFOGCVFM-UHFFFAOYSA-N 0 0 479.492 4.627 40 5 biogenic JJBBRN COc1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 ZINC000006136668 524513469 /nfs/dbraw/zinc/51/34/69/524513469.db2.gz AGYKBNDQKLGELV-UHFFFAOYSA-N 0 0 461.503 4.582 40 5 JJBBRN Cc1cc(C)nc(SCc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2Cc2ccco2)n1 ZINC000008686545 524600970 /nfs/dbraw/zinc/60/09/70/524600970.db2.gz OCGLFPLWTSKNRO-UHFFFAOYSA-N 0 0 468.564 4.819 40 5 JJBBRN COc1ccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1-c1ccc(CO)o1 ZINC000020142610 524635724 /nfs/dbraw/zinc/63/57/24/524635724.db2.gz KNGCYJFIKILZLZ-UHFFFAOYSA-N 0 0 451.479 4.598 40 5 JJBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1 ZINC000006194296 525566622 /nfs/dbraw/zinc/56/66/22/525566622.db2.gz WLXAWAVZGHNGBF-UHFFFAOYSA-N 0 0 461.503 4.587 40 5 JJBBRN O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000014923275 526701774 /nfs/dbraw/zinc/70/17/74/526701774.db2.gz PFLDACDBUQACJQ-UHFFFAOYSA-N 0 0 480.329 4.736 40 5 JJBBRN O=C(c1ccccc1)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000020519592 526797095 /nfs/dbraw/zinc/79/70/95/526797095.db2.gz RLNBELBECOHQEU-OHTANWTRSA-N 0 0 489.528 4.553 40 5 JJBBRN O=C(C1=C2C(O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12)c1ccccc1 ZINC000035999870 526797555 /nfs/dbraw/zinc/79/75/55/526797555.db2.gz PKPFHGIUQUSLQN-OLKYXYMISA-N 0 0 499.910 4.647 40 5 JJBBRN Cc1nc2ccccc2c2c(NC(=O)c3ccc(S(=O)(=O)NC(C)C)cc3)c3ccccc3n21 ZINC000014776243 527159153 /nfs/dbraw/zinc/15/91/53/527159153.db2.gz NPXAZNUJHTZXTF-UHFFFAOYSA-N 0 0 472.570 4.888 40 5 JJBBRN O=c1c2ccc3c(=O)n(CC[C@H]4C=CCCC4)c(=O)c4ccc(c(=O)n1CC[C@H]1C=CCCC1)c2c34 ZINC000020494357 527462781 /nfs/dbraw/zinc/46/27/81/527462781.db2.gz XIDBIBBOJQPMLX-PMACEKPBSA-N 0 0 482.580 4.558 40 5 JJBBRN O=C(CSc1nnc(CNc2ccc(F)cc2)n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000000786796 553781262 /nfs/dbraw/zinc/78/12/62/553781262.db2.gz WSEQGJKPWYLVSG-UHFFFAOYSA-N 0 0 478.509 4.658 40 5 JJBBRN CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000000797563 553782827 /nfs/dbraw/zinc/78/28/27/553782827.db2.gz RTJKTIGHDIHHAC-AWEZNQCLSA-N 0 0 474.974 4.899 40 5 JJBBRN CCn1c(CNc2cccc(C(F)(F)F)c2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000006135601 554507866 /nfs/dbraw/zinc/50/78/66/554507866.db2.gz YVWIQMGKFUAWMD-UHFFFAOYSA-N 0 0 494.499 4.876 40 5 JJBBRN C[C@H](Sc1nnc(-c2ccc(O)cc2)n1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006177170 554514670 /nfs/dbraw/zinc/51/46/70/554514670.db2.gz YMWDJERZMSZHHD-HNNXBMFYSA-N 0 0 461.503 4.667 40 5 JJBBRN CCn1c(CNc2cccc(Cl)c2)nnc1S[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006878544 554560214 /nfs/dbraw/zinc/56/02/14/554560214.db2.gz PBMNRRFCLYKKLN-CYBMUJFWSA-N 0 0 460.947 4.591 40 5 JJBBRN CC(=O)c1cccc(NC(=O)COc2ccc3c(c2)c2ccnc4c2n3c(=O)c2ccccc24)c1 ZINC000008792408 554686012 /nfs/dbraw/zinc/68/60/12/554686012.db2.gz PFPJUCSRWKCSRQ-UHFFFAOYSA-N 0 0 461.477 4.812 40 5 biogenic JJBBRN COc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000008831051 554720937 /nfs/dbraw/zinc/72/09/37/554720937.db2.gz OXFDDYYKYJZKSR-UHFFFAOYSA-N 0 0 462.487 4.847 40 5 JJBBRN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000008832590 554727435 /nfs/dbraw/zinc/72/74/35/554727435.db2.gz PFOSHIVNHXOQTG-UHFFFAOYSA-N 0 0 470.938 4.524 40 5 JJBBRN O=C(NC(=S)Nc1ccc(I)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008832870 554728611 /nfs/dbraw/zinc/72/86/11/554728611.db2.gz QVRGGKPJBQYTGN-UHFFFAOYSA-N 0 0 493.282 4.586 40 5 JJBBRN CC(C)(C)c1cc(Cl)c(O)c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000008833166 554730009 /nfs/dbraw/zinc/73/00/09/554730009.db2.gz ZKFOZQHUCZFWIW-UHFFFAOYSA-N 0 0 476.986 4.978 40 5 JJBBRN COc1c(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2C)cc2ccccc2c1Br ZINC000008833229 554730424 /nfs/dbraw/zinc/73/04/24/554730424.db2.gz MAANZXXUZXUAPT-UHFFFAOYSA-N 0 0 474.336 4.954 40 5 JJBBRN COc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1[N+](=O)[O-] ZINC000008833365 554731006 /nfs/dbraw/zinc/73/10/06/554731006.db2.gz CVVPWVOCABREFN-UHFFFAOYSA-N 0 0 481.921 4.927 40 5 JJBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1 ZINC000008902017 554795837 /nfs/dbraw/zinc/79/58/37/554795837.db2.gz JHTHTXCJDWIHGU-RMKNXTFCSA-N 0 0 496.976 4.924 40 5 JJBBRN Cc1ccc2nc(NC(=O)[C@@H](Cc3ccc([N+](=O)[O-])cc3)NC(=O)OCc3ccccc3)sc2c1 ZINC000008989881 554851360 /nfs/dbraw/zinc/85/13/60/554851360.db2.gz MLKDHRLAIOOMKW-OAQYLSRUSA-N 0 0 490.541 4.989 40 5 JJBBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@H]2[N+](=O)[O-])cc1OC ZINC000009008907 554862955 /nfs/dbraw/zinc/86/29/55/554862955.db2.gz KMDKBKFJBUMUOR-WSZJRCBQSA-N 0 0 456.498 4.600 40 5 JJBBRN COc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000009062363 554879746 /nfs/dbraw/zinc/87/97/46/554879746.db2.gz HEIXILTWOBIZQM-UHFFFAOYSA-N 0 0 493.863 4.811 40 5 JJBBRN COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000009062484 554880248 /nfs/dbraw/zinc/88/02/48/554880248.db2.gz XGQINJQDPMVRDH-UHFFFAOYSA-N 0 0 475.486 4.627 40 5 JJBBRN COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1cccc2c(Br)cccc12 ZINC000009064586 554882701 /nfs/dbraw/zinc/88/27/01/554882701.db2.gz HWUDOMZPRNTJLI-UHFFFAOYSA-N 0 0 460.309 4.646 40 5 JJBBRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3O)oc2c1 ZINC000009064857 554884049 /nfs/dbraw/zinc/88/40/49/554884049.db2.gz UXPWHEOSYZRKPW-UHFFFAOYSA-N 0 0 462.487 4.852 40 5 JJBBRN CN(C)c1ccc([C@@H]2[C@@H]([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000009312904 555089120 /nfs/dbraw/zinc/08/91/20/555089120.db2.gz AXVIKEQTAYLUKG-QYOOZWMWSA-N 0 0 484.512 4.557 40 5 JJBBRN CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C)c3ccccc32)c([N+](=O)[O-])c1 ZINC000013301412 555372793 /nfs/dbraw/zinc/37/27/93/555372793.db2.gz WBPUKBFHWJFTNO-ZCOIRKDISA-N 0 0 454.482 4.564 40 5 JJBBRN COC(=O)c1c(C)c(C(=O)NC2CCCCC2)sc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000013424279 555398392 /nfs/dbraw/zinc/39/83/92/555398392.db2.gz UHLLXHSPLTVGMW-UHFFFAOYSA-N 0 0 479.942 4.720 40 5 JJBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2cc(C)ccc2C)cc1 ZINC000019856248 555514526 /nfs/dbraw/zinc/51/45/26/555514526.db2.gz ARQZXKDCMXHKHL-UHFFFAOYSA-N 0 0 467.547 4.662 40 5 JJBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cc(C)ccc2C)cc1 ZINC000019856328 555515109 /nfs/dbraw/zinc/51/51/09/555515109.db2.gz XZVAXMMNXSWYFG-UHFFFAOYSA-N 0 0 467.547 4.662 40 5 JJBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000019856567 555516297 /nfs/dbraw/zinc/51/62/97/555516297.db2.gz WETBIXYIMNCZOA-UHFFFAOYSA-N 0 0 480.329 4.736 40 5 JJBBRN Cc1c(NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000019856791 555517453 /nfs/dbraw/zinc/51/74/53/555517453.db2.gz YIIFXVWHQVAZLC-UHFFFAOYSA-N 0 0 473.938 4.775 40 5 JJBBRN Cc1cc(C)c(NC(=O)CSc2nnc(COc3ccc(Cl)cc3C)o2)c([N+](=O)[O-])c1 ZINC000019929289 555546160 /nfs/dbraw/zinc/54/61/60/555546160.db2.gz CBNDGSQFFUULQF-UHFFFAOYSA-N 0 0 462.915 4.866 40 5 JJBBRN O=C(Cn1c(=O)c2c(nc1-c1ccccc1)sc1c2CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000019996709 555577077 /nfs/dbraw/zinc/57/70/77/555577077.db2.gz ZZWIVZCGCYFFOW-UHFFFAOYSA-N 0 0 460.515 4.551 40 5 JJBBRN CC(C)(C)c1ccc(C(=O)NCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000010000252 555589810 /nfs/dbraw/zinc/58/98/10/555589810.db2.gz FWRXIKIVXLHDLN-VWLOTQADSA-N 0 0 474.513 4.790 40 5 JJBBRN CCOc1ccc(C(=O)Nc2nc3c(cc([N+](=O)[O-])cc3OC)s2)cc1Br ZINC000010010567 555593009 /nfs/dbraw/zinc/59/30/09/555593009.db2.gz XDAGLLPIECMDFY-UHFFFAOYSA-N 0 0 452.286 4.627 40 5 JJBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000020043539 555615008 /nfs/dbraw/zinc/61/50/08/555615008.db2.gz YJEUOKBQUITTPY-UHFFFAOYSA-N 0 0 475.910 4.618 40 5 JJBBRN O=C1[C@@H]2[C@H](c3ccccc3)N(c3cccc([N+](=O)[O-])c3)O[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000013776923 555616784 /nfs/dbraw/zinc/61/67/84/555616784.db2.gz PNRAUUFHWKLZIG-HKBOAZHASA-N 0 0 484.295 4.953 40 5 JJBBRN CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4cc([N+](=O)[O-])ccc4Cl)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000013804678 555623038 /nfs/dbraw/zinc/62/30/38/555623038.db2.gz PTRLPRDADMWKPV-VJBWXMMDSA-N 0 0 493.903 4.698 40 5 JJBBRN C[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000010111832 555623208 /nfs/dbraw/zinc/62/32/08/555623208.db2.gz NKMZFOPFYRFBSH-LJQANCHMSA-N 0 0 495.601 4.965 40 5 JJBBRN C[C@@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000010111834 555623548 /nfs/dbraw/zinc/62/35/48/555623548.db2.gz GLANWWBUQAZCRJ-LJQANCHMSA-N 0 0 495.601 4.965 40 5 JJBBRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013811431 555628117 /nfs/dbraw/zinc/62/81/17/555628117.db2.gz FDQDELDTXWZPNF-ACRUOGEOSA-N 0 0 484.295 4.953 40 5 JJBBRN CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)cc1 ZINC000013842460 555631794 /nfs/dbraw/zinc/63/17/94/555631794.db2.gz FCPZYWKNNCRZEX-UHFFFAOYSA-N 0 0 475.958 4.810 40 5 JJBBRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2CC)cc1 ZINC000013871572 555637676 /nfs/dbraw/zinc/63/76/76/555637676.db2.gz BNWFVFXQYABYEB-HNNXBMFYSA-N 0 0 455.540 4.639 40 5 JJBBRN O=C1OC(c2cc(I)ccc2Cl)=N/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000013930070 555648241 /nfs/dbraw/zinc/64/82/41/555648241.db2.gz IPIIZTGGTVIMAP-ACAGNQJTSA-N 0 0 489.052 4.851 40 5 JJBBRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000020142656 555663610 /nfs/dbraw/zinc/66/36/10/555663610.db2.gz QGXIAWYJYSVYBU-UHFFFAOYSA-N 0 0 465.506 4.844 40 5 JJBBRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000020142852 555663894 /nfs/dbraw/zinc/66/38/94/555663894.db2.gz GDNZLMZTUSKIMZ-UHFFFAOYSA-N 0 0 465.506 4.844 40 5 JJBBRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2C)c(C)c1 ZINC000014154004 555710692 /nfs/dbraw/zinc/71/06/92/555710692.db2.gz RHYCJOBILHWQQP-UHFFFAOYSA-N 0 0 453.520 4.882 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000020244223 555740420 /nfs/dbraw/zinc/74/04/20/555740420.db2.gz HPIFTYQYGYICDS-VWLOTQADSA-N 0 0 461.543 4.972 40 5 JJBBRN CC(C)c1ccc(C=CC(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 ZINC000014269090 555757664 /nfs/dbraw/zinc/75/76/64/555757664.db2.gz KWPHEFZTJVXKGI-DHZHZOJOSA-N 0 0 472.998 4.608 40 5 JJBBRN CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000014269554 555759417 /nfs/dbraw/zinc/75/94/17/555759417.db2.gz QSUWQUHLACCXQH-OAHLLOKOSA-N 0 0 456.568 4.931 40 5 JJBBRN O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000014270418 555762666 /nfs/dbraw/zinc/76/26/66/555762666.db2.gz MYAYNVOOXHDWFN-UHFFFAOYSA-N 0 0 451.291 4.793 40 5 JJBBRN O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccc(-c2ccccc2)cc1 ZINC000014273779 555774548 /nfs/dbraw/zinc/77/45/48/555774548.db2.gz PZKJHDSZUSQPOA-UHFFFAOYSA-N 0 0 480.977 4.752 40 5 JJBBRN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014278015 555787395 /nfs/dbraw/zinc/78/73/95/555787395.db2.gz QAOTZBMLQCKPHH-UHFFFAOYSA-N 0 0 474.473 4.501 40 5 JJBBRN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000020410818 555787798 /nfs/dbraw/zinc/78/77/98/555787798.db2.gz OBOSYOQSMMFLOO-UHFFFAOYSA-N 0 0 486.322 4.608 40 5 JJBBRN COc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)cc1[N+](=O)[O-] ZINC000014291043 555791949 /nfs/dbraw/zinc/79/19/49/555791949.db2.gz MJUDEEAQVICGRS-UHFFFAOYSA-N 0 0 480.952 4.831 40 5 JJBBRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000014404840 555807402 /nfs/dbraw/zinc/80/74/02/555807402.db2.gz NNMCQEBJUZUERX-UHFFFAOYSA-N 0 0 455.474 4.902 40 5 JJBBRN CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)c1C ZINC000014405390 555807961 /nfs/dbraw/zinc/80/79/61/555807961.db2.gz GOWCATXLYKMPRS-UHFFFAOYSA-N 0 0 480.481 4.621 40 5 JJBBRN CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(O)c(OC)c1[N+](=O)[O-])Nc1ccccc1-2 ZINC000015015526 555856133 /nfs/dbraw/zinc/85/61/33/555856133.db2.gz CWTNKMDJCNSKQG-FQEVSTJZSA-N 0 0 469.523 4.946 40 5 JJBBRN O=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000022530223 555931544 /nfs/dbraw/zinc/93/15/44/555931544.db2.gz MFGHRONFHKTNLU-UHFFFAOYSA-N 0 0 450.520 4.571 40 5 JJBBRN CC1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2Cl)CC1 ZINC000022566149 555936199 /nfs/dbraw/zinc/93/61/99/555936199.db2.gz LDCYIPVBXYLXBT-UHFFFAOYSA-N 0 0 458.946 4.573 40 5 JJBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(OCc2ccccc2)cc1 ZINC000022573675 555938052 /nfs/dbraw/zinc/93/80/52/555938052.db2.gz MGYBENWMJSQVSM-UHFFFAOYSA-N 0 0 464.528 4.910 40 5 JJBBRN O=C(C1=C2C(O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12)c1ccc(Cl)cc1 ZINC000016039437 556121154 /nfs/dbraw/zinc/12/11/54/556121154.db2.gz RCLIYRAWEGKYHJ-CJRSTVEYSA-N 0 0 499.910 4.647 40 5 JJBBRN O=C(c1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000016450620 556139803 /nfs/dbraw/zinc/13/98/03/556139803.db2.gz XIIDOTWCVBNORA-UHFFFAOYSA-N 0 0 490.394 4.744 40 5 JJBBRN O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1cccc2ccccc21 ZINC000016526243 556142425 /nfs/dbraw/zinc/14/24/25/556142425.db2.gz NADIXAXEWZXJAG-UHFFFAOYSA-N 0 0 488.491 4.604 40 5 JJBBRN CC[C@@H](C)c1ccc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000016610522 556146065 /nfs/dbraw/zinc/14/60/65/556146065.db2.gz AJCIRMQUXVFUJE-MRXNPFEDSA-N 0 0 465.472 4.855 40 5 JJBBRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3o2)cc1 ZINC000016692023 556153423 /nfs/dbraw/zinc/15/34/23/556153423.db2.gz LEZONUANNIOZPL-UHFFFAOYSA-N 0 0 462.487 4.929 40 5 JJBBRN Cc1nc2ccccc2c2c(NC(=O)c3ccc(=O)n(CCOc4ccccc4)n3)c3ccccc3n21 ZINC000025316548 556208247 /nfs/dbraw/zinc/20/82/47/556208247.db2.gz SMCYBVRANDPIDJ-UHFFFAOYSA-N 0 0 489.535 4.837 40 5 JJBBRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000032115572 556423056 /nfs/dbraw/zinc/42/30/56/556423056.db2.gz OZMPTTNKBNFJRZ-UHFFFAOYSA-N 0 0 464.931 4.512 40 5 JJBBRN O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000032126976 556431378 /nfs/dbraw/zinc/43/13/78/556431378.db2.gz MIFSNYDKQSISHP-UHFFFAOYSA-N 0 0 450.476 4.553 40 5 JJBBRN COc1ccc(C(=O)NC(=S)Nc2nc3c(ccc(Cl)c3Cl)s2)cc1[N+](=O)[O-] ZINC000032127309 556431788 /nfs/dbraw/zinc/43/17/88/556431788.db2.gz UXIBITMFQWBYLZ-UHFFFAOYSA-N 0 0 457.320 4.647 40 5 JJBBRN Cc1ccc(-c2nc(NC(=O)COc3cccc([N+](=O)[O-])c3)sc2NC(=O)c2ccco2)cc1 ZINC000032624615 556454572 /nfs/dbraw/zinc/45/45/72/556454572.db2.gz QHHAERTXGWWZBX-UHFFFAOYSA-N 0 0 478.486 4.890 40 5 JJBBRN N=c1nc(Sc2ccc([C@H](Nc3ccccn3)n3nnc4ccccc43)cc2[N+](=O)[O-])ss1 ZINC000059488709 569605659 /nfs/dbraw/zinc/60/56/59/569605659.db2.gz BHTSEBGOUIPLBW-GOSISDBHSA-N 0 0 494.587 4.542 40 5 JJBBRN C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C ZINC000033429643 569626205 /nfs/dbraw/zinc/62/62/05/569626205.db2.gz VRJCESVFWAIGGX-NSHDSACASA-N 0 0 466.350 4.813 40 5 JJBBRN CCn1c(=O)c2c(nc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)sc1c2CCCC1 ZINC000033516374 569627266 /nfs/dbraw/zinc/62/72/66/569627266.db2.gz VLGGZMJWHBNOJF-UHFFFAOYSA-N 0 0 478.983 4.649 40 5 JJBBRN CCOc1ccc2nc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2c1 ZINC000033626176 569629074 /nfs/dbraw/zinc/62/90/74/569629074.db2.gz DRKAXNGLZDTJKP-UHFFFAOYSA-N 0 0 468.516 4.990 40 5 JJBBRN CC(C)(C)c1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1 ZINC000033649879 569629555 /nfs/dbraw/zinc/62/95/55/569629555.db2.gz ONXJFUJULFJSEH-UHFFFAOYSA-N 0 0 480.609 4.610 40 5 JJBBRN Cc1ccc(CN(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000033659569 569630013 /nfs/dbraw/zinc/63/00/13/569630013.db2.gz IKCZCWMBATUFNF-UHFFFAOYSA-N 0 0 495.601 4.967 40 5 JJBBRN CCCCOc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)c1 ZINC000033758361 569633761 /nfs/dbraw/zinc/63/37/61/569633761.db2.gz KQJHSFLYLUJMNV-UHFFFAOYSA-N 0 0 466.582 4.726 40 5 JJBBRN O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000034696698 569647575 /nfs/dbraw/zinc/64/75/75/569647575.db2.gz VLZXDRVVFNYFQO-UHFFFAOYSA-N 0 0 450.520 4.972 40 5 JJBBRN O=C(c1ccc(F)cc1)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000035851683 569716551 /nfs/dbraw/zinc/71/65/51/569716551.db2.gz KMUSJELYDWZHEY-ICLZECGLSA-N 0 0 489.528 4.553 40 5 JJBBRN O=[N+]([O-])c1ccc(Oc2nc(Oc3ccc([N+](=O)[O-])cc3)nc(Oc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000100544383 569764135 /nfs/dbraw/zinc/76/41/35/569764135.db2.gz KEUGHHXXDFOAND-UHFFFAOYSA-N 0 0 492.360 4.973 40 5 JJBBRN CCc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101175928 569786073 /nfs/dbraw/zinc/78/60/73/569786073.db2.gz OFCILHBPDUWKEH-VABKMULXSA-N 0 0 477.904 4.862 40 5 JJBBRN CN(C)c1ccc(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)cc2)cc1 ZINC000039750770 569811355 /nfs/dbraw/zinc/81/13/55/569811355.db2.gz MQCCPILKHUAFSV-UHFFFAOYSA-N 0 0 488.529 4.684 40 5 JJBBRN COc1ccc(-c2nnc(NC(=O)c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)s2)cc1 ZINC000039757402 569811447 /nfs/dbraw/zinc/81/14/47/569811447.db2.gz NSDGUIIAGCSTRK-UHFFFAOYSA-N 0 0 475.486 4.627 40 5 JJBBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1c1ccccc1 ZINC000102730083 569818157 /nfs/dbraw/zinc/81/81/57/569818157.db2.gz CJNZCBZZPHBHJA-SDHSZQHLSA-N 0 0 481.464 4.906 40 5 JJBBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102733482 569818509 /nfs/dbraw/zinc/81/85/09/569818509.db2.gz BNRPMTUMQDZPAK-NJYVYQBISA-N 0 0 484.295 4.953 40 5 JJBBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)C(=O)N1c1c(Cl)cccc1Cl ZINC000102734699 569818754 /nfs/dbraw/zinc/81/87/54/569818754.db2.gz SZNGISRRWCCVBE-SBHAEUEKSA-N 0 0 484.295 4.953 40 5 JJBBRN O=C(c1cccs1)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000102769227 569823401 /nfs/dbraw/zinc/82/34/01/569823401.db2.gz JBMAJIRBABAZQR-LOCCHRAXSA-N 0 0 495.557 4.614 40 5 JJBBRN CCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1Br ZINC000106722302 569855105 /nfs/dbraw/zinc/85/51/05/569855105.db2.gz HCYOCNYCUDIBGW-YVLHZVERSA-N 0 0 463.309 4.993 40 5 JJBBRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O ZINC000106750443 569855522 /nfs/dbraw/zinc/85/55/22/569855522.db2.gz ONEWIHGLJOSJLM-YVLHZVERSA-N 0 0 478.935 4.999 40 5 JJBBRN O=[N+]([O-])/C=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000107743146 569857234 /nfs/dbraw/zinc/85/72/34/569857234.db2.gz RIXMXIRYZMQABU-SNAWJCMRSA-N 0 0 458.062 4.946 40 5 JJBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000214466682 569876709 /nfs/dbraw/zinc/87/67/09/569876709.db2.gz MRDCBCHLXHBKGX-UDWIEESQSA-N 0 0 463.471 4.838 40 5 JJBBRN CCOc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O ZINC000214998923 569877147 /nfs/dbraw/zinc/87/71/47/569877147.db2.gz LDHSIHPURFYNAM-LICLKQGHSA-N 0 0 463.309 4.993 40 5 JJBBRN Cc1ccc(C)c(N(Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)S(C)(=O)=O)c1 ZINC000222717436 569889458 /nfs/dbraw/zinc/88/94/58/569889458.db2.gz ZMKGKCQENAWJOD-UHFFFAOYSA-N 0 0 467.547 4.739 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 ZINC000222961487 569895568 /nfs/dbraw/zinc/89/55/68/569895568.db2.gz ZGBDGVYIUAAHMG-UHFFFAOYSA-N 0 0 467.547 4.739 40 5 JJBBRN CC[C@@H](NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223120934 569900060 /nfs/dbraw/zinc/90/00/60/569900060.db2.gz QKQVUPYWSIHVFT-HSZRJFAPSA-N 0 0 487.622 4.596 40 5 JJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223320536 569907417 /nfs/dbraw/zinc/90/74/17/569907417.db2.gz JRAOUFLSBGAJNI-DEOSSOPVSA-N 0 0 479.964 4.567 40 5 JJBBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000223434044 569911293 /nfs/dbraw/zinc/91/12/93/569911293.db2.gz NHFIZIPEZGALEE-RPBOFIJWSA-N 0 0 485.569 4.962 40 5 JJBBRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223657527 569919225 /nfs/dbraw/zinc/91/92/25/569919225.db2.gz LLYMFCZEWJFRFA-QHCPKHFHSA-N 0 0 471.623 4.860 40 5 JJBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000223773036 569922832 /nfs/dbraw/zinc/92/28/32/569922832.db2.gz UMOBUZCVXAJGQZ-RPWUZVMVSA-N 0 0 471.542 4.966 40 5 JJBBRN Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223794098 569923558 /nfs/dbraw/zinc/92/35/58/569923558.db2.gz GCIAYDPCWWRGRN-LJQANCHMSA-N 0 0 469.607 4.613 40 5 JJBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223809587 569923994 /nfs/dbraw/zinc/92/39/94/569923994.db2.gz QAHARYZRPXVNFH-JOCHJYFZSA-N 0 0 475.586 4.691 40 5 JJBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223809600 569924000 /nfs/dbraw/zinc/92/40/00/569924000.db2.gz QAHARYZRPXVNFH-QFIPXVFZSA-N 0 0 475.586 4.691 40 5 JJBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1 ZINC000223870257 569925714 /nfs/dbraw/zinc/92/57/14/569925714.db2.gz XDQIFGTVSVDHSN-DHIUTWEWSA-N 0 0 457.515 4.663 40 5 JJBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 ZINC000223870554 569925784 /nfs/dbraw/zinc/92/57/84/569925784.db2.gz QOIPXDWESCUUKX-XZOQPEGZSA-N 0 0 457.515 4.663 40 5 JJBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224069342 569932328 /nfs/dbraw/zinc/93/23/28/569932328.db2.gz DCHHMHPZQNOFGE-SANMLTNESA-N 0 0 473.573 4.612 40 5 JJBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224114818 569933643 /nfs/dbraw/zinc/93/36/43/569933643.db2.gz IHRBDOYHSKJXGN-QHCPKHFHSA-N 0 0 469.607 4.694 40 5 JJBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224328196 569940819 /nfs/dbraw/zinc/94/08/19/569940819.db2.gz ADBOOAXPBLUHQN-NRFANRHFSA-N 0 0 457.958 4.657 40 5 JJBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224392938 569943107 /nfs/dbraw/zinc/94/31/07/569943107.db2.gz CVTRDCJKRBVHND-VWLOTQADSA-N 0 0 491.563 4.831 40 5 JJBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224556710 569948280 /nfs/dbraw/zinc/94/82/80/569948280.db2.gz BZGJLGOMKUGJIY-QHCPKHFHSA-N 0 0 471.623 4.716 40 5 JJBBRN CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224605301 569950313 /nfs/dbraw/zinc/95/03/13/569950313.db2.gz CYQFMPBZUAWNIM-XMMPIXPASA-N 0 0 483.634 4.737 40 5 JJBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224741005 569955683 /nfs/dbraw/zinc/95/56/83/569955683.db2.gz LGQAFOCJDOAZHM-QFIPXVFZSA-N 0 0 475.586 4.547 40 5 JJBBRN Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000224796831 569957992 /nfs/dbraw/zinc/95/79/92/569957992.db2.gz HPDLYYRZULSHCU-AREMUKBSSA-N 0 0 473.573 4.610 40 5 JJBBRN CCOC(=O)c1c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000408600069 569968333 /nfs/dbraw/zinc/96/83/33/569968333.db2.gz STNMTPIZHFFJOS-HNNXBMFYSA-N 0 0 488.562 4.780 40 5 JJBBRN CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225138841 569977463 /nfs/dbraw/zinc/97/74/63/569977463.db2.gz GGIKYDXGQCFZPV-KRWDZBQOSA-N 0 0 478.014 4.815 40 5 JJBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225190682 569981425 /nfs/dbraw/zinc/98/14/25/569981425.db2.gz SDXNUGALDRETHE-JOCHJYFZSA-N 0 0 455.530 4.533 40 5 JJBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225263801 569986884 /nfs/dbraw/zinc/98/68/84/569986884.db2.gz AZLYOBUBHHFQFU-AREMUKBSSA-N 0 0 473.573 4.694 40 5 JJBBRN Cc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)c(Br)cc3C)CC2=O)cc1[N+](=O)[O-] ZINC000408639401 569988378 /nfs/dbraw/zinc/98/83/78/569988378.db2.gz FZVNFBWUICDABB-GFCCVEGCSA-N 0 0 466.719 4.619 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)CC1=O ZINC000408640268 569988822 /nfs/dbraw/zinc/98/88/22/569988822.db2.gz IHMVMHCQQZSZAQ-KRWDZBQOSA-N 0 0 461.474 4.696 40 5 JJBBRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)c(C)c1 ZINC000408642795 569989988 /nfs/dbraw/zinc/98/99/88/569989988.db2.gz FFNXULSQIGDFSV-FQEVSTJZSA-N 0 0 488.496 4.783 40 5 JJBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)c1 ZINC000408648274 569992805 /nfs/dbraw/zinc/99/28/05/569992805.db2.gz WUHCFDMLLMOWHY-UHFFFAOYSA-N 0 0 471.469 4.923 40 5 JJBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408649482 569993227 /nfs/dbraw/zinc/99/32/27/569993227.db2.gz DPTHZRGXNSZFHU-LMHXZZLNSA-N 0 0 465.292 4.692 40 5 JJBBRN CC[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)C(=O)c1ccccc1 ZINC000408652947 569995255 /nfs/dbraw/zinc/99/52/55/569995255.db2.gz PHBBOYUAYBNNQN-XUZZJYLKSA-N 0 0 472.497 4.819 40 5 JJBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225463567 569997919 /nfs/dbraw/zinc/99/79/19/569997919.db2.gz YYGDYYDRTYPXPX-AREMUKBSSA-N 0 0 491.563 4.833 40 5 JJBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225490918 569999491 /nfs/dbraw/zinc/99/94/91/569999491.db2.gz RNOLRRURXLXHGC-SANMLTNESA-N 0 0 491.563 4.833 40 5 JJBBRN O=C(CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1 ZINC000225519622 570002012 /nfs/dbraw/zinc/00/20/12/570002012.db2.gz VEGBZWJTCVBRSJ-DQEYMECFSA-N 0 0 499.552 4.861 40 5 JJBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225573067 570006654 /nfs/dbraw/zinc/00/66/54/570006654.db2.gz DINVYCOXIWUKHI-RUZDIDTESA-N 0 0 491.613 4.523 40 5 JJBBRN COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000408669997 570006728 /nfs/dbraw/zinc/00/67/28/570006728.db2.gz HVKQVVCBIOUUQV-UHFFFAOYSA-N 0 0 492.484 4.931 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)CC1=O ZINC000408671114 570007495 /nfs/dbraw/zinc/00/74/95/570007495.db2.gz SVZYOISXJSGTTJ-GOSISDBHSA-N 0 0 474.513 4.888 40 5 JJBBRN C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 ZINC000408684456 570013543 /nfs/dbraw/zinc/01/35/43/570013543.db2.gz NJKUOSYMBRZZAF-ZNOIYHFQSA-N 0 0 490.343 4.880 40 5 JJBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 ZINC000408686603 570014191 /nfs/dbraw/zinc/01/41/91/570014191.db2.gz SDJZJUOIMPZGNJ-SKDZVZGDSA-N 0 0 490.343 4.880 40 5 JJBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 ZINC000408689520 570014898 /nfs/dbraw/zinc/01/48/98/570014898.db2.gz YKXPUWLBVVWSKN-ASUYLVSUSA-N 0 0 488.327 4.656 40 5 JJBBRN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc(Cl)cc2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408690156 570015077 /nfs/dbraw/zinc/01/50/77/570015077.db2.gz ZURNMGGTEOAPGF-QFIPXVFZSA-N 0 0 471.918 4.855 40 5 JJBBRN CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000408728648 570028534 /nfs/dbraw/zinc/02/85/34/570028534.db2.gz QPXNMHLVNCCPDO-PJYWLYPCSA-N 0 0 458.901 4.993 40 5 JJBBRN CCOC(=O)C1=C(C)N(C)C(SC)=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408731102 570029176 /nfs/dbraw/zinc/02/91/76/570029176.db2.gz KOEMEYIOUXHHKE-JOCHJYFZSA-N 0 0 485.562 4.725 40 5 JJBBRN Cc1cc(F)ccc1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 ZINC000408736753 570030507 /nfs/dbraw/zinc/03/05/07/570030507.db2.gz GXRRNJXZDFKNGQ-JOCHJYFZSA-N 0 0 451.454 4.519 40 5 JJBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Br)c(OC)c([N+](=O)[O-])c3)S2)cc1 ZINC000408770704 570038665 /nfs/dbraw/zinc/03/86/65/570038665.db2.gz AZABODVUAQOPPH-LZOLKVDOSA-N 0 0 464.341 4.528 40 5 JJBBRN COc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408817716 570051017 /nfs/dbraw/zinc/05/10/17/570051017.db2.gz NURMAHKICMDWEF-IUXPMGMMSA-N 0 0 479.308 4.611 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21 ZINC000408919075 570076517 /nfs/dbraw/zinc/07/65/17/570076517.db2.gz SJFHQIXWCNHKHI-NFJKTXFASA-N 0 0 489.325 4.806 40 5 JJBBRN Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cccc1[N+](=O)[O-] ZINC000408923227 570077809 /nfs/dbraw/zinc/07/78/09/570077809.db2.gz GJUJGDIIIOZVNY-UHFFFAOYSA-N 0 0 490.335 4.719 40 5 JJBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000408923176 570077853 /nfs/dbraw/zinc/07/78/53/570077853.db2.gz AMPQUFIRZVDRHW-UHFFFAOYSA-N 0 0 491.978 4.921 40 5 JJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)cc2)c(C)c1 ZINC000408927671 570078878 /nfs/dbraw/zinc/07/88/78/570078878.db2.gz ZARPLIRABVUSTE-UHFFFAOYSA-N 0 0 485.587 4.884 40 5 JJBBRN O=C1N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1ccc(Br)cc1 ZINC000408929473 570079424 /nfs/dbraw/zinc/07/94/24/570079424.db2.gz JYVKDMOWSRWNDY-WQRHYEAKSA-N 0 0 468.263 4.710 40 5 JJBBRN O=C1N/C(=C\c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000408933009 570080698 /nfs/dbraw/zinc/08/06/98/570080698.db2.gz GOWAXFQUBLHBAE-NDENLUEZSA-N 0 0 463.877 4.920 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)o1 ZINC000408941543 570082807 /nfs/dbraw/zinc/08/28/07/570082807.db2.gz WBGKXWOTIRCOJY-JAIQZWGSSA-N 0 0 481.461 4.977 40 5 JJBBRN COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3ncc[nH]3)cc2s1 ZINC000408982173 570091047 /nfs/dbraw/zinc/09/10/47/570091047.db2.gz IVINZPYEQZQJIV-UHFFFAOYSA-N 0 0 487.588 4.959 40 5 JJBBRN O=C(C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000409053187 570110630 /nfs/dbraw/zinc/11/06/30/570110630.db2.gz MLSZAGYSTFCIGU-UHFFFAOYSA-N 0 0 457.530 4.676 40 5 JJBBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)N(CC(=O)OC)C2=S)cc1 ZINC000409058589 570112887 /nfs/dbraw/zinc/11/28/87/570112887.db2.gz SZEZPERJYUGCGV-STZFKDTASA-N 0 0 491.525 4.565 40 5 JJBBRN O=C1N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1ccccc1F ZINC000409073170 570119041 /nfs/dbraw/zinc/11/90/41/570119041.db2.gz XWLMCMOTNLCQOH-ZDLGFXPLSA-N 0 0 486.253 4.849 40 5 JJBBRN COC(=O)C(=Cc1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1)C(=O)OC ZINC000409079945 570121245 /nfs/dbraw/zinc/12/12/45/570121245.db2.gz KHPVRNCZCISUMT-UHFFFAOYSA-N 0 0 489.786 4.797 40 5 JJBBRN COC(=O)C(=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C(=O)OC ZINC000409085313 570122931 /nfs/dbraw/zinc/12/29/31/570122931.db2.gz ODQJYKNQQZCPQL-UHFFFAOYSA-N 0 0 459.760 4.789 40 5 JJBBRN COC(=O)C(=Cc1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OC ZINC000409092080 570125036 /nfs/dbraw/zinc/12/50/36/570125036.db2.gz STWOTGWABJFYDU-UHFFFAOYSA-N 0 0 459.760 4.789 40 5 JJBBRN Cn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409141324 570144709 /nfs/dbraw/zinc/14/47/09/570144709.db2.gz IFWNXECHHKOEOL-UHFFFAOYSA-N 0 0 457.600 4.976 40 5 JJBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000409145444 570146630 /nfs/dbraw/zinc/14/66/30/570146630.db2.gz QGKWXAZPSBIRKZ-DEOSSOPVSA-N 0 0 463.515 4.630 40 5 JJBBRN CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409146402 570147156 /nfs/dbraw/zinc/14/71/56/570147156.db2.gz SPOJGOCRXOYADE-UHFFFAOYSA-N 0 0 452.323 4.911 40 5 JJBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)Nc1ccc(Br)cc1 ZINC000409151210 570149145 /nfs/dbraw/zinc/14/91/45/570149145.db2.gz GVRFGJGXFWCJJR-NVNXTCNLSA-N 0 0 