smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2Cl)CC1 ZINC000005644271 132307263 /nfs/dbraw/zinc/30/72/63/132307263.db2.gz YJQSNIWJRVOMOL-UHFFFAOYSA-N 0 0 402.882 3.951 40 5 HHBBRN CCN1CCN(c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000006241910 132309782 /nfs/dbraw/zinc/30/97/82/132309782.db2.gz XALGVKAQAFTXPC-UHFFFAOYSA-N 0 0 402.882 3.951 40 5 HHBBRN O=C(COc1ccccc1Cl)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000007092484 132322494 /nfs/dbraw/zinc/32/24/94/132322494.db2.gz BFUBZJVJQIETHM-UHFFFAOYSA-N 0 0 410.257 3.629 40 5 HHBBRN CCCCCCn1ccc2nc3ccn(-c4nc(SCC)n[nH]4)c(=O)c3cc2c1=O ZINC000040398904 520139341 /nfs/dbraw/zinc/13/93/41/520139341.db2.gz DDCLWXZOFHKODJ-UHFFFAOYSA-N 0 0 424.530 3.511 40 5 HHBBRN COc1cccc(OCc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000019927434 526236927 /nfs/dbraw/zinc/23/69/27/526236927.db2.gz AEVYJLWGWUGZND-UHFFFAOYSA-N 0 0 401.400 3.540 40 5 HHBBRN COc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc2c1OCO2 ZINC000013546621 558842371 /nfs/dbraw/zinc/84/23/71/558842371.db2.gz YWHBSLWZTJXTMG-PXNMLYILSA-N 0 0 414.395 3.569 40 5 HHBBRN O=C1C[C@@H](c2ccco2)Cc2nc3nc(SCc4ccc([N+](=O)[O-])cc4)nn3cc21 ZINC000013634290 558848846 /nfs/dbraw/zinc/84/88/46/558848846.db2.gz MQFHFRQGYVRIKK-ZDUSSCGKSA-N 0 0 421.438 3.831 40 5 HHBBRN Cc1cc(C)c(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(C)c1 ZINC000220388399 559068438 /nfs/dbraw/zinc/06/84/38/559068438.db2.gz IRDVJNPWZSELJZ-INIZCTEOSA-N 0 0 419.503 3.622 40 5 HHBBRN CCN(CC)C(=O)CSc1ncnc2c(-c3ccc([N+](=O)[O-])cc3)nsc21 ZINC000004886069 559196664 /nfs/dbraw/zinc/19/66/64/559196664.db2.gz PUKOSGMLTGOFOU-UHFFFAOYSA-N 0 0 403.489 3.622 40 5 HHBBRN CCOC(=O)c1cc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)n(-c2ccccc2)n1 ZINC000408528863 559215030 /nfs/dbraw/zinc/21/50/30/559215030.db2.gz LQUVSTSNKBSMPF-UHFFFAOYSA-N 0 0 415.789 3.830 40 5 HHBBRN Cc1ccc(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCC3)cc1[N+](=O)[O-] ZINC000408583694 559220070 /nfs/dbraw/zinc/22/00/70/559220070.db2.gz WRKWQKLTCDOOEL-UHFFFAOYSA-N 0 0 412.393 3.932 40 5 HHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccccc2C(F)(F)F)CC1=O ZINC000408638192 559222663 /nfs/dbraw/zinc/22/26/63/559222663.db2.gz BTEPIUIONRRQJG-NSHDSACASA-N 0 0 423.347 3.614 40 5 HHBBRN O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)CCC1=O ZINC000408684238 559224610 /nfs/dbraw/zinc/22/46/10/559224610.db2.gz NCHZSHVFOGXXNH-UHFFFAOYSA-N 0 0 422.224 3.608 40 5 HHBBRN C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000408685650 559224621 /nfs/dbraw/zinc/22/46/21/559224621.db2.gz PQUNIMCZYHTBBV-CDHQVMDDSA-N 0 0 421.453 3.573 40 5 HHBBRN CCn1c(COc2ccccc2F)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000409385090 559249384 /nfs/dbraw/zinc/24/93/84/559249384.db2.gz JBCMRFMJVVQSRX-UHFFFAOYSA-N 0 0 416.434 3.899 40 5 HHBBRN CCn1c(COc2ccccc2F)nnc1Sc1ccc([N+](=O)[O-])cc1C=O ZINC000409385065 559249441 /nfs/dbraw/zinc/24/94/41/559249441.db2.gz INIRBTYBUCSTGG-UHFFFAOYSA-N 0 0 402.407 3.888 40 5 HHBBRN O=c1n(Cc2ccccc2)c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2n1Cc1ccccc1 ZINC000004016280 560597162 /nfs/dbraw/zinc/59/71/62/560597162.db2.gz RYEZFSGKROWCOL-UHFFFAOYSA-N 0 0 404.382 3.716 40 5 HHBBRN Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000005549154 560607191 /nfs/dbraw/zinc/60/71/91/560607191.db2.gz ZCOPGHPDWGMNPY-YCIYHOANSA-N 0 0 410.429 3.780 40 5 HHBBRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000409007317 560664765 /nfs/dbraw/zinc/66/47/65/560664765.db2.gz PGFWRLRTDWVIBG-UHFFFAOYSA-N 0 0 400.416 3.596 40 5 HHBBRN COc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000409057739 560670596 /nfs/dbraw/zinc/67/05/96/560670596.db2.gz QOUMXUMTYHAOFW-UHFFFAOYSA-N 0 0 417.849 3.748 40 5 HHBBRN CCCOC(=O)c1cc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)ccc1Cl ZINC000409177623 560687414 /nfs/dbraw/zinc/68/74/14/560687414.db2.gz GZQKCFMZAOWJPG-UHFFFAOYSA-N 