496.726 4.686 40 5 JJBBRN O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc(Cl)c(Br)c1 ZINC000409165973 570153385 /nfs/dbraw/zinc/15/33/85/570153385.db2.gz BTPZVRVAWMCGJH-UHFFFAOYSA-N 0 0 469.704 4.792 40 5 JJBBRN Cc1cc(Br)c(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1C ZINC000409169021 570154250 /nfs/dbraw/zinc/15/42/50/570154250.db2.gz OXFOGYWGMLVXSZ-UHFFFAOYSA-N 0 0 463.313 4.755 40 5 JJBBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O ZINC000409169938 570154661 /nfs/dbraw/zinc/15/46/61/570154661.db2.gz RUVXZDRDQUBKIM-MOSHPQCFSA-N 0 0 476.514 4.677 40 5 JJBBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000409173764 570155947 /nfs/dbraw/zinc/15/59/47/570155947.db2.gz RORTURGLQDMGPI-UDWIEESQSA-N 0 0 463.471 4.838 40 5 JJBBRN Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)c1 ZINC000409175847 570156844 /nfs/dbraw/zinc/15/68/44/570156844.db2.gz VSLVFJVVTVQFKK-UHFFFAOYSA-N 0 0 469.567 4.773 40 5 JJBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000409181881 570159514 /nfs/dbraw/zinc/15/95/14/570159514.db2.gz GKCIOEIGHZPUAM-KPKJPENVSA-N 0 0 457.895 4.701 40 5 JJBBRN Cc1nc2ccccc2c2c1C(=O)N(c1cccc(C(=O)OCc3ccccc3[N+](=O)[O-])c1)C2=O ZINC000409182041 570159652 /nfs/dbraw/zinc/15/96/52/570159652.db2.gz HTRCSILQOWEAOQ-UHFFFAOYSA-N 0 0 467.437 4.609 40 5 JJBBRN COc1cccc(C2=N/C(=C\c3ccccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)c1 ZINC000409189414 570161409 /nfs/dbraw/zinc/16/14/09/570161409.db2.gz GIPDMHUKERMZSI-CEFCJMCMSA-N 0 0 470.437 4.567 40 5 JJBBRN Cc1ccc(C2=N/C(=C\c3ccccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 ZINC000409189660 570161494 /nfs/dbraw/zinc/16/14/94/570161494.db2.gz MLGADIBFJUINQK-CEFCJMCMSA-N 0 0 454.438 4.867 40 5 JJBBRN COc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000409192686 570162509 /nfs/dbraw/zinc/16/25/09/570162509.db2.gz FDINYFXXNKHQEF-TWSKGESGSA-N 0 0 484.464 4.875 40 5 JJBBRN COc1ccc(C2=N/C(=C\c3ccccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 ZINC000409194622 570163080 /nfs/dbraw/zinc/16/30/80/570163080.db2.gz PUYQNZZHAPVKFX-VCQCOGNXSA-N 0 0 470.437 4.567 40 5 JJBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O ZINC000409213228 570170885 /nfs/dbraw/zinc/17/08/85/570170885.db2.gz TVZBZYZWWNHUFQ-YSUUHWHMSA-N 0 0 493.541 4.976 40 5 JJBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)cc1 ZINC000409220002 570174048 /nfs/dbraw/zinc/17/40/48/570174048.db2.gz XHABGGNQSGZLPD-APSNUPSMSA-N 0 0 482.301 4.585 40 5 JJBBRN CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409221632 570174680 /nfs/dbraw/zinc/17/46/80/570174680.db2.gz UBGWZHKUULATGO-KGENOOAVSA-N 0 0 472.519 4.645 40 5 JJBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O ZINC000409236025 570179797 /nfs/dbraw/zinc/17/97/97/570179797.db2.gz FAXBNTSMASBULY-UDWIEESQSA-N 0 0 494.891 4.602 40 5 JJBBRN CC[C@H](C)Nc1nc(Nc2ccc(OC)cc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328966935 570179825 /nfs/dbraw/zinc/17/98/25/570179825.db2.gz CPBWVVXVJOCFPA-ZDUSSCGKSA-N 0 0 477.443 4.757 40 5 JJBBRN Cc1c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@@H](CO)C(C)C)n2)cccc1[N+](=O)[O-] ZINC000328970787 570179939 /nfs/dbraw/zinc/17/99/39/570179939.db2.gz DMMPTOOIXRATIR-IBGZPJMESA-N 0 0 491.470 5.431 40 5 JJBBRN CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409237698 570180467 /nfs/dbraw/zinc/18/04/67/570180467.db2.gz LABZPUYFIROBIS-LICLKQGHSA-N 0 0 494.729 4.892 40 5 JJBBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c3ccccc3cc3ccccc32)C1=O ZINC000409237776 570180612 /nfs/dbraw/zinc/18/06/12/570180612.db2.gz LUAZBSYASSAGNH-HZHRSRAPSA-N 0 0 451.482 4.533 40 5 JJBBRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329002393 570181106 /nfs/dbraw/zinc/18/11/06/570181106.db2.gz KHYIQMLGMVQVEV-GOSISDBHSA-N 0 0 495.433 5.262 40 5 JJBBRN CSc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccc(C)cc2)cc1 ZINC000409273499 570189562 /nfs/dbraw/zinc/18/95/62/570189562.db2.gz YOUHNBUASPTOCU-UHFFFAOYSA-N 0 0 485.587 4.768 40 5 JJBBRN CCn1c(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)nnc1-c1ccccc1 ZINC000408542822 570191942 /nfs/dbraw/zinc/19/19/42/570191942.db2.gz KZCDYJGIDOURMG-UHFFFAOYSA-N 0 0 452.323 4.911 40 5 JJBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])c(OC)c2)nnc1-c1ccc(Cl)cc1Cl ZINC000408559138 570199508 /nfs/dbraw/zinc/19/95/08/570199508.db2.gz XNKLBUKUHAMBIH-UHFFFAOYSA-N 0 0 482.349 4.919 40 5 JJBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Cc2ccccc2Cl)cc1 ZINC000409325429 570202060 /nfs/dbraw/zinc/20/20/60/570202060.db2.gz YLVCOBWOBAWKFC-UHFFFAOYSA-N 0 0 487.965 4.695 40 5 JJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)cc1Cl ZINC000408564204 570202460 /nfs/dbraw/zinc/20/24/60/570202460.db2.gz SSVQBEGRCNBPPT-UHFFFAOYSA-N 0 0 459.911 4.918 40 5 JJBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OC ZINC000408565043 570203087 /nfs/dbraw/zinc/20/30/87/570203087.db2.gz BBJRFNAZBHSXDR-SFHVURJKSA-N 0 0 493.383 4.856 40 5 JJBBRN CCOc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(OC)cc1 ZINC000408568167 570204120 /nfs/dbraw/zinc/20/41/20/570204120.db2.gz HVALIOAKBYJMMV-LJQANCHMSA-N 0 0 493.383 4.856 40 5 JJBBRN COc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1OC ZINC000408569112 570204251 /nfs/dbraw/zinc/20/42/51/570204251.db2.gz IWRVAEZGVMVFAI-IBGZPJMESA-N 0 0 493.383 4.774 40 5 JJBBRN CN1C[C@H](c2ccc(OCc3cccc4ccccc43)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408570235 570204580 /nfs/dbraw/zinc/20/45/80/570204580.db2.gz ZXLCVJATWVFLRO-VQFWCGETSA-N 0 0 479.536 4.941 40 5 JJBBRN COC(=O)c1c(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)sc2c1CCN(C)C2 ZINC000408573350 570205172 /nfs/dbraw/zinc/20/51/72/570205172.db2.gz CCPSGNHILFWPKK-XSFVSMFZSA-N 0 0 477.542 4.610 40 5 JJBBRN CCOc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(F)cc1 ZINC000408573525 570205218 /nfs/dbraw/zinc/20/52/18/570205218.db2.gz TULJCRGFTYRACB-GOSISDBHSA-N 0 0 481.347 4.986 40 5 JJBBRN O=C(C=Cc1ccc(-c2ccccc2)o1)NC(=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000408574424 570205408 /nfs/dbraw/zinc/20/54/08/570205408.db2.gz QMORGIAEWQPHMC-DHZHZOJOSA-N 0 0 496.976 4.745 40 5 JJBBRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000408574884 570205505 /nfs/dbraw/zinc/20/55/05/570205505.db2.gz FIFWGKCBUAPFBS-UHFFFAOYSA-N 0 0 459.911 4.918 40 5 JJBBRN COCCCNC(=O)c1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408574772 570205547 /nfs/dbraw/zinc/20/55/47/570205547.db2.gz CWDLUUFLEGCNFZ-PTGBLXJZSA-N 0 0 459.502 4.540 40 5 JJBBRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000408576466 570205939 /nfs/dbraw/zinc/20/59/39/570205939.db2.gz VLRRAYGFULJJLT-UHFFFAOYSA-N 0 0 459.911 4.918 40 5 JJBBRN COc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000000786319 193913456 /nfs/dbraw/zinc/91/34/56/193913456.db2.gz JIQHSBVUDXWWTA-UHFFFAOYSA-N 0 0 489.557 4.814 40 5 JJBBRN COC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000001413686 194116874 /nfs/dbraw/zinc/11/68/74/194116874.db2.gz PFIVPWZDNNOSNO-LZYBPNLTSA-N 0 0 497.312 4.690 40 5 JJBBRN FC(F)(F)c1nnc2sc3c(nn21)c1ccccc1c1nn2c(nnc2C(F)(F)F)sc13 ZINC000003850789 194364573 /nfs/dbraw/zinc/36/45/73/194364573.db2.gz NLNLVXODRXXWLF-UHFFFAOYSA-N 0 0 486.386 4.744 40 5 JJBBRN CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000008833011 194487478 /nfs/dbraw/zinc/48/74/78/194487478.db2.gz YCWLGTPYCYTHIH-UHFFFAOYSA-N 0 0 484.578 4.669 40 5 JJBBRN O=C(Nc1nc2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2s1)c1ccco1 ZINC000008902750 194493567 /nfs/dbraw/zinc/49/35/67/194493567.db2.gz XNTZIIQOZXTCRZ-UHFFFAOYSA-N 0 0 477.502 4.902 40 5 JJBBRN CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000021578234 195316241 /nfs/dbraw/zinc/31/62/41/195316241.db2.gz HJIBITZIBVOWQX-UHFFFAOYSA-N 0 0 465.337 4.603 40 5 JJBBRN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]12 ZINC000059433428 195401790 /nfs/dbraw/zinc/40/17/90/195401790.db2.gz MDTZQDXNDUZTLX-PGAZUGQPSA-N 0 0 454.482 4.564 40 5 JJBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224849502 195467673 /nfs/dbraw/zinc/46/76/73/195467673.db2.gz MNQZOXDHIDJLCD-RUZDIDTESA-N 0 0 493.991 4.955 40 5 JJBBRN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(NCCCO)c([N+](=O)[O-])c1 ZINC000096305931 130055579 /nfs/dbraw/zinc/05/55/79/130055579.db2.gz AIFSXJLGFVXCMO-UHFFFAOYSA-N 0 0 469.519 4.547 40 5 JJBBRN CC(=O)Nc1ccc(Nc2cc(Nc3ccc(NC(C)=O)cc3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000016790382 519727521 /nfs/dbraw/zinc/72/75/21/519727521.db2.gz CAMICUSQPFHMAL-UHFFFAOYSA-N 0 0 464.438 4.907 40 5 JJBBRN CCOc1ccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)cc1[N+](=O)[O-] ZINC000016693019 520902408 /nfs/dbraw/zinc/90/24/08/520902408.db2.gz IWVAOZJVDVLQGH-UHFFFAOYSA-N 0 0 450.929 4.692 40 5 JJBBRN CCOc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1[N+](=O)[O-] ZINC000022757242 520902717 /nfs/dbraw/zinc/90/27/17/520902717.db2.gz PDUKPYQCHPCLLV-UHFFFAOYSA-N 0 0 496.936 4.508 40 5 JJBBRN COC(=O)c1cccc(NC(=S)N[C@@H]2C=C[C@@H](c3c(C)nn(-c4ccccc4[N+](=O)[O-])c3C)C2)c1 ZINC000008624203 522240358 /nfs/dbraw/zinc/24/03/58/522240358.db2.gz NAEXNCSPJNCAGW-YLJYHZDGSA-N 0 0 491.573 4.583 40 5 biogenic,in-vitro JJBBRN CC[C@@H](CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000008637342 522528944 /nfs/dbraw/zinc/52/89/44/522528944.db2.gz SZODNUUDIAIQDO-QFIPXVFZSA-N 0 0 469.494 4.914 40 5 JJBBRN COc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000006157250 523317564 /nfs/dbraw/zinc/31/75/64/523317564.db2.gz IIEIUSPILXKTNX-UHFFFAOYSA-N 0 0 475.530 4.506 40 5 JJBBRN COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1 ZINC000016226771 524196046 /nfs/dbraw/zinc/19/60/46/524196046.db2.gz NSWAGLCESZCHBN-UHFFFAOYSA-N 0 0 480.952 4.831 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccco2)c(-c2ccco2)n1 ZINC000012493781 526083606 /nfs/dbraw/zinc/08/36/06/526083606.db2.gz CVMHDBJCQSBMSC-CYBMUJFWSA-N 0 0 451.464 4.728 40 5 JJBBRN Cc1ccc(C(=O)[C@H]2[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]3CSCN3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000013816529 526240604 /nfs/dbraw/zinc/24/06/04/526240604.db2.gz GWWBCAZAJVPJLP-ZOJNDGCKSA-N 0 0 485.565 4.722 40 5 JJBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1O ZINC000016476477 526433515 /nfs/dbraw/zinc/43/35/15/526433515.db2.gz UVTOEXNTBVOKQM-HXUWFJFHSA-N 0 0 456.248 4.844 40 5 JJBBRN O=C(c1ccc(F)cc1)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000036307655 526691046 /nfs/dbraw/zinc/69/10/46/526691046.db2.gz DICDTGNVYWHHSF-ZGXDEKTJSA-N 0 0 489.528 4.553 40 5 JJBBRN O=C1N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(Br)cc1 ZINC000009262796 527039451 /nfs/dbraw/zinc/03/94/51/527039451.db2.gz STCWGDMMKPUQAS-WOJGMQOQSA-N 0 0 468.263 4.710 40 5 JJBBRN O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000016399815 527227053 /nfs/dbraw/zinc/22/70/53/527227053.db2.gz GOECRAZTHHSAHK-UHFFFAOYSA-N 0 0 492.404 4.869 40 5 JJBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)OC[C@@H](COc1ccccc1)OC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004803496 527260494 /nfs/dbraw/zinc/26/04/94/527260494.db2.gz XPYGEPWGGGENFC-OAQYLSRUSA-N 0 0 496.432 4.748 40 5 JJBBRN O=[N+]([O-])c1ccc2c(c1)nc(SC[C@H]1COc3ccccc3O1)n2C[C@H]1COc2ccccc2O1 ZINC000016525008 527380263 /nfs/dbraw/zinc/38/02/63/527380263.db2.gz VSXVRBNVULAKSU-ZWKOTPCHSA-N 0 0 491.525 4.717 40 5 JJBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000016399706 527627856 /nfs/dbraw/zinc/62/78/56/527627856.db2.gz JDRWFWNHSBNALO-RMKNXTFCSA-N 0 0 464.469 4.740 40 5 JJBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C2CCCCC2)cc1 ZINC000000853514 553799135 /nfs/dbraw/zinc/79/91/35/553799135.db2.gz VXTNTWYJIYNNFX-UHFFFAOYSA-N 0 0 465.959 4.519 40 5 JJBBRN O=[N+]([O-])c1cc([C@H]2SCCN2S(=O)(=O)c2ccc3cccc4c3c2CC4)ccc1Cl ZINC000000855158 553799898 /nfs/dbraw/zinc/79/98/98/553799898.db2.gz KBTLVKZUCZYPAQ-OAQYLSRUSA-N 0 0 460.964 4.936 40 5 JJBBRN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1)Nc1cccc2ccccc21 ZINC000000876194 553812624 /nfs/dbraw/zinc/81/26/24/553812624.db2.gz BEZRAEWKXFXHRN-HXUWFJFHSA-N 0 0 489.557 4.916 40 5 JJBBRN CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN21 ZINC000002245756 554111143 /nfs/dbraw/zinc/11/11/43/554111143.db2.gz RKCPGGHAUZDUES-YRPNKDGESA-N 0 0 456.340 4.566 40 5 JJBBRN COC(=O)c1cc(C)cc(N(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(C)cc2)c1C ZINC000004946590 554483591 /nfs/dbraw/zinc/48/35/91/554483591.db2.gz VPRZNQHKGKZQDO-UHFFFAOYSA-N 0 0 454.504 4.834 40 5 JJBBRN CCn1c(CNc2cccc(C(F)(F)F)c2)nnc1S[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006135639 554507822 /nfs/dbraw/zinc/50/78/22/554507822.db2.gz PGXDTXOIAQDMRO-ZDUSSCGKSA-N 0 0 494.499 4.956 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2ccc(O)cc2)n1-c1ccccc1 ZINC000006280810 554525078 /nfs/dbraw/zinc/52/50/78/554525078.db2.gz DFXFPDJOLIWJMX-INIZCTEOSA-N 0 0 475.530 4.976 40 5 JJBBRN Cc1cccc(NCc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2-c2ccccc2)c1 ZINC000006442604 554536719 /nfs/dbraw/zinc/53/67/19/554536719.db2.gz IQVVMNRDOLZPIR-UHFFFAOYSA-N 0 0 474.546 4.827 40 5 JJBBRN O=C(CSc1nnc(CCc2nc3ccccc3[nH]2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000006446864 554541240 /nfs/dbraw/zinc/54/12/40/554541240.db2.gz LSOFYZDFHLQYNE-UHFFFAOYSA-N 0 0 499.556 4.568 40 5 JJBBRN CCOc1ccc(NC(=O)c2sc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c(C(=O)OC)c2C)cc1 ZINC000006601199 554555970 /nfs/dbraw/zinc/55/59/70/554555970.db2.gz IOTCXEOWNIRWPG-UHFFFAOYSA-N 0 0 497.529 4.963 40 5 JJBBRN CCc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nn1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000006860744 554559399 /nfs/dbraw/zinc/55/93/99/554559399.db2.gz WJCMARXADJORHB-UHFFFAOYSA-N 0 0 487.541 4.835 40 5 JJBBRN O=C(CSc1nnc(-c2ccc(Br)cc2)o1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000008759136 554661158 /nfs/dbraw/zinc/66/11/58/554661158.db2.gz RQULIXDYKOFSDD-UHFFFAOYSA-N 0 0 469.704 4.792 40 5 JJBBRN COCCOC(=O)c1c(C)n(CCCNc2ccc([N+](=O)[O-])cc2Cl)c2ccc(O)cc21 ZINC000008783621 554680475 /nfs/dbraw/zinc/68/04/75/554680475.db2.gz QROUXKTXCYBOMI-UHFFFAOYSA-N 0 0 461.902 4.522 40 5 biogenic,in-vitro JJBBRN O=C(c1cc2c3ccccc3n3c2c(n1)c1ccccc1c3=O)N1CCN(c2ccccc2F)CC1 ZINC000008792389 554685804 /nfs/dbraw/zinc/68/58/04/554685804.db2.gz NURDNHOTKFMWPO-UHFFFAOYSA-N 0 0 476.511 4.693 40 5 biogenic JJBBRN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000008831481 554722579 /nfs/dbraw/zinc/72/25/79/554722579.db2.gz IAFUVNVFFSAVCC-UHFFFAOYSA-N 0 0 472.910 4.984 40 5 JJBBRN CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000008832148 554725480 /nfs/dbraw/zinc/72/54/80/554725480.db2.gz DRFYXOIJIYFJDL-UHFFFAOYSA-N 0 0 456.506 4.744 40 5 JJBBRN Cc1cc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1Br ZINC000008833009 554729449 /nfs/dbraw/zinc/72/94/49/554729449.db2.gz TXJTZCWMQWGQDF-UHFFFAOYSA-N 0 0 477.384 4.783 40 5 JJBBRN Cc1c(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000008901897 554795743 /nfs/dbraw/zinc/79/57/43/554795743.db2.gz RIXDNCWOLXPWON-UHFFFAOYSA-N 0 0 478.936 4.771 40 5 JJBBRN O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc2c(Br)cccc12 ZINC000008902472 554796387 /nfs/dbraw/zinc/79/63/87/554796387.db2.gz QJOZBIGGBBWAGO-UHFFFAOYSA-N 0 0 456.296 4.599 40 5 JJBBRN COc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)s2)cc1 ZINC000009062293 554879753 /nfs/dbraw/zinc/87/97/53/554879753.db2.gz LVXHUQQWYYXSBL-UHFFFAOYSA-N 0 0 475.486 4.627 40 5 JJBBRN C[C@H](NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 ZINC000009064660 554883050 /nfs/dbraw/zinc/88/30/50/554883050.db2.gz UFUIOEQWJIFNPA-DUXBZUBYSA-N 0 0 470.639 4.794 40 5 JJBBRN O=C(NC(=S)Nc1ccccc1C(F)(F)F)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000009064664 554883063 /nfs/dbraw/zinc/88/30/63/554883063.db2.gz FDWXBPGUHWAKRF-UHFFFAOYSA-N 0 0 452.458 4.731 40 5 JJBBRN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br ZINC000009064939 554884714 /nfs/dbraw/zinc/88/47/14/554884714.db2.gz WNGJMTMRWDAVFJ-UHFFFAOYSA-N 0 0 460.309 4.646 40 5 JJBBRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)c(C)c1 ZINC000009307786 555081085 /nfs/dbraw/zinc/08/10/85/555081085.db2.gz TXRMFAGOPOCSLU-ZRBLBEILSA-N 0 0 477.904 4.916 40 5 JJBBRN COC(=O)c1c(C)c(C(=O)Nc2ccc(Cl)cc2)sc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013401236 555395780 /nfs/dbraw/zinc/39/57/80/555395780.db2.gz XWZLVIWJISYAMK-UHFFFAOYSA-N 0 0 473.894 4.909 40 5 JJBBRN COC(=O)c1c(C)c(C(=O)Nc2cccc([N+](=O)[O-])c2)sc1NC(=O)c1ccccc1C ZINC000013424271 555398497 /nfs/dbraw/zinc/39/84/97/555398497.db2.gz JEHTYZRZWNSXGB-UHFFFAOYSA-N 0 0 453.476 4.564 40 5 JJBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2cc(C)cc(C)c2)cc1 ZINC000019856594 555516540 /nfs/dbraw/zinc/51/65/40/555516540.db2.gz UZXHOVNSFWWPJO-UHFFFAOYSA-N 0 0 467.547 4.662 40 5 JJBBRN COc1ccc(OCc2nnc(SCC(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)o2)cc1 ZINC000019929318 555546149 /nfs/dbraw/zinc/54/61/49/555546149.db2.gz ADUJYUIWKJWXNI-UHFFFAOYSA-N 0 0 485.305 4.603 40 5 JJBBRN C[C@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000010111833 555623180 /nfs/dbraw/zinc/62/31/80/555623180.db2.gz GLANWWBUQAZCRJ-IBGZPJMESA-N 0 0 495.601 4.965 40 5 JJBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](C)Oc1ccccc1 ZINC000013850142 555634266 /nfs/dbraw/zinc/63/42/66/555634266.db2.gz IDNYWHLPKHUIAZ-CYBMUJFWSA-N 0 0 461.931 4.730 40 5 JJBBRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000020142606 555663578 /nfs/dbraw/zinc/66/35/78/555663578.db2.gz HAEDSHWYYWXNDP-UHFFFAOYSA-N 0 0 451.479 4.598 40 5 JJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1C ZINC000013980912 555666527 /nfs/dbraw/zinc/66/65/27/555666527.db2.gz KMDMKYUWEXQAGM-UHFFFAOYSA-N 0 0 459.911 4.918 40 5 JJBBRN CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1Cl ZINC000014070140 555678690 /nfs/dbraw/zinc/67/86/90/555678690.db2.gz KQRVQAFTRQEJAX-UHFFFAOYSA-N 0 0 452.323 4.911 40 5 JJBBRN Cc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)cc1[N+](=O)[O-] ZINC000014270228 555761947 /nfs/dbraw/zinc/76/19/47/555761947.db2.gz RRGZXQKQVJMYDE-UHFFFAOYSA-N 0 0 462.487 4.852 40 5 JJBBRN O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000014270408 555762662 /nfs/dbraw/zinc/76/26/62/555762662.db2.gz WBQFDIJGXFDUPG-UHFFFAOYSA-N 0 0 451.291 4.793 40 5 JJBBRN O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014271141 555765166 /nfs/dbraw/zinc/76/51/66/555765166.db2.gz VSDDUJDUWRQBCB-UHFFFAOYSA-N 0 0 472.876 4.994 40 5 JJBBRN CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 ZINC000014273475 555773352 /nfs/dbraw/zinc/77/33/52/555773352.db2.gz HXFUNNJBRMRPMD-UHFFFAOYSA-N 0 0 462.506 4.556 40 5 JJBBRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000014275892 555782066 /nfs/dbraw/zinc/78/20/66/555782066.db2.gz DGUWWTRMTHUBNI-UHFFFAOYSA-N 0 0 482.525 4.917 40 5 JJBBRN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000014276214 555783103 /nfs/dbraw/zinc/78/31/03/555783103.db2.gz HQRCFEOQMMWDEN-UHFFFAOYSA-N 0 0 483.594 4.841 40 5 JJBBRN O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000014291012 555791619 /nfs/dbraw/zinc/79/16/19/555791619.db2.gz BSACPCDUCMBGBL-UHFFFAOYSA-N 0 0 489.315 4.709 40 5 JJBBRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000020528705 555792949 /nfs/dbraw/zinc/79/29/49/555792949.db2.gz GTUQKBDIEMNJKN-RMKNXTFCSA-N 0 0 470.957 4.595 40 5 JJBBRN O=C(/C=C/c1ccccc1)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CC1 ZINC000020529017 555793670 /nfs/dbraw/zinc/79/36/70/555793670.db2.gz IGUNOPVBNIGTJV-AWNIVKPZSA-N 0 0 490.947 4.863 40 5 JJBBRN CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)c1C ZINC000014405246 555807654 /nfs/dbraw/zinc/80/76/54/555807654.db2.gz LPAVSJBEEYONRI-UHFFFAOYSA-N 0 0 480.481 4.621 40 5 JJBBRN CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000014409832 555809822 /nfs/dbraw/zinc/80/98/22/555809822.db2.gz LFSURVRETGIZFV-UHFFFAOYSA-N 0 0 452.323 4.911 40 5 JJBBRN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000014411300 555810331 /nfs/dbraw/zinc/81/03/31/555810331.db2.gz XFAPLUAFNWQXSZ-HKOYGPOVSA-N 0 0 477.542 4.559 40 5 JJBBRN CC[C@@H](C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000022257374 555904902 /nfs/dbraw/zinc/90/49/02/555904902.db2.gz SMKYREVIGBBHPJ-OAHLLOKOSA-N 0 0 458.902 4.813 40 5 JJBBRN COc1ccc(-c2noc(CN(C(=O)COc3ccc([N+](=O)[O-])c(C)c3)C3CCCCC3)n2)cc1 ZINC000022257462 555905263 /nfs/dbraw/zinc/90/52/63/555905263.db2.gz TZSWUHUMSYLOQZ-UHFFFAOYSA-N 0 0 480.521 4.702 40 5 JJBBRN Cc1cc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C2CCCC2)ccc1[N+](=O)[O-] ZINC000022257390 555905273 /nfs/dbraw/zinc/90/52/73/555905273.db2.gz JCRYINARYXTDJI-UHFFFAOYSA-N 0 0 470.913 4.957 40 5 JJBBRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 ZINC000015438926 555908789 /nfs/dbraw/zinc/90/87/89/555908789.db2.gz SHRLWVOMRVBRGH-UHFFFAOYSA-N 0 0 475.910 4.700 40 5 JJBBRN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cc(I)ccc1Cl ZINC000022567411 555936579 /nfs/dbraw/zinc/93/65/79/555936579.db2.gz BEJVECSPBMVRDH-UHFFFAOYSA-N 0 0 459.652 4.715 40 5 JJBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccccc4[N+](=O)[O-])cc3n2)cc1 ZINC000022710431 555945765 /nfs/dbraw/zinc/94/57/65/555945765.db2.gz GLDXYKKSWOIMRU-UHFFFAOYSA-N 0 0 474.521 4.501 40 5 JJBBRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 ZINC000012492138 555988943 /nfs/dbraw/zinc/98/89/43/555988943.db2.gz KGSINJSPMCLOQV-UHFFFAOYSA-N 0 0 475.910 4.700 40 5 JJBBRN CC(=O)N1C[C@H](C(=O)Nc2c3ccccc3n3c2c2ccccc2nc3C)Oc2ccccc21 ZINC000024478954 556132066 /nfs/dbraw/zinc/13/20/66/556132066.db2.gz NDIXGDSQUWQXGX-XMMPIXPASA-N 0 0 450.498 4.702 40 5 JJBBRN CC(C)(C)c1ccc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000016323231 556135429 /nfs/dbraw/zinc/13/54/29/556135429.db2.gz VDZRIWQPSSYCGU-UHFFFAOYSA-N 0 0 465.472 4.639 40 5 JJBBRN CSc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C(=O)N1CCCCCC1 ZINC000026120864 556249167 /nfs/dbraw/zinc/24/91/67/556249167.db2.gz QLYGGFCIOOBQBP-UHFFFAOYSA-N 0 0 483.999 4.787 40 5 JJBBRN CC1(C)C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@](C)(NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000026780132 556262199 /nfs/dbraw/zinc/26/21/99/556262199.db2.gz NYUBSMQXGONDTH-SBUREZEXSA-N 0 0 484.513 4.784 40 5 JJBBRN COc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1Cl ZINC000032109651 556419840 /nfs/dbraw/zinc/41/98/40/556419840.db2.gz QIHSGSOZPZOZGR-UHFFFAOYSA-N 0 0 451.870 4.860 40 5 JJBBRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1OC ZINC000032114905 556421551 /nfs/dbraw/zinc/42/15/51/556421551.db2.gz OBZVXXZKHMOASB-UHFFFAOYSA-N 0 0 464.931 4.512 40 5 JJBBRN CCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2s1 ZINC000057315700 569597115 /nfs/dbraw/zinc/59/71/15/569597115.db2.gz YEQOOGAZGQRKAU-UHFFFAOYSA-N 0 0 495.542 4.940 40 5 JJBBRN Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc(C)c1I ZINC000059294190 569602425 /nfs/dbraw/zinc/60/24/25/569602425.db2.gz DUKNQZGCRZHJIX-UHFFFAOYSA-N 0 0 465.291 4.669 40 5 JJBBRN O=C1[C@@H]2[C@H](C(=O)N1c1cc(Cl)ccc1Cl)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000059503343 569606411 /nfs/dbraw/zinc/60/64/11/569606411.db2.gz GULXCRZCHVOWIN-CAZKKTPXSA-N 0 0 465.292 4.778 40 5 JJBBRN Cc1ccc(C(=O)[C@H]2[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3CSCN3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000035851891 569716749 /nfs/dbraw/zinc/71/67/49/569716749.db2.gz QPGZIVYPMJDZHQ-VNAWGFGGSA-N 0 0 485.565 4.722 40 5 JJBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000101111005 569783176 /nfs/dbraw/zinc/78/31/76/569783176.db2.gz QFBRVYRJRGJSGC-BDTNDASRSA-N 0 0 498.322 4.948 40 5 JJBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000101143947 569784446 /nfs/dbraw/zinc/78/44/46/569784446.db2.gz PNRAUUFHWKLZIG-HBMCJLEFSA-N 0 0 484.295 4.953 40 5 JJBBRN CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)cc1 ZINC000101201869 569786927 /nfs/dbraw/zinc/78/69/27/569786927.db2.gz PTRLPRDADMWKPV-VABKMULXSA-N 0 0 493.903 4.698 40 5 JJBBRN Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000039750350 569811254 /nfs/dbraw/zinc/81/12/54/569811254.db2.gz AYRAYQBZTAJGTE-UHFFFAOYSA-N 0 0 459.487 4.926 40 5 JJBBRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000102708239 569816733 /nfs/dbraw/zinc/81/67/33/569816733.db2.gz ZZGDUMSFNPCPEV-ZJOUEHCJSA-N 0 0 484.295 4.953 40 5 JJBBRN O=C1[C@@H]2[C@H](c3cccc([N+](=O)[O-])c3)N(c3ccccc3)O[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000102711919 569817070 /nfs/dbraw/zinc/81/70/70/569817070.db2.gz CFLOBRJPPPOLTK-DSITVLBTSA-N 0 0 465.465 4.799 40 5 JJBBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000102725693 569817717 /nfs/dbraw/zinc/81/77/17/569817717.db2.gz HTMKSIUKRBNEIZ-GVAUOCQISA-N 0 0 465.465 4.799 40 5 JJBBRN CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102758497 569821511 /nfs/dbraw/zinc/82/15/11/569821511.db2.gz OFCILHBPDUWKEH-XPWALMASSA-N 0 0 477.904 4.862 40 5 JJBBRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 ZINC000040717455 569830382 /nfs/dbraw/zinc/83/03/82/569830382.db2.gz SZIKCWURYANRMS-UHFFFAOYSA-N 0 0 476.533 4.802 40 5 JJBBRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000105634648 569853238 /nfs/dbraw/zinc/85/32/38/569853238.db2.gz RSWNIEUOIPDXHI-UHFFFAOYSA-N 0 0 459.911 4.918 40 5 JJBBRN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)Nc1ccccc1 ZINC000106710238 569854979 /nfs/dbraw/zinc/85/49/79/569854979.db2.gz VQJDEUKWBBPFHF-CHHVJCJISA-N 0 0 452.275 4.577 40 5 JJBBRN COC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O ZINC000106750699 569855514 /nfs/dbraw/zinc/85/55/14/569855514.db2.gz NVPMNNZRVCZVSF-SXGWCWSVSA-N 0 0 464.908 4.609 40 5 JJBBRN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)Nc1ccc(F)cc1F ZINC000108143476 569858882 /nfs/dbraw/zinc/85/88/82/569858882.db2.gz RRPZZOJCINTZNW-TVPGTPATSA-N 0 0 488.255 4.855 40 5 JJBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21 ZINC000138752919 569866361 /nfs/dbraw/zinc/86/63/61/569866361.db2.gz GERCOACNCQBUDN-OWDMVUQNSA-N 0 0 488.327 4.656 40 5 JJBBRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2Cl)cc1 ZINC000216386721 569878595 /nfs/dbraw/zinc/87/85/95/569878595.db2.gz CPLCQIDHSXPCNJ-UHFFFAOYSA-N 0 0 459.911 4.918 40 5 JJBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222988108 569896294 /nfs/dbraw/zinc/89/62/94/569896294.db2.gz VEUGUBJFQQRQOD-AWEZNQCLSA-N 0 0 466.365 4.776 40 5 JJBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223135597 569900656 /nfs/dbraw/zinc/90/06/56/569900656.db2.gz DOBYMTFIJQXVAN-OAQYLSRUSA-N 0 0 457.596 4.550 40 5 JJBBRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223194567 569902882 /nfs/dbraw/zinc/90/28/82/569902882.db2.gz CZZRBBRWPBBEPU-KRWDZBQOSA-N 0 0 478.014 4.815 40 5 JJBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 ZINC000223397304 569909817 /nfs/dbraw/zinc/90/98/17/569909817.db2.gz FJFDKKXUONOVLI-DNQXCXABSA-N 0 0 455.543 4.953 40 5 JJBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 ZINC000223397244 569909842 /nfs/dbraw/zinc/90/98/42/569909842.db2.gz YAAFOXMJLCKLOV-ZEQRLZLVSA-N 0 0 455.543 4.953 40 5 JJBBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000223434349 569911295 /nfs/dbraw/zinc/91/12/95/569911295.db2.gz RWAYNISNVFBLRZ-LOSJGSFVSA-N 0 0 485.569 4.962 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)o1 ZINC000223516363 569914268 /nfs/dbraw/zinc/91/42/68/569914268.db2.gz SOLCQEIMPBLNPH-ZEQRLZLVSA-N 0 0 487.541 4.826 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)o1 ZINC000223556902 569915910 /nfs/dbraw/zinc/91/59/10/569915910.db2.gz GMUUXAPFRAXYGO-DNQXCXABSA-N 0 0 487.541 4.826 40 5 JJBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)o2)c1 ZINC000223560930 569916046 /nfs/dbraw/zinc/91/60/46/569916046.db2.gz PWFPZGWQJNPVAA-XZOQPEGZSA-N 0 0 457.515 4.818 40 5 JJBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)o2)c1 ZINC000223560986 569916051 /nfs/dbraw/zinc/91/60/51/569916051.db2.gz PWFPZGWQJNPVAA-GOTSBHOMSA-N 0 0 457.515 4.818 40 5 JJBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)o2)c1 ZINC000223560870 569916061 /nfs/dbraw/zinc/91/60/61/569916061.db2.gz PWFPZGWQJNPVAA-PKTZIBPZSA-N 0 0 457.515 4.818 40 5 JJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223632134 569918493 /nfs/dbraw/zinc/91/84/93/569918493.db2.gz QPNYJACYOHSZTH-QFIPXVFZSA-N 0 0 487.622 4.559 40 5 JJBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223980186 569929343 /nfs/dbraw/zinc/92/93/43/569929343.db2.gz SRQIPYBZAVTFRJ-HNNXBMFYSA-N 0 0 478.376 4.920 40 5 JJBBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000223987038 569929559 /nfs/dbraw/zinc/92/95/59/569929559.db2.gz XXGAJSAFDJCEEI-DQEYMECFSA-N 0 0 498.568 4.916 40 5 JJBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223991450 569929729 /nfs/dbraw/zinc/92/97/29/569929729.db2.gz SWXJQADBMNHUNK-HSZRJFAPSA-N 0 0 487.622 4.560 40 5 JJBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1 ZINC000224026021 569931048 /nfs/dbraw/zinc/93/10/48/569931048.db2.gz LLSOZVXTTZDPRZ-DNQXCXABSA-N 0 0 485.525 4.686 40 5 JJBBRN CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224033998 569931250 /nfs/dbraw/zinc/93/12/50/569931250.db2.gz UQQLDZHCSZDUIJ-HSZRJFAPSA-N 0 0 471.623 4.594 40 5 JJBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224328248 569940862 /nfs/dbraw/zinc/94/08/62/569940862.db2.gz ADBOOAXPBLUHQN-OAQYLSRUSA-N 0 0 457.958 4.657 40 5 JJBBRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224353866 569941646 /nfs/dbraw/zinc/94/16/46/569941646.db2.gz FXSILPCCDKHYNG-OAHLLOKOSA-N 0 0 466.365 4.634 40 5 JJBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224368502 569942241 /nfs/dbraw/zinc/94/22/41/569942241.db2.gz LXPRILUAMJGEIV-HSZRJFAPSA-N 0 0 487.597 4.833 40 5 JJBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224530528 569947426 /nfs/dbraw/zinc/94/74/26/569947426.db2.gz VTFAUEIJPAEBCH-DEOSSOPVSA-N 0 0 499.633 4.703 40 5 JJBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224595134 569949951 /nfs/dbraw/zinc/94/99/51/569949951.db2.gz RDYIGASVNZZARS-HSZRJFAPSA-N 0 0 471.623 4.716 40 5 JJBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224741046 569955631 /nfs/dbraw/zinc/95/56/31/569955631.db2.gz LGQAFOCJDOAZHM-JOCHJYFZSA-N 0 0 475.586 4.547 40 5 JJBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224791720 569957800 /nfs/dbraw/zinc/95/78/00/569957800.db2.gz YCNDPGRFDVNXTO-KRWDZBQOSA-N 0 0 457.958 4.657 40 5 JJBBRN Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000224796795 569957996 /nfs/dbraw/zinc/95/79/96/569957996.db2.gz HPDLYYRZULSHCU-SANMLTNESA-N 0 0 473.573 4.610 40 5 JJBBRN CS(=O)(=O)N(CCCC(=O)Nc1ccc2c(c1)oc1ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000224820126 569959141 /nfs/dbraw/zinc/95/91/41/569959141.db2.gz XNEHBLTXDVAVIH-UHFFFAOYSA-N 0 0 467.503 4.679 40 5 JJBBRN CCCC[C@@H](CC)CNC(=O)c1ccc(CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 ZINC000224833081 569959617 /nfs/dbraw/zinc/95/96/17/569959617.db2.gz STFDORJUWPPNRB-GOSISDBHSA-N 0 0 491.610 4.516 40 5 JJBBRN CCCC[C@H](CC)CNC(=O)c1ccc(CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 ZINC000224833124 569959646 /nfs/dbraw/zinc/95/96/46/569959646.db2.gz STFDORJUWPPNRB-SFHVURJKSA-N 0 0 491.610 4.516 40 5 JJBBRN Cc1c(N(Cc2ccc(C(=O)NC(C)(C)CC(C)(C)C)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000224862714 569960680 /nfs/dbraw/zinc/96/06/80/569960680.db2.gz BYAVLVGBHJYGCA-UHFFFAOYSA-N 0 0 475.611 4.814 40 5 JJBBRN COc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224956577 569965015 /nfs/dbraw/zinc/96/50/15/569965015.db2.gz XKDZMHJEZIUGHZ-IBGZPJMESA-N 0 0 499.633 4.703 40 5 JJBBRN CCCOc1c(I)cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OCC ZINC000408621410 569978292 /nfs/dbraw/zinc/97/82/92/569978292.db2.gz OAWVTJVLEHIORO-UHFFFAOYSA-N 0 0 484.290 4.948 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225136292 569977373 /nfs/dbraw/zinc/97/73/73/569977373.db2.gz MFAPYMLJIIKLDM-SJORKVTESA-N 0 0 478.014 4.813 40 5 JJBBRN CCCOc1c(I)cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000408620869 569978086 /nfs/dbraw/zinc/97/80/86/569978086.db2.gz MPODCOVKUFDBCQ-UHFFFAOYSA-N 0 0 470.263 4.558 40 5 JJBBRN CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]12 ZINC000408623239 569979223 /nfs/dbraw/zinc/97/92/23/569979223.db2.gz RHKFIMMSMUWTAI-PJYWLYPCSA-N 0 0 458.901 4.993 40 5 JJBBRN CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225283207 569988106 /nfs/dbraw/zinc/98/81/06/569988106.db2.gz HECFJOPJZUHPAD-IBGZPJMESA-N 0 0 466.365 4.778 40 5 JJBBRN CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225310006 569989687 /nfs/dbraw/zinc/98/96/87/569989687.db2.gz KFRIFIRXNJFDQW-IBGZPJMESA-N 0 0 466.365 4.778 40 5 JJBBRN O=C(CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000408646578 569991936 /nfs/dbraw/zinc/99/19/36/569991936.db2.gz PVDSQSBPTCOZIT-UHFFFAOYSA-N 0 0 497.891 4.941 40 5 JJBBRN Cc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C2)cc1 ZINC000408647609 569992433 /nfs/dbraw/zinc/99/24/33/569992433.db2.gz JNWPWFJEMYJKRT-AVRDEDQJSA-N 0 0 472.497 4.738 40 5 JJBBRN CC[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408662349 570001616 /nfs/dbraw/zinc/00/16/16/570001616.db2.gz XXHOLQWAEHFDMO-IBGZPJMESA-N 0 0 491.887 4.563 40 5 JJBBRN O=C(CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1 ZINC000225519477 570001974 /nfs/dbraw/zinc/00/19/74/570001974.db2.gz SRVCBDYTMLGKRZ-DQEYMECFSA-N 0 0 499.552 4.861 40 5 JJBBRN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c([N+](=O)[O-])c1 ZINC000408667190 570005150 /nfs/dbraw/zinc/00/51/50/570005150.db2.gz VFEJILOKCBEXLF-AGYDLCDTSA-N 0 0 495.318 4.701 40 5 JJBBRN Cc1ccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000408669578 570006617 /nfs/dbraw/zinc/00/66/17/570006617.db2.gz WWNLBHGKAFMVFP-UHFFFAOYSA-N 0 0 491.500 4.986 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)CC1=O ZINC000408671117 570007465 /nfs/dbraw/zinc/00/74/65/570007465.db2.gz SVZYOISXJSGTTJ-SFHVURJKSA-N 0 0 474.513 4.888 40 5 JJBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 ZINC000408681347 570012535 /nfs/dbraw/zinc/01/25/35/570012535.db2.gz HVPFKICCUDRYQX-UKPHBRMFSA-N 0 0 490.343 4.880 40 5 JJBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000408683540 570013242 /nfs/dbraw/zinc/01/32/42/570013242.db2.gz LNWCSNXDMKNCPP-GJZGRUSLSA-N 0 0 476.316 4.634 40 5 JJBBRN CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000408684257 570013460 /nfs/dbraw/zinc/01/34/60/570013460.db2.gz NDSTXVWPCQMTRZ-OALUTQOASA-N 0 0 488.327 4.800 40 5 JJBBRN CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000408684256 570013476 /nfs/dbraw/zinc/01/34/76/570013476.db2.gz NDSTXVWPCQMTRZ-MOPGFXCFSA-N 0 0 488.327 4.800 40 5 JJBBRN CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 ZINC000408684555 570013541 /nfs/dbraw/zinc/01/35/41/570013541.db2.gz NSWBMKOMGWQMOS-WMZOPIPTSA-N 0 0 488.327 4.800 40 5 JJBBRN C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000408685681 570013922 /nfs/dbraw/zinc/01/39/22/570013922.db2.gz PXTILKMHWSTYPL-ZNOIYHFQSA-N 0 0 490.343 4.880 40 5 JJBBRN Cc1ccc(C(=O)C[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408688670 570014557 /nfs/dbraw/zinc/01/45/57/570014557.db2.gz WMSZBRPGRMGAGC-QHCPKHFHSA-N 0 0 451.500 4.510 40 5 JJBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21 ZINC000408689522 570014909 /nfs/dbraw/zinc/01/49/09/570014909.db2.gz YKXPUWLBVVWSKN-DUXSXAKTSA-N 0 0 488.327 4.656 40 5 JJBBRN Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccccc2)[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]21 ZINC000408730649 570029005 /nfs/dbraw/zinc/02/90/05/570029005.db2.gz GTESCVPNCPPFFS-XTKIHQQCSA-N 0 0 494.503 4.733 40 5 JJBBRN CCOC(=O)C1=C(C)N(C)C(SC)=N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408731104 570029124 /nfs/dbraw/zinc/02/91/24/570029124.db2.gz KOEMEYIOUXHHKE-QFIPXVFZSA-N 0 0 485.562 4.725 40 5 JJBBRN Cc1cccc(/C=c2\sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c1 ZINC000408781666 570041725 /nfs/dbraw/zinc/04/17/25/570041725.db2.gz FAABTTYMQAKPPT-LMSRTUJASA-N 0 0 479.561 4.535 40 5 JJBBRN COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408814542 570050004 /nfs/dbraw/zinc/05/00/04/570050004.db2.gz FZCSPDMAEAXCEA-SXGWCWSVSA-N 0 0 479.308 4.611 40 5 JJBBRN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)c([N+](=O)[O-])c1 ZINC000408918447 570076116 /nfs/dbraw/zinc/07/61/16/570076116.db2.gz KPHHIAUFPCIMJZ-LQDNNDEMSA-N 0 0 489.325 4.806 40 5 JJBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000408918278 570076187 /nfs/dbraw/zinc/07/61/87/570076187.db2.gz IIGLHPCOQPGXFW-ZRDDSIGQSA-N 0 0 465.292 4.995 40 5 JJBBRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000408921594 570077323 /nfs/dbraw/zinc/07/73/23/570077323.db2.gz JGCCFJRKTQNGPF-MDWZMJQESA-N 0 0 451.504 4.664 40 5 JJBBRN O=C1N/C(=C\c2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000408932378 570080419 /nfs/dbraw/zinc/08/04/19/570080419.db2.gz WKSUYOGSYHWPFB-BKUYFWCQSA-N 0 0 463.877 4.920 40 5 JJBBRN COC(=O)c1ccc(NC(=O)c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 ZINC000408974680 570089484 /nfs/dbraw/zinc/08/94/84/570089484.db2.gz GPVURERPDZDKGS-UHFFFAOYSA-N 0 0 459.465 4.918 40 5 JJBBRN COc1ccc(Cl)cc1C1=N/C(=C\c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)C(=O)O1 ZINC000409003187 570096857 /nfs/dbraw/zinc/09/68/57/570096857.db2.gz FFMAJPJJRRMJDQ-JAIQZWGSSA-N 0 0 478.844 4.821 40 5 JJBBRN O=C1N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccc(F)cc1 ZINC000409010426 570099265 /nfs/dbraw/zinc/09/92/65/570099265.db2.gz DWPXIQYNJXWMKJ-YBFXNURJSA-N 0 0 478.392 4.527 40 5 JJBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409011427 570099685 /nfs/dbraw/zinc/09/96/85/570099685.db2.gz NIVGEDKOLYVFGD-LPYMAVHISA-N 0 0 491.475 4.805 40 5 JJBBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O ZINC000409012478 570099929 /nfs/dbraw/zinc/09/99/29/570099929.db2.gz KHNAVYRBTNVWFE-QPNANDPSSA-N 0 0 493.541 4.894 40 5 JJBBRN O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000409026876 570104675 /nfs/dbraw/zinc/10/46/75/570104675.db2.gz CTXDWJMCGMFYRY-UHFFFAOYSA-N 0 0 480.329 4.736 40 5 JJBBRN O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000409029307 570105486 /nfs/dbraw/zinc/10/54/86/570105486.db2.gz YTWDBEVNLNMLLA-UHFFFAOYSA-N 0 0 480.329 4.736 40 5 JJBBRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1sc2c(c1C(=O)NC1CCCCC1)CCCC2 ZINC000409051809 570110214 /nfs/dbraw/zinc/11/02/14/570110214.db2.gz FDVVUIGSMHOPRA-UHFFFAOYSA-N 0 0 457.552 4.615 40 5 JJBBRN COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000409060919 570114197 /nfs/dbraw/zinc/11/41/97/570114197.db2.gz XAXFROQNSVGZHI-UNOMPAQXSA-N 0 0 497.916 4.656 40 5 JJBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O ZINC000409064058 570115700 /nfs/dbraw/zinc/11/57/00/570115700.db2.gz BJEPHPXAJULGKI-NGZBARDMSA-N 0 0 479.514 4.504 40 5 JJBBRN Cc1c(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000409098470 570127456 /nfs/dbraw/zinc/12/74/56/570127456.db2.gz QKRHHJQRRZOOEI-WSDLNYQXSA-N 0 0 493.541 4.894 40 5 JJBBRN Cc1cc(Br)cc(C)c1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C ZINC000409132836 570140852 /nfs/dbraw/zinc/14/08/52/570140852.db2.gz LEFVKYBHCILCAZ-UHFFFAOYSA-N 0 0 476.356 4.500 40 5 JJBBRN CCn1c(SCC(=O)Nc2c(C)cc(Br)cc2C)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409144974 570146336 /nfs/dbraw/zinc/14/63/36/570146336.db2.gz PRZILQBNRUVNDU-UHFFFAOYSA-N 0 0 490.383 4.983 40 5 JJBBRN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O)Nc1cccc(Cl)c1 ZINC000409153920 570150001 /nfs/dbraw/zinc/15/00/01/570150001.db2.gz JFVWBTYWNUANBQ-CHHVJCJISA-N 0 0 452.275 4.577 40 5 JJBBRN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O)Nc1ccc(Cl)cc1 ZINC000409159276 570151472 /nfs/dbraw/zinc/15/14/72/570151472.db2.gz VQTPXKIOCNXSSQ-NVNXTCNLSA-N 0 0 452.275 4.577 40 5 JJBBRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2CC)cc1 ZINC000409167380 570153640 /nfs/dbraw/zinc/15/36/40/570153640.db2.gz IPIGZFKKBHWKCA-MRXNPFEDSA-N 0 0 469.567 4.948 40 5 JJBBRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000409174044 570156030 /nfs/dbraw/zinc/15/60/30/570156030.db2.gz QORUYGXSYLHULO-UHFFFAOYSA-N 0 0 480.329 4.884 40 5 JJBBRN COc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccc(C)cc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000409180294 570158738 /nfs/dbraw/zinc/15/87/38/570158738.db2.gz WAPQHPAFXLQSAF-SANMLTNESA-N 0 0 476.485 4.798 40 5 JJBBRN O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000409181066 570159172 /nfs/dbraw/zinc/15/91/72/570159172.db2.gz VJMKNULZAVXRER-UHFFFAOYSA-N 0 0 494.308 4.774 40 5 JJBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3Cl)cc2)cc1 ZINC000409181738 570159485 /nfs/dbraw/zinc/15/94/85/570159485.db2.gz CZPUXMPEMFLDFW-UHFFFAOYSA-N 0 0 498.831 4.724 40 5 JJBBRN Cc1ccc(Cl)cc1N1C(=O)c2ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc2C1=O ZINC000409182673 570159969 /nfs/dbraw/zinc/15/99/69/570159969.db2.gz NAXBQYXUISMQSD-UHFFFAOYSA-N 0 0 450.834 4.714 40 5 JJBBRN 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COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)cc1 ZINC000409216610 570172804 /nfs/dbraw/zinc/17/28/04/570172804.db2.gz JVULQXBVJKKTSH-CIAFOILYSA-N 0 0 493.497 4.847 40 5 JJBBRN CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C)c(C)cc3[N+](=O)[O-])o2)C1=O ZINC000409218090 570173455 /nfs/dbraw/zinc/17/34/55/570173455.db2.gz SNYGQWHQUXWGGY-ODLFYWEKSA-N 0 0 458.492 4.851 40 5 JJBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C2=O)cc1 ZINC000409236424 570179877 /nfs/dbraw/zinc/17/98/77/570179877.db2.gz GAQUCMYGRPIZPM-MTJSOVHGSA-N 0 0 493.497 4.847 40 5 JJBBRN COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409250670 570185768 /nfs/dbraw/zinc/18/57/68/570185768.db2.gz NLFNHDSSTSXUJU-LPYMAVHISA-N 0 0 473.485 4.584 40 5 JJBBRN O=C(COc1ccc(Br)cc1CNc1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000408554920 570196574 /nfs/dbraw/zinc/19/65/74/570196574.db2.gz FDYOHNZQSFRHOB-UHFFFAOYSA-N 0 0 456.296 4.987 40 5 JJBBRN O=C(COc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1Br)Nc1ccccc1 ZINC000408556515 570197563 /nfs/dbraw/zinc/19/75/63/570197563.db2.gz JEKZOWZWXHOBEG-UHFFFAOYSA-N 0 0 456.296 4.987 40 5 JJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1Cl ZINC000408562932 570201990 /nfs/dbraw/zinc/20/19/90/570201990.db2.gz HBAOMYOQDPZZTI-UHFFFAOYSA-N 0 0 459.911 4.918 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000409325622 570202065 /nfs/dbraw/zinc/20/20/65/570202065.db2.gz YWZGFQYJEHSZCB-UHFFFAOYSA-N 0 0 493.463 4.756 40 5 JJBBRN CN1C[C@H](c2ccc(OCc3ccccc3F)c(Cl)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408566158 570203625 /nfs/dbraw/zinc/20/36/25/570203625.db2.gz NHLBAOJETZZZMU-HGMMTPDKSA-N 0 0 481.911 4.580 40 5 JJBBRN COc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1cccc(C)c1 ZINC000408568625 570204249 /nfs/dbraw/zinc/20/42/49/570204249.db2.gz ICXOUHHMBPYPNK-SFHVURJKSA-N 0 0 463.357 4.765 40 5 JJBBRN 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O=C(COC(=O)c1cc(-c2ccccc2)nc2ccc([N+](=O)[O-])cc21)c1ccc([N+](=O)[O-])cc1 ZINC000059417256 195399627 /nfs/dbraw/zinc/39/96/27/195399627.db2.gz ISZNCIOOWZLRIB-UHFFFAOYSA-N 0 0 457.398 4.758 40 5 JJBBRN COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409232622 195510332 /nfs/dbraw/zinc/51/03/32/195510332.db2.gz AMHNRAOZASDGRB-YBFXNURJSA-N 0 0 479.876 4.933 40 5 JJBBRN CCCCOC(=O)[C@H]1[C@@H](C(=O)OCCCC)ON(c2ccc(C=O)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000005665131 520720614 /nfs/dbraw/zinc/72/06/14/520720614.db2.gz IFILWLJINXDARU-SMIHKQSGSA-N 0 0 498.532 4.572 40 5 JJBBRN CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1cc(C)nc2ccc(OC)cc21 ZINC000006089697 520786927 /nfs/dbraw/zinc/78/69/27/520786927.db2.gz KZUANHYOMBVOQD-UHFFFAOYSA-N 0 0 471.535 4.988 40 5 JJBBRN CC1=NN(c2ccccc2)C(=O)[C@]12C(c1cccc([N+](=O)[O-])c1)[C@@]21C(C)=NN(c2ccccc2)C1=O ZINC000016607494 520896852 /nfs/dbraw/zinc/89/68/52/520896852.db2.gz LMWYGKCULRTENX-KAYWLYCHSA-N 0 0 479.496 4.510 40 5 JJBBRN 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COc1ccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2-c2ccc(OC)cc2)cc1 ZINC000006157208 523260106 /nfs/dbraw/zinc/26/01/06/523260106.db2.gz VDSCKLPLCSVVSQ-UHFFFAOYSA-N 0 0 491.529 4.591 40 5 JJBBRN COc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2C2CCCCC2)cc1 ZINC000006157247 523321431 /nfs/dbraw/zinc/32/14/31/523321431.db2.gz UPAAYGZCUPWHSP-UHFFFAOYSA-N 0 0 467.551 4.963 40 5 JJBBRN COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)n1Cc1ccco1 ZINC000013425373 524291478 /nfs/dbraw/zinc/29/14/78/524291478.db2.gz HECHVFQUHBWCSG-INIZCTEOSA-N 0 0 493.545 4.931 40 5 JJBBRN Cc1ccc(NC(=O)COC(=O)c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1Cl ZINC000020395370 525066256 /nfs/dbraw/zinc/06/62/56/525066256.db2.gz SUQUYIBVFCTZMS-UHFFFAOYSA-N 0 0 467.865 4.604 40 5 JJBBRN C[C@@H]1C[C@@H](N(C=O)c2ccccc2)c2ccccc2N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000013590353 525247431 /nfs/dbraw/zinc/24/74/31/525247431.db2.gz MJCNBFNMWQPNBC-WAIKUNEKSA-N 0 0 460.446 4.646 40 5 JJBBRN 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COc1ccc(NCc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1 ZINC000000868994 553807694 /nfs/dbraw/zinc/80/76/94/553807694.db2.gz MEBAHDJVNCOBOI-UHFFFAOYSA-N 0 0 490.545 4.527 40 5 JJBBRN O=C(Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000000869954 553808491 /nfs/dbraw/zinc/80/84/91/553808491.db2.gz QGRYATVNKHJKLU-UHFFFAOYSA-N 0 0 464.894 4.731 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1 ZINC000000872688 553810479 /nfs/dbraw/zinc/81/04/79/553810479.db2.gz GFYZDIBCZJZWCC-UHFFFAOYSA-N 0 0 480.937 4.930 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1Cc1ccccc1 ZINC000000877909 553813965 /nfs/dbraw/zinc/81/39/65/553813965.db2.gz IPFIRDHVLBPMGW-KRWDZBQOSA-N 0 0 474.546 4.724 40 5 JJBBRN Cc1ccc(C)c(C(=O)COC(=O)c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000002753120 554327191 /nfs/dbraw/zinc/32/71/91/554327191.db2.gz LIRQZSWZILYEAG-UHFFFAOYSA-N 0 0 450.403 4.952 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2O)n1-c1ccc(C)cc1 ZINC000006280132 554524247 /nfs/dbraw/zinc/52/42/47/554524247.db2.gz FYESHARBZVUMHV-UHFFFAOYSA-N 0 0 491.529 4.596 40 5 JJBBRN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nnc2-c2ccccc2O)cc1 ZINC000006280189 554524520 /nfs/dbraw/zinc/52/45/20/554524520.db2.gz PWOFSCXXAOYXTC-UHFFFAOYSA-N 0 0 461.503 4.587 40 5 JJBBRN CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006878525 554560076 /nfs/dbraw/zinc/56/00/76/554560076.db2.gz UWLQQNDIWIQCCE-ZDUSSCGKSA-N 0 0 460.947 4.591 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccccc1 ZINC000006906667 554561740 /nfs/dbraw/zinc/56/17/40/554561740.db2.gz ZRCSODXCZOGZGP-UHFFFAOYSA-N 0 0 475.530 4.641 40 5 JJBBRN COc1ccc(OC)c(NC(=O)COc2ccc3c(c2)c2ccnc4c2n3c(=O)c2ccccc24)c1 ZINC000008792175 554685382 /nfs/dbraw/zinc/68/53/82/554685382.db2.gz CKJLLZQTZPCUNM-UHFFFAOYSA-N 0 0 479.492 4.627 40 5 biogenic JJBBRN Cc1c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)cccc1[N+](=O)[O-] ZINC000008810145 554689438 /nfs/dbraw/zinc/68/94/38/554689438.db2.gz LIGUXMZVVATEKL-UHFFFAOYSA-N 0 0 463.874 4.749 40 5 JJBBRN CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000008831413 554722293 /nfs/dbraw/zinc/72/22/93/554722293.db2.gz JLAVUFBGPNSINN-UHFFFAOYSA-N 0 0 452.492 4.576 40 5 JJBBRN Cc1c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cccc1-c1nc2ccccc2o1 ZINC000008831996 554724840 /nfs/dbraw/zinc/72/48/40/554724840.db2.gz PJMNJWPOFWMXFP-UHFFFAOYSA-N 0 0 458.474 4.800 40 5 JJBBRN CCc1cc(I)ccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000008832285 554726135 /nfs/dbraw/zinc/72/61/35/554726135.db2.gz DKQUBBXOJCRQFX-UHFFFAOYSA-N 0 0 465.291 4.614 40 5 JJBBRN O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008833029 554729458 /nfs/dbraw/zinc/72/94/58/554729458.db2.gz HHYHFVUTQWBISX-UHFFFAOYSA-N 0 0 489.768 4.518 40 5 JJBBRN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000008833359 554730962 /nfs/dbraw/zinc/73/09/62/554730962.db2.gz UVJYIDZNOCEITO-UHFFFAOYSA-N 0 0 486.557 4.865 40 5 JJBBRN O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000008835410 554734358 /nfs/dbraw/zinc/73/43/58/554734358.db2.gz STZIONTYBIIOKK-UHFFFAOYSA-N 0 0 475.983 4.975 40 5 JJBBRN CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000008901677 554795290 /nfs/dbraw/zinc/79/52/90/554795290.db2.gz DVKVPKQPYRWWTR-UHFFFAOYSA-N 0 0 499.999 4.549 40 5 JJBBRN O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000008902092 554795833 /nfs/dbraw/zinc/79/58/33/554795833.db2.gz XHHVUAKISYLTCN-UHFFFAOYSA-N 0 0 489.315 4.709 40 5 JJBBRN Cc1sc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n(-c3ccccc3)c(=O)c2c1C ZINC000009010511 554863837 /nfs/dbraw/zinc/86/38/37/554863837.db2.gz MTYFPGJQJGKJAX-UHFFFAOYSA-N 0 0 466.544 4.703 40 5 JJBBRN O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000009064665 554883034 /nfs/dbraw/zinc/88/30/34/554883034.db2.gz UIHZHVNFKAQSEE-UHFFFAOYSA-N 0 0 452.458 4.731 40 5 JJBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000009303150 555076100 /nfs/dbraw/zinc/07/61/00/555076100.db2.gz XHJPICMRXHBYBX-HBMCJLEFSA-N 0 0 484.295 4.953 40 5 JJBBRN CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)c([N+](=O)[O-])c1 ZINC000013301434 555372736 /nfs/dbraw/zinc/37/27/36/555372736.db2.gz WBPUKBFHWJFTNO-AYIBLLACSA-N 0 0 454.482 4.564 40 5 JJBBRN Cc1c(Cl)cccc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccccc1 ZINC000019856095 555513909 /nfs/dbraw/zinc/51/39/09/555513909.db2.gz GPKPQTQGKBOBOX-UHFFFAOYSA-N 0 0 473.938 4.699 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 ZINC000019856523 555515985 /nfs/dbraw/zinc/51/59/85/555515985.db2.gz RTHLINBMQQFKME-UHFFFAOYSA-N 0 0 473.938 4.699 40 5 JJBBRN C[C@@H]1C[C@H](N(C=O)c2ccccc2)c2ccccc2N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000013590355 555524766 /nfs/dbraw/zinc/52/47/66/555524766.db2.gz MJCNBFNMWQPNBC-MWTRTKDXSA-N 0 0 460.446 4.646 40 5 JJBBRN C[C@H]1C[C@@H](N(C=O)c2ccccc2)c2ccccc2N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000013590354 555524897 /nfs/dbraw/zinc/52/48/97/555524897.db2.gz MJCNBFNMWQPNBC-QMHKHESXSA-N 0 0 460.446 4.646 40 5 JJBBRN Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccco4)c3)CC2)cc1Cl ZINC000013632896 555542869 /nfs/dbraw/zinc/54/28/69/555542869.db2.gz CBJPULNDNDUJFY-UHFFFAOYSA-N 0 0 454.914 4.724 40 5 JJBBRN COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000019929137 555545363 /nfs/dbraw/zinc/54/53/63/555545363.db2.gz GZNZNONLLCTHRF-UHFFFAOYSA-N 0 0 455.279 4.691 40 5 JJBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1ccc(Cl)cc1Cl ZINC000009848715 555550880 /nfs/dbraw/zinc/55/08/80/555550880.db2.gz UAUAQCLVTDZEIT-UHFFFAOYSA-N 0 0 482.349 4.919 40 5 JJBBRN CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000010010469 555592694 /nfs/dbraw/zinc/59/26/94/555592694.db2.gz IJMLKTDFGTUGML-ZRDIBKRKSA-N 0 0 494.935 4.829 40 5 JJBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)C(C)(C)Oc3ccc(Br)cc3)nc21 ZINC000010010657 555593102 /nfs/dbraw/zinc/59/31/02/555593102.db2.gz HLJLBIOGGLBLRZ-UHFFFAOYSA-N 0 0 466.313 4.772 40 5 JJBBRN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4cc([N+](=O)[O-])ccc4Cl)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000013805018 555622853 /nfs/dbraw/zinc/62/28/53/555622853.db2.gz XFPFRSWGFYOUEZ-FSSWDIPSSA-N 0 0 463.877 4.608 40 5 JJBBRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000020060915 555623728 /nfs/dbraw/zinc/62/37/28/555623728.db2.gz SFGJVARESSUIOG-UHFFFAOYSA-N 0 0 490.881 4.518 40 5 JJBBRN CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000013811063 555626957 /nfs/dbraw/zinc/62/69/57/555626957.db2.gz BFURDYFRTOVTEE-VJBWXMMDSA-N 0 0 493.903 4.698 40 5 JJBBRN CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000013841909 555631533 /nfs/dbraw/zinc/63/15/33/555631533.db2.gz KCRTXROZJPDRBD-UHFFFAOYSA-N 0 0 482.349 4.823 40 5 JJBBRN CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1[C@H](C)Oc1ccccc1Cl ZINC000013870865 555637339 /nfs/dbraw/zinc/63/73/39/555637339.db2.gz IFHXSYDQZZRHOK-ZDUSSCGKSA-N 0 0 461.931 4.730 40 5 JJBBRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)cc1 ZINC000013871354 555637657 /nfs/dbraw/zinc/63/76/57/555637657.db2.gz PQYKIABQSUAQBD-ZDUSSCGKSA-N 0 0 475.958 4.810 40 5 JJBBRN CC(C)C[C@@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000020108766 555643914 /nfs/dbraw/zinc/64/39/14/555643914.db2.gz HVQWJRYTTIKDEH-XMMPIXPASA-N 0 0 481.574 4.694 40 5 JJBBRN COc1ccc(-c2ccc(C(=O)Nc3ccc(-c4ccc(CO)o4)c(OC)c3)o2)c([N+](=O)[O-])c1 ZINC000020140697 555663244 /nfs/dbraw/zinc/66/32/44/555663244.db2.gz VQOUGIPFXDELLF-UHFFFAOYSA-N 0 0 464.430 4.877 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000010335155 555690149 /nfs/dbraw/zinc/69/01/49/555690149.db2.gz NDXRXDXPSWQXJM-UHFFFAOYSA-N 0 0 473.938 4.775 40 5 JJBBRN Cc1cccc(N(Cc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)S(C)(=O)=O)c1 ZINC000010357731 555695937 /nfs/dbraw/zinc/69/59/37/555695937.db2.gz RFUUEFKVHCIIHT-UHFFFAOYSA-N 0 0 473.938 4.775 40 5 JJBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1Cc1cccc2ccccc21 ZINC000014132512 555699953 /nfs/dbraw/zinc/69/99/53/555699953.db2.gz UONWHTQFKOASIL-HAHDFKILSA-N 0 0 475.526 4.821 40 5 JJBBRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2C)c1 ZINC000014154019 555710741 /nfs/dbraw/zinc/71/07/41/555710741.db2.gz FPJOHDAVHRCEHI-UHFFFAOYSA-N 0 0 453.520 4.882 40 5 JJBBRN CCc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000014155543 555714076 /nfs/dbraw/zinc/71/40/76/555714076.db2.gz QGIIPLNOBJSAMG-UHFFFAOYSA-N 0 0 467.547 4.608 40 5 JJBBRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)cc3O)oc2c1 ZINC000014270157 555761619 /nfs/dbraw/zinc/76/16/19/555761619.db2.gz YTTWWFKWTCKRBC-UHFFFAOYSA-N 0 0 462.487 4.852 40 5 JJBBRN Cc1c(C(=O)NC(=S)NCc2ccc(-c3nc4ccccc4s3)cc2)cccc1[N+](=O)[O-] ZINC000014270507 555762790 /nfs/dbraw/zinc/76/27/90/555762790.db2.gz FGOQKHYNYSVURU-UHFFFAOYSA-N 0 0 462.556 4.984 40 5 JJBBRN COc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nc2c1 ZINC000014270732 555763598 /nfs/dbraw/zinc/76/35/98/555763598.db2.gz SYOCKRPKNGMTIV-UHFFFAOYSA-N 0 0 462.487 4.847 40 5 JJBBRN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014272302 555769421 /nfs/dbraw/zinc/76/94/21/555769421.db2.gz XRKQZDLMTMAISX-UHFFFAOYSA-N 0 0 458.474 4.800 40 5 JJBBRN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014275395 555780634 /nfs/dbraw/zinc/78/06/34/555780634.db2.gz MFRJIMODCFXJHC-UHFFFAOYSA-N 0 0 486.557 4.865 40 5 JJBBRN O=C(NC(=S)Nc1ccc(Cc2ccncc2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000014276356 555783420 /nfs/dbraw/zinc/78/34/20/555783420.db2.gz WUFAMDNSSIYSOZ-UHFFFAOYSA-N 0 0 475.574 4.698 40 5 JJBBRN COc1ccc(NC(=O)/C=C/c2cc(Br)cc(Br)c2OC)cc1[N+](=O)[O-] ZINC000014278639 555789127 /nfs/dbraw/zinc/78/91/27/555789127.db2.gz KYOOZBVEIJNZOS-ZZXKWVIFSA-N 0 0 486.116 4.789 40 5 JJBBRN O=C(/C=C/c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 ZINC000020528399 555792391 /nfs/dbraw/zinc/79/23/91/555792391.db2.gz AZKZLTFYNSQIFO-AWNIVKPZSA-N 0 0 490.947 4.863 40 5 JJBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 ZINC000020528648 555792974 /nfs/dbraw/zinc/79/29/74/555792974.db2.gz CIWSRRLGXJAJAK-KAVGSWPWSA-N 0 0 482.540 4.609 40 5 JJBBRN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000020528879 555793540 /nfs/dbraw/zinc/79/35/40/555793540.db2.gz VRRDGQMMMMOJSI-UHFFFAOYSA-N 0 0 458.946 4.504 40 5 JJBBRN CCCCc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000014411580 555810584 /nfs/dbraw/zinc/81/05/84/555810584.db2.gz PXYLYWXKTBYGBA-UHFFFAOYSA-N 0 0 467.547 4.771 40 5 JJBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000014411772 555810865 /nfs/dbraw/zinc/81/08/65/555810865.db2.gz VPXRXRDXKZVREM-UHFFFAOYSA-N 0 0 480.329 4.736 40 5 JJBBRN Cc1cc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)CC(C)C)ccc1[N+](=O)[O-] ZINC000022257369 555904995 /nfs/dbraw/zinc/90/49/95/555904995.db2.gz DPCJKESTMYGRFW-UHFFFAOYSA-N 0 0 458.902 4.670 40 5 JJBBRN Cc1cc(OCC(=O)N(Cc2nc(-c3cccs3)no2)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000022257582 555905299 /nfs/dbraw/zinc/90/52/99/555905299.db2.gz ANLVQRUCBFHALF-UHFFFAOYSA-N 0 0 456.524 4.755 40 5 JJBBRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000015422503 555908046 /nfs/dbraw/zinc/90/80/46/555908046.db2.gz IZAITOQXKNRPQZ-UHFFFAOYSA-N 0 0 466.302 4.955 40 5 JJBBRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1-c1cc2ccccc2oc1=O ZINC000022742887 555949802 /nfs/dbraw/zinc/94/98/02/555949802.db2.gz NCEJSAZOOGGAAF-UHFFFAOYSA-N 0 0 485.496 4.766 40 5 JJBBRN CCOc1cc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc(OCC)c1OCC ZINC000022748705 555952035 /nfs/dbraw/zinc/95/20/35/555952035.db2.gz GIDACMPTSVAVMD-UHFFFAOYSA-N 0 0 490.563 4.527 40 5 JJBBRN Cc1cc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc(C)c1Cl ZINC000016269397 556131972 /nfs/dbraw/zinc/13/19/72/556131972.db2.gz RTAANXUAKVCKEP-UHFFFAOYSA-N 0 0 471.863 4.611 40 5 JJBBRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000016637148 556149005 /nfs/dbraw/zinc/14/90/05/556149005.db2.gz CLVCNCLDROPQSV-UHFFFAOYSA-N 0 0 455.323 4.767 40 5 JJBBRN Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000018045206 556279880 /nfs/dbraw/zinc/27/98/80/556279880.db2.gz VGZLNELXZVIVMT-FSSWDIPSSA-N 0 0 463.877 4.608 40 5 JJBBRN Cc1c(NC(=O)COC(=O)CC23C[C@H]4C[C@H](CC(Br)(C4)C2)C3)cccc1[N+](=O)[O-] ZINC000018258151 556317148 /nfs/dbraw/zinc/31/71/48/556317148.db2.gz BEACCJJNGLURAJ-XFKLWTPLSA-N 0 0 465.344 4.509 40 5 JJBBRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)COc4ccccc4[N+](=O)[O-])ccc3o2)cc1C ZINC000032116464 556423634 /nfs/dbraw/zinc/42/36/34/556423634.db2.gz CCBOGGFHASVQLH-UHFFFAOYSA-N 0 0 476.514 4.912 40 5 JJBBRN O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Br ZINC000032124681 556427744 /nfs/dbraw/zinc/42/77/44/556427744.db2.gz RBQSWNHUWOGRCZ-YVLHZVERSA-N 0 0 495.376 4.678 40 5 JJBBRN Cc1nnc2sc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nn12 ZINC000057314052 569596855 /nfs/dbraw/zinc/59/68/55/569596855.db2.gz PXLMHDXIGIYEOX-ZRDIBKRKSA-N 0 0 472.486 4.981 40 5 JJBBRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 ZINC000057317136 569598371 /nfs/dbraw/zinc/59/83/71/569598371.db2.gz LGKAISNZVRJMSD-ONNFQVAWSA-N 0 0 470.957 4.595 40 5 JJBBRN Cc1ccc(-c2ccc(C(=O)NC(=S)N3CCN(c4ccc([N+](=O)[O-])cc4Cl)CC3)o2)cc1C ZINC000033468795 569626674 /nfs/dbraw/zinc/62/66/74/569626674.db2.gz QVVPSSLFBNAOLI-UHFFFAOYSA-N 0 0 498.992 4.962 40 5 JJBBRN C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C ZINC000035351683 569681768 /nfs/dbraw/zinc/68/17/68/569681768.db2.gz WUZZRINDAXLSIP-NSHDSACASA-N 0 0 466.350 4.813 40 5 JJBBRN CCN1CCN(c2cc(NC(=O)c3ccc(Cl)c(Cl)c3)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229376 569700643 /nfs/dbraw/zinc/70/06/43/569700643.db2.gz SYEDFSMIBYTNEO-UHFFFAOYSA-N 0 0 457.745 4.949 40 5 JJBBRN O=C1CCc2ccc(OCCCCN3CC[N+]([O-])(c4cccc(Cl)c4Cl)CC3)cc2N1 ZINC000077271750 569705340 /nfs/dbraw/zinc/70/53/40/569705340.db2.gz FDTVYHFBHZGERN-UHFFFAOYSA-N 0 0 464.393 4.858 40 5 in-vitro JJBBRN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN21 ZINC000035851740 569716564 /nfs/dbraw/zinc/71/65/64/569716564.db2.gz CIEPJQVBYARERO-ANNHOSHMSA-N 0 0 485.565 4.722 40 5 JJBBRN Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101157391 569784832 /nfs/dbraw/zinc/78/48/32/569784832.db2.gz VGZLNELXZVIVMT-FKBYEOEOSA-N 0 0 463.877 4.608 40 5 JJBBRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)cc1 ZINC000101205769 569787104 /nfs/dbraw/zinc/78/71/04/569787104.db2.gz XFPFRSWGFYOUEZ-FKBYEOEOSA-N 0 0 463.877 4.608 40 5 JJBBRN O=C1CCc2ccc(OCCCC[N+]3([O-])CC[N+]([O-])(c4cccc(Cl)c4Cl)CC3)cc2N1 ZINC000038390494 569801375 /nfs/dbraw/zinc/80/13/75/569801375.db2.gz QMMBGUILKWQHOA-UHFFFAOYSA-N 0 0 480.392 4.871 40 5 in-vitro JJBBRN Cc1ccc(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)cc2)s1 ZINC000039753411 569811381 /nfs/dbraw/zinc/81/13/81/569811381.db2.gz