0 0 409.851 3.941 40 5 HHBBRN CCCN1C(=O)N/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O ZINC000409230348 560700156 /nfs/dbraw/zinc/70/01/56/560700156.db2.gz CDCJXTZFHHURPR-XDHOZWIPSA-N 0 0 404.426 3.901 40 5 HHBBRN O=C(CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1Cl ZINC000409246581 560701622 /nfs/dbraw/zinc/70/16/22/560701622.db2.gz IYJBKKGPNWSBTL-OQLLNIDSSA-N 0 0 417.830 3.923 40 5 HHBBRN CCC(=O)Oc1ccc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc1OC ZINC000000818011 568490252 /nfs/dbraw/zinc/49/02/52/568490252.db2.gz XQTPDBUCQCMDBJ-DHDCSXOGSA-N 0 0 410.382 3.572 40 5 HHBBRN COc1cc(OCC(=O)NCCSCc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000219821190 568498676 /nfs/dbraw/zinc/49/86/76/568498676.db2.gz FMKWYWNIGBTIHL-UHFFFAOYSA-N 0 0 410.879 3.685 40 5 HHBBRN COc1ccc(Cl)cc1-c1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000019929195 568585652 /nfs/dbraw/zinc/58/56/52/568585652.db2.gz CYPURNRTPFCPOH-UHFFFAOYSA-N 0 0 419.850 3.773 40 5 HHBBRN Cc1c(NC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)cccc1[N+](=O)[O-] ZINC000020063204 568586892 /nfs/dbraw/zinc/58/68/92/568586892.db2.gz KNYMVNLHJPJEBH-UHFFFAOYSA-N 0 0 423.450 3.718 40 5 HHBBRN CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000021578240 568719847 /nfs/dbraw/zinc/71/98/47/568719847.db2.gz XIWVTWFNIBYRBS-UHFFFAOYSA-N 0 0 420.853 3.542 40 5 HHBBRN CC[C@@H](C(=O)Nc1ccccc1SC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222524114 568761760 /nfs/dbraw/zinc/76/17/60/568761760.db2.gz SFBVUISCIISBED-INIZCTEOSA-N 0 0 423.516 3.500 40 5 HHBBRN COc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1Br ZINC000001041612 568764380 /nfs/dbraw/zinc/76/43/80/568764380.db2.gz DLBIKUKCJINMNO-ZROIWOOFSA-N 0 0 403.188 3.710 40 5 HHBBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(OC)c(OC)cc3[N+](=O)[O-])N21 ZINC000222649440 568766742 /nfs/dbraw/zinc/76/67/42/568766742.db2.gz UJEHBRXHYJFQQI-QQGDVQBRSA-N 0 0 414.487 3.986 40 5 HHBBRN CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225556334 568773274 /nfs/dbraw/zinc/77/32/74/568773274.db2.gz POVJGVDWFWUVPX-OAHLLOKOSA-N 0 0 417.893 3.733 40 5 HHBBRN O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000005846329 568825495 /nfs/dbraw/zinc/82/54/95/568825495.db2.gz PCKUNCAWWBINPM-UHFFFAOYSA-N 0 0 404.835 3.953 40 5 HHBBRN O=C(C=Cc1ccc(-c2ccccc2)o1)NC(=S)NNc1ccc([N+](=O)[O-])cc1 ZINC000057315812 568826448 /nfs/dbraw/zinc/82/64/48/568826448.db2.gz QMEHRMMRZPFULP-ACCUITESSA-N 0 0 408.439 3.886 40 5 HHBBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000223035852 568909972 /nfs/dbraw/zinc/90/99/72/568909972.db2.gz DTAVDRXSOZONKF-WOJBJXKFSA-N 0 0 424.482 3.869 40 5 HHBBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000223035471 568910062 /nfs/dbraw/zinc/91/00/62/568910062.db2.gz GBRFQFSIFFIXIZ-UXHICEINSA-N 0 0 424.482 3.869 40 5 HHBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccncc1 ZINC000003501809 568910400 /nfs/dbraw/zinc/91/04/00/568910400.db2.gz GLBUGYYEURFQPM-UHFFFAOYSA-N 0 0 418.866 3.652 40 5 HHBBRN C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223097416 568913877 /nfs/dbraw/zinc/91/38/77/568913877.db2.gz KVYJKGXRYCXWKJ-QGZVFWFLSA-N 0 0 411.502 3.512 40 5 HHBBRN COc1cccc(-c2noc(CN(C)C(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)c1 ZINC000218122314 568926233 /nfs/dbraw/zinc/92/62/33/568926233.db2.gz JCTNWHVRNDSUHX-UHFFFAOYSA-N 0 0 402.794 3.579 40 5 HHBBRN O=C(CSc1nnc(CNc2cccc(Cl)c2)o1)Nc1ccccc1[N+](=O)[O-] ZINC000008435634 569002939 /nfs/dbraw/zinc/00/29/39/569002939.db2.gz VQMALJYAMUNROV-UHFFFAOYSA-N 0 0 419.850 3.974 40 5 HHBBRN COc1cc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(OC)c1OC ZINC000006126894 569009445 /nfs/dbraw/zinc/00/94/45/569009445.db2.gz NTTBPUNGGYCFNI-UHFFFAOYSA-N 0 0 415.427 3.996 40 5 HHBBRN Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H](C)C(=O)NC1CCCC1 ZINC000223759876 569031455 /nfs/dbraw/zinc/03/14/55/569031455.db2.gz GEELWTFWUVWBID-GOSISDBHSA-N 0 0 423.513 3.922 40 5 HHBBRN O=C(CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)Nc1ccc([N+](=O)[O-])cc1 ZINC000006445560 569052629 /nfs/dbraw/zinc/05/26/29/569052629.db2.gz IMISBQGEQLYMKK-UHFFFAOYSA-N 0 0 416.484 3.502 40 5 HHBBRN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000006441662 569052636 /nfs/dbraw/zinc/05/26/36/569052636.db2.gz GSCAQZVXVGFNTM-UHFFFAOYSA-N 0 0 411.370 3.710 40 5 HHBBRN O=C(Cn1cnc([N+](=O)[O-])c1)Nc1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1 ZINC000006445585 569052699 /nfs/dbraw/zinc/05/26/99/569052699.db2.gz WGISZFKWLHNUQX-UHFFFAOYSA-N 0 0 417.765 3.784 40 5 HHBBRN CCn1ncc([N+](=O)[O-])c1C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000006490088 569059388 /nfs/dbraw/zinc/05/93/88/569059388.db2.gz JRJLASBPDAXSRS-UHFFFAOYSA-N 0 0 401.492 3.988 40 5 HHBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000224527468 569070107 /nfs/dbraw/zinc/07/01/07/569070107.db2.gz IJGMHDWNLVDKQJ-UHFFFAOYSA-N 0 0 415.402 3.787 40 5 HHBBRN O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)N1C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000138587024 569146306 /nfs/dbraw/zinc/14/63/06/569146306.db2.gz VKIRJIZHXLRABL-VJOPYQGCSA-N 0 0 417.377 3.952 40 5 HHBBRN Cc1ccc(OCC(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c(C)c1 ZINC000006964966 569190724 /nfs/dbraw/zinc/19/07/24/569190724.db2.gz UGVVQIAVIAVWGJ-UHFFFAOYSA-N 0 0 403.866 3.593 40 5 HHBBRN COc1cc(OC)cc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)c1 ZINC000017088359 569273303 /nfs/dbraw/zinc/27/33/03/569273303.db2.gz IPTCAEUAMMGIJS-UHFFFAOYSA-N 0 0 409.851 3.701 40 5 HHBBRN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1N1C(=O)c2ccccc2C1=O ZINC000017091008 569274195 /nfs/dbraw/zinc/27/41/95/569274195.db2.gz WDXAQLRSWAERFP-UHFFFAOYSA-N 0 0 417.377 3.656 40 5 HHBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225056866 569324815 /nfs/dbraw/zinc/32/48/15/569324815.db2.gz VKLJUGHZFGNBSP-ROUUACIJSA-N 0 0 411.502 3.778 40 5 HHBBRN Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cc2ccccc2o1 ZINC000006479956 569333059 /nfs/dbraw/zinc/33/30/59/569333059.db2.gz ZQNAWIBTRJSXSS-UHFFFAOYSA-N 0 0 409.427 3.867 40 5 HHBBRN CCc1cc(Br)ccc1NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000008433617 569340911 /nfs/dbraw/zinc/34/09/11/569340911.db2.gz AGUZECJNOCJFBB-UHFFFAOYSA-N 0 0 407.220 3.715 40 5 HHBBRN Cc1c(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000010336074 569343990 /nfs/dbraw/zinc/34/39/90/569343990.db2.gz ALIVITZCALTBTN-UHFFFAOYSA-N 0 0 419.503 3.605 40 5 HHBBRN CCn1c(CNC(=O)c2ccccc2C)nnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000033666864 569350962 /nfs/dbraw/zinc/35/09/62/569350962.db2.gz PFBLJKBRCQCCTG-UHFFFAOYSA-N 0 0 411.487 3.737 40 5 HHBBRN OCCCNC(=S)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 ZINC000104358554 569352626 /nfs/dbraw/zinc/35/26/26/569352626.db2.gz CCRANBSZLMWWKG-UHFFFAOYSA-N 0 0 414.494 3.548 40 5 HHBBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(OC)c(OC)cc3[N+](=O)[O-])N21 ZINC000260783860 569409778 /nfs/dbraw/zinc/40/97/78/569409778.db2.gz UJEHBRXHYJFQQI-HQOQDVMHSA-N 0 0 414.487 3.986 40 5 HHBBRN O=[N+]([O-])c1ccc(CNc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)cc1 ZINC000329031756 569423771 /nfs/dbraw/zinc/42/37/71/569423771.db2.gz QLAKJWVCGCZXFF-UHFFFAOYSA-N 0 0 404.474 3.647 40 5 HHBBRN CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(F)c([N+](=O)[O-])c3)cc21 ZINC000008834313 571122988 /nfs/dbraw/zinc/12/29/88/571122988.db2.gz VJRUSEYARMYKSN-UHFFFAOYSA-N 0 0 422.390 3.766 40 5 HHBBRN O=C(CCN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O)Oc1ccc(Cl)cc1 ZINC000008898197 571143594 /nfs/dbraw/zinc/14/35/94/571143594.db2.gz NDBSZERUWISCLP-UHFFFAOYSA-N 0 0 424.796 3.993 40 5 HHBBRN COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000007881895 961361036 /nfs/dbraw/zinc/36/10/36/961361036.db2.gz UHGLADWRDJJSEU-GFCCVEGCSA-N 0 0 