JICXCZMMIWUOKZ-UHFFFAOYSA-N 0 0 465.516 4.988 40 5 JJBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000039757704 569811504 /nfs/dbraw/zinc/81/15/04/569811504.db2.gz SYYUABIKAHTEFH-UHFFFAOYSA-N 0 0 463.837 4.803 40 5 JJBBRN O=C(/C=C/c1ccccc1)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000039766839 569811782 /nfs/dbraw/zinc/81/17/82/569811782.db2.gz FQEWREVACAGNRD-NTEUORMPSA-N 0 0 455.430 4.549 40 5 JJBBRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000102711923 569817064 /nfs/dbraw/zinc/81/70/64/569817064.db2.gz CFLOBRJPPPOLTK-SDHOMARFSA-N 0 0 465.465 4.799 40 5 JJBBRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102733489 569818471 /nfs/dbraw/zinc/81/84/71/569818471.db2.gz BNRPMTUMQDZPAK-ACRUOGEOSA-N 0 0 484.295 4.953 40 5 JJBBRN O=C1[C@@H]2[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)N(c3ccccc3)O[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102768095 569823213 /nfs/dbraw/zinc/82/32/13/569823213.db2.gz FDQDELDTXWZPNF-HKBOAZHASA-N 0 0 484.295 4.953 40 5 JJBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000106718169 569855080 /nfs/dbraw/zinc/85/50/80/569855080.db2.gz LFMRLZBWCHGQRH-ODLFYWEKSA-N 0 0 494.356 4.975 40 5 JJBBRN O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000106727405 569855236 /nfs/dbraw/zinc/85/52/36/569855236.db2.gz HRVNRADTWYBMKB-ODLFYWEKSA-N 0 0 478.442 4.927 40 5 JJBBRN C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 ZINC000138838418 569866477 /nfs/dbraw/zinc/86/64/77/569866477.db2.gz NJKUOSYMBRZZAF-UPRAQXHNSA-N 0 0 490.343 4.880 40 5 JJBBRN O=C(CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000138922300 569866662 /nfs/dbraw/zinc/86/66/62/569866662.db2.gz OCTZUKXUPKAXNP-UHFFFAOYSA-N 0 0 497.891 4.941 40 5 JJBBRN O=C(CSc1nnc(-c2ccc(Br)cc2)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000195533122 569873570 /nfs/dbraw/zinc/87/35/70/569873570.db2.gz LHPQGWKPHHYYHO-UHFFFAOYSA-N 0 0 469.704 4.792 40 5 JJBBRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)c(Cl)c2)cc1 ZINC000216384950 569878643 /nfs/dbraw/zinc/87/86/43/569878643.db2.gz JPWYNZFJLPLLIQ-UHFFFAOYSA-N 0 0 459.911 4.918 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222566099 569885928 /nfs/dbraw/zinc/88/59/28/569885928.db2.gz AGTYTJNLJDVIRE-AUSIDOKSSA-N 0 0 471.623 4.593 40 5 JJBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222708147 569889246 /nfs/dbraw/zinc/88/92/46/569889246.db2.gz JQIMYYQLHRLSFC-IBGZPJMESA-N 0 0 466.365 4.776 40 5 JJBBRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222755973 569890405 /nfs/dbraw/zinc/89/04/05/569890405.db2.gz RHBYOOZXIQEJDD-SANMLTNESA-N 0 0 491.563 4.689 40 5 JJBBRN CC[C@H](NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223120996 569900045 /nfs/dbraw/zinc/90/00/45/569900045.db2.gz QKQVUPYWSIHVFT-QHCPKHFHSA-N 0 0 487.622 4.596 40 5 JJBBRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223242410 569904724 /nfs/dbraw/zinc/90/47/24/569904724.db2.gz SSVOVBVRDWNCTE-LJQANCHMSA-N 0 0 484.405 4.688 40 5 JJBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 ZINC000223397188 569909829 /nfs/dbraw/zinc/90/98/29/569909829.db2.gz YAAFOXMJLCKLOV-BJKOFHAPSA-N 0 0 455.543 4.953 40 5 JJBBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000223434236 569911301 /nfs/dbraw/zinc/91/13/01/569911301.db2.gz RWAYNISNVFBLRZ-DQEYMECFSA-N 0 0 485.569 4.962 40 5 JJBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)o1 ZINC000223475101 569912538 /nfs/dbraw/zinc/91/25/38/569912538.db2.gz PVRZUSYXVIJNFV-XZOQPEGZSA-N 0 0 457.515 4.818 40 5 JJBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)o1 ZINC000223512425 569914093 /nfs/dbraw/zinc/91/40/93/569914093.db2.gz DCPUYYXTJLDDLA-XZOQPEGZSA-N 0 0 457.515 4.818 40 5 JJBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223563710 569916224 /nfs/dbraw/zinc/91/62/24/569916224.db2.gz CLSIITXIHOLXHI-QFIPXVFZSA-N 0 0 457.596 4.552 40 5 JJBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 ZINC000223870526 569925712 /nfs/dbraw/zinc/92/57/12/569925712.db2.gz QOIPXDWESCUUKX-PKTZIBPZSA-N 0 0 457.515 4.663 40 5 JJBBRN CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224034045 569931348 /nfs/dbraw/zinc/93/13/48/569931348.db2.gz UQQLDZHCSZDUIJ-QHCPKHFHSA-N 0 0 471.623 4.594 40 5 JJBBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000224578211 569949267 /nfs/dbraw/zinc/94/92/67/569949267.db2.gz WNBQHOSZQZPBHW-ZEQRLZLVSA-N 0 0 471.542 4.966 40 5 JJBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224644257 569952033 /nfs/dbraw/zinc/95/20/33/569952033.db2.gz SFBAEVYYGWWPQC-QGZVFWFLSA-N 0 0 490.025 4.958 40 5 JJBBRN COc1ccc(OCc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1 ZINC000408596109 569966582 /nfs/dbraw/zinc/96/65/82/569966582.db2.gz POBMTTXRHKYOIA-UHFFFAOYSA-N 0 0 476.514 4.738 40 5 JJBBRN Cc1noc(/C=C/c2ccc(OCC(=O)Nc3ccc(N4CCOCC4)c(Cl)c3)cc2)c1[N+](=O)[O-] ZINC000408603234 569969949 /nfs/dbraw/zinc/96/99/49/569969949.db2.gz FGKYLTZOMATFBP-RUDMXATFSA-N 0 0 498.923 4.569 40 5 JJBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225125046 569976481 /nfs/dbraw/zinc/97/64/81/569976481.db2.gz NEUIGRUYROYXRD-QHCPKHFHSA-N 0 0 497.592 4.547 40 5 JJBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(Cl)c1Cl)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 ZINC000408623621 569979360 /nfs/dbraw/zinc/97/93/60/569979360.db2.gz RIVPLFWAMZGSRH-PGPPMQCXSA-N 0 0 465.292 4.778 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3C)cc2)CC1=O ZINC000408642904 569989961 /nfs/dbraw/zinc/98/99/61/569989961.db2.gz PRIIUXXOFDHLDE-KRWDZBQOSA-N 0 0 461.474 4.696 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225460041 569997695 /nfs/dbraw/zinc/99/76/95/569997695.db2.gz RVMKGBHLGOBROV-XMSQKQJNSA-N 0 0 457.596 4.550 40 5 JJBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225495137 569999845 /nfs/dbraw/zinc/99/98/45/569999845.db2.gz PZRJMERRXBVPGR-CVDCTZTESA-N 0 0 471.623 4.859 40 5 JJBBRN COc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c3ccccc3n2)cc1 ZINC000408664628 570003347 /nfs/dbraw/zinc/00/33/47/570003347.db2.gz CSFDRDGJARAZMF-UHFFFAOYSA-N 0 0 471.469 4.923 40 5 JJBBRN COc1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(OC)ccc3[N+](=O)[O-])c3ccccc3n2)cc1 ZINC000408667041 570005047 /nfs/dbraw/zinc/00/50/47/570005047.db2.gz IWJWGHWCBWJFIF-UHFFFAOYSA-N 0 0 487.468 4.623 40 5 JJBBRN Cc1ccc(C(=O)[C@@H](CC(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408684188 570013435 /nfs/dbraw/zinc/01/34/35/570013435.db2.gz MYWPVAZSTVETLH-HSZRJFAPSA-N 0 0 451.500 4.510 40 5 JJBBRN O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000408685353 570013761 /nfs/dbraw/zinc/01/37/61/570013761.db2.gz PDXVXXHNDDJVKM-HZPDHXFCSA-N 0 0 476.316 4.634 40 5 JJBBRN C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 ZINC000408685358 570013794 /nfs/dbraw/zinc/01/37/94/570013794.db2.gz PDYWVDGNOIOIMK-QBIMZIAESA-N 0 0 490.343 4.880 40 5 JJBBRN C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 ZINC000408685356 570013806 /nfs/dbraw/zinc/01/38/06/570013806.db2.gz PDYWVDGNOIOIMK-MZMPZRCHSA-N 0 0 490.343 4.880 40 5 JJBBRN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc(Cl)cc2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408690155 570015101 /nfs/dbraw/zinc/01/51/01/570015101.db2.gz ZURNMGGTEOAPGF-JOCHJYFZSA-N 0 0 471.918 4.855 40 5 JJBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000408703267 570023145 /nfs/dbraw/zinc/02/31/45/570023145.db2.gz QJBDAFPEMZZZKD-UHFFFAOYSA-N 0 0 472.350 4.719 40 5 JJBBRN CCOc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000408845120 570054303 /nfs/dbraw/zinc/05/43/03/570054303.db2.gz OPTYLWKRBSWKRN-KGENOOAVSA-N 0 0 472.453 4.866 40 5 JJBBRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000408907788 570071277 /nfs/dbraw/zinc/07/12/77/570071277.db2.gz RWNHDZGIOOVSFK-VGOFMYFVSA-N 0 0 451.504 4.664 40 5 JJBBRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)c([N+](=O)[O-])c1 ZINC000408918448 570076142 /nfs/dbraw/zinc/07/61/42/570076142.db2.gz KPHHIAUFPCIMJZ-NFJKTXFASA-N 0 0 489.325 4.806 40 5 JJBBRN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)c([N+](=O)[O-])c1 ZINC000408918449 570076193 /nfs/dbraw/zinc/07/61/93/570076193.db2.gz KPHHIAUFPCIMJZ-YCIYHOANSA-N 0 0 489.325 4.806 40 5 JJBBRN Cc1c(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000408922504 570077651 /nfs/dbraw/zinc/07/76/51/570077651.db2.gz BKOLEAXFZZTPAW-HAVVHWLPSA-N 0 0 454.486 4.572 40 5 JJBBRN CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2[C@@H]2OCCCN2Cc2ccccc2)C1 ZINC000253564581 570103746 /nfs/dbraw/zinc/10/37/46/570103746.db2.gz GRIMKADDUJTWRC-CUNXSJBXSA-N 0 0 480.609 4.601 40 5 JJBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O ZINC000409072731 570118909 /nfs/dbraw/zinc/11/89/09/570118909.db2.gz KUXQGGXNUHVLEZ-PDMWYYABSA-N 0 0 471.274 4.759 40 5 JJBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000409107248 570130656 /nfs/dbraw/zinc/13/06/56/570130656.db2.gz RKHJPYZWRLIWOV-FYJGNVAPSA-N 0 0 493.497 4.929 40 5 JJBBRN CCn1c(SCC(=O)Nc2cc(C)c(C)cc2Br)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409124585 570137398 /nfs/dbraw/zinc/13/73/98/570137398.db2.gz KZGJGETYCXWNEZ-UHFFFAOYSA-N 0 0 490.383 4.983 40 5 JJBBRN CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409138341 570143313 /nfs/dbraw/zinc/14/33/13/570143313.db2.gz AFVZZGCKPJNVLU-UHFFFAOYSA-N 0 0 452.323 4.911 40 5 JJBBRN COc1ccc(N(CC(=O)Nc2ccccc2C(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000409139079 570143745 /nfs/dbraw/zinc/14/37/45/570143745.db2.gz MCECYHZTOPNOCY-UHFFFAOYSA-N 0 0 497.573 4.869 40 5 JJBBRN 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CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000008831474 194483565 /nfs/dbraw/zinc/48/35/65/194483565.db2.gz FPSRSPJFMZTSAE-UHFFFAOYSA-N 0 0 452.492 4.576 40 5 JJBBRN COc1ccc(-c2ccc(C(=O)Nc3ccc(CSc4nc[nH]n4)cc3)o2)c([N+](=O)[O-])c1 ZINC000020611345 195185097 /nfs/dbraw/zinc/18/50/97/195185097.db2.gz NNXCYGMHYYTILZ-UHFFFAOYSA-N 0 0 451.464 4.526 40 5 JJBBRN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000020970314 195257782 /nfs/dbraw/zinc/25/77/82/195257782.db2.gz IAADNGBGOUXMII-QHCPKHFHSA-N 0 0 455.474 4.881 40 5 JJBBRN CCOC(=O)C1C(c2ccc(OC)cc2)=Nc2nc3ccccc3n2[C@H]1c1ccccc1[N+](=O)[O-] ZINC000021005656 195265965 /nfs/dbraw/zinc/26/59/65/195265965.db2.gz SKMVXDQRUFTVMJ-DEOSSOPVSA-N 0 0 470.485 4.942 40 5 JJBBRN CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000021578219 195316136 /nfs/dbraw/zinc/31/61/36/195316136.db2.gz VUEJLCFQRMRORB-UHFFFAOYSA-N 0 0 465.337 4.603 40 5 JJBBRN 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O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1Cl)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000059503338 195408376 /nfs/dbraw/zinc/40/83/76/195408376.db2.gz NCCQVXXQHDZUMO-ISQHLFTMSA-N 0 0 465.292 4.778 40 5 JJBBRN CC1(C)C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@](C)(NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000026780127 520551735 /nfs/dbraw/zinc/55/17/35/520551735.db2.gz NYUBSMQXGONDTH-GAJHUEQPSA-N 0 0 484.513 4.784 40 5 JJBBRN CCOc1cc(/C=C2/N=C(c3cccc(F)c3)OC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002910568 520621741 /nfs/dbraw/zinc/62/17/41/520621741.db2.gz TWSPRKKOHCESJU-RGVLZGJSSA-N 0 0 476.416 4.696 40 5 JJBBRN CC1=NN(c2ccccc2)C(=O)[C@@]12C(c1cccc([N+](=O)[O-])c1)[C@@]21C(C)=NN(c2ccccc2)C1=O ZINC000016607499 520896449 /nfs/dbraw/zinc/89/64/49/520896449.db2.gz LMWYGKCULRTENX-NVCFSDIOSA-N 0 0 479.496 4.510 40 5 JJBBRN CC1=NN(c2ccccc2)C(=O)[C@]12C(c1ccccc1[N+](=O)[O-])[C@@]21C(C)=NN(c2ccccc2)C1=O ZINC000016607517 520897818 /nfs/dbraw/zinc/89/78/18/520897818.db2.gz VITOVSAHCTYVSZ-KAYWLYCHSA-N 0 0 479.496 4.510 40 5 JJBBRN CC1=NN(c2ccccc2)C(=O)[C@@]12C(c1ccc([N+](=O)[O-])cc1)[C@@]21C(C)=NN(c2ccccc2)C1=O ZINC000016607475 520898016 /nfs/dbraw/zinc/89/80/16/520898016.db2.gz YTKVKPSZZLYYEO-NVCFSDIOSA-N 0 0 479.496 4.510 40 5 JJBBRN CCN1CCN(c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1 ZINC000016681539 521699478 /nfs/dbraw/zinc/69/94/78/521699478.db2.gz CJOSSIQBSKBMKA-UHFFFAOYSA-N 0 0 454.914 4.902 40 5 JJBBRN COc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)cc1[N+](=O)[O-] ZINC000022714367 523681987 /nfs/dbraw/zinc/68/19/87/523681987.db2.gz SYENHCBUMWONDV-UHFFFAOYSA-N 0 0 478.486 4.552 40 5 JJBBRN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)c([N+](=O)[O-])c1 ZINC000033661032 524290263 /nfs/dbraw/zinc/29/02/63/524290263.db2.gz JFYYQSBFVZAYQA-UHFFFAOYSA-N 0 0 463.313 4.755 40 5 JJBBRN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=S)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 ZINC000032111865 525828324 /nfs/dbraw/zinc/82/83/24/525828324.db2.gz FDZZRNICGBCYPK-CSKARUKUSA-N 0 0 459.487 4.633 40 5 JJBBRN O=C(Cn1nc(COc2ccccc2)n(Cc2ccccc2)c1=S)c1cccc([N+](=O)[O-])c1 ZINC000016769061 527415879 /nfs/dbraw/zinc/41/58/79/527415879.db2.gz LWIGJJZDPFTBMC-UHFFFAOYSA-N 0 0 460.515 4.832 40 5 JJBBRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000001912588 527500630 /nfs/dbraw/zinc/50/06/30/527500630.db2.gz QXXAXQGDKDMGFM-JOCHJYFZSA-N 0 0 498.520 4.564 40 5 JJBBRN O=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ncc(Br)cn2)c(Cl)c1 ZINC000000596733 553711030 /nfs/dbraw/zinc/71/10/30/553711030.db2.gz WKXWMGOTZJGIIK-UHFFFAOYSA-N 0 0 492.673 4.555 40 5 JJBBRN COc1ccccc1-c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1-c1ccccc1 ZINC000000793571 553782142 /nfs/dbraw/zinc/78/21/42/553782142.db2.gz LWWAGCRRLBSOPD-UHFFFAOYSA-N 0 0 475.530 4.890 40 5 JJBBRN O=[N+]([O-])c1cc([C@@H]2SCCN2S(=O)(=O)c2ccc3cccc4c3c2CC4)ccc1Cl ZINC000000855156 553799952 /nfs/dbraw/zinc/79/99/52/553799952.db2.gz KBTLVKZUCZYPAQ-NRFANRHFSA-N 0 0 460.964 4.936 40 5 JJBBRN CCn1c(CNc2ccccc2Cl)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000006878330 554559558 /nfs/dbraw/zinc/55/95/58/554559558.db2.gz HIKGNFQMPANUBO-UHFFFAOYSA-N 0 0 460.947 4.511 40 5 JJBBRN COc1ccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2ccccc24)cc1 ZINC000008792268 554685506 /nfs/dbraw/zinc/68/55/06/554685506.db2.gz YGFLOUZTPCPXBJ-QGZVFWFLSA-N 0 0 477.520 4.684 40 5 biogenic JJBBRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000008832223 554725708 /nfs/dbraw/zinc/72/57/08/554725708.db2.gz XQSVYTOLPGDYSB-UHFFFAOYSA-N 0 0 460.469 4.629 40 5 JJBBRN COc1c(C(=O)NC(=S)Nc2ccc(C)cc2[N+](=O)[O-])cc2ccccc2c1Br ZINC000008833226 554730436 /nfs/dbraw/zinc/73/04/36/554730436.db2.gz PBXUOXJICYJPQU-UHFFFAOYSA-N 0 0 474.336 4.954 40 5 JJBBRN COc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccc(C)cc4o3)c2)cc1[N+](=O)[O-] ZINC000008835170 554733504 /nfs/dbraw/zinc/73/35/04/554733504.db2.gz GUGPIVNIUMZEPN-UHFFFAOYSA-N 0 0 478.486 4.552 40 5 JJBBRN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1Cl ZINC000008900217 554792166 /nfs/dbraw/zinc/79/21/66/554792166.db2.gz KFHHOWHAYCTBKS-UHFFFAOYSA-N 0 0 492.923 4.843 40 5 JJBBRN O=C(Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008901063 554794226 /nfs/dbraw/zinc/79/42/26/554794226.db2.gz OLXPCLRYSLDRBL-UHFFFAOYSA-N 0 0 480.908 4.589 40 5 JJBBRN COC(=O)c1c(C)c(C(=O)Nc2cccc(Cl)c2)sc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000008926618 554823507 /nfs/dbraw/zinc/82/35/07/554823507.db2.gz XSNQYCLKZJYVAG-UHFFFAOYSA-N 0 0 473.894 4.909 40 5 JJBBRN CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)c([N+](=O)[O-])c1 ZINC000008927011 554824492 /nfs/dbraw/zinc/82/44/92/554824492.db2.gz WBPUKBFHWJFTNO-PGAZUGQPSA-N 0 0 454.482 4.564 40 5 JJBBRN Cc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4cccc([N+](=O)[O-])c4)N4C=Cc5ccccc5[C@H]34)C2O)c(C)c1 ZINC000008994634 554854522 /nfs/dbraw/zinc/85/45/22/554854522.db2.gz GCOCJEDTOZNSAO-POTDNYQPSA-N 0 0 493.519 4.610 40 5 JJBBRN COc1ccc([C@@H]2[C@@H]([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2ccccc2)cc1OC ZINC000009008908 554862948 /nfs/dbraw/zinc/86/29/48/554862948.db2.gz KMDKBKFJBUMUOR-QUKDMSEQSA-N 0 0 456.498 4.600 40 5 JJBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 ZINC000009062455 554879876 /nfs/dbraw/zinc/87/98/76/554879876.db2.gz SSKQZBGJKOKEDJ-UHFFFAOYSA-N 0 0 486.724 4.674 40 5 JJBBRN Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000009062486 554880192 /nfs/dbraw/zinc/88/01/92/554880192.db2.gz VGFNNQFSQDDJSZ-UHFFFAOYSA-N 0 0 459.487 4.926 40 5 JJBBRN CN(C)c1ccc(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)c2)cc1 ZINC000009062472 554880198 /nfs/dbraw/zinc/88/01/98/554880198.db2.gz MIIGGMHGFKRQLI-UHFFFAOYSA-N 0 0 488.529 4.684 40 5 JJBBRN CN(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000009062493 554880258 /nfs/dbraw/zinc/88/02/58/554880258.db2.gz NVRZVQSNYVVPPZ-UHFFFAOYSA-N 0 0 488.529 4.684 40 5 JJBBRN O=C1[C@H]2[C@H](ON(c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2)C(=O)N1c1cccc2ccccc21 ZINC000009209543 554978523 /nfs/dbraw/zinc/97/85/23/554978523.db2.gz RYZYEFDVPIMKHC-SDHSZQHLSA-N 0 0 465.465 4.799 40 5 JJBBRN COC(=O)c1c(C)c(C(=O)Nc2cc(C)ccc2C)sc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000013388379 555394137 /nfs/dbraw/zinc/39/41/37/555394137.db2.gz MMWOTMDHURCHRI-UHFFFAOYSA-N 0 0 467.503 4.873 40 5 JJBBRN COC(=O)c1c(C)c(C(=O)Nc2ccccc2C)sc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000013401206 555395791 /nfs/dbraw/zinc/39/57/91/555395791.db2.gz GCDZOCORLDPUAB-UHFFFAOYSA-N 0 0 467.503 4.873 40 5 JJBBRN COC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000013401192 555395822 /nfs/dbraw/zinc/39/58/22/555395822.db2.gz SZCMRRJLOZEJTR-UHFFFAOYSA-N 0 0 453.476 4.564 40 5 JJBBRN O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000013632930 555542823 /nfs/dbraw/zinc/54/28/23/555542823.db2.gz NDVFOZWNKRQNAS-UHFFFAOYSA-N 0 0 493.225 4.791 40 5 JJBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cc(I)ccc3Cl)nc21 ZINC000010010554 555593093 /nfs/dbraw/zinc/59/30/93/555593093.db2.gz BLBBXWLNADCCGK-UHFFFAOYSA-N 0 0 489.678 4.723 40 5 JJBBRN O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000010152090 555637307 /nfs/dbraw/zinc/63/73/07/555637307.db2.gz HVYABVZUSUGWPL-UHFFFAOYSA-N 0 0 452.466 4.700 40 5 JJBBRN COc1cc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1-c1ccc(CO)o1 ZINC000020142618 555663609 /nfs/dbraw/zinc/66/36/09/555663609.db2.gz USIUYYCHQWUUGL-UHFFFAOYSA-N 0 0 451.479 4.598 40 5 JJBBRN COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)ccc1-c1ccc(CO)o1 ZINC000020142813 555663799 /nfs/dbraw/zinc/66/37/99/555663799.db2.gz PRGMIPCAOQQBGS-UHFFFAOYSA-N 0 0 451.479 4.598 40 5 JJBBRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC(=S)Nc2cccc(-c3ccc(CO)o3)c2)CC1 ZINC000020153277 555672085 /nfs/dbraw/zinc/67/20/85/555672085.db2.gz QCEHGBFNISQYAJ-UHFFFAOYSA-N 0 0 494.573 4.710 40 5 JJBBRN CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000014030527 555674332 /nfs/dbraw/zinc/67/43/32/555674332.db2.gz ODPWHAGWZVCHHF-UHFFFAOYSA-N 0 0 452.330 4.519 40 5 JJBBRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000010433945 555708501 /nfs/dbraw/zinc/70/85/01/555708501.db2.gz GZUJUGYUGQVKRQ-UHFFFAOYSA-N 0 0 477.901 4.606 40 5 JJBBRN O=C(CSc1nnc(Cc2ccc(Br)cc2)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000010475664 555719468 /nfs/dbraw/zinc/71/94/68/555719468.db2.gz SVJBXTUTSUKHJE-UHFFFAOYSA-N 0 0 483.731 4.715 40 5 JJBBRN O=C(NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000014270558 555763080 /nfs/dbraw/zinc/76/30/80/555763080.db2.gz KKZTYABHOZLCLC-UHFFFAOYSA-N 0 0 451.895 4.918 40 5 JJBBRN O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000014271312 555765746 /nfs/dbraw/zinc/76/57/46/555765746.db2.gz UYEJSOVGVQBATJ-UHFFFAOYSA-N 0 0 467.595 4.702 40 5 JJBBRN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014272010 555768531 /nfs/dbraw/zinc/76/85/31/555768531.db2.gz VFKNZNMBCLSKPL-UHFFFAOYSA-N 0 0 460.515 4.960 40 5 JJBBRN Cc1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000014272237 555769094 /nfs/dbraw/zinc/76/90/94/555769094.db2.gz SKDQBLLLJOFVGA-UHFFFAOYSA-N 0 0 458.474 4.800 40 5 JJBBRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000020410836 555787831 /nfs/dbraw/zinc/78/78/31/555787831.db2.gz ACZSFFXOSQPFKY-JXMROGBWSA-N 0 0 453.882 4.997 40 5 JJBBRN COC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)sc2c1 ZINC000020412375 555790150 /nfs/dbraw/zinc/79/01/50/555790150.db2.gz HAXCMEJIJPOAJF-UHFFFAOYSA-N 0 0 453.432 4.512 40 5 JJBBRN CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000020412563 555790366 /nfs/dbraw/zinc/79/03/66/555790366.db2.gz VSFJTWPSJWCXPA-VQHVLOKHSA-N 0 0 491.375 4.858 40 5 JJBBRN Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000014291249 555792822 /nfs/dbraw/zinc/79/28/22/555792822.db2.gz HWIKDUOOAZIGTR-UHFFFAOYSA-N 0 0 478.936 4.771 40 5 JJBBRN CS(=O)(=O)N(CCCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1cc(Cl)ccc1Cl ZINC000014398352 555804310 /nfs/dbraw/zinc/80/43/10/555804310.db2.gz ZMQLXJVUDPMLRA-UHFFFAOYSA-N 0 0 480.757 4.740 40 5 JJBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cccc(Cl)c2)cc1 ZINC000014413680 555812995 /nfs/dbraw/zinc/81/29/95/555812995.db2.gz YMWKQLDGLIOIJP-UHFFFAOYSA-N 0 0 473.938 4.699 40 5 JJBBRN CCCCOc1ccc(C(=O)N(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c2ccc(C)cc2)cc1 ZINC000020583529 555837178 /nfs/dbraw/zinc/83/71/78/555837178.db2.gz QEWKNFNOGAOHJW-UHFFFAOYSA-N 0 0 487.512 4.983 40 5 JJBBRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc2ccccc21 ZINC000022278865 555916751 /nfs/dbraw/zinc/91/67/51/555916751.db2.gz IZIVXMUUMNZMBL-UHFFFAOYSA-N 0 0 461.499 4.582 40 5 JJBBRN O=C(Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1)c1cccc(Cl)c1 ZINC000022717876 555947934 /nfs/dbraw/zinc/94/79/34/555947934.db2.gz KDTJFZPGEJDXTE-UHFFFAOYSA-N 0 0 480.908 4.589 40 5 JJBBRN O=C(Nc1ccc2nn(-c3cccc4ccccc43)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022753193 555953070 /nfs/dbraw/zinc/95/30/70/555953070.db2.gz KZZMLGDQRKIJFJ-UHFFFAOYSA-N 0 0 494.511 4.571 40 5 JJBBRN Cc1cccc(-c2nnc(SCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)n2C)c1 ZINC000023553323 556078188 /nfs/dbraw/zinc/07/81/88/556078188.db2.gz FNUFCROZCPQURH-UHFFFAOYSA-N 0 0 466.548 4.553 40 5 JJBBRN COc1ccc2nc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2c1 ZINC000016227838 556130452 /nfs/dbraw/zinc/13/04/52/556130452.db2.gz CRPQSPWASXZZBX-UHFFFAOYSA-N 0 0 454.489 4.600 40 5 JJBBRN O=C(Nc1ccccc1C(F)(F)F)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000024522213 556133364 /nfs/dbraw/zinc/13/33/64/556133364.db2.gz FJWQWDDRJJWRKI-UHFFFAOYSA-N 0 0 450.394 4.699 40 5 JJBBRN CC(C)(C)c1ccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000016323102 556135476 /nfs/dbraw/zinc/13/54/76/556135476.db2.gz YCKXJTQNOFZUHR-UHFFFAOYSA-N 0 0 494.539 4.748 40 5 JJBBRN Cc1cc2c(cc1S(=O)(=O)Nc1ccc3sc4ccc(Cl)cc4c(=O)c3c1)OCC(=O)N2 ZINC000030947732 556389338 /nfs/dbraw/zinc/38/93/38/556389338.db2.gz QRRUPCOZQWKJQH-UHFFFAOYSA-N 0 0 486.958 4.508 40 5 JJBBRN O=c1[nH]c(-c2cccc(OCCOc3ccc([N+](=O)[O-])cc3)c2)nc2sc3c(c21)CCCC3 ZINC000032109538 556419587 /nfs/dbraw/zinc/41/95/87/556419587.db2.gz FXMCWZYCXMQASY-UHFFFAOYSA-N 0 0 463.515 4.896 40 5 JJBBRN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]12 ZINC000059433430 569603809 /nfs/dbraw/zinc/60/38/09/569603809.db2.gz MDTZQDXNDUZTLX-AYIBLLACSA-N 0 0 454.482 4.564 40 5 JJBBRN CCn1c(=O)c2c(nc1SCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)sc1c2CCCC1 ZINC000033375617 569625298 /nfs/dbraw/zinc/62/52/98/569625298.db2.gz JFJWFZBMQYNZMH-UHFFFAOYSA-N 0 0 478.983 4.649 40 5 JJBBRN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1sc2cc(Cl)ccc2c1Cl ZINC000033437100 569626361 /nfs/dbraw/zinc/62/63/61/569626361.db2.gz UCXMQRLIWKKKKD-UHFFFAOYSA-N 0 0 495.413 4.953 40 5 JJBBRN CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000035080350 569674453 /nfs/dbraw/zinc/67/44/53/569674453.db2.gz YYITUOGMZWKPSD-UHFFFAOYSA-N 0 0 452.492 4.720 40 5 JJBBRN Cc1ccc(C(=O)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3CSCN3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000035851893 569716771 /nfs/dbraw/zinc/71/67/71/569716771.db2.gz QPGZIVYPMJDZHQ-LUFNOOMBSA-N 0 0 485.565 4.722 40 5 JJBBRN O=C(C1=C2C(O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12)c1cccc([N+](=O)[O-])c1 ZINC000036006965 569747684 /nfs/dbraw/zinc/74/76/84/569747684.db2.gz IRCIIMCPKXAREI-NEWJYFPISA-N 0 0 499.910 4.647 40 5 JJBBRN O=C1[C@@H]2[C@H](c3ccccc3Cl)N(c3cccc([N+](=O)[O-])c3)O[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000101121632 569783560 /nfs/dbraw/zinc/78/35/60/569783560.db2.gz XHJPICMRXHBYBX-HKBOAZHASA-N 0 0 484.295 4.953 40 5 JJBBRN O=C1[C@H]2[C@H](ON(c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1 ZINC000101121627 569783584 /nfs/dbraw/zinc/78/35/84/569783584.db2.gz XHJPICMRXHBYBX-NJYVYQBISA-N 0 0 484.295 4.953 40 5 JJBBRN CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)cc1 ZINC000101201873 569786940 /nfs/dbraw/zinc/78/69/40/569786940.db2.gz PTRLPRDADMWKPV-ZRBLBEILSA-N 0 0 493.903 4.698 40 5 JJBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000039751606 569811378 /nfs/dbraw/zinc/81/13/78/569811378.db2.gz WIMXCTFKIMIQKO-UHFFFAOYSA-N 0 0 463.837 4.803 40 5 JJBBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000102732560 569818260 /nfs/dbraw/zinc/81/82/60/569818260.db2.gz RKRXFPUFHNLTPZ-GVAUOCQISA-N 0 0 465.465 4.799 40 5 JJBBRN O=C(c1ccccc1)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000102773833 569823628 /nfs/dbraw/zinc/82/36/28/569823628.db2.gz RLNBELBECOHQEU-ZGXDEKTJSA-N 0 0 489.528 4.553 40 5 JJBBRN O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000106722437 569855119 /nfs/dbraw/zinc/85/51/19/569855119.db2.gz IFNXYPZQGNPNNW-UNOMPAQXSA-N 0 0 450.432 4.530 40 5 JJBBRN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)C(c1ccccc1)c1ccccc1 ZINC000107752536 569857302 /nfs/dbraw/zinc/85/73/02/569857302.db2.gz UNDAPZCSAFMJKH-UHFFFAOYSA-N 0 0 495.004 4.603 40 5 JJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1ccc(F)cc1F ZINC000108126488 569858798 /nfs/dbraw/zinc/85/87/98/569858798.db2.gz PNRUCZTUVWKPOD-VXLYETTFSA-N 0 0 485.424 4.808 40 5 JJBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)o1 ZINC000108973066 569860096 /nfs/dbraw/zinc/86/00/96/569860096.db2.gz QZFISKKUEZEASY-CIAFOILYSA-N 0 0 494.481 4.790 40 5 JJBBRN O=C(CCCC(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000138766590 569866388 /nfs/dbraw/zinc/86/63/88/569866388.db2.gz YGRIMGAEWUMEJS-UHFFFAOYSA-N 0 0 477.473 4.678 40 5 JJBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222907509 569894100 /nfs/dbraw/zinc/89/41/00/569894100.db2.gz ZGPWQMZYWJIUHC-CQSZACIVSA-N 0 0 466.365 4.776 40 5 JJBBRN C[C@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000222913365 569894207 /nfs/dbraw/zinc/89/42/07/569894207.db2.gz IWSJSDYNBAYJQS-IBGZPJMESA-N 0 0 493.585 4.546 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223030497 569897248 /nfs/dbraw/zinc/89/72/48/569897248.db2.gz AKHSZPQFZBLWQO-IAGOWNOFSA-N 0 0 478.014 4.813 40 5 JJBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223287019 569906270 /nfs/dbraw/zinc/90/62/70/569906270.db2.gz NAHCXLADPQVWHM-OAHLLOKOSA-N 0 0 466.365 4.778 40 5 JJBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 ZINC000223397450 569909810 /nfs/dbraw/zinc/90/98/10/569909810.db2.gz FJFDKKXUONOVLI-ZEQRLZLVSA-N 0 0 455.543 4.953 40 5 JJBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 ZINC000223397108 569909828 /nfs/dbraw/zinc/90/98/28/569909828.db2.gz YAAFOXMJLCKLOV-DNQXCXABSA-N 0 0 455.543 4.953 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)o1 ZINC000223478571 569912710 /nfs/dbraw/zinc/91/27/10/569912710.db2.gz UETXZHPFEQSRNL-ZEQRLZLVSA-N 0 0 487.541 4.826 40 5 JJBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)o1 ZINC000223512322 569914106 /nfs/dbraw/zinc/91/41/06/569914106.db2.gz DCPUYYXTJLDDLA-DHIUTWEWSA-N 0 0 457.515 4.818 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)o1 ZINC000223557017 569915879 /nfs/dbraw/zinc/91/58/79/569915879.db2.gz GMUUXAPFRAXYGO-BJKOFHAPSA-N 0 0 487.541 4.826 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223715254 569920860 /nfs/dbraw/zinc/92/08/60/569920860.db2.gz VWAYRGLNIPQXLC-IBVKSMDESA-N 0 0 491.563 4.831 40 5 JJBBRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223879862 569926038 /nfs/dbraw/zinc/92/60/38/569926038.db2.gz NNRFJQCGPCDVIX-AWEZNQCLSA-N 0 0 484.405 4.688 40 5 JJBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224025502 569930982 /nfs/dbraw/zinc/93/09/82/569930982.db2.gz QRMDWHXZYXYIEB-SANMLTNESA-N 0 0 473.573 4.612 40 5 JJBBRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224318270 569940332 /nfs/dbraw/zinc/94/03/32/569940332.db2.gz BVWZIXBYQLIGIM-OAHLLOKOSA-N 0 0 466.365 4.634 40 5 JJBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224427063 569944221 /nfs/dbraw/zinc/94/42/21/569944221.db2.gz DGDUAIWMTHKHCZ-VWLOTQADSA-N 0 0 491.563 4.831 40 5 JJBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224644212 569951981 /nfs/dbraw/zinc/95/19/81/569951981.db2.gz SFBAEVYYGWWPQC-KRWDZBQOSA-N 0 0 490.025 4.958 40 5 JJBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224904622 569962693 /nfs/dbraw/zinc/96/26/93/569962693.db2.gz JOQHAYJPQFWKRQ-VWLOTQADSA-N 0 0 493.991 4.955 40 5 JJBBRN CCn1c(COc2cccc3ccccc32)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000408594134 569965419 /nfs/dbraw/zinc/96/54/19/569965419.db2.gz GCDVSJGQPDQAGL-UHFFFAOYSA-N 0 0 463.519 4.669 40 5 JJBBRN C[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224980104 569967027 /nfs/dbraw/zinc/96/70/27/569967027.db2.gz KNUWWCSHTSSUMK-FQEVSTJZSA-N 0 0 483.634 4.737 40 5 JJBBRN CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000408603169 569969947 /nfs/dbraw/zinc/96/99/47/569969947.db2.gz DRTVJZVRGXDIAB-FNORWQNLSA-N 0 0 481.549 4.924 40 5 JJBBRN CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000408608494 569971894 /nfs/dbraw/zinc/97/18/94/569971894.db2.gz WVUADKDTNXZBDR-UXBLZVDNSA-N 0 0 482.449 4.694 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225251111 569985773 /nfs/dbraw/zinc/98/57/73/569985773.db2.gz KRLYNPRBTBCAIC-HUUCEWRRSA-N 0 0 466.365 4.776 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225251192 569985924 /nfs/dbraw/zinc/98/59/24/569985924.db2.gz KRLYNPRBTBCAIC-CABCVRRESA-N 