403.822 3.557 40 5 HHBBRN O=[N+]([O-])c1cccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3Cc3ccc(F)cc3)n2)c1 ZINC000015675742 291260034 /nfs/dbraw/zinc/26/00/34/291260034.db2.gz CNMMEDYBQTUZIP-IBGZPJMESA-N 0 0 420.404 3.807 40 5 biogenic,in-vitro HHBBRN COc1ccc(OC)c(-c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)nn2)c1 ZINC000408527917 557296335 /nfs/dbraw/zinc/29/63/35/557296335.db2.gz DEQNKWWCZMDZBM-UHFFFAOYSA-N 0 0 415.789 3.942 40 5 HHBBRN Cc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1 ZINC000408609278 557532479 /nfs/dbraw/zinc/53/24/79/557532479.db2.gz QUDVOIBTSFHOHO-UHFFFAOYSA-N 0 0 411.439 3.956 40 5 HHBBRN CC(C)c1ccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220399790 559068974 /nfs/dbraw/zinc/06/89/74/559068974.db2.gz XPGHKUWAURLQFP-AWEZNQCLSA-N 0 0 405.476 3.511 40 5 HHBBRN CC(C)c1ccccc1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220410721 559076938 /nfs/dbraw/zinc/07/69/38/559076938.db2.gz GOCNSJBZLGVPOR-AWEZNQCLSA-N 0 0 405.476 3.511 40 5 HHBBRN O=C(Nc1cc2[nH]c(=O)[nH]c2cc1N1CCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000408528210 559215021 /nfs/dbraw/zinc/21/50/21/559215021.db2.gz FPVBBZBZMIRVJL-UHFFFAOYSA-N 0 0 401.810 3.683 40 5 HHBBRN O=C1c2cccc3c2c(cc([N+](=O)[O-])c3N2CCCC2)C(=O)N1c1ccccc1O ZINC000408532950 559216873 /nfs/dbraw/zinc/21/68/73/559216873.db2.gz NILLNLOFIDQTQQ-UHFFFAOYSA-N 0 0 403.394 3.854 40 5 HHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000408583251 559220055 /nfs/dbraw/zinc/22/00/55/559220055.db2.gz SWTUBAUFSIDCHG-UHFFFAOYSA-N 0 0 419.850 3.773 40 5 HHBBRN CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1[N+](=O)[O-] ZINC000408629054 559221750 /nfs/dbraw/zinc/22/17/50/559221750.db2.gz KFSITRVIRKVJTC-JTQLQIEISA-N 0 0 403.460 3.531 40 5 HHBBRN COc1ccc(OCc2nnc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1 ZINC000408637212 559222556 /nfs/dbraw/zinc/22/25/56/559222556.db2.gz HNLZSHHJKMVZED-UHFFFAOYSA-N 0 0 404.360 3.625 40 5 HHBBRN COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000408644724 559223167 /nfs/dbraw/zinc/22/31/67/559223167.db2.gz SVACQVMCXFYHJL-LBPRGKRZSA-N 0 0 403.822 3.557 40 5 HHBBRN Cc1ccc(C)n1N(CC(=O)c1cccc([N+](=O)[O-])c1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408682089 559224628 /nfs/dbraw/zinc/22/46/28/559224628.db2.gz IPLNQDQGFFGMHY-UHFFFAOYSA-N 0 0 422.397 3.583 40 5 HHBBRN O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)Nc1cccc(Cl)c1 ZINC000409159577 559242422 /nfs/dbraw/zinc/24/24/22/559242422.db2.gz NTASFTJGTRAGMH-OVCLIPMQSA-N 0 0 417.830 3.923 40 5 HHBBRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000409341176 559248017 /nfs/dbraw/zinc/24/80/17/559248017.db2.gz DEEYIDRVSUDQQJ-LICLKQGHSA-N 0 0 411.439 3.887 40 5 HHBBRN COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408808757 560643760 /nfs/dbraw/zinc/64/37/60/560643760.db2.gz FJVMBLFGRKUQQT-YVLHZVERSA-N 0 0 400.412 3.849 40 5 HHBBRN COCCN1C(=O)S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409131874 560680528 /nfs/dbraw/zinc/68/05/28/560680528.db2.gz YTZJCBLHSYTVIS-LDADJPATSA-N 0 0 414.439 3.857 40 5 HHBBRN CCn1c(COc2ccccc2F)nnc1Sc1ccc(C=O)cc1[N+](=O)[O-] ZINC000409384780 560717697 /nfs/dbraw/zinc/71/76/97/560717697.db2.gz DDULOMJYADSZPF-UHFFFAOYSA-N 0 0 402.407 3.888 40 5 HHBBRN O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1 ZINC000005899019 560738853 /nfs/dbraw/zinc/73/88/53/560738853.db2.gz JJAJBJSJOUXSEF-UHFFFAOYSA-N 0 0 414.893 3.714 40 5 HHBBRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-] ZINC000100918352 560762566 /nfs/dbraw/zinc/76/25/66/560762566.db2.gz INEDVKVVWCQTTM-ACRUOGEOSA-N 0 0 415.405 3.646 40 5 HHBBRN O=C(NCc1ccco1)c1cc2c(=O)n3ccccc3nc2nc1NC1CCCCC1 ZINC000020059567 560880414 /nfs/dbraw/zinc/88/04/14/560880414.db2.gz CIDKRTJJSXVLHD-UHFFFAOYSA-N 0 0 417.469 3.510 40 5 HHBBRN Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc([N+](=O)[O-])cc3Cl)nn12 ZINC000057312989 568490309 /nfs/dbraw/zinc/49/03/09/568490309.db2.gz QPAHYXSIIBPLSG-UHFFFAOYSA-N 0 0 414.834 3.975 40 5 HHBBRN O=C(Nc1ccc(I)cn1)c1cc([N+](=O)[O-])ccc1Cl ZINC000096957115 568765694 /nfs/dbraw/zinc/76/56/94/568765694.db2.gz LNDLQDCYSXEDES-UHFFFAOYSA-N 0 0 403.563 3.500 40 5 HHBBRN Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000026780120 568831325 /nfs/dbraw/zinc/83/13/25/568831325.db2.gz CDFVNNVDVWLJPP-UHFFFAOYSA-N 0 0 418.475 3.722 40 5 HHBBRN CC(C)[C@H](c1nnnn1C1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000057669502 568857480 /nfs/dbraw/zinc/85/74/80/568857480.db2.gz UTTNMCCTYZVVOH-HXUWFJFHSA-N 0 0 413.526 3.606 40 5 HHBBRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223048021 568910940 /nfs/dbraw/zinc/91/09/40/568910940.db2.gz QBNQWLMUFAENLE-SFHVURJKSA-N 0 0 411.502 3.779 40 5 HHBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223241327 568927976 /nfs/dbraw/zinc/92/79/76/568927976.db2.gz UOCLRQJMGLGQCU-MRXNPFEDSA-N 0 0 415.465 3.610 40 5 HHBBRN O=C(c1cccc(Cl)c1)N1NC(C(F)(F)F)=C[C@]1(O)c1cccc([N+](=O)[O-])c1 ZINC000059488945 568956427 /nfs/dbraw/zinc/95/64/27/568956427.db2.gz ZLOYYUXSNJOXDL-INIZCTEOSA-N 0 0 413.739 3.858 40 5 HHBBRN C[C@@H]1N=C(c2ccc(I)cc2)[C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)N21 ZINC000015931877 569022946 /nfs/dbraw/zinc/02/29/46/569022946.db2.gz PQXSWFOGRMAMAY-NUKPPHMFSA-N 0 0 419.222 3.774 40 5 HHBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000224526971 569070123 /nfs/dbraw/zinc/07/01/23/569070123.db2.gz DGGLIOISQOMSCN-UHFFFAOYSA-N 0 0 415.402 3.787 40 5 HHBBRN CCC(=O)n1c(CC)nc2c1SC(c1ccc([N+](=O)[O-])cc1)=NN2C(=O)CC ZINC000016777631 569262855 /nfs/dbraw/zinc/26/28/55/569262855.db2.gz ZEKODPLHFLVFCX-UHFFFAOYSA-N 0 0 401.448 3.614 40 5 HHBBRN Cc1ccccc1OCC(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br ZINC000017093773 569273290 /nfs/dbraw/zinc/27/32/90/569273290.db2.gz LJBPVHHQOXHZNU-UHFFFAOYSA-N 0 0 424.276 3.558 40 5 HHBBRN Cc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1I ZINC000017091201 569273662 /nfs/dbraw/zinc/27/36/62/569273662.db2.gz KMJZPURBBBHHNC-UHFFFAOYSA-N 0 0 417.590 3.809 40 5 HHBBRN O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccc(OCc2ccccc2)cc1 ZINC000017093046 569273666 /nfs/dbraw/zinc/27/36/66/569273666.db2.gz DBRUDMQZZDHSIX-UHFFFAOYSA-N 0 0 422.466 3.805 40 5 HHBBRN COc1ccc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1[N+](=O)[O-] ZINC000017094121 569273852 /nfs/dbraw/zinc/27/38/52/569273852.db2.gz SETRXBRPJJODQA-UHFFFAOYSA-N 0 0 424.822 3.600 40 5 HHBBRN CN1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000017088165 569274090 /nfs/dbraw/zinc/27/40/90/569274090.db2.gz XRZAAAXNXNCIGH-UHFFFAOYSA-N 0 0 409.273 3.906 40 5 HHBBRN Cc1c(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cccc1[N+](=O)[O-] ZINC000017091025 569274544 /nfs/dbraw/zinc/27/45/44/569274544.db2.gz PGPPDMINRLONGI-UHFFFAOYSA-N 0 0 417.428 3.548 40 5 HHBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224815015 569290495 /nfs/dbraw/zinc/29/04/95/569290495.db2.gz VSKGIBXWUPYASA-HNNXBMFYSA-N 0 0 417.893 3.734 40 5 HHBBRN COc1ccc(-c2noc(CN(C)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 ZINC000007721369 569302606 /nfs/dbraw/zinc/30/26/06/569302606.db2.gz OYLKOMQYOMIUMW-UHFFFAOYSA-N 0 0 402.794 3.579 40 5 HHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)cc1I ZINC000225016655 569323533 /nfs/dbraw/zinc/32/35/33/569323533.db2.gz CTGRVCQGNHZQMG-UHFFFAOYSA-N 0 0 412.183 3.769 40 5 HHBBRN COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1[N+](=O)[O-] ZINC000214983245 569323588 /nfs/dbraw/zinc/32/35/88/569323588.db2.gz HHSRCBWGDYBZBN-CXUHLZMHSA-N 0 0 415.383 3.748 40 5 HHBBRN CCOC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225059480 569324770 /nfs/dbraw/zinc/32/47/70/569324770.db2.gz IUTRBMUOHGQBAZ-UHFFFAOYSA-N 0 0 414.439 3.506 40 5 HHBBRN COc1cccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c1OC ZINC000215021428 569324792 /nfs/dbraw/zinc/32/47/92/569324792.db2.gz GHYKBVXAMVPLIU-MHWRWJLKSA-N 