0 0 466.365 4.776 40 5 JJBBRN Cc1ccc(NC(=O)c2cccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)c2)c(C)c1 ZINC000408647800 569992497 /nfs/dbraw/zinc/99/24/97/569992497.db2.gz XMOZCEMKUNHLTA-FQEVSTJZSA-N 0 0 486.528 4.764 40 5 JJBBRN COc1ccc([N+](=O)[O-])c(N2C(=O)[C@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 ZINC000408651136 569994157 /nfs/dbraw/zinc/99/41/57/569994157.db2.gz GOUAJSWHWZSZTG-JUJAOGAQSA-N 0 0 495.318 4.701 40 5 JJBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1F)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408661324 570000846 /nfs/dbraw/zinc/00/08/46/570000846.db2.gz QPBTVWWOONYKHU-CSKPTYFESA-N 0 0 483.282 4.832 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408661590 570001029 /nfs/dbraw/zinc/00/10/29/570001029.db2.gz RAYMEGUYZNCKGJ-AGYDLCDTSA-N 0 0 495.318 4.701 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408661593 570001063 /nfs/dbraw/zinc/00/10/63/570001063.db2.gz RAYMEGUYZNCKGJ-JUJAOGAQSA-N 0 0 495.318 4.701 40 5 JJBBRN O=C(CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1 ZINC000225514629 570001477 /nfs/dbraw/zinc/00/14/77/570001477.db2.gz AUQLKGPYJMJACC-JWQCQUIFSA-N 0 0 499.552 4.861 40 5 JJBBRN O=C(CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1 ZINC000225519573 570002017 /nfs/dbraw/zinc/00/20/17/570002017.db2.gz SRVCBDYTMLGKRZ-JWQCQUIFSA-N 0 0 499.552 4.861 40 5 JJBBRN O=C(CCCC(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Nc1cccc([N+](=O)[O-])c1 ZINC000408665282 570003844 /nfs/dbraw/zinc/00/38/44/570003844.db2.gz LFLQZMBOFTVPCE-UHFFFAOYSA-N 0 0 487.818 4.558 40 5 JJBBRN CCn1c(Cc2ccccc2)nnc1SCC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000408674821 570009539 /nfs/dbraw/zinc/00/95/39/570009539.db2.gz IUNWYOZETAKATG-UHFFFAOYSA-N 0 0 461.341 4.535 40 5 JJBBRN O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408677431 570010971 /nfs/dbraw/zinc/01/09/71/570010971.db2.gz BWLDTWRFQSZBGJ-UHFFFAOYSA-N 0 0 470.268 4.755 40 5 JJBBRN CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 ZINC000408682493 570012893 /nfs/dbraw/zinc/01/28/93/570012893.db2.gz JHPRRCUINVBKMU-RBUKOAKNSA-N 0 0 488.327 4.800 40 5 JJBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 ZINC000408684455 570013542 /nfs/dbraw/zinc/01/35/42/570013542.db2.gz NJKUOSYMBRZZAF-VMDGZTHMSA-N 0 0 490.343 4.880 40 5 JJBBRN CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 ZINC000408684551 570013593 /nfs/dbraw/zinc/01/35/93/570013593.db2.gz NSWBMKOMGWQMOS-FUHWJXTLSA-N 0 0 488.327 4.800 40 5 JJBBRN O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408685354 570013832 /nfs/dbraw/zinc/01/38/32/570013832.db2.gz PDXVXXHNDDJVKM-IYBDPMFKSA-N 0 0 476.316 4.634 40 5 JJBBRN CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 ZINC000408688644 570014595 /nfs/dbraw/zinc/01/45/95/570014595.db2.gz WKTJXWPFDLALCM-FUHWJXTLSA-N 0 0 488.327 4.800 40 5 JJBBRN Cc1c(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000225787399 570021727 /nfs/dbraw/zinc/02/17/27/570021727.db2.gz RBCUJNLCXFCLKY-UHFFFAOYSA-N 0 0 489.962 4.782 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl ZINC000225800976 570022370 /nfs/dbraw/zinc/02/23/70/570022370.db2.gz JLIHCLOWJBWWJR-UHFFFAOYSA-N 0 0 489.962 4.782 40 5 JJBBRN Cc1c(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000225801040 570022390 /nfs/dbraw/zinc/02/23/90/570022390.db2.gz SGAMUNKPVQVOIM-UHFFFAOYSA-N 0 0 489.962 4.782 40 5 JJBBRN CC1(C)CC(=O)C(C(c2ccc(Br)c([N+](=O)[O-])c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000408719814 570026304 /nfs/dbraw/zinc/02/63/04/570026304.db2.gz FXLOGDWELFEBBR-UHFFFAOYSA-N 0 0 492.366 4.590 40 5 JJBBRN Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccccc2)[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]21 ZINC000408730646 570029085 /nfs/dbraw/zinc/02/90/85/570029085.db2.gz GTESCVPNCPPFFS-FSAHKVHBSA-N 0 0 494.503 4.733 40 5 JJBBRN CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12 ZINC000408735452 570030161 /nfs/dbraw/zinc/03/01/61/570030161.db2.gz QBUNVSRNVNNTOL-URFUVCHWSA-N 0 0 458.901 4.993 40 5 JJBBRN O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Br)cc1)OCc1ccccc1 ZINC000408738880 570031293 /nfs/dbraw/zinc/03/12/93/570031293.db2.gz WSPOXXFMGVBTEK-NRFANRHFSA-N 0 0 498.333 4.834 40 5 JJBBRN O=C(CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1)Nc1ccccc1 ZINC000408750961 570034212 /nfs/dbraw/zinc/03/42/12/570034212.db2.gz UOWUBQIIMBAGLM-UHFFFAOYSA-N 0 0 490.522 4.736 40 5 JJBBRN CCOc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)/C=C/c1ccccc1 ZINC000408838311 570053253 /nfs/dbraw/zinc/05/32/53/570053253.db2.gz DKAIJVKZHUBXND-HSGJKIJMSA-N 0 0 484.464 4.957 40 5 JJBBRN CC1=NN(c2ccccc2)C(=O)[C@@]12[C@H](c1cccc([N+](=O)[O-])c1)[C@@]21C(C)=NN(c2ccccc2)C1=O ZINC000248029712 570073017 /nfs/dbraw/zinc/07/30/17/570073017.db2.gz LMWYGKCULRTENX-JNMKDEPVSA-N 0 0 479.496 4.510 40 5 JJBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-])C1(Cl)c3ccccc3C2c2ccccc21 ZINC000408918101 570076006 /nfs/dbraw/zinc/07/60/06/570076006.db2.gz GDSJCFRXKMWSCH-ISQHLFTMSA-N 0 0 465.292 4.995 40 5 JJBBRN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3(Br)c3ccccc32)cc1[N+](=O)[O-] ZINC000408919035 570076547 /nfs/dbraw/zinc/07/65/47/570076547.db2.gz RWBRMKJGXCXNHC-ZKKFKWFVSA-N 0 0 489.325 4.806 40 5 JJBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)c1 ZINC000408941619 570082831 /nfs/dbraw/zinc/08/28/31/570082831.db2.gz WMCWITCOAYNYHM-UDWIEESQSA-N 0 0 463.471 4.838 40 5 JJBBRN CCN(CC)C(=O)[C@H]1CCCN(C(=S)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)C1 ZINC000408977764 570090252 /nfs/dbraw/zinc/09/02/52/570090252.db2.gz YANZSIVTNNUMHC-INIZCTEOSA-N 0 0 460.607 4.542 40 5 JJBBRN CCOc1cc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000408988522 570093240 /nfs/dbraw/zinc/09/32/40/570093240.db2.gz RBPHCEKFXSDBDQ-FYJGNVAPSA-N 0 0 488.452 4.566 40 5 JJBBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O ZINC000409012476 570099937 /nfs/dbraw/zinc/09/99/37/570099937.db2.gz KHNAVYRBTNVWFE-QLPFJNHISA-N 0 0 493.541 4.894 40 5 JJBBRN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000409026537 570104551 /nfs/dbraw/zinc/10/45/51/570104551.db2.gz RQIHWAQCAUAWGH-UHFFFAOYSA-N 0 0 480.329 4.736 40 5 JJBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(C)c(Cl)c2)cc1 ZINC000409028437 570105321 /nfs/dbraw/zinc/10/53/21/570105321.db2.gz MJVMFOFDDLYHNS-UHFFFAOYSA-N 0 0 473.938 4.699 40 5 JJBBRN CCOC(=O)CN1C(=O)S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C1=O ZINC000409060163 570113787 /nfs/dbraw/zinc/11/37/87/570113787.db2.gz YBELMRIOKLYOLI-LPYMAVHISA-N 0 0 492.509 4.926 40 5 JJBBRN O=C(Nc1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1)Nc1cccc([N+](=O)[O-])c1 ZINC000409130615 570139930 /nfs/dbraw/zinc/13/99/30/570139930.db2.gz WUHZGHCWOFGOKX-UHFFFAOYSA-N 0 0 459.443 4.649 40 5 JJBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)Nc1cccc(Cl)c1 ZINC000409151352 570149279 /nfs/dbraw/zinc/14/92/79/570149279.db2.gz GHSHXOCQGRWNKM-CHHVJCJISA-N 0 0 452.275 4.577 40 5 JJBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1 ZINC000409151627 570149284 /nfs/dbraw/zinc/14/92/84/570149284.db2.gz IBWJQDZTIFCKHU-PXNMLYILSA-N 0 0 463.924 4.645 40 5 JJBBRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2CC)cc1 ZINC000409152625 570149517 /nfs/dbraw/zinc/14/95/17/570149517.db2.gz FOZHNNNSVYUYIL-MRXNPFEDSA-N 0 0 469.567 4.948 40 5 JJBBRN Cc1ccc(NC(=O)Cn2nc(COc3ccc4c(c3)CCCC4)oc2=S)cc1[N+](=O)[O-] ZINC000409162099 570152331 /nfs/dbraw/zinc/15/23/31/570152331.db2.gz CQKGJZBPKOSXGU-UHFFFAOYSA-N 0 0 454.508 4.519 40 5 JJBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000409163396 570152619 /nfs/dbraw/zinc/15/26/19/570152619.db2.gz QXNLUQMOGHUPSE-UDWIEESQSA-N 0 0 479.470 4.538 40 5 JJBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000409165191 570153055 /nfs/dbraw/zinc/15/30/55/570153055.db2.gz UNBKJEOLVRDJPM-UDWIEESQSA-N 0 0 463.471 4.838 40 5 JJBBRN CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000409165440 570153114 /nfs/dbraw/zinc/15/31/14/570153114.db2.gz YGOSASNSBMEECZ-UHFFFAOYSA-N 0 0 469.567 4.948 40 5 JJBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000409171473 570154939 /nfs/dbraw/zinc/15/49/39/570154939.db2.gz BZOLIDWZRRYNAA-RUZDIDTESA-N 0 0 477.542 4.672 40 5 JJBBRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000409173638 570155842 /nfs/dbraw/zinc/15/58/42/570155842.db2.gz NEPVDHXVOBZWBI-UHFFFAOYSA-N 0 0 459.911 4.539 40 5 JJBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(F)cc1[N+](=O)[O-])C1(Br)c3ccccc3C2c2ccccc21 ZINC000409177105 570157412 /nfs/dbraw/zinc/15/74/12/570157412.db2.gz ARHYCBXBCDFPAE-ZRDDSIGQSA-N 0 0 493.288 4.637 40 5 JJBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 ZINC000409178963 570158133 /nfs/dbraw/zinc/15/81/33/570158133.db2.gz LLNQCEXSCHUOOD-UHFFFAOYSA-N 0 0 453.834 4.816 40 5 JJBBRN Cc1ccc(Cl)cc1N1C(=O)c2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2C1=O ZINC000409180801 570159094 /nfs/dbraw/zinc/15/90/94/570159094.db2.gz VSGLBFKCNKVQPH-UHFFFAOYSA-N 0 0 450.834 4.714 40 5 JJBBRN Cc1c(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409181287 570159321 /nfs/dbraw/zinc/15/93/21/570159321.db2.gz APVALZAWADZFKU-OAQYLSRUSA-N 0 0 465.374 4.501 40 5 JJBBRN CCOc1cc(/C=C2/N=C(c3ccco3)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000409191917 570162240 /nfs/dbraw/zinc/16/22/40/570162240.db2.gz QHLBOUDYSIQRRQ-PJBLTWOLSA-N 0 0 474.425 4.550 40 5 JJBBRN COc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000409192442 570162373 /nfs/dbraw/zinc/16/23/73/570162373.db2.gz XMEMUNOGHNHHLQ-TWSKGESGSA-N 0 0 484.464 4.875 40 5 JJBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C)c(C)cc3[N+](=O)[O-])o2)C1=O ZINC000409200731 570165170 /nfs/dbraw/zinc/16/51/70/570165170.db2.gz ITEGTKJOXXYJIY-SAGYFLTASA-N 0 0 458.492 4.850 40 5 JJBBRN O=C1N/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1ccccc1 ZINC000409207350 570167656 /nfs/dbraw/zinc/16/76/56/570167656.db2.gz SLMNPOWXGFPZIW-UCQKPKSFSA-N 0 0 452.470 4.691 40 5 JJBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O ZINC000409209115 570168627 /nfs/dbraw/zinc/16/86/27/570168627.db2.gz FXAHHWBQXVUZKK-APSNUPSMSA-N 0 0 482.301 4.585 40 5 JJBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)OCC(C)C)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409209484 570168731 /nfs/dbraw/zinc/16/87/31/570168731.db2.gz BWNKDVNXJCSWJY-DJKKODMXSA-N 0 0 458.492 4.707 40 5 JJBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O ZINC000409211584 570170005 /nfs/dbraw/zinc/17/00/05/570170005.db2.gz OKIDAWLEQGBAHO-DTQASYIRSA-N 0 0 464.883 4.886 40 5 JJBBRN COc1ccc(-c2ccc(C=C3SC(=O)N(CC(=O)c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409222982 570175137 /nfs/dbraw/zinc/17/51/37/570175137.db2.gz FTSKHZCQMXHNGK-CIAFOILYSA-N 0 0 464.455 4.783 40 5 JJBBRN CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O ZINC000409241934 570182346 /nfs/dbraw/zinc/18/23/46/570182346.db2.gz ZKLNENDAYDIIGK-LICLKQGHSA-N 0 0 450.278 4.783 40 5 JJBBRN Cc1c(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000409269364 570189018 /nfs/dbraw/zinc/18/90/18/570189018.db2.gz HWYXTQSAHNOZQC-UHFFFAOYSA-N 0 0 467.547 4.861 40 5 JJBBRN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccc([N+](=O)[O-])c(OC)c3)n2)cc1 ZINC000408554934 570196651 /nfs/dbraw/zinc/19/66/51/570196651.db2.gz GKABNTBKRICIHK-UHFFFAOYSA-N 0 0 494.451 4.819 40 5 JJBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Cc2cccc(Cl)c2)cc1 ZINC000409320678 570201110 /nfs/dbraw/zinc/20/11/10/570201110.db2.gz DSYXXQDJFSIBQI-UHFFFAOYSA-N 0 0 487.965 4.695 40 5 JJBBRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000408564606 570202801 /nfs/dbraw/zinc/20/28/01/570202801.db2.gz YJJGQFOGENZEFP-UHFFFAOYSA-N 0 0 459.911 4.918 40 5 JJBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OC)c(Br)c2)cc1 ZINC000408565456 570203396 /nfs/dbraw/zinc/20/33/96/570203396.db2.gz BZLDVDFMMIPOCE-IBGZPJMESA-N 0 0 493.383 4.856 40 5 JJBBRN CN1C[C@H](c2ccc(OCc3cccc(F)c3)c(Cl)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408569361 570204428 /nfs/dbraw/zinc/20/44/28/570204428.db2.gz VYXSHYYRQOVGKY-DPQOWFAMSA-N 0 0 481.911 4.580 40 5 JJBBRN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)ccc1[N+](=O)[O-] ZINC000408573933 570205304 /nfs/dbraw/zinc/20/53/04/570205304.db2.gz FSRABUQUWSJISF-UHFFFAOYSA-N 0 0 459.911 4.918 40 5 JJBBRN COc1cc(Cl)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OC ZINC000408574580 570205455 /nfs/dbraw/zinc/20/54/55/570205455.db2.gz VHVYAGXIEYQVNS-FQEVSTJZSA-N 0 0 462.959 4.973 40 5 JJBBRN CCOc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccccc1 ZINC000408575613 570205710 /nfs/dbraw/zinc/20/57/10/570205710.db2.gz WRUHBUYUPWJMFZ-SFHVURJKSA-N 0 0 463.357 4.847 40 5 JJBBRN Cc1c(NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000408587784 570208468 /nfs/dbraw/zinc/20/84/68/570208468.db2.gz UMVGAQWYXFEUEL-UHFFFAOYSA-N 0 0 491.928 4.525 40 5 JJBBRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)Cc2ccccc2)c(C)c1 ZINC000408588959 570208682 /nfs/dbraw/zinc/20/86/82/570208682.db2.gz XMBZPSKHARWOPO-UHFFFAOYSA-N 0 0 481.574 4.658 40 5 JJBBRN CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000000876338 193939520 /nfs/dbraw/zinc/93/95/20/193939520.db2.gz LWOZGCONQOUAOU-CQSZACIVSA-N 0 0 475.958 4.866 40 5 JJBBRN CC(C)c1nc2sc3c(c2c(N2CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC2)n1)CC[C@H](C)C3 ZINC000001357297 194101312 /nfs/dbraw/zinc/10/13/12/194101312.db2.gz BOQOVOOEZYRLGH-INIZCTEOSA-N 0 0 479.606 4.810 40 5 JJBBRN O=C(CSc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 ZINC000001475777 194125460 /nfs/dbraw/zinc/12/54/60/194125460.db2.gz XWDQDYGVDJAZJM-UHFFFAOYSA-N 0 0 488.387 4.638 40 5 JJBBRN Nc1nc(-c2cc(-c3cccc([N+](=O)[O-])c3Cl)nc(N)n2)cc(-c2cccc([N+](=O)[O-])c2Cl)n1 ZINC000001588458 194128731 /nfs/dbraw/zinc/12/87/31/194128731.db2.gz XRZNWAMQIRVENM-UHFFFAOYSA-N 0 0 499.274 4.555 40 5 JJBBRN O=C(Oc1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000001671467 194131106 /nfs/dbraw/zinc/13/11/06/194131106.db2.gz JJMZAKWTRGGOSG-UHFFFAOYSA-N 0 0 470.004 4.628 40 5 JJBBRN COC(=O)/C(=C/c1cc(/C=C(/C(=O)OC)c2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000003845551 194364311 /nfs/dbraw/zinc/36/43/11/194364311.db2.gz VTYKXPQICUQLCM-NNFYUIBOSA-N 0 0 488.452 4.930 40 5 JJBBRN Cc1cc(Br)ccc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000008833008 194487413 /nfs/dbraw/zinc/48/74/13/194487413.db2.gz MUFUUFYAOYODID-UHFFFAOYSA-N 0 0 477.384 4.783 40 5 JJBBRN CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000008900307 194491763 /nfs/dbraw/zinc/49/17/63/194491763.db2.gz RJURLJTVSNXJEE-UHFFFAOYSA-N 0 0 486.532 4.888 40 5 JJBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2Br)o1 ZINC000009056678 194514643 /nfs/dbraw/zinc/51/46/43/194514643.db2.gz VBIDDTUMKLJTJB-NSHDSACASA-N 0 0 463.313 4.835 40 5 JJBBRN O=C(CSc1nc(-c2ccccc2)nn1C(=O)c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000009057300 194515694 /nfs/dbraw/zinc/51/56/94/194515694.db2.gz GYMFMGPTWDDZCS-UHFFFAOYSA-N 0 0 493.932 4.926 40 5 JJBBRN O=[N+]([O-])c1ccc(N2CCN(c3ncnc4c(-c5ccc(Cl)cc5)nsc43)CC2)cc1 ZINC000012639724 195069995 /nfs/dbraw/zinc/06/99/95/195069995.db2.gz LRFNDFZMZFVAEW-UHFFFAOYSA-N 0 0 452.927 4.642 40 5 JJBBRN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1Cl ZINC000020610788 195183763 /nfs/dbraw/zinc/18/37/63/195183763.db2.gz DKHBDXYYVSJEGE-UHFFFAOYSA-N 0 0 458.261 4.896 40 5 JJBBRN O=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)ccc21 ZINC000020767270 195222844 /nfs/dbraw/zinc/22/28/44/195222844.db2.gz CRWWWKBTVLXOMY-UHFFFAOYSA-N 0 0 471.922 4.642 40 5 JJBBRN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000020970306 195257667 /nfs/dbraw/zinc/25/76/67/195257667.db2.gz RLDZSOCNFOQVNV-QHCPKHFHSA-N 0 0 455.474 4.881 40 5 JJBBRN CCOC(=O)C1C(c2ccc(OC)cc2)=Nc2nc3ccccc3n2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000021005714 195266025 /nfs/dbraw/zinc/26/60/25/195266025.db2.gz HFJYRQKRWHYYMJ-DEOSSOPVSA-N 0 0 470.485 4.942 40 5 JJBBRN O=C(CN1C(=O)S/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1Cl ZINC000409231198 195506799 /nfs/dbraw/zinc/50/67/99/195506799.db2.gz IQMQCNXEOSCEFI-XDHOZWIPSA-N 0 0 482.905 4.714 40 5 JJBBRN CC(C)C[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000022429775 519384992 /nfs/dbraw/zinc/38/49/92/519384992.db2.gz LPVCUQVAVQAWSP-DEOSSOPVSA-N 0 0 481.574 4.694 40 5 JJBBRN CCC(=O)n1c(Cc2ccc(OC)cc2)nc2c1SC(c1cccc([N+](=O)[O-])c1)=NN2C(=O)CC ZINC000016807234 521262243 /nfs/dbraw/zinc/26/22/43/521262243.db2.gz ZIYFNSZKMVIJAQ-UHFFFAOYSA-N 0 0 493.545 4.651 40 5 JJBBRN COc1ccc(NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 ZINC000006136720 524680370 /nfs/dbraw/zinc/68/03/70/524680370.db2.gz IQEZWBSBURGCTF-UHFFFAOYSA-N 0 0 490.545 4.527 40 5 JJBBRN C[C@@H]1Cc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448642 525519931 /nfs/dbraw/zinc/51/99/31/525519931.db2.gz JTWTXEDHBYRQLX-CQSZACIVSA-N 0 0 471.922 4.640 40 5 JJBBRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000016284374 525688328 /nfs/dbraw/zinc/68/83/28/525688328.db2.gz PZUMDBQVDZTYGA-UHFFFAOYSA-N 0 0 453.458 4.808 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 ZINC000000868705 526081549 /nfs/dbraw/zinc/08/15/49/526081549.db2.gz MOYHHUSWTFWNSC-UHFFFAOYSA-N 0 0 459.531 4.806 40 5 JJBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1O ZINC000016476480 526436125 /nfs/dbraw/zinc/43/61/25/526436125.db2.gz UVTOEXNTBVOKQM-FQEVSTJZSA-N 0 0 456.248 4.844 40 5 JJBBRN O=C(Oc1ccc(/C=C2/N=C(c3cccc(Br)c3)OC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000017086178 526439122 /nfs/dbraw/zinc/43/91/22/526439122.db2.gz XUXJBUOFNOKBRR-RGVLZGJSSA-N 0 0 493.269 4.921 40 5 JJBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000044849021 527129671 /nfs/dbraw/zinc/12/96/71/527129671.db2.gz RGTMFIOLLOYYJR-UHFFFAOYSA-N 0 0 466.302 4.955 40 5 JJBBRN O=C(Nc1nc2ccc(C(=O)Nc3ccccc3)cc2s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000020523320 527513985 /nfs/dbraw/zinc/51/39/85/527513985.db2.gz HPYRPAJIYATOSY-UHFFFAOYSA-N 0 0 463.431 4.617 40 5 JJBBRN O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000000870431 553808723 /nfs/dbraw/zinc/80/87/23/553808723.db2.gz WOEIAPRKSBHWFI-UHFFFAOYSA-N 0 0 459.531 4.556 40 5 JJBBRN COc1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)cc1 ZINC000000907428 553839964 /nfs/dbraw/zinc/83/99/64/553839964.db2.gz UJFRXBLPLMTJRB-UHFFFAOYSA-N 0 0 475.530 4.890 40 5 JJBBRN CCn1c(CNc2cccc(C(F)(F)F)c2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006135596 554507869 /nfs/dbraw/zinc/50/78/69/554507869.db2.gz QMTDYFBCUDDBRO-UHFFFAOYSA-N 0 0 480.472 4.568 40 5 JJBBRN Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2O)cc1 ZINC000006280089 554524302 /nfs/dbraw/zinc/52/43/02/554524302.db2.gz ZQNPOZKSUGGAPS-UHFFFAOYSA-N 0 0 461.503 4.587 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000006280766 554524865 /nfs/dbraw/zinc/52/48/65/554524865.db2.gz IQPQLSIPHVXLKX-UHFFFAOYSA-N 0 0 490.501 4.790 40 5 JJBBRN CCOc1ccc(NC(=O)c2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c(C(=O)OC)c2C)cc1 ZINC000006601201 554555957 /nfs/dbraw/zinc/55/59/57/554555957.db2.gz XXERNDDIADDWKX-UHFFFAOYSA-N 0 0 483.502 4.655 40 5 JJBBRN CCn1c(CNc2ccccc2Cl)nnc1S[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006878545 554560254 /nfs/dbraw/zinc/56/02/54/554560254.db2.gz WPUXHSRJLWLQBC-CYBMUJFWSA-N 0 0 460.947 4.591 40 5 JJBBRN C[C@H](Sc1nnc(-c2ccc(O)cc2)n1Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000008435658 554587644 /nfs/dbraw/zinc/58/76/44/554587644.db2.gz XMIXASDDCJQXRG-INIZCTEOSA-N 0 0 475.530 4.727 40 5 JJBBRN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008831863 554724194 /nfs/dbraw/zinc/72/41/94/554724194.db2.gz DZWYSXMWIVXNGQ-UHFFFAOYSA-N 0 0 457.490 4.535 40 5 JJBBRN O=C(NC(=S)Nc1nc2c(cccc2Cl)s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000008835415 554734364 /nfs/dbraw/zinc/73/43/64/554734364.db2.gz PQLXKUUCHUNUNR-UHFFFAOYSA-N 0 0 475.983 4.975 40 5 JJBBRN COc1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1Cl ZINC000008835592 554734738 /nfs/dbraw/zinc/73/47/38/554734738.db2.gz VSANNALMIQDOGH-UHFFFAOYSA-N 0 0 484.921 4.636 40 5 JJBBRN COc1cc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])ccc1NC(=O)c1ccccc1Cl ZINC000008835590 554734768 /nfs/dbraw/zinc/73/47/68/554734768.db2.gz PGBQPISNWYONFU-UHFFFAOYSA-N 0 0 484.921 4.636 40 5 JJBBRN COc1ccc2c3nc(C(=O)NCCc4ccccc4)cc4c5ccccc5n(c43)c(=O)c2c1OC ZINC000008878063 554773815 /nfs/dbraw/zinc/77/38/15/554773815.db2.gz STZIBUBGDNLKCX-UHFFFAOYSA-N 0 0 477.520 4.582 40 5 biogenic JJBBRN O=C(c1cccc(-c2cc3ccccc3oc2=O)c1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000008898701 554789420 /nfs/dbraw/zinc/78/94/20/554789420.db2.gz BQQPYIVLKZBGLG-UHFFFAOYSA-N 0 0 489.915 4.984 40 5 JJBBRN Cc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000008901565 554795082 /nfs/dbraw/zinc/79/50/82/554795082.db2.gz KYOUAHGIRIKRDN-UHFFFAOYSA-N 0 0 478.936 4.771 40 5 JJBBRN CCOc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1[N+](=O)[O-] ZINC000008902700 554796525 /nfs/dbraw/zinc/79/65/25/554796525.db2.gz APZYNSSXQUYLLH-UHFFFAOYSA-N 0 0 452.448 4.701 40 5 JJBBRN O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)Nc1ccc([N+](=O)[O-])cc1 ZINC000009057525 554876474 /nfs/dbraw/zinc/87/64/74/554876474.db2.gz WEXOBUXQUOXSOT-UHFFFAOYSA-N 0 0 492.582 4.965 40 5 JJBBRN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1Cc1ccco1 ZINC000009059421 554878097 /nfs/dbraw/zinc/87/80/97/554878097.db2.gz CULJGGGZAVWCJQ-UHFFFAOYSA-N 0 0 479.518 4.542 40 5 JJBBRN Cc1cccc(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)cc2)c1 ZINC000009062441 554879906 /nfs/dbraw/zinc/87/99/06/554879906.db2.gz QJPVLPVXCXLGSS-UHFFFAOYSA-N 0 0 459.487 4.926 40 5 JJBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(NC(=O)C(Cl)(Cl)Cl)c1 ZINC000009062476 554880256 /nfs/dbraw/zinc/88/02/56/554880256.db2.gz WDQAECNNUAFCJK-UHFFFAOYSA-N 0 0 486.724 4.674 40 5 JJBBRN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3O)nc2c1 ZINC000009064882 554884110 /nfs/dbraw/zinc/88/41/10/554884110.db2.gz KPWKXSMUGWGYKB-UHFFFAOYSA-N 0 0 462.487 4.798 40 5 JJBBRN Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)ccc3O)oc2c(C)c1 ZINC000009064906 554884343 /nfs/dbraw/zinc/88/43/43/554884343.db2.gz NVVQRURKBDJVDS-UHFFFAOYSA-N 0 0 462.487 4.852 40 5 JJBBRN O=C1[C@H]2[C@H](ON(c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000009159206 554948846 /nfs/dbraw/zinc/94/88/46/554948846.db2.gz PNRAUUFHWKLZIG-NJYVYQBISA-N 0 0 484.295 4.953 40 5 JJBBRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc(Cl)c1Cl ZINC000019856528 555516278 /nfs/dbraw/zinc/51/62/78/555516278.db2.gz UTOCBYGAPFCOJK-UHFFFAOYSA-N 0 0 480.329 4.736 40 5 JJBBRN Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000019929294 555546113 /nfs/dbraw/zinc/54/61/13/555546113.db2.gz RXRKLPUFDUCQQD-UHFFFAOYSA-N 0 0 469.306 4.903 40 5 JJBBRN CCOc1cc(C(=O)Nc2nc3c(cc([N+](=O)[O-])cc3OC)s2)cc(OCC)c1OCC ZINC000010010565 555593002 /nfs/dbraw/zinc/59/30/02/555593002.db2.gz HQJWHCBCHKNPJF-UHFFFAOYSA-N 0 0 461.496 4.662 40 5 JJBBRN COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000010119933 555631765 /nfs/dbraw/zinc/63/17/65/555631765.db2.gz JDUUIBLQMJIHIA-DHZHZOJOSA-N 0 0 488.485 4.682 40 5 JJBBRN COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000010119904 555631785 /nfs/dbraw/zinc/63/17/85/555631785.db2.gz VMMCEZRPGZXMSU-UHFFFAOYSA-N 0 0 486.922 4.890 40 5 JJBBRN O=[N+]([O-])c1ccc(N2CCN([C@H](c3nnnn3C3CCCCC3)c3ccc4ncccc4c3)CC2)cc1 ZINC000020098388 555633242 /nfs/dbraw/zinc/63/32/42/555633242.db2.gz UCBNMBXVWIHEHG-SANMLTNESA-N 0 0 498.591 4.546 40 5 JJBBRN CC(C)C[C@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000020108767 555643986 /nfs/dbraw/zinc/64/39/86/555643986.db2.gz HVQWJRYTTIKDEH-DEOSSOPVSA-N 0 0 481.574 4.694 40 5 JJBBRN COc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc(C)c([N+](=O)[O-])c2)OC1=O ZINC000013929799 555648104 /nfs/dbraw/zinc/64/81/04/555648104.db2.gz SRDKYOUWWZQVSA-NSIKDUERSA-N 0 0 496.111 4.781 40 5 JJBBRN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000014041846 555674341 /nfs/dbraw/zinc/67/43/41/555674341.db2.gz HSCWWXBUKFGQHH-UHFFFAOYSA-N 0 0 452.330 4.663 40 5 JJBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccccc1Cl ZINC000014068107 555676842 /nfs/dbraw/zinc/67/68/42/555676842.db2.gz MCRRHCVCWHUEKQ-UHFFFAOYSA-N 0 0 452.323 4.911 40 5 JJBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Cc2ccc(Cl)cc2)cc1 ZINC000014135486 555703402 /nfs/dbraw/zinc/70/34/02/555703402.db2.gz MAVXXVZGRVSCEY-UHFFFAOYSA-N 0 0 487.965 4.695 40 5 JJBBRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2C)c1 ZINC000014154346 555711505 /nfs/dbraw/zinc/71/15/05/555711505.db2.gz YLAPUDJEGRTBLA-UHFFFAOYSA-N 0 0 453.520 4.882 40 5 JJBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000014155915 555714739 /nfs/dbraw/zinc/71/47/39/555714739.db2.gz AQZSMPKPKLGAMA-UHFFFAOYSA-N 0 0 469.519 4.582 40 5 JJBBRN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)oc2c1 ZINC000014272241 555769064 /nfs/dbraw/zinc/76/90/64/555769064.db2.gz NDXUTFILSLZJJM-UHFFFAOYSA-N 0 0 458.474 4.800 40 5 JJBBRN O=C(NC(=S)Nc1ccc(NC(=O)c2ccccc2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014274736 555777956 /nfs/dbraw/zinc/77/79/56/555777956.db2.gz YOMRXVOINOYGCG-UHFFFAOYSA-N 0 0 489.557 4.574 40 5 JJBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000014275248 555780137 /nfs/dbraw/zinc/78/01/37/555780137.db2.gz FAIBPNJWMHDKMJ-UHFFFAOYSA-N 0 0 491.279 4.652 40 5 JJBBRN CCOc1cc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc(OCC)c1OCC ZINC000014275938 555782334 /nfs/dbraw/zinc/78/23/34/555782334.db2.gz PTQJVPNGSVGQBJ-UHFFFAOYSA-N 0 0 481.958 4.880 40 5 JJBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000014279140 555790580 /nfs/dbraw/zinc/79/05/80/555790580.db2.gz ARIYNCBFHFGFSF-NTUHNPAUSA-N 0 0 490.947 4.863 40 5 JJBBRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000014291034 555791890 /nfs/dbraw/zinc/79/18/90/555791890.db2.gz HVIGMZBXPOSWNC-UHFFFAOYSA-N 0 0 480.952 4.588 40 5 JJBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)cc1[N+](=O)[O-] ZINC000020528996 555793658 /nfs/dbraw/zinc/79/36/58/555793658.db2.gz YIDVPJRHPYXEAX-UHFFFAOYSA-N 0 0 461.386 4.537 40 5 JJBBRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(Cl)c1 ZINC000014411916 555810884 /nfs/dbraw/zinc/81/08/84/555810884.db2.gz IOPMOVPCOOSPLM-UHFFFAOYSA-N 0 0 480.329 4.736 40 5 JJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)c(C)c1 ZINC000014831614 555840571 /nfs/dbraw/zinc/84/05/71/555840571.db2.gz VTZHGLQFMPKPKH-MKMNVTDBSA-N 0 0 451.504 4.664 40 5 JJBBRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 ZINC000015422523 555908121 /nfs/dbraw/zinc/90/81/21/555908121.db2.gz ACCZNGYRWLRFDF-UHFFFAOYSA-N 0 0 475.910 4.700 40 5 JJBBRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc2ccccc2c1 ZINC000022278869 555916785 /nfs/dbraw/zinc/91/67/85/555916785.db2.gz DLHUTXSEKAITED-UHFFFAOYSA-N 0 0 461.499 4.582 40 5 JJBBRN COc1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1N1C(=O)c2ccccc2C1=O ZINC000022714067 555946895 /nfs/dbraw/zinc/94/68/95/555946895.db2.gz FTLZBPWCADRJDW-YRNVUSSQSA-N 0 0 477.860 4.709 40 5 JJBBRN COc1c(Br)cc(Br)cc1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000022744991 555950513 /nfs/dbraw/zinc/95/05/13/555950513.db2.gz MKYGAIRKWVCARU-UHFFFAOYSA-N 0 0 487.129 4.990 40 5 JJBBRN CC(=O)N1C[C@@H](C(=O)Nc2c3ccccc3n3c2c2ccccc2nc3C)Oc2ccccc21 ZINC000024478947 556132080 /nfs/dbraw/zinc/13/20/80/556132080.db2.gz NDIXGDSQUWQXGX-DEOSSOPVSA-N 0 0 450.498 4.702 40 5 JJBBRN O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000016401077 556138030 /nfs/dbraw/zinc/13/80/30/556138030.db2.gz RQKQLDXDUDXULT-UHFFFAOYSA-N 0 0 492.404 4.869 40 5 JJBBRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)COc4ccccc4[N+](=O)[O-])ccc3o2)cc1 ZINC000016691971 556153091 /nfs/dbraw/zinc/15/30/91/556153091.db2.gz CQDCGHUZLQINRG-UHFFFAOYSA-N 0 0 492.513 4.694 40 5 JJBBRN O=[N+]([O-])c1cccc(-c2csc(NN=C3NCC(=Cc4ccc5c(c4)OCO5)S3)n2)c1 ZINC000017221856 556242858 /nfs/dbraw/zinc/24/28/58/556242858.db2.gz YBYARWBVEFMVNB-GIDUJCDVSA-N 0 0 453.505 4.507 40 5 JJBBRN CSc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C(=O)N1CCC(C)CC1 ZINC000026119413 556248585 /nfs/dbraw/zinc/24/85/85/556248585.db2.gz VJDKFUGTYDFOAD-UHFFFAOYSA-N 0 0 483.999 4.643 40 5 JJBBRN O=C(c1cc2sccc2n1Cc1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000013083094 556278811 /nfs/dbraw/zinc/27/88/11/556278811.db2.gz BQHOSJRJHPDZGJ-UHFFFAOYSA-N 0 0 464.522 4.761 40 5 JJBBRN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000027825756 556308463 /nfs/dbraw/zinc/30/84/63/556308463.db2.gz QTBTYENCOSFLMB-UHFFFAOYSA-N 0 0 482.290 4.525 40 5 JJBBRN O=C(OCc1ccccc1)C1=CNC=C(C(=O)OCc2ccccc2)C1c1cccc([N+](=O)[O-])c1 ZINC000019418940 556347819 /nfs/dbraw/zinc/34/78/19/556347819.db2.gz GMDAPUBOFJXRMO-UHFFFAOYSA-N 0 0 470.481 4.536 40 5 JJBBRN CCOC(=O)[C@H]1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000019820571 556390239 /nfs/dbraw/zinc/39/02/39/556390239.db2.gz GHLHCNTYFJXKOP-RPWUZVMVSA-N 0 0 484.512 4.568 40 5 JJBBRN CCCCC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1OC ZINC000032114903 556421627 /nfs/dbraw/zinc/42/16/27/556421627.db2.gz SVTXIAQIQREBJZ-UHFFFAOYSA-N 0 0 450.289 4.747 40 5 JJBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1 ZINC000032125236 556429125 /nfs/dbraw/zinc/42/91/25/556429125.db2.gz ZYDUXOFXVLDGCW-ACCUITESSA-N 0 0 490.947 4.863 40 5 JJBBRN Cc1ccc(-c2nc(NC(=O)COc3ccc([N+](=O)[O-])cc3)sc2NC(=O)c2ccco2)cc1 ZINC000032624638 556454596 /nfs/dbraw/zinc/45/45/96/556454596.db2.gz WXBLVFKGAYVVOQ-UHFFFAOYSA-N 0 0 478.486 4.890 40 5 JJBBRN O=C(OCCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1cccc2ccccc21 ZINC000055398859 569591784 /nfs/dbraw/zinc/59/17/84/569591784.db2.gz GHHQUFWWJHZDAI-UHFFFAOYSA-N 0 0 473.451 4.746 40 5 JJBBRN O=C(NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000057328151 569598784 /nfs/dbraw/zinc/59/87/84/569598784.db2.gz