0 0 400.412 3.849 40 5 HHBBRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225104767 569325951 /nfs/dbraw/zinc/32/59/51/569325951.db2.gz BHIADVZFYNSSTD-FQEVSTJZSA-N 0 0 411.502 3.779 40 5 HHBBRN O=C(CNC(=O)c1cccs1)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000006471703 569332716 /nfs/dbraw/zinc/33/27/16/569332716.db2.gz QWOUXKGBZOSENL-UHFFFAOYSA-N 0 0 412.423 3.922 40 5 HHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2cccc3ccccc32)CC1=O ZINC000007928444 569338497 /nfs/dbraw/zinc/33/84/97/569338497.db2.gz SZYMWJJFFXIUIQ-HNNXBMFYSA-N 0 0 405.410 3.748 40 5 HHBBRN CCc1cc(Br)ccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000008433631 569340890 /nfs/dbraw/zinc/34/08/90/569340890.db2.gz HDCNCGZLILZHMW-UHFFFAOYSA-N 0 0 407.220 3.715 40 5 HHBBRN Cc1ccccc1OCc1nn(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(=S)o1 ZINC000008571598 569341843 /nfs/dbraw/zinc/34/18/43/569341843.db2.gz MSOVTMVIXSSSMR-UHFFFAOYSA-N 0 0 414.443 3.948 40 5 HHBBRN CCn1c(CNC(=O)c2ccccc2F)nnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000033625059 569350747 /nfs/dbraw/zinc/35/07/47/569350747.db2.gz WZPNXYKPLCQWRC-UHFFFAOYSA-N 0 0 415.450 3.568 40 5 HHBBRN CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000107734670 569352933 /nfs/dbraw/zinc/35/29/33/569352933.db2.gz KBIPLOLALBXHSY-AWEZNQCLSA-N 0 0 411.487 3.990 40 5 HHBBRN O=C(CSc1nnc2c3cc(Cl)ccc3[nH]c2n1)Nc1ccc([N+](=O)[O-])cc1 ZINC000009059358 569391400 /nfs/dbraw/zinc/39/14/00/569391400.db2.gz ANTGLHZRESBNRM-UHFFFAOYSA-N 0 0 414.834 3.799 40 5 HHBBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(OC)c(OC)cc3[N+](=O)[O-])N21 ZINC000260783850 569409708 /nfs/dbraw/zinc/40/97/08/569409708.db2.gz UJEHBRXHYJFQQI-DPMMWBKBSA-N 0 0 414.487 3.986 40 5 HHBBRN O=[N+]([O-])c1ccc(CNc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)cc1 ZINC000329004790 569423553 /nfs/dbraw/zinc/42/35/53/569423553.db2.gz KTPQIUGAGASBQK-UHFFFAOYSA-N 0 0 404.474 3.647 40 5 HHBBRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(-c2ccccc2)n1 ZINC000328980029 571305867 /nfs/dbraw/zinc/30/58/67/571305867.db2.gz GKSKODCNISQAJJ-GOSISDBHSA-N 0 0 411.437 4.363 40 5 HHBBRN Cc1nn(-c2ccccc2[N+](=O)[O-])c(C)c1[C@@H]1C=C[C@@H](NC(=S)NCC(C)C)C1 ZINC000008636103 291257739 /nfs/dbraw/zinc/25/77/39/291257739.db2.gz FQFGERUWUOJPBJ-IAGOWNOFSA-N 0 0 413.547 3.930 40 5 biogenic,in-vitro HHBBRN O=C(c1ccc([N+](=O)[O-])cc1)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)F ZINC000032101194 526715137 /nfs/dbraw/zinc/71/51/37/526715137.db2.gz FBOSGGHAEZDUNZ-INIZCTEOSA-N 0 0 413.739 3.749 40 5 HHBBRN O=C(COc1ccc(Cl)cc1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000006969769 526951456 /nfs/dbraw/zinc/95/14/56/526951456.db2.gz DXJLKTWKSJZCRM-UHFFFAOYSA-N 0 0 410.257 3.629 40 5 HHBBRN O=C(Nc1ccc(I)cc1)C1(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225990984 527219479 /nfs/dbraw/zinc/21/94/79/527219479.db2.gz UIPHRPTWLKEFHO-UHFFFAOYSA-N 0 0 408.195 3.870 40 5 HHBBRN COc1ccc(-c2ccc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)nn2)cc1OC ZINC000408534305 557320672 /nfs/dbraw/zinc/32/06/72/557320672.db2.gz UZQJUAHWIMIFCM-UHFFFAOYSA-N 0 0 415.789 3.942 40 5 HHBBRN CCOc1ccc([C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1OCC ZINC000013669913 558853207 /nfs/dbraw/zinc/85/32/07/558853207.db2.gz JMLVJMUPYUDXOC-AWEZNQCLSA-N 0 0 408.476 3.740 40 5 HHBBRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000004645045 558957107 /nfs/dbraw/zinc/95/71/07/558957107.db2.gz XNFKGSMEKKUZQJ-UHFFFAOYSA-N 0 0 411.439 3.956 40 5 HHBBRN Cc1cc(C)c(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(C)c1 ZINC000220388327 559068457 /nfs/dbraw/zinc/06/84/57/559068457.db2.gz IRDVJNPWZSELJZ-MRXNPFEDSA-N 0 0 419.503 3.622 40 5 HHBBRN CCc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229153 559169884 /nfs/dbraw/zinc/16/98/84/559169884.db2.gz LJNKTKKXSLKFQY-UHFFFAOYSA-N 0 0 402.882 3.815 40 5 HHBBRN