BHWHDJKMHNLUNA-UHFFFAOYSA-N 0 0 499.508 4.863 40 5 JJBBRN O=C(Oc1cccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000059502972 569606233 /nfs/dbraw/zinc/60/62/33/569606233.db2.gz XKSQGCPUWJIJLJ-KEBDBYFISA-N 0 0 491.437 4.963 40 5 JJBBRN Cc1cc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc(C)c1Cl ZINC000033736392 569632730 /nfs/dbraw/zinc/63/27/30/569632730.db2.gz OMVMEWHJLJYNRC-UHFFFAOYSA-N 0 0 487.000 4.583 40 5 JJBBRN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1cccc2c(Cl)cccc12 ZINC000034859949 569667791 /nfs/dbraw/zinc/66/77/91/569667791.db2.gz VNUWOFCOMZGFOR-UHFFFAOYSA-N 0 0 489.384 4.892 40 5 JJBBRN CC[C@@H](C)c1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1 ZINC000034887919 569669096 /nfs/dbraw/zinc/66/90/96/569669096.db2.gz GXVXYUGKHUNVJE-OAQYLSRUSA-N 0 0 480.609 4.826 40 5 JJBBRN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 ZINC000034931166 569673622 /nfs/dbraw/zinc/67/36/22/569673622.db2.gz RPOAVKSMTLGPDW-UHFFFAOYSA-N 0 0 479.356 4.613 40 5 JJBBRN CCOC(=O)C1=C(c2ccccc2)NC(c2ccccc2)=C(C(=O)OCC)C1c1ccc([N+](=O)[O-])o1 ZINC000035181714 569677661 /nfs/dbraw/zinc/67/76/61/569677661.db2.gz HYDVRECQGQDNGN-UHFFFAOYSA-N 0 0 488.496 4.823 40 5 JJBBRN CCN1CCN(c2cc(NC(=O)c3ccc(Cl)cc3Cl)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229373 569700649 /nfs/dbraw/zinc/70/06/49/569700649.db2.gz BSHIILUSZWSHCG-UHFFFAOYSA-N 0 0 457.745 4.949 40 5 JJBBRN O=C(c1ccc(F)cc1)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000035851526 569716345 /nfs/dbraw/zinc/71/63/45/569716345.db2.gz DICDTGNVYWHHSF-ICLZECGLSA-N 0 0 489.528 4.553 40 5 JJBBRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)cc1 ZINC000101205777 569787080 /nfs/dbraw/zinc/78/70/80/569787080.db2.gz XFPFRSWGFYOUEZ-BDTNDASRSA-N 0 0 463.877 4.608 40 5 JJBBRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 ZINC000101231770 569787646 /nfs/dbraw/zinc/78/76/46/569787646.db2.gz JUJYJBMCGMULIJ-FKBYEOEOSA-N 0 0 463.877 4.608 40 5 JJBBRN O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000039747648 569811266 /nfs/dbraw/zinc/81/12/66/569811266.db2.gz BJPUQKUGEPMQKY-UHFFFAOYSA-N 0 0 490.457 4.526 40 5 JJBBRN O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000039755940 569811399 /nfs/dbraw/zinc/81/13/99/569811399.db2.gz GWSAHNZZPRCBMZ-NTCAYCPXSA-N 0 0 456.414 4.516 40 5 JJBBRN O=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000039759463 569811493 /nfs/dbraw/zinc/81/14/93/569811493.db2.gz WZYHOJKNYLLZLM-UHFFFAOYSA-N 0 0 459.487 4.547 40 5 JJBBRN Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)c2)s1 ZINC000039768369 569811944 /nfs/dbraw/zinc/81/19/44/569811944.db2.gz GGUAOMSOGWMNBK-UHFFFAOYSA-N 0 0 465.516 4.988 40 5 JJBBRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc4ccccc43)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000102707745 569816867 /nfs/dbraw/zinc/81/68/67/569816867.db2.gz HXXMZGFZVHQYJX-SDHOMARFSA-N 0 0 465.465 4.799 40 5 JJBBRN O=C1[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)N(c3ccccc3)O[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102733486 569818479 /nfs/dbraw/zinc/81/84/79/569818479.db2.gz BNRPMTUMQDZPAK-HKBOAZHASA-N 0 0 484.295 4.953 40 5 JJBBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccc(OC(F)(F)F)cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000102759796 569821724 /nfs/dbraw/zinc/82/17/24/569821724.db2.gz JQULETKQGCNLTD-NJYVYQBISA-N 0 0 499.401 4.545 40 5 JJBBRN O=C(c1ccccc1)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000102773120 569823522 /nfs/dbraw/zinc/82/35/22/569823522.db2.gz IQEGCBKLGKPGQO-ZGXDEKTJSA-N 0 0 489.528 4.553 40 5 JJBBRN O=C(C1=C2C(O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12)c1ccccc1 ZINC000103953677 569839526 /nfs/dbraw/zinc/83/95/26/569839526.db2.gz PKPFHGIUQUSLQN-XQUALCHDSA-N 0 0 499.910 4.647 40 5 JJBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000106715845 569854992 /nfs/dbraw/zinc/85/49/92/569854992.db2.gz VSINZZUVVPAMFR-ODLFYWEKSA-N 0 0 494.356 4.975 40 5 JJBBRN O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000106727066 569855150 /nfs/dbraw/zinc/85/51/50/569855150.db2.gz XLAWVCZENHBTRQ-NVNXTCNLSA-N 0 0 464.253 4.502 40 5 JJBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c(Br)cc1O ZINC000106729187 569855253 /nfs/dbraw/zinc/85/52/53/569855253.db2.gz DCHYFSYHJFIANJ-IUXPMGMMSA-N 0 0 479.308 4.698 40 5 JJBBRN O=C(c1ccccc1Cl)N(Cc1ccccc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000138983436 569866769 /nfs/dbraw/zinc/86/67/69/569866769.db2.gz BCHQCENXQCMTEC-UHFFFAOYSA-N 0 0 470.268 4.755 40 5 JJBBRN COC(=O)CN1C(=O)S/C(=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O ZINC000205774623 569874269 /nfs/dbraw/zinc/87/42/69/569874269.db2.gz AWOFUAYAFXLWMG-LZYBPNLTSA-N 0 0 482.392 4.615 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)o1 ZINC000214658496 569876883 /nfs/dbraw/zinc/87/68/83/569876883.db2.gz BRJNSXBYMAGEMT-UDWIEESQSA-N 0 0 479.470 4.538 40 5 JJBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OC ZINC000215027363 569877138 /nfs/dbraw/zinc/87/71/38/569877138.db2.gz CQWZGDAJLAGPLE-CXUHLZMHSA-N 0 0 479.308 4.611 40 5 JJBBRN Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222553915 569885687 /nfs/dbraw/zinc/88/56/87/569885687.db2.gz DORPNILOBHRYCV-MHZLTWQESA-N 0 0 487.600 4.858 40 5 JJBBRN Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222553977 569885721 /nfs/dbraw/zinc/88/57/21/569885721.db2.gz DORPNILOBHRYCV-HHHXNRCGSA-N 0 0 487.600 4.858 40 5 JJBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223286176 569906211 /nfs/dbraw/zinc/90/62/11/569906211.db2.gz KREDDLKPLHADCJ-IBGZPJMESA-N 0 0 484.405 4.688 40 5 JJBBRN CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223379892 569909362 /nfs/dbraw/zinc/90/93/62/569909362.db2.gz JHIHXYXWIWMZDA-OAHLLOKOSA-N 0 0 466.365 4.778 40 5 JJBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 ZINC000223397399 569909837 /nfs/dbraw/zinc/90/98/37/569909837.db2.gz FJFDKKXUONOVLI-BJKOFHAPSA-N 0 0 455.543 4.953 40 5 JJBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223406920 569910204 /nfs/dbraw/zinc/91/02/04/569910204.db2.gz LDJPKZDLFPRQCJ-OAQYLSRUSA-N 0 0 475.586 4.689 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)o1 ZINC000223478520 569912665 /nfs/dbraw/zinc/91/26/65/569912665.db2.gz UETXZHPFEQSRNL-BJKOFHAPSA-N 0 0 487.541 4.826 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)o1 ZINC000223478474 569912711 /nfs/dbraw/zinc/91/27/11/569912711.db2.gz UETXZHPFEQSRNL-RPWUZVMVSA-N 0 0 487.541 4.826 40 5 JJBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc2c3c(cccc31)CC2 ZINC000223527023 569914593 /nfs/dbraw/zinc/91/45/93/569914593.db2.gz NADRVDHTESLAFX-UHFFFAOYSA-N 0 0 487.537 4.681 40 5 JJBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1 ZINC000223870410 569925729 /nfs/dbraw/zinc/92/57/29/569925729.db2.gz XDQIFGTVSVDHSN-GOTSBHOMSA-N 0 0 457.515 4.663 40 5 JJBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223905451 569926811 /nfs/dbraw/zinc/92/68/11/569926811.db2.gz XHPYZYVHBLWBHV-OAHLLOKOSA-N 0 0 478.376 4.920 40 5 JJBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)cc1 ZINC000224026406 569931078 /nfs/dbraw/zinc/93/10/78/569931078.db2.gz YJBXQHFWLBWZNV-ZEQRLZLVSA-N 0 0 485.525 4.686 40 5 JJBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224246919 569937998 /nfs/dbraw/zinc/93/79/98/569937998.db2.gz MKDDJNGTCZGMIL-RUZDIDTESA-N 0 0 493.991 4.957 40 5 JJBBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 ZINC000224542757 569947752 /nfs/dbraw/zinc/94/77/52/569947752.db2.gz SCMCDXFAVUMZIU-ZEQRLZLVSA-N 0 0 471.542 4.966 40 5 JJBBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000224543028 569947784 /nfs/dbraw/zinc/94/77/84/569947784.db2.gz SCBALUMRGIJNRM-RPWUZVMVSA-N 0 0 471.542 4.966 40 5 JJBBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000224578569 569949293 /nfs/dbraw/zinc/94/92/93/569949293.db2.gz ZYLSVSMLNBVQHW-DNQXCXABSA-N 0 0 471.542 4.966 40 5 JJBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1 ZINC000224614110 569950786 /nfs/dbraw/zinc/95/07/86/569950786.db2.gz KTWCBYQYVOWVOS-DHIUTWEWSA-N 0 0 457.515 4.663 40 5 JJBBRN Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H](Cc1ccccc1)C(=O)NC(C)C ZINC000224769621 569956896 /nfs/dbraw/zinc/95/68/96/569956896.db2.gz SWJVGLWNKPUCMT-AREMUKBSSA-N 0 0 473.573 4.610 40 5 JJBBRN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000408602548 569969578 /nfs/dbraw/zinc/96/95/78/569969578.db2.gz CJJYUWQPMKISFG-GQCTYLIASA-N 0 0 467.522 4.534 40 5 JJBBRN O=C(COc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1Br)Nc1ccccc1 ZINC000408603132 569969942 /nfs/dbraw/zinc/96/99/42/569969942.db2.gz AVJSONTTWIDWJA-UHFFFAOYSA-N 0 0 456.296 4.987 40 5 JJBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225101024 569975220 /nfs/dbraw/zinc/97/52/20/569975220.db2.gz KWTSGEPKUNNEBG-HSZRJFAPSA-N 0 0 451.567 4.702 40 5 JJBBRN CCCOc1c(I)cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OCC ZINC000408618300 569976632 /nfs/dbraw/zinc/97/66/32/569976632.db2.gz FYZWBRBYIBACOP-UHFFFAOYSA-N 0 0 484.290 4.948 40 5 JJBBRN CCCOc1c(I)cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000408618769 569976880 /nfs/dbraw/zinc/97/68/80/569976880.db2.gz GKMMGXOSOSDGIG-UHFFFAOYSA-N 0 0 470.263 4.558 40 5 JJBBRN CCOc1cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(I)c1OCC ZINC000408620148 569977534 /nfs/dbraw/zinc/97/75/34/569977534.db2.gz KPUDNUNNHWXOAY-UHFFFAOYSA-N 0 0 470.263 4.558 40 5 JJBBRN O=C1[C@H]2[C@H](C(=O)N1c1cccc(Cl)c1Cl)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000408623616 569979385 /nfs/dbraw/zinc/97/93/85/569979385.db2.gz RIVPLFWAMZGSRH-NCMKUFGYSA-N 0 0 465.292 4.778 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225173901 569980268 /nfs/dbraw/zinc/98/02/68/569980268.db2.gz NLKSAQQZYSLBPS-IAGOWNOFSA-N 0 0 478.014 4.813 40 5 JJBBRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl)Nc1cccc([N+](=O)[O-])c1 ZINC000408636274 569986554 /nfs/dbraw/zinc/98/65/54/569986554.db2.gz NFPIIRAXODDESF-UHFFFAOYSA-N 0 0 496.328 4.720 40 5 JJBBRN Cc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)c(Br)cc3C)CC2=O)cc1[N+](=O)[O-] ZINC000408639402 569988299 /nfs/dbraw/zinc/98/82/99/569988299.db2.gz FZVNFBWUICDABB-LBPRGKRZSA-N 0 0 466.719 4.619 40 5 JJBBRN CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225335855 569991166 /nfs/dbraw/zinc/99/11/66/569991166.db2.gz TVGPNINJKMDYFW-IBGZPJMESA-N 0 0 466.365 4.778 40 5 JJBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408649483 569993231 /nfs/dbraw/zinc/99/32/31/569993231.db2.gz DPTHZRGXNSZFHU-TUUBTQOTSA-N 0 0 465.292 4.692 40 5 JJBBRN Cc1cccc(C)c1N1C[C@@H](C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)CC1=O ZINC000408657541 569998341 /nfs/dbraw/zinc/99/83/41/569998341.db2.gz UMRYCCOORQPNHY-FQEVSTJZSA-N 0 0 488.496 4.783 40 5 JJBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1ccc(Cl)cc1 ZINC000408658387 569998884 /nfs/dbraw/zinc/99/88/84/569998884.db2.gz VACPOCJPCQJTLS-IBGZPJMESA-N 0 0 478.888 4.694 40 5 JJBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225490881 569999510 /nfs/dbraw/zinc/99/95/10/569999510.db2.gz RNOLRRURXLXHGC-AREMUKBSSA-N 0 0 491.563 4.833 40 5 JJBBRN O=C1[C@H]2[C@H](C(=O)N1c1cc([N+](=O)[O-])ccc1F)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408661328 570000823 /nfs/dbraw/zinc/00/08/23/570000823.db2.gz QPBTVWWOONYKHU-LMHXZZLNSA-N 0 0 483.282 4.832 40 5 JJBBRN Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000408661241 570000886 /nfs/dbraw/zinc/00/08/86/570000886.db2.gz BOCNDHKWAWZQPD-UHFFFAOYSA-N 0 0 468.293 4.501 40 5 JJBBRN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2)n1)c1cc([N+](=O)[O-])ccc1Br ZINC000408674802 570009502 /nfs/dbraw/zinc/00/95/02/570009502.db2.gz HYBLZHTZVGADBQ-UHFFFAOYSA-N 0 0 453.705 4.771 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C ZINC000408679164 570011585 /nfs/dbraw/zinc/01/15/85/570011585.db2.gz VFEMYHVPSNATDZ-UHFFFAOYSA-N 0 0 489.937 4.683 40 5 JJBBRN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc(Cl)cc2)C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000408682510 570012921 /nfs/dbraw/zinc/01/29/21/570012921.db2.gz JKAAPBOFCHAGPM-JOCHJYFZSA-N 0 0 471.918 4.855 40 5 JJBBRN CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225658947 570012981 /nfs/dbraw/zinc/01/29/81/570012981.db2.gz CNTWBXUZIXSGLD-KRWDZBQOSA-N 0 0 478.014 4.671 40 5 JJBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3Cl)C(=O)[C@@H]21 ZINC000408684271 570013486 /nfs/dbraw/zinc/01/34/86/570013486.db2.gz NFGRCJVDQHPFDH-YXKFXFPPSA-N 0 0 488.327 4.656 40 5 JJBBRN C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000408685679 570013914 /nfs/dbraw/zinc/01/39/14/570013914.db2.gz PXTILKMHWSTYPL-UPRAQXHNSA-N 0 0 490.343 4.880 40 5 JJBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000408686313 570014043 /nfs/dbraw/zinc/01/40/43/570014043.db2.gz RMOBQWIQVZNIEU-JEBQAFNWSA-N 0 0 490.343 4.880 40 5 JJBBRN Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccccc2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]21 ZINC000408730495 570029050 /nfs/dbraw/zinc/02/90/50/570029050.db2.gz GRACRZGYACRUJA-XTKIHQQCSA-N 0 0 494.503 4.733 40 5 JJBBRN CCOC(=O)C1=C(C)NC(SC)=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408732768 570029627 /nfs/dbraw/zinc/02/96/27/570029627.db2.gz YOXBWYRLKGKZGG-JOCHJYFZSA-N 0 0 485.562 4.773 40 5 JJBBRN Cc1cc(F)ccc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 ZINC000408736754 570030552 /nfs/dbraw/zinc/03/05/52/570030552.db2.gz GXRRNJXZDFKNGQ-QFIPXVFZSA-N 0 0 451.454 4.519 40 5 JJBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])o3)S2)cc1 ZINC000408773203 570039398 /nfs/dbraw/zinc/03/93/98/570039398.db2.gz HIHXPEGPPUYYSC-AFHVAHMMSA-N 0 0 466.475 4.925 40 5 JJBBRN CCOc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000408839155 570053427 /nfs/dbraw/zinc/05/34/27/570053427.db2.gz NXQLUEIDNRQTHX-KGENOOAVSA-N 0 0 472.453 4.866 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)o1 ZINC000408869098 570059059 /nfs/dbraw/zinc/05/90/59/570059059.db2.gz PGQRNTVPCJLJIU-JAIQZWGSSA-N 0 0 481.461 4.977 40 5 JJBBRN CC1=NN(c2ccccc2)C(=O)[C@@]12[C@H](c1ccc([N+](=O)[O-])cc1)[C@@]21C(C)=NN(c2ccccc2)C1=O ZINC000248071859 570073567 /nfs/dbraw/zinc/07/35/67/570073567.db2.gz YTKVKPSZZLYYEO-JNMKDEPVSA-N 0 0 479.496 4.510 40 5 JJBBRN O=C1[C@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000408918276 570076175 /nfs/dbraw/zinc/07/61/75/570076175.db2.gz IIGLHPCOQPGXFW-ISQHLFTMSA-N 0 0 465.292 4.995 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2(Br)c2ccccc21 ZINC000408919077 570076535 /nfs/dbraw/zinc/07/65/35/570076535.db2.gz SJFHQIXWCNHKHI-ZKKFKWFVSA-N 0 0 489.325 4.806 40 5 JJBBRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1[N+](=O)[O-] ZINC000408922645 570077643 /nfs/dbraw/zinc/07/76/43/570077643.db2.gz PXGUCINKZKQSBP-UHFFFAOYSA-N 0 0 479.436 4.975 40 5 JJBBRN O=C1N/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000408933674 570080777 /nfs/dbraw/zinc/08/07/77/570080777.db2.gz JWYQBKILNNABTL-ODLFYWEKSA-N 0 0 450.838 4.528 40 5 JJBBRN CCN(CC)C(=O)[C@@H]1CCCN(C(=S)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)C1 ZINC000408977773 570090384 /nfs/dbraw/zinc/09/03/84/570090384.db2.gz YANZSIVTNNUMHC-MRXNPFEDSA-N 0 0 460.607 4.542 40 5 JJBBRN CCOc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408984256 570091754 /nfs/dbraw/zinc/09/17/54/570091754.db2.gz IKQVALDJQYVOMA-STZFKDTASA-N 0 0 472.453 4.866 40 5 JJBBRN Cc1sc2nc(-c3ccc(Sc4nnnn4-c4ccccc4)c([N+](=O)[O-])c3)[nH]c(=O)c2c1C ZINC000408991132 570094073 /nfs/dbraw/zinc/09/40/73/570094073.db2.gz MXLVRTMICXMGQO-UHFFFAOYSA-N 0 0 477.531 4.716 40 5 JJBBRN COc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 ZINC000409004090 570097346 /nfs/dbraw/zinc/09/73/46/570097346.db2.gz WMMINDGJSMPWLV-NRFANRHFSA-N 0 0 483.908 4.733 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccc3ccccc3c2)o1 ZINC000409008520 570098749 /nfs/dbraw/zinc/09/87/49/570098749.db2.gz ZNVTUPNKXNROAQ-UHFFFAOYSA-N 0 0 450.476 4.749 40 5 JJBBRN CCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)c(OC)c3)C(=O)O2)cc1 ZINC000409008989 570098838 /nfs/dbraw/zinc/09/88/38/570098838.db2.gz QDBXAVHAXIDEEC-BKUYFWCQSA-N 0 0 488.452 4.566 40 5 JJBBRN O=C1N/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N1Cc1ccc(F)cc1 ZINC000409018998 570102405 /nfs/dbraw/zinc/10/24/05/570102405.db2.gz ZWWGAHRDPWOBOS-YDZHTSKRSA-N 0 0 470.460 4.830 40 5 JJBBRN CC(C)c1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 ZINC000409028697 570105292 /nfs/dbraw/zinc/10/52/92/570105292.db2.gz QKTPERVADSQTFH-UHFFFAOYSA-N 0 0 453.520 4.552 40 5 JJBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2C)cc1 ZINC000409029109 570105517 /nfs/dbraw/zinc/10/55/17/570105517.db2.gz WDPRGPDTUMLJHI-UHFFFAOYSA-N 0 0 473.938 4.699 40 5 JJBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C1=O ZINC000409066909 570116806 /nfs/dbraw/zinc/11/68/06/570116806.db2.gz DDBBYLRZAZJCDE-NSMHLIOHSA-N 0 0 492.509 4.925 40 5 JJBBRN CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409129257 570139468 /nfs/dbraw/zinc/13/94/68/570139468.db2.gz GBSPNYGMGWRRFE-UHFFFAOYSA-N 0 0 466.548 4.728 40 5 JJBBRN Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4cccc([N+](=O)[O-])c4)n3C)n2)cc1 ZINC000409144730 570146253 /nfs/dbraw/zinc/14/62/53/570146253.db2.gz OTZLRRCMFICTQP-UHFFFAOYSA-N 0 0 466.548 4.553 40 5 JJBBRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2CC)cc1 ZINC000409152549 570149526 /nfs/dbraw/zinc/14/95/26/570149526.db2.gz FOZHNNNSVYUYIL-INIZCTEOSA-N 0 0 469.567 4.948 40 5 JJBBRN Cc1ccc(NC(=O)CSc2nnc([C@H](C)Oc3ccccc3Cl)n2C)cc1[N+](=O)[O-] ZINC000409157630 570151042 /nfs/dbraw/zinc/15/10/42/570151042.db2.gz RIMBRONJBXMARS-ZDUSSCGKSA-N 0 0 461.931 4.556 40 5 JJBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000409165605 570153188 /nfs/dbraw/zinc/15/31/88/570153188.db2.gz AFPRUTPHZQRPGK-MOSHPQCFSA-N 0 0 494.554 4.782 40 5 JJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1Cl ZINC000409174974 570156519 /nfs/dbraw/zinc/15/65/19/570156519.db2.gz WWYOWYNQCNBCGV-UHFFFAOYSA-N 0 0 459.911 4.539 40 5 JJBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)cc1[N+](=O)[O-])C1(Br)c3ccccc3C2c2ccccc21 ZINC000409177104 570157394 /nfs/dbraw/zinc/15/73/94/570157394.db2.gz ARHYCBXBCDFPAE-YQORSWRPSA-N 0 0 493.288 4.637 40 5 JJBBRN COc1ccc(NC(=O)CCC(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c([N+](=O)[O-])c1 ZINC000409179539 570158472 /nfs/dbraw/zinc/15/84/72/570158472.db2.gz PUXLIWXMFDTSLV-UHFFFAOYSA-N 0 0 495.444 4.766 40 5 JJBBRN O=C(Nc1cccc(Cl)c1Cl)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409180039 570158636 /nfs/dbraw/zinc/15/86/36/570158636.db2.gz VPPDBIHLZPDLCJ-UHFFFAOYSA-N 0 0 451.287 4.987 40 5 JJBBRN COc1ccc(Cl)cc1C1=N/C(=C\c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000409189150 570161344 /nfs/dbraw/zinc/16/13/44/570161344.db2.gz DJKXBEVNGHKMGA-UNOMPAQXSA-N 0 0 478.844 4.821 40 5 JJBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)cc1 ZINC000409199973 570164867 /nfs/dbraw/zinc/16/48/67/570164867.db2.gz GEDSGEXODYFURZ-NDENLUEZSA-N 0 0 490.497 4.766 40 5 JJBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)cc1 ZINC000409208195 570168023 /nfs/dbraw/zinc/16/80/23/570168023.db2.gz AECIBNFEHURFSJ-APSNUPSMSA-N 0 0 466.302 4.885 40 5 JJBBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O ZINC000409209713 570169001 /nfs/dbraw/zinc/16/90/01/570169001.db2.gz HYWLVVDOEIUWRU-SXGWCWSVSA-N 0 0 490.335 4.649 40 5 JJBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O ZINC000409212506 570170535 /nfs/dbraw/zinc/17/05/35/570170535.db2.gz MUTLULFSNFFPFE-DTQASYIRSA-N 0 0 464.883 4.886 40 5 JJBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409212915 570170791 /nfs/dbraw/zinc/17/07/91/570170791.db2.gz SEFAOVFUMOVDBJ-VIZOYTHASA-N 0 0 496.726 4.686 40 5 JJBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O ZINC000409213107 570170916 /nfs/dbraw/zinc/17/09/16/570170916.db2.gz SIGYTWMVATXQRG-LICLKQGHSA-N 0 0 464.883 4.888 40 5 JJBBRN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)N1CCc2ccccc2C1 ZINC000409214671 570171805 /nfs/dbraw/zinc/17/18/05/570171805.db2.gz ZOOZMYHSKGZDOH-LSCVHKIXSA-N 0 0 492.340 4.523 40 5 JJBBRN CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409228125 570176601 /nfs/dbraw/zinc/17/66/01/570176601.db2.gz UKHYNTVKHJRNJU-KGENOOAVSA-N 0 0 472.519 4.645 40 5 JJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1Cl ZINC000409241337 570182104 /nfs/dbraw/zinc/18/21/04/570182104.db2.gz RIKYJIFXPGXNEJ-OVCLIPMQSA-N 0 0 452.275 4.577 40 5 JJBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409247959 570184932 /nfs/dbraw/zinc/18/49/32/570184932.db2.gz FHCBCCUHSSIMTG-CIAFOILYSA-N 0 0 493.903 4.929 40 5 JJBBRN CCN(CC)c1ccc(N2C(=O)c3cccc4c3c(cc([N+](=O)[O-])c4N3CCCC3)C2=O)cc1 ZINC000408535117 570189737 /nfs/dbraw/zinc/18/97/37/570189737.db2.gz XPWBNKCJBZAKDA-UHFFFAOYSA-N 0 0 458.518 4.995 40 5 JJBBRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2C)cc1C ZINC000408546545 570193412 /nfs/dbraw/zinc/19/34/12/570193412.db2.gz FDXDKBJKASNROB-UHFFFAOYSA-N 0 0 453.520 4.882 40 5 JJBBRN COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408553450 570195753 /nfs/dbraw/zinc/19/57/53/570195753.db2.gz WNICYNOAFKRQSM-UHFFFAOYSA-N 0 0 475.910 4.618 40 5 JJBBRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408563476 570202233 /nfs/dbraw/zinc/20/22/33/570202233.db2.gz NFMDHHQOHGIFQB-CPNJWEJPSA-N 0 0 462.458 4.578 40 5 JJBBRN CCOc1ccc(Br)cc1C=C1SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409328407 570203022 /nfs/dbraw/zinc/20/30/22/570203022.db2.gz UNTVURVSQNCHSN-VCHYOVAHSA-N 0 0 491.319 4.675 40 5 JJBBRN CCOc1c(Br)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1OC ZINC000408565960 570203652 /nfs/dbraw/zinc/20/36/52/570203652.db2.gz DKRYPRDOXWYZNV-GOSISDBHSA-N 0 0 493.383 4.856 40 5 JJBBRN CN1C[C@H](c2ccc(OCc3ccccc3F)c(Cl)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408566221 570203779 /nfs/dbraw/zinc/20/37/79/570203779.db2.gz NHLBAOJETZZZMU-WQWSHVPRSA-N 0 0 481.911 4.580 40 5 JJBBRN COc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1Br ZINC000408571799 570204818 /nfs/dbraw/zinc/20/48/18/570204818.db2.gz PNQRVPPRJNHKDN-QGZVFWFLSA-N 0 0 467.320 4.596 40 5 JJBBRN Cc1c(NC(=O)CCc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000408584183 570207450 /nfs/dbraw/zinc/20/74/50/570207450.db2.gz MSXXHZTYIXORKA-SFHVURJKSA-N 0 0 467.547 4.514 40 5 JJBBRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(C)c(C)c1 ZINC000408586257 570208106 /nfs/dbraw/zinc/20/81/06/570208106.db2.gz MIGVDDCTXGSONS-UHFFFAOYSA-N 0 0 497.573 4.671 40 5 JJBBRN COc1cccc(OC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1 ZINC000000888304 193950126 /nfs/dbraw/zinc/95/01/26/193950126.db2.gz HYIRHSPDNWHCLM-UHFFFAOYSA-N 0 0 462.487 4.549 40 5 JJBBRN O=C(NN1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000001439730 194120918 /nfs/dbraw/zinc/12/09/18/194120918.db2.gz QEGFNQQLUSHDGK-IBGZPJMESA-N 0 0 457.273 4.813 40 5 JJBBRN O=c1nc2c3cccc4cccc(c(=O)n2c2cc(N5C(=O)c6cccc7cccc(c76)C5=O)ccc12)c43 ZINC000004015296 194369822 /nfs/dbraw/zinc/36/98/22/194369822.db2.gz DYZMCMICKZKVQB-UHFFFAOYSA-N 0 0 493.478 4.906 40 5 biogenic JJBBRN COc1c(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2C)cc2ccccc2c1Br ZINC000008833227 194487806 /nfs/dbraw/zinc/48/78/06/194487806.db2.gz OZGGGIWJIQTXHB-UHFFFAOYSA-N 0 0 474.336 4.954 40 5 JJBBRN O=C(/C=C/c1cccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1)N1CCN(c2ccccc2)CC1 ZINC000012849524 195153980 /nfs/dbraw/zinc/15/39/80/195153980.db2.gz IWTUAFQPPDXCMV-MDZDMXLPSA-N 0 0 474.473 4.657 40 5 JJBBRN O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1cccc2c(Br)cccc12 ZINC000020611796 195185984 /nfs/dbraw/zinc/18/59/84/195185984.db2.gz ICRWNUHZNMFJRX-UHFFFAOYSA-N 0 0 456.296 4.599 40 5 JJBBRN COc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)cc1 ZINC000020969899 195257438 /nfs/dbraw/zinc/25/74/38/195257438.db2.gz QVVMKZWALRBEFY-UHFFFAOYSA-N 0 0 474.473 4.501 40 5 JJBBRN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000020970302 195257731 /nfs/dbraw/zinc/25/77/31/195257731.db2.gz RLDZSOCNFOQVNV-HSZRJFAPSA-N 0 0 455.474 4.881 40 5 JJBBRN O=C(Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000021576158 195315134 /nfs/dbraw/zinc/31/51/34/195315134.db2.gz GXMRDXFOXWTLCS-UHFFFAOYSA-N 0 0 470.485 4.556 40 5 JJBBRN O=C(NC(=S)Nc1c2nsnc2ccc1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000059294092 195396846 /nfs/dbraw/zinc/39/68/46/195396846.db2.gz OUJWDDLLIWZPDY-UHFFFAOYSA-N 0 0 459.896 4.640 40 5 JJBBRN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@H]12 ZINC000059433400 195401757 /nfs/dbraw/zinc/40/17/57/195401757.db2.gz UQGXXJXBYVAYHD-ZOVQAKDCSA-N 0 0 454.482 4.564 40 5 JJBBRN CCCC[C@H](CC)CNC(=O)c1ccc(CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000224821614 195461623 /nfs/dbraw/zinc/46/16/23/195461623.db2.gz VIWBGAZSMLCVDL-SFHVURJKSA-N 0 0 461.584 4.507 40 5 JJBBRN CCCCOC(=O)c1ccc(C)c2oc3c(C)c(=O)c(NC(C)=O)c(C(=O)OCCCC)c-3nc12 ZINC000004974693 520720354 /nfs/dbraw/zinc/72/03/54/520720354.db2.gz KZAJHKQPWNTRHX-UHFFFAOYSA-N 0 0 482.533 4.782 40 5 JJBBRN COc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nnc2-c2ccccc2)cc1 ZINC000006194266 523322114 /nfs/dbraw/zinc/32/21/14/523322114.db2.gz QBEODXZCGXUIJN-UHFFFAOYSA-N 0 0 475.530 4.890 40 5 JJBBRN COc1ccc(NC(=S)NC(=O)C=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1Br ZINC000016226652 524665806 /nfs/dbraw/zinc/66/58/06/524665806.db2.gz AOGJVMRRRCICDO-XVNBXDOJSA-N 0 0 470.732 4.546 40 5 JJBBRN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000006280083 525897106 /nfs/dbraw/zinc/89/71/06/525897106.db2.gz CMSWKKMTWOUINC-UHFFFAOYSA-N 0 0 459.531 4.806 40 5 JJBBRN O=C(c1ccc(OCc2ccccc2)cc1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000016480362 526709842 /nfs/dbraw/zinc/70/98/42/526709842.db2.gz BWVDVYJEMAHHFA-UHFFFAOYSA-N 0 0 451.910 4.790 40 5 JJBBRN Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000012493730 527064726 /nfs/dbraw/zinc/06/47/26/527064726.db2.gz JNTRVSHHIGTPLA-UHFFFAOYSA-N 0 0 487.626 4.888 40 5 JJBBRN O=C(CSc1nnc(COc2ccccc2)o1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000019929068 527083552 /nfs/dbraw/zinc/08/35/52/527083552.db2.gz HIPMKCCSPDKWCT-UHFFFAOYSA-N 0 0 455.279 4.594 40 5 JJBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000020450586 527130784 /nfs/dbraw/zinc/13/07/84/527130784.db2.gz LFIVGZNGLRKWNQ-UHFFFAOYSA-N 0 0 466.302 4.955 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cccnc2)n1CCc1ccccc1 ZINC000000923633 553858250 /nfs/dbraw/zinc/85/82/50/553858250.db2.gz LUWJUKOQNBKPRU-UHFFFAOYSA-N 0 0 474.546 4.530 40 5 JJBBRN Cc1ccc(NCc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc1 ZINC000006245448 554521967 /nfs/dbraw/zinc/52/19/67/554521967.db2.gz VVKPWVHZHDIKFR-UHFFFAOYSA-N 0 0 474.546 4.827 40 5 JJBBRN COc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000006280137 554524280 /nfs/dbraw/zinc/52/42/80/554524280.db2.gz ACNKZACTUHESHA-UHFFFAOYSA-N 0 0 489.557 4.814 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1 ZINC000006906609 554561829 /nfs/dbraw/zinc/56/18/29/554561829.db2.gz GJQGDORGFMNLFR-UHFFFAOYSA-N 0 0 453.882 4.538 40 5 JJBBRN CC(C)COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1 ZINC000008831777 554723769 /nfs/dbraw/zinc/72/37/69/554723769.db2.gz IRQVNXYCWVFEIK-UHFFFAOYSA-N 0 0 466.582 4.582 40 5 JJBBRN O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008832054 554725050 /nfs/dbraw/zinc/72/50/50/554725050.db2.gz CWTPHMAORKTXBA-UHFFFAOYSA-N 0 0 460.515 4.960 40 5 JJBBRN Cc1ccccc1-c1nc2cc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)ccc2o1 ZINC000008832075 554725086 /nfs/dbraw/zinc/72/50/86/554725086.db2.gz NDGLFSCJRXREOY-UHFFFAOYSA-N 0 0 458.474 4.800 40 5 JJBBRN O=C(NC(=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1cccc2c(Cl)cccc12 ZINC000008832722 554727956 /nfs/dbraw/zinc/72/79/56/554727956.db2.gz WUMWPFRIBWDRRP-UHFFFAOYSA-N 0 0 489.384 4.892 40 5 JJBBRN COc1ccc(NC(=S)NC(=O)c2cc3ccccc3c(Br)c2OC)c([N+](=O)[O-])c1 ZINC000008833225 554730453 /nfs/dbraw/zinc/73/04/53/554730453.db2.gz HCKCCWCXTHSOEQ-UHFFFAOYSA-N 0 0 490.335 4.655 40 5 JJBBRN O=C(NC(=S)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccccc1[N+](=O)[O-] ZINC000008835476 554734651 /nfs/dbraw/zinc/73/46/51/554734651.db2.gz 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O=C1CSC(=O)N1[C@@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC000013587498 555524579 /nfs/dbraw/zinc/52/45/79/555524579.db2.gz VQEHBLGYANQWEA-NRFANRHFSA-N 0 0 463.515 4.732 40 5 in-vitro JJBBRN CCCCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccco4)c3)CC2)cc1 ZINC000013632899 555542790 /nfs/dbraw/zinc/54/27/90/555542790.db2.gz VZXPLFPYKZTVNR-UHFFFAOYSA-N 0 0 478.549 4.941 40 5 JJBBRN CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)o2)cc1 ZINC000019929218 555545904 /nfs/dbraw/zinc/54/59/04/555545904.db2.gz BVFAKZSPRMYXOQ-UHFFFAOYSA-N 0 0 482.305 4.641 40 5 JJBBRN CCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)cc1 ZINC000013803963 555622675 /nfs/dbraw/zinc/62/26/75/555622675.db2.gz DDQWRVUFIHYGNV-SDHOMARFSA-N 0 0 487.512 4.825 40 5 JJBBRN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000013842708 555632072 /nfs/dbraw/zinc/63/20/72/555632072.db2.gz XICQYQRZGQDDSY-UHFFFAOYSA-N 0 0 455.540 4.639 40 5 JJBBRN COc1cc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3o2)cc(OC)c1OC ZINC000010120219 555632587 /nfs/dbraw/zinc/63/25/87/555632587.db2.gz UJFKVUMIWWZSET-UHFFFAOYSA-N 0 0 463.446 4.990 40 5 JJBBRN COc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1-c1ccc(CO)o1 ZINC000020142667 555663855 /nfs/dbraw/zinc/66/38/55/555663855.db2.gz HMACJTMBZSYZKN-UHFFFAOYSA-N 0 0 465.506 4.844 40 5 JJBBRN CC1CCN(c2ccc(C(=O)NC(=S)Nc3ccc(-c4ccc(CO)o4)cc3)cc2[N+](=O)[O-])CC1 ZINC000020153123 555671581 /nfs/dbraw/zinc/67/15/81/555671581.db2.gz GCYWWYCRIMCJTQ-UHFFFAOYSA-N 0 0 494.573 4.710 40 5 JJBBRN CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000014117581 555693091 /nfs/dbraw/zinc/69/30/91/555693091.db2.gz ZHOTYUHSVPQNMB-UHFFFAOYSA-N 0 0 475.958 4.786 40 5 JJBBRN COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000010372886 555700528 /nfs/dbraw/zinc/70/05/28/555700528.db2.gz WFIWGNGBZCCPHV-UHFFFAOYSA-N 0 0 478.534 4.529 40 5 JJBBRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2C)c1 ZINC000014155407 555713791 /nfs/dbraw/zinc/71/37/91/555713791.db2.gz WULCDQNXQPAHTJ-UHFFFAOYSA-N 0 0 453.520 4.882 40 5 JJBBRN COc1ccc(-c2csc(NC(=O)COc3ccccc3[N+](=O)[O-])n2)cc1Br ZINC000010553672 555726729 /nfs/dbraw/zinc/72/67/29/555726729.db2.gz KJYLJCGVYBXPCK-UHFFFAOYSA-N 0 0 464.297 4.507 40 5 JJBBRN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])cc3O)nc2c1 ZINC000014270204 555761452 /nfs/dbraw/zinc/76/14/52/555761452.db2.gz LXROLYXTGNVJFF-UHFFFAOYSA-N 0 0 462.487 4.798 40 5 JJBBRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)ccc3O)nc2c1 ZINC000014270303 555762264 /nfs/dbraw/zinc/76/22/64/555762264.db2.gz IUIZJYYTQNKMJV-UHFFFAOYSA-N 0 0 462.487 4.798 40 5 JJBBRN CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000014271122 555764908 /nfs/dbraw/zinc/76/49/08/555764908.db2.gz QKTZVMZSHWAVGF-UHFFFAOYSA-N 0 0 469.611 4.867 40 5 JJBBRN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000014271299 555765731 /nfs/dbraw/zinc/76/57/31/555765731.db2.gz FUJFHLZUYQMUQZ-UHFFFAOYSA-N 0 0 472.910 4.984 40 5 JJBBRN CC(C)c1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1 ZINC000014273754 555774525 /nfs/dbraw/zinc/77/45/25/555774525.db2.gz NCUPKCKCOXLXBG-UHFFFAOYSA-N 0 0 495.649 4.545 40 5 JJBBRN O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014274433 555776494 /nfs/dbraw/zinc/77/64/94/555776494.db2.gz NEGPEQLBZPJMEX-UHFFFAOYSA-N 0 0 489.768 4.518 40 5 JJBBRN COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000014274841 555778132 /nfs/dbraw/zinc/77/81/32/555778132.db2.gz LWFQLDBMFCYCTI-UHFFFAOYSA-N 0 0 478.299 4.785 40 5 JJBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c(O)c2)cc1[N+](=O)[O-] ZINC000014275017 555778938 /nfs/dbraw/zinc/77/89/38/555778938.db2.gz CHXAEIDFBPEIGP-UHFFFAOYSA-N 0 0 492.513 4.943 40 5 JJBBRN COc1c(Cl)cc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc1Cl ZINC000014275239 555780124 /nfs/dbraw/zinc/78/01/24/555780124.db2.gz UDJWFMBGRFNCPD-UHFFFAOYSA-N 0 0 479.139 4.800 40 5 JJBBRN O=C(NC(=S)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000014275752 555781673 /nfs/dbraw/zinc/78/16/73/555781673.db2.gz ZRFUBHVDUGHEMA-UHFFFAOYSA-N 0 0 498.318 4.687 40 5 JJBBRN O=C(COc1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000014277375 555785641 /nfs/dbraw/zinc/78/56/41/555785641.db2.gz CQALJOJPRFPZHI-UHFFFAOYSA-N 0 0 493.391 4.620 40 5 JJBBRN CCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000014279257 555790787 /nfs/dbraw/zinc/79/07/87/555790787.db2.gz WYXVKHRRWJICKF-XBXARRHUSA-N 0 0 477.348 4.612 40 5 JJBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)cc1[N+](=O)[O-] ZINC000020528416 555792379 /nfs/dbraw/zinc/79/23/79/555792379.db2.gz QKGKLYLUOBAIDK-UHFFFAOYSA-N 0 0 461.386 4.537 40 5 JJBBRN COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000014291355 555793111 /nfs/dbraw/zinc/79/31/11/555793111.db2.gz BMWLHSNIMCTHEQ-UHFFFAOYSA-N 0 0 476.474 4.590 40 5 JJBBRN CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000020528846 555793244 /nfs/dbraw/zinc/79/32/44/555793244.db2.gz LLGPBZMPLDYDFH-UHFFFAOYSA-N 0 0 488.972 4.594 40 5 JJBBRN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000020528885 555793530 /nfs/dbraw/zinc/79/35/30/555793530.db2.gz AJVNGJHPLGSXNH-UHFFFAOYSA-N 0 0 458.946 4.504 40 5 JJBBRN O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000020529028 555793763 /nfs/dbraw/zinc/79/37/63/555793763.db2.gz NNNXIBPOQHXTGP-UHFFFAOYSA-N 0 0 456.896 4.881 40 5 JJBBRN CCCCc1ccc(NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1 ZINC000014413687 555812988 /nfs/dbraw/zinc/81/29/88/555812988.db2.gz TZVKWNGTDBIFCC-UHFFFAOYSA-N 0 0 467.547 4.771 40 5 JJBBRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000021580581 555852504 /nfs/dbraw/zinc/85/25/04/555852504.db2.gz KFBXEUUQZQHXTC-UHFFFAOYSA-N 0 0 457.490 4.999 40 5 JJBBRN COc1c(Cl)cc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1Cl ZINC000022563818 555934877 /nfs/dbraw/zinc/93/48/77/555934877.db2.gz ILELNBRXJPCCLX-UHFFFAOYSA-N 0 0 457.320 4.647 40 5 JJBBRN Cc1ccc2nc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)oc2c1 ZINC000022565024 555935556 /nfs/dbraw/zinc/93/55/56/555935556.db2.gz NLJIOAARUYQZFE-UHFFFAOYSA-N 0 0 458.474 4.800 40 5 JJBBRN O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022567963 555936767 /nfs/dbraw/zinc/93/67/67/555936767.db2.gz UGRSXJUHEOLREC-UHFFFAOYSA-N 0 0 460.515 4.960 40 5 JJBBRN CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1-c1ccc(OC)cc1 ZINC000023554069 556078247 /nfs/dbraw/zinc/07/82/47/556078247.db2.gz LDDNLSFIWQCUJB-UHFFFAOYSA-N 0 0 496.574 4.736 40 5 JJBBRN O=C(C1=C2C(O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12)c1ccccc1 ZINC000016034830 556118602 /nfs/dbraw/zinc/11/86/02/556118602.db2.gz IFNNTLRWUOBOLE-CAUSLRQDSA-N 0 0 499.910 4.521 40 5 JJBBRN O=C(C=Cc1ccc(Cl)cc1)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000016400184 556137741 /nfs/dbraw/zinc/13/77/41/556137741.db2.gz HAFZNQIHERVGFB-FPYGCLRLSA-N 0 0 498.914 4.504 40 5 JJBBRN CCCCOc1cccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000016639309 556149399 /nfs/dbraw/zinc/14/93/99/556149399.db2.gz AHWROANKGMGCEO-UHFFFAOYSA-N 0 0 451.445 4.755 40 5 JJBBRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000016692053 556153474 /nfs/dbraw/zinc/15/34/74/556153474.db2.gz AHJICKPJQDYBIU-UHFFFAOYSA-N 0 0 462.487 4.929 40 5 JJBBRN Nc1nc(=O)n(CCCOc2ccc([N+](=O)[O-])c(Cl)c2)cc1-c1ccc(Cl)c(Cl)c1 ZINC000017039817 556207781 /nfs/dbraw/zinc/20/77/81/556207781.db2.gz OOHOHFUMHVYDTF-UHFFFAOYSA-N 0 0 469.712 4.830 40 5 JJBBRN Cc1ccc(-c2nn(-c3ccccc3)cc2NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000027232061 556275403 /nfs/dbraw/zinc/27/54/03/556275403.db2.gz KGEVSRNCRVDYRN-UHFFFAOYSA-N 0 0 483.528 4.845 40 5 JJBBRN Cc1cccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])o2)NC(=O)c2ccc(Br)cc2)c1 ZINC000028048297 556313943 /nfs/dbraw/zinc/31/39/43/556313943.db2.gz DXMBDVXSBUEQSK-LDADJPATSA-N 0 0 470.279 4.668 40 5 JJBBRN O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Cl ZINC000032124733 556427698 /nfs/dbraw/zinc/42/76/98/556427698.db2.gz UDIJPYONSPQPOJ-YVLHZVERSA-N 0 0 450.925 4.569 40 5 JJBBRN Cc1ccc(C(=O)NC(=S)NCc2ccc(-c3ccc(Br)cc3)o2)cc1[N+](=O)[O-] ZINC000057316420 569597771 /nfs/dbraw/zinc/59/77/71/569597771.db2.gz NZXNOAIAMHDOBW-UHFFFAOYSA-N 0 0 474.336 4.730 40 5 JJBBRN O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)cc1Cl)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000059503339 569606326 /nfs/dbraw/zinc/60/63/26/569606326.db2.gz NCCQVXXQHDZUMO-CAZKKTPXSA-N 0 0 465.292 4.778 40 5 JJBBRN CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000033552370 569627765 /nfs/dbraw/zinc/62/77/65/569627765.db2.gz VQYYUPVJGWUVOO-UHFFFAOYSA-N 0 0 467.503 4.939 40 5 JJBBRN COc1c(Cl)cc(Cl)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000033693808 569630915 /nfs/dbraw/zinc/63/09/15/569630915.db2.gz ZYJFVUZYPLOBHW-UHFFFAOYSA-N 0 0 493.391 4.863 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 ZINC000034138509 569639546 /nfs/dbraw/zinc/63/95/46/569639546.db2.gz KXKVQHICADOUGK-DEOSSOPVSA-N 0 0 472.501 4.861 40 5 JJBBRN Cn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(Br)cc1 ZINC000034851598 569667225 /nfs/dbraw/zinc/66/72/25/569667225.db2.gz RITSCBHLSHJSDQ-UHFFFAOYSA-N 0 0 482.747 4.537 40 5 JJBBRN CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000035808549 569712071 /nfs/dbraw/zinc/71/20/71/569712071.db2.gz YVWKYIBSZJVZBR-LERMDLETSA-N 0 0 467.934 4.685 40 5 JJBBRN C[C@@H](c1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=CN1[C@@H]2C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000035844197 569715029 /nfs/dbraw/zinc/71/50/29/569715029.db2.gz BQRZUJOAIBJIQW-UTZZIKNXSA-N 0 0 493.519 4.550 40 5 JJBBRN CCOC(=O)[C@@H](C)N(c1ccc(-c2ccc(C)cc2)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000095951493 569731479 /nfs/dbraw/zinc/73/14/79/569731479.db2.gz XBXDMGAPWRDISA-GOSISDBHSA-N 0 0 468.531 4.717 40 5 JJBBRN O=C(C1=C2C(O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12)c1cccc([N+](=O)[O-])c1 ZINC000036006966 569747589 /nfs/dbraw/zinc/74/75/89/569747589.db2.gz IRCIIMCPKXAREI-CJRSTVEYSA-N 0 0 499.910 4.647 40 5 JJBBRN O=[N+]([O-])c1ccc(Oc2csc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)c([N+](=O)[O-])c1 ZINC000100102666 569752986 /nfs/dbraw/zinc/75/29/86/569752986.db2.gz IWJDHZOEVOQNTB-UHFFFAOYSA-N 0 0 465.381 4.719 40 5 JJBBRN CCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 ZINC000100978722 569778510 /nfs/dbraw/zinc/77/85/10/569778510.db2.gz PAKCWQZRQFKPKC-SDHOMARFSA-N 0 0 487.512 4.825 40 5 JJBBRN Cc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccccc4Cl)[C@@H]3C2=O)cc1 ZINC000101116216 569783440 /nfs/dbraw/zinc/78/34/40/569783440.db2.gz BOPVQJYHDXWSQO-BDTNDASRSA-N 0 0 463.877 4.608 40 5 JJBBRN Cc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000101231775 569787666 /nfs/dbraw/zinc/78/76/66/569787666.db2.gz JUJYJBMCGMULIJ-VSKRKVRLSA-N 0 0 463.877 4.608 40 5 JJBBRN O=C(/C=C/c1cccs1)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000039748479 569811215 /nfs/dbraw/zinc/81/12/15/569811215.db2.gz RUCVCCRAEDJPNK-VAWYXSNFSA-N 0 0 461.459 4.611 40 5 JJBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000039759783 569811454 /nfs/dbraw/zinc/81/14/54/569811454.db2.gz ZSNLKXDUNQZLMC-UHFFFAOYSA-N 0 0 463.837 4.803 40 5 JJBBRN COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000039760230 569811588 /nfs/dbraw/zinc/81/15/88/569811588.db2.gz UFZKGWSIDGYBBP-UHFFFAOYSA-N 0 0 493.863 4.811 40 5 JJBBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102724480 569817553 /nfs/dbraw/zinc/81/75/53/569817553.db2.gz FPWJGVZMUJRDLG-HBMCJLEFSA-N 0 0 484.295 4.953 40 5 JJBBRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000102732563 569818295 /nfs/dbraw/zinc/81/82/95/569818295.db2.gz RKRXFPUFHNLTPZ-SDHOMARFSA-N 0 0 465.465 4.799 40 5 JJBBRN CCCCCCn1ccc2nc3ccn(-c4nc(SCc5ccccc5)n[nH]4)c(=O)c3cc2c1=O ZINC000040398948 569826001 /nfs/dbraw/zinc/82/60/01/569826001.db2.gz JDVVKJKLGFSGSD-UHFFFAOYSA-N 0 0 486.601 4.691 40 5 JJBBRN O=c1c2cc3c(ccn(C4CCCCCC4)c3=O)nc2ccn1-c1nc(C2CCCCC2)n[nH]1 ZINC000040399028 569826112 /nfs/dbraw/zinc/82/61/12/569826112.db2.gz RBBMSHKUCHKCRY-UHFFFAOYSA-N 0 0 458.566 4.762 40 5 JJBBRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 ZINC000040717732 569830436 /nfs/dbraw/zinc/83/04/36/569830436.db2.gz IRPWMIRCSSCHKO-UHFFFAOYSA-N 0 0 476.533 4.802 40 5 JJBBRN O=C1S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000106740099 569855395 /nfs/dbraw/zinc/85/53/95/569855395.db2.gz FHXPFVRJKGRULG-XRVIQIRUSA-N 0 0 453.259 4.867 40 5 JJBBRN CC(C)c1ccc(C=CC(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000107642407 569856863 /nfs/dbraw/zinc/85/68/63/569856863.db2.gz KWORQZSIEULGOK-BJMVGYQFSA-N 0 0 472.998 4.608 40 5 JJBBRN O=C(NC(=S)Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000107759143 569857284 /nfs/dbraw/zinc/85/72/84/569857284.db2.gz LIFPQZKUCNFQHS-UHFFFAOYSA-N 0 0 463.471 4.734 40 5 JJBBRN O=C1N/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(Br)cc1 ZINC000111505488 569860987 /nfs/dbraw/zinc/86/09/87/569860987.db2.gz LHMDNGDIBOBHNE-BOPFTXTBSA-N 0 0 468.263 4.710 40 5 JJBBRN O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000205697723 569874168 /nfs/dbraw/zinc/87/41/68/569874168.db2.gz DFQLPLJVQZNHKO-YBFXNURJSA-N 0 0 451.416 5.000 40 5 JJBBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O ZINC000205760367 569874263 /nfs/dbraw/zinc/87/42/63/569874263.db2.gz QIAIFBMVKYEWBV-SRZZPIQSSA-N 0 0 479.514 4.586 40 5 JJBBRN COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)cc1 ZINC000215011560 569877115 /nfs/dbraw/zinc/87/71/15/569877115.db2.gz CIUWJLJGWMXJMJ-UDWIEESQSA-N 0 0 464.455 4.878 40 5 JJBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222502876 569884935 /nfs/dbraw/zinc/88/49/35/569884935.db2.gz AYIAWZYFLFNXKM-FDDCHVKYSA-N 0 0 487.622 4.559 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222502818 569884943 /nfs/dbraw/zinc/88/49/43/569884943.db2.gz AYIAWZYFLFNXKM-WZONZLPQSA-N 0 0 487.622 4.559 40 5 JJBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222557152 569885792 /nfs/dbraw/zinc/88/57/92/569885792.db2.gz NPZWKWXUBNGGFC-OAQYLSRUSA-N 0 0 478.014 4.813 40 5 JJBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222659361 569887864 /nfs/dbraw/zinc/88/78/64/569887864.db2.gz WUMXBOBWBZOIMF-LJQANCHMSA-N 0 0 466.365 4.776 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)o1 ZINC000222941467 569895018 /nfs/dbraw/zinc/89/50/18/569895018.db2.gz SGIXRISRAPUCNV-FGZHOGPDSA-N 0 0 452.536 4.887 40 5 JJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223320480 569907419 /nfs/dbraw/zinc/90/74/19/569907419.db2.gz JRAOUFLSBGAJNI-XMMPIXPASA-N 0 0 479.964 4.567 40 5 JJBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)o1 ZINC000223475067 569912534 /nfs/dbraw/zinc/91/25/34/569912534.db2.gz PVRZUSYXVIJNFV-PKTZIBPZSA-N 0 0 457.515 4.818 40 5 JJBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)o1 ZINC000223475147 569912543 /nfs/dbraw/zinc/91/25/43/569912543.db2.gz PVRZUSYXVIJNFV-GOTSBHOMSA-N 0 0 457.515 4.818 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)o1 ZINC000223478430 569912691 /nfs/dbraw/zinc/91/26/91/569912691.db2.gz UETXZHPFEQSRNL-DNQXCXABSA-N 0 0 487.541 4.826 40 5 JJBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)o1 ZINC000223512370 569914097 /nfs/dbraw/zinc/91/40/97/569914097.db2.gz DCPUYYXTJLDDLA-PKTZIBPZSA-N 0 0 457.515 4.818 40 5 JJBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223657927 569919247 /nfs/dbraw/zinc/91/92/47/569919247.db2.gz SMDDJVVVCYBLSA-FNZWTVRRSA-N 0 0 491.563 4.831 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223657873 569919277 /nfs/dbraw/zinc/91/92/77/569919277.db2.gz SMDDJVVVCYBLSA-IBVKSMDESA-N 0 0 491.563 4.831 40 5 JJBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223832102 569924612 /nfs/dbraw/zinc/92/46/12/569924612.db2.gz KRTTUYZPNVJTKS-KRWDZBQOSA-N 0 0 490.025 4.958 40 5 JJBBRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223835915 569924745 /nfs/dbraw/zinc/92/47/45/569924745.db2.gz NLOZAJLFEJUNPM-AWEZNQCLSA-N 0 0 484.405 4.688 40 5 JJBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223905398 569926812 /nfs/dbraw/zinc/92/68/12/569926812.db2.gz XHPYZYVHBLWBHV-HNNXBMFYSA-N 0 0 478.376 4.920 40 5 JJBBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000223986968 569929567 /nfs/dbraw/zinc/92/95/67/569929567.db2.gz JOZJHZXSZYEJLJ-JWQCQUIFSA-N 0 0 498.568 4.916 40 5 JJBBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000223987152 569929576 /nfs/dbraw/zinc/92/95/76/569929576.db2.gz XXGAJSAFDJCEEI-LOSJGSFVSA-N 0 0 498.568 4.916 40 5 JJBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1 ZINC000224026180 569931082 /nfs/dbraw/zinc/93/10/82/569931082.db2.gz LLSOZVXTTZDPRZ-ZEQRLZLVSA-N 0 0 485.525 4.686 40 5 JJBBRN CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224245726 569937999 /nfs/dbraw/zinc/93/79/99/569937999.db2.gz TULSRFHZLYSZBG-KRWDZBQOSA-N 0 0 478.014 4.671 40 5 JJBBRN CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224318328 569940366 /nfs/dbraw/zinc/94/03/66/569940366.db2.gz BVWZIXBYQLIGIM-HNNXBMFYSA-N 0 0 466.365 4.634 40 5 JJBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224530569 569947434 /nfs/dbraw/zinc/94/74/34/569947434.db2.gz VTFAUEIJPAEBCH-XMMPIXPASA-N 0 0 499.633 4.703 40 5 JJBBRN CCCC[C@@H](CC)CNC(=O)c1ccc(CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 ZINC000224862912 569960661 /nfs/dbraw/zinc/96/06/61/569960661.db2.gz GXTHBLSGGQWUSW-LJQANCHMSA-N 0 0 475.611 4.816 40 5 JJBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225062890 569972790 /nfs/dbraw/zinc/97/27/90/569972790.db2.gz GFMCISZGKXXQBU-HSZRJFAPSA-N 0 0 497.592 4.547 40 5 JJBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225062858 569972850 /nfs/dbraw/zinc/97/28/50/569972850.db2.gz GFMCISZGKXXQBU-QHCPKHFHSA-N 0 0 497.592 4.547 40 5 JJBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225136327 569977328 /nfs/dbraw/zinc/97/73/28/569977328.db2.gz MFAPYMLJIIKLDM-IRXDYDNUSA-N 0 0 478.014 4.813 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225285925 569988385 /nfs/dbraw/zinc/98/83/85/569988385.db2.gz BBLOSWSSMOTVSX-HUUCEWRRSA-N 0 0 466.365 4.776 40 5 JJBBRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)c(Cl)c3C)CC2=O)cc1[N+](=O)[O-] ZINC000408642674 569989837 /nfs/dbraw/zinc/98/98/37/569989837.db2.gz PJNIUYFAPOVPSZ-GFCCVEGCSA-N 0 0 466.719 4.619 40 5 JJBBRN Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C2)cc1 ZINC000408647619 569992429 /nfs/dbraw/zinc/99/24/29/569992429.db2.gz JNWPWFJEMYJKRT-XMSQKQJNSA-N 0 0 472.497 4.738 40 5 JJBBRN Cc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)c2)c(C)c1 ZINC000408647801 569992620 /nfs/dbraw/zinc/99/26/20/569992620.db2.gz XMOZCEMKUNHLTA-HXUWFJFHSA-N 0 0 486.528 4.764 40 5 JJBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408649481 569993266 /nfs/dbraw/zinc/99/32/66/569993266.db2.gz DPTHZRGXNSZFHU-CSKPTYFESA-N 0 0 465.292 4.692 40 5 JJBBRN COc1ccc([N+](=O)[O-])c(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 ZINC000408651133 569994113 /nfs/dbraw/zinc/99/41/13/569994113.db2.gz GOUAJSWHWZSZTG-AGYDLCDTSA-N 0 0 495.318 4.701 40 5 JJBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1ccc(Cl)cc1 ZINC000408658390 569998893 /nfs/dbraw/zinc/99/88/93/569998893.db2.gz VACPOCJPCQJTLS-LJQANCHMSA-N 0 0 478.888 4.694 40 5 JJBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225495070 569999824 /nfs/dbraw/zinc/99/98/24/569999824.db2.gz PZRJMERRXBVPGR-WMZHIEFXSA-N 0 0 471.623 4.859 40 5 JJBBRN O=C1[C@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1F)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408661333 570000850 /nfs/dbraw/zinc/00/08/50/570000850.db2.gz QPBTVWWOONYKHU-TUUBTQOTSA-N 0 0 483.282 4.832 40 5 JJBBRN O=C(Nc1ccc(OCCCN2CCOCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000225537506 570003721 /nfs/dbraw/zinc/00/37/21/570003721.db2.gz RLMUFEHOLCPZFO-UHFFFAOYSA-N 0 0 467.566 4.537 40 5 JJBBRN COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c([N+](=O)[O-])c1 ZINC000408667195 570005172 /nfs/dbraw/zinc/00/51/72/570005172.db2.gz VFEJILOKCBEXLF-SKGAXEKPSA-N 0 0 495.318 4.701 40 5 JJBBRN O=C(Nc1ccccc1C(F)(F)F)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000408668287 570005917 /nfs/dbraw/zinc/00/59/17/570005917.db2.gz DKLVCTVWMUUSTJ-UHFFFAOYSA-N 0 0 455.348 4.667 40 5 JJBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225573096 570006680 /nfs/dbraw/zinc/00/66/80/570006680.db2.gz DINVYCOXIWUKHI-VWLOTQADSA-N 0 0 491.613 4.523 40 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481.461 4.977 40 5 JJBBRN CC(=O)c1ccc2c3c1cccc3C(=O)N(c1c(C)nn(-c3ccc([N+](=O)[O-])cc3)c1C)C2=O ZINC000408973813 570089220 /nfs/dbraw/zinc/08/92/20/570089220.db2.gz BXRIEUITUGRPAU-UHFFFAOYSA-N 0 0 454.442 4.554 40 5 JJBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2cccc(C(F)(F)F)c2)cc1 ZINC000409027605 570104977 /nfs/dbraw/zinc/10/49/77/570104977.db2.gz MSLAWSQKPSXGCS-UHFFFAOYSA-N 0 0 493.463 4.756 40 5 JJBBRN O=C1N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1F ZINC000409071758 570118535 /nfs/dbraw/zinc/11/85/35/570118535.db2.gz PUROZQOETHUVAW-YBFXNURJSA-N 0 0 478.392 4.527 40 5 JJBBRN CCOc1cc(C=C(C(=O)OC)C(=O)OC)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409091329 570124858 /nfs/dbraw/zinc/12/48/58/570124858.db2.gz SRAQBCFCUXASCN-UHFFFAOYSA-N 0 0 469.368 4.534 40 5 JJBBRN COCCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O ZINC000409126034 570137962 /nfs/dbraw/zinc/13/79/62/570137962.db2.gz DMVBVTBIZMPSJP-WOJGMQOQSA-N 0 0 493.335 4.619 40 5 JJBBRN Cc1sc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)nc1-c1ccccc1 ZINC000409141273 570144723 /nfs/dbraw/zinc/14/47/23/570144723.db2.gz HLQJQAKBRDWQJC-UHFFFAOYSA-N 0 0 466.548 4.553 40 5 JJBBRN CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409143310 570145656 /nfs/dbraw/zinc/14/56/56/570145656.db2.gz LSABRTJKEVUFNS-UHFFFAOYSA-N 0 0 452.323 4.911 40 5 JJBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 ZINC000409156176 570150609 /nfs/dbraw/zinc/15/06/09/570150609.db2.gz SVKCSDMWDADNLF-UDWIEESQSA-N 0 0 463.471 4.838 40 5 JJBBRN Cc1ccc(NC(=O)CSc2nnc([C@@H](C)Oc3ccccc3Cl)n2C)cc1[N+](=O)[O-] ZINC000409157624 570151073 /nfs/dbraw/zinc/15/10/73/570151073.db2.gz RIMBRONJBXMARS-CYBMUJFWSA-N 0 0 461.931 4.556 40 5 JJBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409165635 570153291 /nfs/dbraw/zinc/15/32/91/570153291.db2.gz AMMWBGBREBPGAI-RGVLZGJSSA-N 0 0 497.460 4.678 40 5 JJBBRN 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O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl ZINC000409177652 570157641 /nfs/dbraw/zinc/15/76/41/570157641.db2.gz BMZZUMWTYNBJOB-HXUWFJFHSA-N 0 0 485.792 4.846 40 5 JJBBRN Cc1c(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409178005 570157817 /nfs/dbraw/zinc/15/78/17/570157817.db2.gz ICMXMDMYZRQZKQ-UHFFFAOYSA-N 0 0 453.363 4.869 40 5 JJBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409178500 570157996 /nfs/dbraw/zinc/15/79/96/570157996.db2.gz KGZLSXRMXYQXRD-STZFKDTASA-N 0 0 476.514 4.623 40 5 JJBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccn3Cc3ccccc3[N+](=O)[O-])C2=O)c(C)c1 ZINC000409178689 570158042 /nfs/dbraw/zinc/15/80/42/570158042.db2.gz NVZPYCKKNRMQAG-LPYMAVHISA-N 0 0 490.541 4.736 40 5 JJBBRN O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21 ZINC000409179943 570158658 /nfs/dbraw/zinc/15/86/58/570158658.db2.gz QPRVYJAMTVYTHF-UHFFFAOYSA-N 0 0 475.478 4.621 40 5 JJBBRN O=C(Nc1cccc(Cl)c1Cl)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409181386 570159420 /nfs/dbraw/zinc/15/94/20/570159420.db2.gz BXAAVFBBLNOZCK-UHFFFAOYSA-N 0 0 451.287 4.987 40 5 JJBBRN O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl ZINC000409181648 570159480 /nfs/dbraw/zinc/15/94/80/570159480.db2.gz FLSIRJFBOYFBEF-UHFFFAOYSA-N 0 0 494.308 4.774 40 5 JJBBRN COc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000409190102 570161659 /nfs/dbraw/zinc/16/16/59/570161659.db2.gz KSGPLCYMQUCWBG-FRRKYVQWSA-N 0 0 484.464 4.875 40 5 JJBBRN COc1cccc(C2=N/C(=C\c3ccccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)c1 ZINC000409191598 570162126 /nfs/dbraw/zinc/16/21/26/570162126.db2.gz IVFBZCPZSHXGOH-CYYHYYEZSA-N 0 0 470.437 4.567 40 5 JJBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C)c(C)cc3[N+](=O)[O-])o2)C1=O ZINC000409200733 570165175 /nfs/dbraw/zinc/16/51/75/570165175.db2.gz ITEGTKJOXXYJIY-VAODSVERSA-N 0 0 458.492 4.850 40 5 JJBBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1NC(=O)c1ccccc1 ZINC000409203325 570166344 /nfs/dbraw/zinc/16/63/44/570166344.db2.gz WLEGLYAMBYKOCD-BKUYFWCQSA-N 0 0 476.514 4.634 40 5 JJBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409207293 570167647 /nfs/dbraw/zinc/16/76/47/570167647.db2.gz RJNDVBYBFBIPFR-HYARGMPZSA-N 0 0 473.485 4.665 40 5 JJBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O ZINC000409207910 570167972 /nfs/dbraw/zinc/16/79/72/570167972.db2.gz CLHUPRJYKFUUGI-LBFZPMSMSA-N 0 0 464.883 4.886 40 5 JJBBRN CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O ZINC000409210425 570169436 /nfs/dbraw/zinc/16/94/36/570169436.db2.gz JWRUQJHZHWHBFL-CAOOACKPSA-N 0 0 464.883 4.744 40 5 JJBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)C1=O ZINC000409211960 570170282 /nfs/dbraw/zinc/17/02/82/570170282.db2.gz OXEBRLITLBKFEU-YBFXNURJSA-N 0 0 458.492 4.851 40 5 JJBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C1=O ZINC000409214772 570171904 /nfs/dbraw/zinc/17/19/04/570171904.db2.gz YRYQWIBWSUHQAY-CIAFOILYSA-N 0 0 493.497 4.847 40 5 JJBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)Nc1ccc(F)cc1 ZINC000409215838 570172361 /nfs/dbraw/zinc/17/23/61/570172361.db2.gz FRTGYEVHGDPNCH-ODLFYWEKSA-N 0 0 494.460 4.596 40 5 JJBBRN CC(C)COC(=O)CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O ZINC000409217219 570173103 /nfs/dbraw/zinc/17/31/03/570173103.db2.gz OCGOLTUFOJXWDD-JJFYIABZSA-N 0 0 493.541 4.833 40 5 JJBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O ZINC000409217582 570173247 /nfs/dbraw/zinc/17/32/47/570173247.db2.gz QJKOAQFLNJXJEA-SLDJAQPHSA-N 0 0 470.503 4.552 40 5 JJBBRN COCCCN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O ZINC000409222047 570174845 /nfs/dbraw/zinc/17/48/45/570174845.db2.gz BNRKEXZUOOYHOS-YBEGLDIGSA-N 0 0 467.297 4.690 40 5 JJBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409222780 570175026 /nfs/dbraw/zinc/17/50/26/570175026.db2.gz CTKWXMFOLYTCIM-UUASQNMZSA-N 0 0 470.265 4.716 40 5 JJBBRN O=C(CN1C(=O)S/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1Cl ZINC000409231583 570177990 /nfs/dbraw/zinc/17/79/90/570177990.db2.gz KBQOPBQLGDIWKM-XDHOZWIPSA-N 0 0 482.905 4.714 40 5 JJBBRN CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O ZINC000409231684 570178004 /nfs/dbraw/zinc/17/80/04/570178004.db2.gz FLTMDDBIQAUQJG-LICLKQGHSA-N 0 0 450.278 4.783 40 5 JJBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409234222 570179026 /nfs/dbraw/zinc/17/90/26/570179026.db2.gz JEXXRJYXHCEWOX-CIAFOILYSA-N 0 0 473.485 4.584 40 5 JJBBRN CCCN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)C1=O ZINC000409235794 570179660 /nfs/dbraw/zinc/17/96/60/570179660.db2.gz BQBWKHXEVIGQMC-VCHYOVAHSA-N 0 0 459.436 4.750 40 5 JJBBRN O=[N+]([O-])c1ccccc1CNc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CCCC2)n1 ZINC000328974773 570180067 /nfs/dbraw/zinc/18/00/67/570180067.db2.gz FGNUDJRIDLIGEI-UHFFFAOYSA-N 0 0 473.455 4.761 40 5 JJBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)o1 ZINC000409237002 570180085 /nfs/dbraw/zinc/18/00/85/570180085.db2.gz UKNLAHGMTXPUKA-JAIQZWGSSA-N 0 0 481.461 4.977 40 5 JJBBRN CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409237056 570180145 /nfs/dbraw/zinc/18/01/45/570180145.db2.gz VKMSUIFJTMSTBO-CXUHLZMHSA-N 0 0 480.702 4.502 40 5 JJBBRN CC[C@@H](C)Nc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329070633 570183859 /nfs/dbraw/zinc/18/38/59/570183859.db2.gz ZIMZKMPLIUZIOR-CQSZACIVSA-N 0 0 461.444 4.617 40 5 JJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1cccc(F)c1 ZINC000409247608 570184818 /nfs/dbraw/zinc/18/48/18/570184818.db2.gz IPLYLAVQCGYQHU-YBFXNURJSA-N 0 0 467.434 4.669 40 5 JJBBRN O=C(Oc1cccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000409268495 570188882 /nfs/dbraw/zinc/18/88/82/570188882.db2.gz UPQKMTRYZOXYIH-UHFFFAOYSA-N 0 0 492.469 4.978 40 5 JJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O)N1CCCC1 ZINC000408551952 570195362 /nfs/dbraw/zinc/19/53/62/570195362.db2.gz PNXIBWAXVGKTFS-REZTVBANSA-N 0 0 496.328 4.820 40 5 JJBBRN CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408561713 570201302 /nfs/dbraw/zinc/20/13/02/570201302.db2.gz KKUBJEZQAVPRPM-FCQUAONHSA-N 0 0 454.508 4.973 40 5 JJBBRN CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408564541 570202568 /nfs/dbraw/zinc/20/25/68/570202568.db2.gz ZHZZYLRPNDNSLR-VZCXRCSSSA-N 0 0 491.323 4.865 40 5 JJBBRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)c1 ZINC000408570075 570204528 /nfs/dbraw/zinc/20/45/28/570204528.db2.gz YMOIJHABGSACNM-UHFFFAOYSA-N 0 0 459.911 4.918 40 5 JJBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OC ZINC000408570298 570204579 /nfs/dbraw/zinc/20/45/79/570204579.db2.gz KUXZTWMXAKFUPD-SFHVURJKSA-N 0 0 493.383 4.774 40 5 JJBBRN CCOc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(F)cc1 ZINC000408573530 570205232 /nfs/dbraw/zinc/20/52/32/570205232.db2.gz TULJCRGFTYRACB-SFHVURJKSA-N 0 0 481.347 4.986 40 5 JJBBRN O=C(C=Cc1ccc(-c2ccccc2)o1)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000408574407 570205397 /nfs/dbraw/zinc/20/53/97/570205397.db2.gz QIWWVHYVOZXZIO-ZRDIBKRKSA-N 0 0 496.976 4.745 40 5 JJBBRN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)n2)cc1 ZINC000408581502 570206788 /nfs/dbraw/zinc/20/67/88/570206788.db2.gz IPDPXEIRVNQTBE-UHFFFAOYSA-N 0 0 494.451 4.819 40 5 JJBBRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)c(Cl)c2)cc1 ZINC000408584356 570207570 /nfs/dbraw/zinc/20/75/70/570207570.db2.gz OQGDKVXOWOWPQP-UHFFFAOYSA-N 0 0 489.937 4.683 40 5 JJBBRN Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000408585658 570208015 /nfs/dbraw/zinc/20/80/15/570208015.db2.gz GWBAVPNRUWLKHH-UHFFFAOYSA-N 0 0 495.601 4.701 40 5 JJBBRN Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3C)nnc2-c2cccnc2)cc1 ZINC000000873220 193938130 /nfs/dbraw/zinc/93/81/30/193938130.db2.gz HZIGZKQYZMZVKG-KRWDZBQOSA-N 0 0 474.546 4.974 40 5 JJBBRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000001912584 194155342 /nfs/dbraw/zinc/15/53/42/194155342.db2.gz QXXAXQGDKDMGFM-QFIPXVFZSA-N 0 0 498.520 4.564 40 5 JJBBRN O=C(N[C@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl)OCc1ccccc1 ZINC000003013855 194206841 /nfs/dbraw/zinc/20/68/41/194206841.db2.gz OPOHCSGURMTFQV-AWEZNQCLSA-N 0 0 477.757 4.504 40 5 JJBBRN CCn1c(CNc2ccccc2Cl)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000006878343 194434988 /nfs/dbraw/zinc/43/49/88/194434988.db2.gz FHFQVTVSHUWTAP-UHFFFAOYSA-N 0 0 460.947 4.511 40 5 JJBBRN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 ZINC000020610053 195183074 /nfs/dbraw/zinc/18/30/74/195183074.db2.gz DQODNJFXPPSSGV-UHFFFAOYSA-N 0 0 455.430 4.850 40 5 JJBBRN O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000020611837 195185936 /nfs/dbraw/zinc/18/59/36/195185936.db2.gz HKPSJCVKAOOZRI-UHFFFAOYSA-N 0 0 472.295 4.706 40 5 JJBBRN COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000020753378 195215420 /nfs/dbraw/zinc/21/54/20/195215420.db2.gz HHBAGUQGMFCLRW-UHFFFAOYSA-N 0 0 473.514 4.853 40 5 JJBBRN O=C(c1cc2c3ccccc3n3c2c(n1)c1ccccc1c3=O)N1CCN(Cc2ccccc2)CC1 ZINC000020759145 195217388 /nfs/dbraw/zinc/21/73/88/195217388.db2.gz XXLOEJMZMJNTIB-UHFFFAOYSA-N 0 0 472.548 4.550 40 5 biogenic JJBBRN Cc1cc(I)ccc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000021595506 195317834 /nfs/dbraw/zinc/31/78/34/195317834.db2.gz KTJUYUFSAUXPQA-UHFFFAOYSA-N 0 0 