CCN1CCN(c2cc(NC(=O)c3ccccc3F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229229 559170210 /nfs/dbraw/zinc/17/02/10/559170210.db2.gz NEYRQVUJDJDNGI-UHFFFAOYSA-N 0 0 406.845 3.782 40 5 HHBBRN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220571481 559173783 /nfs/dbraw/zinc/17/37/83/559173783.db2.gz MLVHKGOXXWSQTD-GOSISDBHSA-N 0 0 419.503 3.703 40 5 HHBBRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000006056935 559190228 /nfs/dbraw/zinc/19/02/28/559190228.db2.gz CKXOODQPSCIULZ-SNVBAGLBSA-N 0 0 413.213 3.851 40 5 HHBBRN COC(=O)c1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1 ZINC000408571060 559219317 /nfs/dbraw/zinc/21/93/17/559219317.db2.gz NDANDNJECIRFIM-GOSISDBHSA-N 0 0 412.471 3.781 40 5 HHBBRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1)N1CCCCCC1 ZINC000408584925 559220146 /nfs/dbraw/zinc/22/01/46/559220146.db2.gz WQOKGNIRZMSJFF-UHFFFAOYSA-N 0 0 418.475 3.804 40 5 HHBBRN CC(C)Oc1cccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000408628767 559221579 /nfs/dbraw/zinc/22/15/79/559221579.db2.gz XFWFIAUPEMRQDE-UHFFFAOYSA-N 0 0 403.866 3.998 40 5 HHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O ZINC000408639048 559222785 /nfs/dbraw/zinc/22/27/85/559222785.db2.gz DYXZZWUTFSMGJE-SNVBAGLBSA-N 0 0 424.240 3.902 40 5 HHBBRN COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 ZINC000408639680 559222835 /nfs/dbraw/zinc/22/28/35/559222835.db2.gz GUBSGVNYNSHUOC-SNVBAGLBSA-N 0 0 424.240 3.902 40 5 HHBBRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408643237 559223096 /nfs/dbraw/zinc/22/30/96/559223096.db2.gz QRLAPOLLWVSUGK-LBPRGKRZSA-N 0 0 418.247 3.657 40 5 HHBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)CCC1=O ZINC000408687835 559224594 /nfs/dbraw/zinc/22/45/94/559224594.db2.gz VGJUIXKUEQGVTD-UHFFFAOYSA-N 0 0 422.224 3.608 40 5 HHBBRN CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@@H]2C1 ZINC000408684148 559224667 /nfs/dbraw/zinc/22/46/67/559224667.db2.gz OFSWQTKNSOKEPK-RBUKOAKNSA-N 0 0 405.410 3.693 40 5 HHBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000409179768 559243530 /nfs/dbraw/zinc/24/35/30/559243530.db2.gz SFHDMJQZTIIOJV-GZTJUZNOSA-N 0 0 411.439 3.832 40 5 HHBBRN Cc1ccc(NC(=O)COC(=O)c2ccc(-c3ccc(C=O)o3)cc2)cc1[N+](=O)[O-] ZINC000409176782 559243653 /nfs/dbraw/zinc/24/36/53/559243653.db2.gz XOZGGKIZSZKISP-UHFFFAOYSA-N 0 0 408.366 3.771 40 5 HHBBRN COc1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000409184356 559244403 /nfs/dbraw/zinc/24/44/03/559244403.db2.gz WJNHBLLOPXXAPD-UHFFFAOYSA-N 0 0 412.423 3.689 40 5 HHBBRN COCCCN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O ZINC000409237034 559246748 /nfs/dbraw/zinc/24/67/48/559246748.db2.gz VAQGSYOBCHRRGH-GZTJUZNOSA-N 0 0 418.427 3.936 40 5 HHBBRN COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)Nc1c2c(nc3c1CCCC3)CCC2 ZINC000005319207 560564071 /nfs/dbraw/zinc/56/40/71/560564071.db2.gz GWRSLDCQYLFZCD-UHFFFAOYSA-N 0 0 410.474 3.684 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc2c(n1)[C@@]1(C)CC[C@@H]2C1(C)C ZINC000004130179 560599415 /nfs/dbraw/zinc/59/94/15/560599415.db2.gz HTNBCMOEQNYZLQ-RNODOKPDSA-N 0 0 413.503 3.994 40 5 HHBBRN CC1(C)Cc2ccccc2-c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n21 ZINC000004168145 560602214 /nfs/dbraw/zinc/60/22/14/560602214.db2.gz BIFSOTONAHUTSG-UHFFFAOYSA-N 0 0 409.471 3.875 40 5 HHBBRN CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000408994328 560663211 /nfs/dbraw/zinc/66/32/11/560663211.db2.gz YMPMLZISGPDQDU-QGZVFWFLSA-N 0 0 414.393 3.511 40 5 HHBBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000409018779 560666519 /nfs/dbraw/zinc/66/65/19/560666519.db2.gz ZEKLMYKDICILLP-OKHBPPCESA-N 0 0 416.411 3.843 40 5 HHBBRN Cc1[nH][nH]c(=O)c1C(c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)o1)c1c(C)[nH][nH]c1=O ZINC000409085054 560674166 /nfs/dbraw/zinc/67/41/66/560674166.db2.gz WKWRLVVDKOYKNZ-UHFFFAOYSA-N 0 0 409.402 3.818 40 5 HHBBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000409160831 