479.318 4.996 40 5 JJBBRN O=c1/c(=C\c2ccc(Cl)cc2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000059678126 195411435 /nfs/dbraw/zinc/41/14/35/195411435.db2.gz IUJCDWBMZFPPKN-AQIZGWBQSA-N 0 0 499.979 4.880 40 5 JJBBRN CC1(C)C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@](C)(NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000026780130 520518539 /nfs/dbraw/zinc/51/85/39/520518539.db2.gz NYUBSMQXGONDTH-HXOBKFHXSA-N 0 0 484.513 4.784 40 5 JJBBRN CCOc1cc(=O)cc2n(-c3cc(OCC)c(OC(C)=O)c(OCC)c3)c3ccccc3nc1-2 ZINC000005389822 520649489 /nfs/dbraw/zinc/64/94/89/520649489.db2.gz GHDZLEWVMCONSJ-UHFFFAOYSA-N 0 0 462.502 4.612 40 5 JJBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cccnc2)n1CCc1ccccc1 ZINC000012495794 525568878 /nfs/dbraw/zinc/56/88/78/525568878.db2.gz NHKXGJRZWLKBIW-UHFFFAOYSA-N 0 0 474.546 4.530 40 5 JJBBRN COc1ccc2c3nc(C(=O)NC4CCCCC4)cc4c5ccccc5n(c43)c(=O)c2c1OC ZINC000008877988 525618110 /nfs/dbraw/zinc/61/81/10/525618110.db2.gz FTYIOLSLJXTGKG-UHFFFAOYSA-N 0 0 455.514 4.672 40 5 biogenic JJBBRN O=C(COc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13)NCCc1c[nH]c2ccccc12 ZINC000008792229 526971392 /nfs/dbraw/zinc/97/13/92/526971392.db2.gz SYIMWSFFFRSEHK-UHFFFAOYSA-N 0 0 486.531 4.811 40 5 biogenic JJBBRN O=C1OC(c2cc(I)ccc2Cl)=N/C1=C\C=C\c1ccccc1[N+](=O)[O-] ZINC000013562777 527091429 /nfs/dbraw/zinc/09/14/29/527091429.db2.gz GOFPXQIRYWTZHO-VLVOFSMPSA-N 0 0 480.645 4.754 40 5 JJBBRN O=[N+]([O-])c1ccc2c(c1)nc(SC[C@@H]1COc3ccccc3O1)n2C[C@@H]1COc2ccccc2O1 ZINC000016525002 527379620 /nfs/dbraw/zinc/37/96/20/527379620.db2.gz VSXVRBNVULAKSU-MSOLQXFVSA-N 0 0 491.525 4.717 40 5 JJBBRN O=C(Nc1nn(Cc2ccccc2)cc1Cl)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1 ZINC000002809301 527529835 /nfs/dbraw/zinc/52/98/35/527529835.db2.gz QEGVUHRJIXUJAF-UHFFFAOYSA-N 0 0 471.304 4.644 40 5 JJBBRN C[C@H](Sc1nnc(COc2ccc(Cl)cc2Cl)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000851204 553798302 /nfs/dbraw/zinc/79/83/02/553798302.db2.gz WEZPMHNGQDBMCR-JTQLQIEISA-N 0 0 469.306 4.983 40 5 JJBBRN Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)cc1[N+](=O)[O-] ZINC000000868707 553807484 /nfs/dbraw/zinc/80/74/84/553807484.db2.gz PVZPJEQWFAJEAZ-UHFFFAOYSA-N 0 0 459.531 4.806 40 5 JJBBRN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)N1CCCc2ccccc21 ZINC000000868984 553807695 /nfs/dbraw/zinc/80/76/95/553807695.db2.gz JAJHURQPDYRIIS-UHFFFAOYSA-N 0 0 471.542 4.914 40 5 JJBBRN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000002674960 554280288 /nfs/dbraw/zinc/28/02/88/554280288.db2.gz CXQACENVVWDSKW-UHFFFAOYSA-N 0 0 460.471 4.546 40 5 JJBBRN Cc1cc2nc3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n3c2cc1C ZINC000002904975 554410665 /nfs/dbraw/zinc/41/06/65/554410665.db2.gz IVRFEZCMLHYHSO-JMIUGGIZSA-N 0 0 451.891 4.895 40 5 JJBBRN CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006878528 554560035 /nfs/dbraw/zinc/56/00/35/554560035.db2.gz VHJPFHHVRBIXIN-ZDUSSCGKSA-N 0 0 461.931 4.558 40 5 JJBBRN CCn1c(CNc2ccccc2Cl)nnc1S[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006878527 554560049 /nfs/dbraw/zinc/56/00/49/554560049.db2.gz WPUXHSRJLWLQBC-ZDUSSCGKSA-N 0 0 460.947 4.591 40 5 JJBBRN COc1cccc(CNC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2ccccc24)c1 ZINC000008792132 554685406 /nfs/dbraw/zinc/68/54/06/554685406.db2.gz FWGKQDAMRQZHJK-KRWDZBQOSA-N 0 0 477.520 4.684 40 5 biogenic JJBBRN O=C(c1cc2c3ccccc3n3c2c(n1)c1ccccc1c3=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000008792406 554686016 /nfs/dbraw/zinc/68/60/16/554686016.db2.gz PXOSZSHBUJFEOD-UHFFFAOYSA-N 0 0 476.511 4.693 40 5 biogenic JJBBRN COc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)nc2c1 ZINC000008830979 554720706 /nfs/dbraw/zinc/72/07/06/554720706.db2.gz UJDNIUZVUGHWPR-UHFFFAOYSA-N 0 0 462.487 4.847 40 5 JJBBRN Cc1cc2sc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)nc2c(C)c1 ZINC000008831120 554721224 /nfs/dbraw/zinc/72/12/24/554721224.db2.gz DMPXRIWNAXMULR-UHFFFAOYSA-N 0 0 455.565 4.548 40 5 JJBBRN C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000008831769 554723792 /nfs/dbraw/zinc/72/37/92/554723792.db2.gz BZXHMUWWICFVKC-QGZVFWFLSA-N 0 0 467.595 4.701 40 5 JJBBRN COc1ccc(-c2csc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)n2)cc1OC ZINC000008832060 554725092 /nfs/dbraw/zinc/72/50/92/554725092.db2.gz ZRMCDPDRMVKYIV-UHFFFAOYSA-N 0 0 468.535 4.978 40 5 JJBBRN CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1 ZINC000008894453 554783797 /nfs/dbraw/zinc/78/37/97/554783797.db2.gz UGUXMAFJRKJELY-UHFFFAOYSA-N 0 0 474.546 4.635 40 5 JJBBRN CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 ZINC000008901646 554795066 /nfs/dbraw/zinc/79/50/66/554795066.db2.gz MOKUOWMSONTJRF-UHFFFAOYSA-N 0 0 482.924 4.819 40 5 JJBBRN COc1ccc([C@H]2[C@@H]([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2ccccc2)cc1OC ZINC000009008909 554862997 /nfs/dbraw/zinc/86/29/97/554862997.db2.gz KMDKBKFJBUMUOR-PZYJALBSSA-N 0 0 456.498 4.600 40 5 JJBBRN Cc1ccccc1C(=O)n1nc(-c2ccccc2)nc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000009057301 554876526 /nfs/dbraw/zinc/87/65/26/554876526.db2.gz JDTCNCOLWONEAK-UHFFFAOYSA-N 0 0 473.514 4.581 40 5 JJBBRN COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000009062402 554879914 /nfs/dbraw/zinc/87/99/14/554879914.db2.gz AUXAXCBHTHHJLD-UHFFFAOYSA-N 0 0 493.863 4.811 40 5 JJBBRN O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000009062487 554880229 /nfs/dbraw/zinc/88/02/29/554880229.db2.gz ALVUBGKFIZHMCJ-UHFFFAOYSA-N 0 0 490.457 4.526 40 5 JJBBRN O=C(NC(=S)Nc1ccc2c3c(cccc31)CC2)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000009064642 554882872 /nfs/dbraw/zinc/88/28/72/554882872.db2.gz BASRXVWANSIUTA-UHFFFAOYSA-N 0 0 460.559 4.964 40 5 JJBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccc(Cl)cc2)cc1 ZINC000019856292 555514783 /nfs/dbraw/zinc/51/47/83/555514783.db2.gz QQQFWSWFTLMNFX-UHFFFAOYSA-N 0 0 473.938 4.699 40 5 JJBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cc(Br)cc(C)c3OC)nc21 ZINC000010010578 555593071 /nfs/dbraw/zinc/59/30/71/555593071.db2.gz NOAZDMDDOZTMFY-UHFFFAOYSA-N 0 0 452.286 4.545 40 5 JJBBRN COc1cc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3o2)cc(OC)c1OC ZINC000010120213 555632433 /nfs/dbraw/zinc/63/24/33/555632433.db2.gz QMGGJFUNURYHOO-UHFFFAOYSA-N 0 0 463.446 4.990 40 5 JJBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](C)Oc1ccccc1Cl ZINC000013870868 555637263 /nfs/dbraw/zinc/63/72/63/555637263.db2.gz QCUSZUNIOMOADA-CYBMUJFWSA-N 0 0 461.931 4.730 40 5 JJBBRN CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1[C@@H](C)Oc1ccccc1Cl ZINC000013870864 555637305 /nfs/dbraw/zinc/63/73/05/555637305.db2.gz IFHXSYDQZZRHOK-CYBMUJFWSA-N 0 0 461.931 4.730 40 5 JJBBRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)cc1 ZINC000013871355 555637600 /nfs/dbraw/zinc/63/76/00/555637600.db2.gz PQYKIABQSUAQBD-CYBMUJFWSA-N 0 0 475.958 4.810 40 5 JJBBRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccc2C)cc1 ZINC000010332916 555688675 /nfs/dbraw/zinc/68/86/75/555688675.db2.gz JMCMOGAHVOKSFK-UHFFFAOYSA-N 0 0 459.911 4.918 40 5 JJBBRN Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000014269252 555758210 /nfs/dbraw/zinc/75/82/10/555758210.db2.gz VMCRDAZELVTNHH-UHFFFAOYSA-N 0 0 459.483 4.803 40 5 JJBBRN COc1c(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc2ccccc2c1Br ZINC000014270024 555760930 /nfs/dbraw/zinc/76/09/30/555760930.db2.gz VDYNNWWSPBQEID-UHFFFAOYSA-N 0 0 460.309 4.646 40 5 JJBBRN Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)nc21 ZINC000014270817 555763913 /nfs/dbraw/zinc/76/39/13/555763913.db2.gz GSXDMQAFQRWDIF-UHFFFAOYSA-N 0 0 469.592 4.938 40 5 JJBBRN Cc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000014272690 555770720 /nfs/dbraw/zinc/77/07/20/555770720.db2.gz HVAHUWFPDIQVGZ-UHFFFAOYSA-N 0 0 456.506 4.798 40 5 JJBBRN O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000014273611 555774018 /nfs/dbraw/zinc/77/40/18/555774018.db2.gz SKAPEMIBZQJSDN-UHFFFAOYSA-N 0 0 450.926 4.823 40 5 JJBBRN O=C(Nc1cccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1)c1ccco1 ZINC000014274365 555776501 /nfs/dbraw/zinc/77/65/01/555776501.db2.gz GSWZUIXHGQXPSC-UHFFFAOYSA-N 0 0 493.545 4.557 40 5 JJBBRN O=C(NC(=S)Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014274717 555777576 /nfs/dbraw/zinc/77/75/76/555777576.db2.gz YCBMZFBFOVFZFW-UHFFFAOYSA-N 0 0 488.529 4.525 40 5 JJBBRN Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000014274776 555777852 /nfs/dbraw/zinc/77/78/52/555777852.db2.gz JRELBCPSDNLTMM-UHFFFAOYSA-N 0 0 475.530 4.912 40 5 JJBBRN O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014274730 555777879 /nfs/dbraw/zinc/77/78/79/555777879.db2.gz KAVRYLDUMAHBBZ-UHFFFAOYSA-N 0 0 489.557 4.574 40 5 JJBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000014275256 555780099 /nfs/dbraw/zinc/78/00/99/555780099.db2.gz QZORDGBNLFRPDO-UHFFFAOYSA-N 0 0 491.279 4.652 40 5 JJBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1[N+](=O)[O-] ZINC000014275457 555780899 /nfs/dbraw/zinc/78/08/99/555780899.db2.gz MVUJQVFEEZVAOF-UHFFFAOYSA-N 0 0 477.502 4.632 40 5 JJBBRN COc1ccc(NC(=O)/C=C/c2cc(Br)cc(Br)c2OC)c([N+](=O)[O-])c1 ZINC000014278636 555789147 /nfs/dbraw/zinc/78/91/47/555789147.db2.gz MOMSNPRFFPHMCQ-ZZXKWVIFSA-N 0 0 486.116 4.789 40 5 JJBBRN Cc1c(C(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000014279467 555791241 /nfs/dbraw/zinc/79/12/41/555791241.db2.gz RFTUQDMSFMEYBH-UHFFFAOYSA-N 0 0 484.965 4.833 40 5 JJBBRN CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000020528623 555792936 /nfs/dbraw/zinc/79/29/36/555792936.db2.gz ZXKQWNVIIVIABM-UHFFFAOYSA-N 0 0 488.972 4.594 40 5 JJBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2cccc(Cl)c2)cc1 ZINC000014413355 555812616 /nfs/dbraw/zinc/81/26/16/555812616.db2.gz RPMDJYHZHXZYJG-UHFFFAOYSA-N 0 0 473.938 4.699 40 5 JJBBRN Cc1cc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000022257385 555905317 /nfs/dbraw/zinc/90/53/17/555905317.db2.gz AJCIDMQYOZRPDF-UHFFFAOYSA-N 0 0 458.902 4.813 40 5 JJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1C ZINC000015529215 555913380 /nfs/dbraw/zinc/91/33/80/555913380.db2.gz XVXYLRJJHUOBHM-UHFFFAOYSA-N 0 0 459.911 4.918 40 5 JJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1C ZINC000016065266 556126225 /nfs/dbraw/zinc/12/62/25/556126225.db2.gz LFZCRFXHURAJOC-UHFFFAOYSA-N 0 0 459.911 4.918 40 5 JJBBRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000016637112 556148952 /nfs/dbraw/zinc/14/89/52/556148952.db2.gz WGAQFXZHAQQQCQ-UHFFFAOYSA-N 0 0 455.323 4.767 40 5 JJBBRN Nc1nc(=O)n(CCCSc2ccc([N+](=O)[O-])cc2)cc1-c1ccc(Cl)c(Cl)c1 ZINC000017039640 556207580 /nfs/dbraw/zinc/20/75/80/556207580.db2.gz LMVFNWBJNOWIGW-UHFFFAOYSA-N 0 0 451.335 4.890 40 5 JJBBRN O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000032127515 556432172 /nfs/dbraw/zinc/43/21/72/556432172.db2.gz XRFWBVPTXQOMAE-UHFFFAOYSA-N 0 0 450.476 4.553 40 5 JJBBRN Cc1c(C(=O)NC(=S)NCc2ccc(-c3ccc(Br)cc3)o2)cccc1[N+](=O)[O-] ZINC000057316427 569597812 /nfs/dbraw/zinc/59/78/12/569597812.db2.gz GGUOPCQXJJQMLA-UHFFFAOYSA-N 0 0 474.336 4.730 40 5 JJBBRN O=C(c1ccc(-c2ccccc2)cc1)N1NC(C(F)(F)F)=C[C@]1(O)c1cccc([N+](=O)[O-])c1 ZINC000059489088 569605652 /nfs/dbraw/zinc/60/56/52/569605652.db2.gz LNUXZJDIZUVCQT-QFIPXVFZSA-N 0 0 455.392 4.871 40 5 JJBBRN CCn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000033671500 569630469 /nfs/dbraw/zinc/63/04/69/569630469.db2.gz AGZLTMUXSWRABS-UHFFFAOYSA-N 0 0 466.350 4.735 40 5 JJBBRN CCCOc1c(I)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000033707397 569631268 /nfs/dbraw/zinc/63/12/68/569631268.db2.gz SICKYVDMLOAEBM-UHFFFAOYSA-N 0 0 470.263 4.639 40 5 JJBBRN O=C(C1=C2C(O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12)c1cccc([N+](=O)[O-])c1 ZINC000033719455 569631858 /nfs/dbraw/zinc/63/18/58/569631858.db2.gz PIHWZSSHCMEQBB-CJRSTVEYSA-N 0 0 499.910 4.647 40 5 JJBBRN O=C(c1ccc(F)cc1)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN2[C@]12C(=O)Nc1ccccc12 ZINC000035851684 569716550 /nfs/dbraw/zinc/71/65/50/569716550.db2.gz KMUSJELYDWZHEY-FCBCXNLDSA-N 0 0 489.528 4.553 40 5 JJBBRN CC(=O)Nc1ccc(C(C)=O)c(OC(=O)c2cc(F)c(N(C)Cc3ccccc3)c(F)c2)c1[N+](=O)[O-] ZINC000096028288 569732120 /nfs/dbraw/zinc/73/21/20/569732120.db2.gz CPELRHANEAJYQU-UHFFFAOYSA-N 0 0 497.454 4.890 40 5 JJBBRN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 ZINC000036316836 569763447 /nfs/dbraw/zinc/76/34/47/569763447.db2.gz WYCBNYHPRJBYPC-JPYYHWIRSA-N 0 0 485.565 4.722 40 5 JJBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000101111002 569783205 /nfs/dbraw/zinc/78/32/05/569783205.db2.gz QFBRVYRJRGJSGC-FKBYEOEOSA-N 0 0 498.322 4.948 40 5 JJBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000101163401 569785181 /nfs/dbraw/zinc/78/51/81/569785181.db2.gz RYZYEFDVPIMKHC-SDHOMARFSA-N 0 0 465.465 4.799 40 5 JJBBRN CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 ZINC000101239500 569787908 /nfs/dbraw/zinc/78/79/08/569787908.db2.gz BFURDYFRTOVTEE-VABKMULXSA-N 0 0 493.903 4.698 40 5 JJBBRN COc1ccc(-c2nnc(NC(=O)c3cccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c3)o2)cc1 ZINC000039762022 569811668 /nfs/dbraw/zinc/81/16/68/569811668.db2.gz QXHALIVJPZJUPW-MDWZMJQESA-N 0 0 485.456 4.558 40 5 JJBBRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc4ccccc43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000102707372 569816669 /nfs/dbraw/zinc/81/66/69/569816669.db2.gz XDGUDTSUVLEHAK-SDHOMARFSA-N 0 0 465.465 4.799 40 5 JJBBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000102766970 569823058 /nfs/dbraw/zinc/82/30/58/569823058.db2.gz AWEMUSNXCYCNEW-HBMCJLEFSA-N 0 0 483.402 4.665 40 5 JJBBRN O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000106736617 569855284 /nfs/dbraw/zinc/85/52/84/569855284.db2.gz CXOWSZIDUGCIMC-XRVIQIRUSA-N 0 0 497.710 4.976 40 5 JJBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21 ZINC000138615862 569866033 /nfs/dbraw/zinc/86/60/33/569866033.db2.gz GHOONJYGIIHUAT-YXKFXFPPSA-N 0 0 488.327 4.656 40 5 JJBBRN O=[N+]([O-])/C=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000211579001 569876262 /nfs/dbraw/zinc/87/62/62/569876262.db2.gz HRAWYDZHBMPJGA-AATRIKPKSA-N 0 0 458.062 4.946 40 5 JJBBRN O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000215004184 569877111 /nfs/dbraw/zinc/87/71/11/569877111.db2.gz FCRQWFVIBYNZPO-YBFXNURJSA-N 0 0 451.416 5.000 40 5 JJBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222659302 569887857 /nfs/dbraw/zinc/88/78/57/569887857.db2.gz WUMXBOBWBZOIMF-IBGZPJMESA-N 0 0 466.365 4.776 40 5 JJBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222826288 569892044 /nfs/dbraw/zinc/89/20/44/569892044.db2.gz YDHIPTWYTHPEJN-INIZCTEOSA-N 0 0 478.014 4.813 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)o1 ZINC000222941536 569895052 /nfs/dbraw/zinc/89/50/52/569895052.db2.gz SGIXRISRAPUCNV-YADHBBJMSA-N 0 0 452.536 4.887 40 5 JJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)o1 ZINC000222941652 569895099 /nfs/dbraw/zinc/89/50/99/569895099.db2.gz SGIXRISRAPUCNV-VXKWHMMOSA-N 0 0 452.536 4.887 40 5 JJBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223145737 569901068 /nfs/dbraw/zinc/90/10/68/569901068.db2.gz PRRBSHISCXKOGD-QGZVFWFLSA-N 0 0 478.014 4.815 40 5 JJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223181386 569902356 /nfs/dbraw/zinc/90/23/56/569902356.db2.gz XTWPYPLYKAYMET-QFIPXVFZSA-N 0 0 471.623 4.859 40 5 JJBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223263856 569905379 /nfs/dbraw/zinc/90/53/79/569905379.db2.gz SGFIMUXIYPDSIZ-HFZDXXHNSA-N 0 0 473.573 4.692 40 5 JJBBRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223286236 569906227 /nfs/dbraw/zinc/90/62/27/569906227.db2.gz KREDDLKPLHADCJ-LJQANCHMSA-N 0 0 484.405 4.688 40 5 JJBBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000223434108 569911274 /nfs/dbraw/zinc/91/12/74/569911274.db2.gz NHFIZIPEZGALEE-LOSJGSFVSA-N 0 0 485.569 4.962 40 5 JJBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)o2)cc1 ZINC000223481968 569912840 /nfs/dbraw/zinc/91/28/40/569912840.db2.gz ZNHSWNBXQMAYGM-DHIUTWEWSA-N 0 0 457.515 4.818 40 5 JJBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)o2)c1 ZINC000223519906 569914422 /nfs/dbraw/zinc/91/44/22/569914422.db2.gz LZKMVDOCLZUAQZ-PKTZIBPZSA-N 0 0 457.515 4.818 40 5 JJBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)o2)cc1 ZINC000223561166 569916138 /nfs/dbraw/zinc/91/61/38/569916138.db2.gz KVQDCOQSQNRDMC-XZOQPEGZSA-N 0 0 457.515 4.818 40 5 JJBBRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223676917 569919699 /nfs/dbraw/zinc/91/96/99/569919699.db2.gz INSRRXXXKVYATR-JOCHJYFZSA-N 0 0 471.623 4.593 40 5 JJBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000223772704 569922812 /nfs/dbraw/zinc/92/28/12/569922812.db2.gz BTEFPWHNVSHJBB-ZEQRLZLVSA-N 0 0 471.542 4.966 40 5 JJBBRN Cc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223808015 569923971 /nfs/dbraw/zinc/92/39/71/569923971.db2.gz GIQUEUMQKHOHAR-LJQANCHMSA-N 0 0 469.607 4.613 40 5 JJBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223835867 569924721 /nfs/dbraw/zinc/92/47/21/569924721.db2.gz NLOZAJLFEJUNPM-CQSZACIVSA-N 0 0 484.405 4.688 40 5 JJBBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000223986814 569929572 /nfs/dbraw/zinc/92/95/72/569929572.db2.gz JOZJHZXSZYEJLJ-DQEYMECFSA-N 0 0 498.568 4.916 40 5 JJBBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000223987090 569929577 /nfs/dbraw/zinc/92/95/77/569929577.db2.gz XXGAJSAFDJCEEI-RPBOFIJWSA-N 0 0 498.568 4.916 40 5 JJBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223991515 569929688 /nfs/dbraw/zinc/92/96/88/569929688.db2.gz SWXJQADBMNHUNK-QHCPKHFHSA-N 0 0 487.622 4.560 40 5 JJBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224025456 569931021 /nfs/dbraw/zinc/93/10/21/569931021.db2.gz QRMDWHXZYXYIEB-AREMUKBSSA-N 0 0 473.573 4.612 40 5 JJBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224286138 569939339 /nfs/dbraw/zinc/93/93/39/569939339.db2.gz GZKMUHBSTAVIKG-NRFANRHFSA-N 0 0 457.958 4.657 40 5 JJBBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 ZINC000224542862 569947772 /nfs/dbraw/zinc/94/77/72/569947772.db2.gz SCMCDXFAVUMZIU-BJKOFHAPSA-N 0 0 471.542 4.966 40 5 JJBBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000224578255 569949306 /nfs/dbraw/zinc/94/93/06/569949306.db2.gz WNBQHOSZQZPBHW-RPWUZVMVSA-N 0 0 471.542 4.966 40 5 JJBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)cc1 ZINC000224614419 569950823 /nfs/dbraw/zinc/95/08/23/569950823.db2.gz HWHKZEBRZKKKIU-XZOQPEGZSA-N 0 0 457.515 4.663 40 5 JJBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1 ZINC000224614208 569950845 /nfs/dbraw/zinc/95/08/45/569950845.db2.gz KTWCBYQYVOWVOS-XZOQPEGZSA-N 0 0 457.515 4.663 40 5 JJBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224644247 569951973 /nfs/dbraw/zinc/95/19/73/569951973.db2.gz OLNJLGAMXNDHCX-IBGZPJMESA-N 0 0 469.607 4.694 40 5 JJBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224761795 569956545 /nfs/dbraw/zinc/95/65/45/569956545.db2.gz WHKZRBMXHPAKFY-KRWDZBQOSA-N 0 0 457.958 4.657 40 5 JJBBRN Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224823148 569959238 /nfs/dbraw/zinc/95/92/38/569959238.db2.gz OWLLETOGPOXOJR-AREMUKBSSA-N 0 0 473.573 4.610 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1)S(C)(=O)=O ZINC000224855643 569960405 /nfs/dbraw/zinc/96/04/05/569960405.db2.gz PTOSMHRDKLHMIM-UHFFFAOYSA-N 0 0 475.611 4.814 40 5 JJBBRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cc1Cl ZINC000408593973 569965260 /nfs/dbraw/zinc/96/52/60/569965260.db2.gz RAJXMSGDQHAIPB-UHFFFAOYSA-N 0 0 489.937 4.683 40 5 JJBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225100969 569975173 /nfs/dbraw/zinc/97/51/73/569975173.db2.gz KWTSGEPKUNNEBG-QHCPKHFHSA-N 0 0 451.567 4.702 40 5 JJBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225152365 569978456 /nfs/dbraw/zinc/97/84/56/569978456.db2.gz XZEZUUFEPBWCNS-GOSISDBHSA-N 0 0 487.597 4.833 40 5 JJBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225251232 569985852 /nfs/dbraw/zinc/98/58/52/569985852.db2.gz KRLYNPRBTBCAIC-GJZGRUSLSA-N 0 0 466.365 4.776 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225316036 569990091 /nfs/dbraw/zinc/99/00/91/569990091.db2.gz QEIQSSIFWGGMKS-CABCVRRESA-N 0 0 466.365 4.776 40 5 JJBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc32)c1 ZINC000408643360 569990208 /nfs/dbraw/zinc/99/02/08/569990208.db2.gz AKTAPHQPCZCNQP-UHFFFAOYSA-N 0 0 457.442 4.614 40 5 JJBBRN Cc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C2)cc1 ZINC000408647616 569992389 /nfs/dbraw/zinc/99/23/89/569992389.db2.gz JNWPWFJEMYJKRT-PGRDOPGGSA-N 0 0 472.497 4.738 40 5 JJBBRN O=C(CCCC(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000408655021 569996576 /nfs/dbraw/zinc/99/65/76/569996576.db2.gz CJFMYHCTPBHCMH-UHFFFAOYSA-N 0 0 477.473 4.678 40 5 JJBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225524517 570002390 /nfs/dbraw/zinc/00/23/90/570002390.db2.gz JOOIUKBIHPQIEB-VWLOTQADSA-N 0 0 491.613 4.523 40 5 JJBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225558182 570005589 /nfs/dbraw/zinc/00/55/89/570005589.db2.gz KQNDWEQZPWEGGW-AUSIDOKSSA-N 0 0 471.623 4.859 40 5 JJBBRN O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408668313 570005911 /nfs/dbraw/zinc/00/59/11/570005911.db2.gz VXBXWKHSSQDTCG-LMHXZZLNSA-N 0 0 465.292 4.692 40 5 JJBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]21 ZINC000408680406 570012176 /nfs/dbraw/zinc/01/21/76/570012176.db2.gz GERCOACNCQBUDN-PSGMQZRDSA-N 0 0 488.327 4.656 40 5 JJBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)c2ccccc2C1=O ZINC000408681686 570012680 /nfs/dbraw/zinc/01/26/80/570012680.db2.gz IFERRXYAKOXSIQ-UHFFFAOYSA-N 0 0 470.268 4.755 40 5 JJBBRN CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 ZINC000408682491 570012894 /nfs/dbraw/zinc/01/28/94/570012894.db2.gz JHPRRCUINVBKMU-MOPGFXCFSA-N 0 0 488.327 4.800 40 5 JJBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000408683312 570013194 /nfs/dbraw/zinc/01/31/94/570013194.db2.gz LCSUBGVNYBKRAK-ZNZDAUKMSA-N 0 0 490.343 4.880 40 5 JJBBRN CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000408684260 570013529 /nfs/dbraw/zinc/01/35/29/570013529.db2.gz NDSTXVWPCQMTRZ-RTBURBONSA-N 0 0 488.327 4.800 40 5 JJBBRN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000408684747 570013556 /nfs/dbraw/zinc/01/35/56/570013556.db2.gz NYFQHZNNJJUSMI-QFIPXVFZSA-N 0 0 471.918 4.855 40 5 JJBBRN O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000408685352 570013792 /nfs/dbraw/zinc/01/37/92/570013792.db2.gz PDXVXXHNDDJVKM-HOTGVXAUSA-N 0 0 476.316 4.634 40 5 JJBBRN Cc1ccc(C(=O)[C@H](CC(=O)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408689007 570014793 /nfs/dbraw/zinc/01/47/93/570014793.db2.gz XLGGCMWHIOKWJZ-QHCPKHFHSA-N 0 0 451.500 4.510 40 5 JJBBRN Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000225761900 570020551 /nfs/dbraw/zinc/02/05/51/570020551.db2.gz FTTUAMHBGKPSCV-HHHXNRCGSA-N 0 0 487.600 4.858 40 5 JJBBRN CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1 ZINC000408700352 570021101 /nfs/dbraw/zinc/02/11/01/570021101.db2.gz DPCDFYYRPMTHQY-UHFFFAOYSA-N 0 0 471.560 4.703 40 5 JJBBRN CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)CC1 ZINC000408702194 570022277 /nfs/dbraw/zinc/02/22/77/570022277.db2.gz LICSSAXAAQJHEB-UHFFFAOYSA-N 0 0 472.350 4.575 40 5 JJBBRN Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccccc2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]21 ZINC000408730628 570029023 /nfs/dbraw/zinc/02/90/23/570029023.db2.gz GRACRZGYACRUJA-ZFILCQGISA-N 0 0 494.503 4.733 40 5 JJBBRN O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000408737708 570030841 /nfs/dbraw/zinc/03/08/41/570030841.db2.gz NYFPALYHDISGDG-SANMLTNESA-N 0 0 485.584 4.903 40 5 JJBBRN O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)Nc1ccccc1 ZINC000408750510 570034006 /nfs/dbraw/zinc/03/40/06/570034006.db2.gz ODLXZCOJKQWMOE-UHFFFAOYSA-N 0 0 490.522 4.736 40 5 JJBBRN O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1ccc(F)cc1 ZINC000408869501 570059098 /nfs/dbraw/zinc/05/90/98/570059098.db2.gz RWGKOXKDAIOXNS-ODLFYWEKSA-N 0 0 467.434 4.669 40 5 JJBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)o1 ZINC000408884462 570063972 /nfs/dbraw/zinc/06/39/72/570063972.db2.gz YAUREIYWIAZEEP-JAIQZWGSSA-N 0 0 481.461 4.977 40 5 JJBBRN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3(Br)c3ccccc32)c([N+](=O)[O-])c1 ZINC000408918450 570076129 /nfs/dbraw/zinc/07/61/29/570076129.db2.gz KPHHIAUFPCIMJZ-ZKKFKWFVSA-N 0 0 489.325 4.806 40 5 JJBBRN Cc1c(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000408921087 570077216 /nfs/dbraw/zinc/07/72/16/570077216.db2.gz CVGVUWOBSIQJRW-HAVVHWLPSA-N 0 0 454.486 4.572 40 5 JJBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000408921307 570077381 /nfs/dbraw/zinc/07/73/81/570077381.db2.gz GAONITHCKQYDOG-YIXHJXPBSA-N 0 0 457.895 4.701 40 5 JJBBRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000408922439 570077659 /nfs/dbraw/zinc/07/76/59/570077659.db2.gz AUFGTWNSAIOBME-UHFFFAOYSA-N 0 0 471.560 4.576 40 5 JJBBRN O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCCCC1)OCc1ccccc1 ZINC000409002490 570096604 /nfs/dbraw/zinc/09/66/04/570096604.db2.gz NUKZSMSDOHSEDV-QHCPKHFHSA-N 0 0 453.539 4.661 40 5 JJBBRN CCOc1ccc(C2=N/C(=C/c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)O2)cc1 ZINC000409009188 570098954 /nfs/dbraw/zinc/09/89/54/570098954.db2.gz YRRBHIOWASZJHK-PXLXIMEGSA-N 0 0 458.426 4.557 40 5 JJBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 ZINC000409095192 570126420 /nfs/dbraw/zinc/12/64/20/570126420.db2.gz HMMQKSJPHLWTHV-BKUYFWCQSA-N 0 0 493.497 4.929 40 5 JJBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409152231 570149414 /nfs/dbraw/zinc/14/94/14/570149414.db2.gz AOFFLCDIFOIGNJ-CIAFOILYSA-N 0 0 493.497 4.847 40 5 JJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1nc(COc2ccc3c(c2)CCCC3)oc1=S ZINC000409161806 570152212 /nfs/dbraw/zinc/15/22/12/570152212.db2.gz ZIXFGDHRTSXSLB-UHFFFAOYSA-N 0 0 454.508 4.519 40 5 JJBBRN COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409166458 570153486 /nfs/dbraw/zinc/15/34/86/570153486.db2.gz FZMQOPGKBIDHHA-UDWIEESQSA-N 0 0 479.876 4.933 40 5 JJBBRN CC(C)c1ccccc1NC(=O)CSc1n[nH]c([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 ZINC000409171350 570154996 /nfs/dbraw/zinc/15/49/96/570154996.db2.gz ZNPBRFCFOXYHFE-OAQYLSRUSA-N 0 0 496.593 4.694 40 5 JJBBRN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409182246 570159768 /nfs/dbraw/zinc/15/97/68/570159768.db2.gz JMGVGSIIGHPZOG-UHFFFAOYSA-N 0 0 451.287 4.987 40 5 JJBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1cc(C(=O)OCc2cccc([N+](=O)[O-])c2)c2ccccc2n1 ZINC000409182846 570159984 /nfs/dbraw/zinc/15/99/84/570159984.db2.gz OPAIUXYLPXZGGR-UHFFFAOYSA-N 0 0 487.424 4.765 40 5 JJBBRN CC(=O)Oc1ccc(C(=O)COC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409183511 570160175 /nfs/dbraw/zinc/16/01/75/570160175.db2.gz URYUARFLJVKCCB-UHFFFAOYSA-N 0 0 496.453 4.619 40 5 JJBBRN COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000409187724 570160992 /nfs/dbraw/zinc/16/09/92/570160992.db2.gz AYNYLLXLQJEPFC-SDFSPDLMSA-N 0 0 470.437 4.567 40 5 JJBBRN Cc1cccc(C2=N/C(=C\c3ccccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)c1 ZINC000409195603 570163432 /nfs/dbraw/zinc/16/34/32/570163432.db2.gz WSOIGGQSGFZUJP-CEFCJMCMSA-N 0 0 454.438 4.867 40 5 JJBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O ZINC000409199291 570164592 /nfs/dbraw/zinc/16/45/92/570164592.db2.gz BGYLOXNUMZJUFF-LICLKQGHSA-N 0 0 464.883 4.888 40 5 JJBBRN CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O ZINC000409200864 570165268 /nfs/dbraw/zinc/16/52/68/570165268.db2.gz JURMWKFJEXXOHV-CAOOACKPSA-N 0 0 464.883 4.744 40 5 JJBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)cc1C ZINC000409211008 570169653 /nfs/dbraw/zinc/16/96/53/570169653.db2.gz LQSBJHDLHSYLGG-MFOYZWKCSA-N 0 0 490.335 4.649 40 5 JJBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000409212636 570170604 /nfs/dbraw/zinc/17/06/04/570170604.db2.gz RDHRHJDEUPORFD-YVLHZVERSA-N 0 0 490.335 4.595 40 5 JJBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409234223 570179065 /nfs/dbraw/zinc/17/90/65/570179065.db2.gz JFFXBXSKBHLTNF-OEAKJJBVSA-N 0 0 487.512 4.974 40 5 JJBBRN O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1cccc(F)c1 ZINC000409241666 570182289 /nfs/dbraw/zinc/18/22/89/570182289.db2.gz LIUDCCSJDQYBLA-ODLFYWEKSA-N 0 0 467.434 4.669 40 5 JJBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1/C=C/[N+](=O)[O-] ZINC000408537055 570190632 /nfs/dbraw/zinc/19/06/32/570190632.db2.gz ULAHHDYUVBTQJG-YTXTXJHMSA-N 0 0 498.083 4.986 40 5 JJBBRN CCCOc1c(I)cc(CNc2cccc([N+](=O)[O-])c2)cc1OCC ZINC000408558280 570198855 /nfs/dbraw/zinc/19/88/55/570198855.db2.gz QWLJXTZKRGXJQV-UHFFFAOYSA-N 0 0 456.280 4.999 40 5 JJBBRN O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000409309962 570198917 /nfs/dbraw/zinc/19/89/17/570198917.db2.gz OOMMFTKMOYSBRK-UHFFFAOYSA-N 0 0 480.329 4.736 40 5 JJBBRN CN1C[C@H](c2ccc(OCc3cccc(F)c3)c(Cl)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408569363 570204417 /nfs/dbraw/zinc/20/44/17/570204417.db2.gz VYXSHYYRQOVGKY-FMNCTDSISA-N 0 0 481.911 4.580 40 5 JJBBRN CN1C[C@H](c2ccc(OCc3cccc4ccccc43)cc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408570236 570204545 /nfs/dbraw/zinc/20/45/45/570204545.db2.gz ZXLCVJATWVFLRO-WOEHHYBBSA-N 0 0 479.536 4.941 40 5 JJBBRN COc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1Br ZINC000408572183 570204910 /nfs/dbraw/zinc/20/49/10/570204910.db2.gz QSLCHHHMYPFSDO-SFHVURJKSA-N 0 0 463.357 4.765 40 5 JJBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408574029 570205375 /nfs/dbraw/zinc/20/53/75/570205375.db2.gz HLFIJNDHVJAAFT-UHFFFAOYSA-N 0 0 466.302 4.955 40 5 JJBBRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)c(Cl)c2)cc1 ZINC000408582936 570207132 /nfs/dbraw/zinc/20/71/32/570207132.db2.gz GENVJQRJRZWDAQ-UHFFFAOYSA-N 0 0 489.937 4.683 40 5 JJBBRN