560685057 /nfs/dbraw/zinc/68/50/57/560685057.db2.gz XLLXOMMPTQEWLO-MHWRWJLKSA-N 0 0 411.439 3.887 40 5 HHBBRN COCCCN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O ZINC000409230029 560700026 /nfs/dbraw/zinc/70/00/26/560700026.db2.gz BMIGINVNRKXXKG-LFIBNONCSA-N 0 0 415.427 3.855 40 5 HHBBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccs3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000102735661 560822366 /nfs/dbraw/zinc/82/23/66/560822366.db2.gz NHKZQPFXZRNZHB-OTWHNJEPSA-N 0 0 421.434 3.707 40 5 HHBBRN Cc1cccc(NC2=N[C@@H](c3cc([N+](=O)[O-])ccc3Cl)n3c(=O)cc(C)nc3N2)c1 ZINC000104017318 560847773 /nfs/dbraw/zinc/84/77/73/560847773.db2.gz JNHNEMVTCYXZKY-GOSISDBHSA-N 0 0 424.848 3.862 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000046869035 560878595 /nfs/dbraw/zinc/87/85/95/560878595.db2.gz LQRNWNFOQNTBSQ-UHFFFAOYSA-N 0 0 411.439 3.956 40 5 HHBBRN CC[C@@H](C)NC(=O)[C@H]1C[C@@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000110570539 560880129 /nfs/dbraw/zinc/88/01/29/560880129.db2.gz VEKGSQZLJLIFBP-QINHECLXSA-N 0 0 409.486 3.961 40 5 HHBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000219982936 568500739 /nfs/dbraw/zinc/50/07/39/568500739.db2.gz MOUYMTLWSKCSOI-UHFFFAOYSA-N 0 0 423.878 3.675 40 5 HHBBRN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220571164 568506976 /nfs/dbraw/zinc/50/69/76/568506976.db2.gz LETOXNVQROUGBO-LJQANCHMSA-N 0 0 419.503 3.703 40 5 HHBBRN CCC1=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@](O)(c2ccc(Br)cc2)C1 ZINC000000840559 568521418 /nfs/dbraw/zinc/52/14/18/568521418.db2.gz VQNALFZRPHYSHM-GOSISDBHSA-N 0 0 418.247 3.815 40 5 HHBBRN CC[C@H](C(=O)Nc1c(C)cccc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222531426 568762738 /nfs/dbraw/zinc/76/27/38/568762738.db2.gz GKAZLNISSTUWMZ-QGZVFWFLSA-N 0 0 419.503 3.703 40 5 HHBBRN COc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c([N+](=O)[O-])cc1OC ZINC000222565710 568763645 /nfs/dbraw/zinc/76/36/45/568763645.db2.gz RKDFNWFYSMGGEV-NBHSMZAVSA-N 0 0 400.460 3.596 40 5 HHBBRN COc1cc(OC)c([N+](=O)[O-])cc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222565991 568763749 /nfs/dbraw/zinc/76/37/49/568763749.db2.gz BBEXCTUEDSFGBB-NBHSMZAVSA-N 0 0 400.460 3.596 40 5 HHBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(CN2CCOCC2)cc1 ZINC000022418453 568767841 /nfs/dbraw/zinc/76/78/41/568767841.db2.gz TVAROPBJVJLZCC-XBXARRHUSA-N 0 0 401.850 3.732 40 5 HHBBRN COc1ccc(C)cc1S(=O)(=O)N(Cc1ccco1)Cc1ccc([N+](=O)[O-])cc1 ZINC000027914237 568772177 /nfs/dbraw/zinc/77/21/77/568772177.db2.gz GWPIBZDQUAMISF-UHFFFAOYSA-N 0 0 416.455 3.896 40 5 HHBBRN CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225536689 568772287 /nfs/dbraw/zinc/77/22/87/568772287.db2.gz PTIVWZZOONUMRT-HNNXBMFYSA-N 0 0 417.893 3.733 40 5 HHBBRN CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225556361 568773371 /nfs/dbraw/zinc/77/33/71/568773371.db2.gz POVJGVDWFWUVPX-HNNXBMFYSA-N 0 0 417.893 3.733 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccccc2)o1 ZINC000059200435 568945415 /nfs/dbraw/zinc/94/54/15/568945415.db2.gz SLLYZGHUUUFEBV-UHFFFAOYSA-N 0 0 400.416 3.596 40 5 HHBBRN COc1cccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)c1 ZINC000059200336 568945529 /nfs/dbraw/zinc/94/55/29/568945529.db2.gz UQGDCBBDAMAXFR-UHFFFAOYSA-N 0 0 400.416 3.693 40 5 HHBBRN CCOc1ccc(C(=O)NC(=S)Nc2cccc3nc(C)ccc32)cc1[N+](=O)[O-] ZINC000059294070 568950294 /nfs/dbraw/zinc/95/02/94/568950294.db2.gz LTTOMWFVCYZCPJ-UHFFFAOYSA-N 0 0 410.455 3.977 40 5 HHBBRN CNC(=O)/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccc(C)cc1 ZINC000001464390 568987832 /nfs/dbraw/zinc/98/78/32/568987832.db2.gz ILOGGTAYVKGEFJ-CPNJWEJPSA-N 0 0 405.410 3.680 40 5 HHBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)cc1)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000001512718 569007639 /nfs/dbraw/zinc/00/76/39/569007639.db2.gz RKHULYNMYFJETC-YQORSWRPSA-N 0 0 414.392 3.611 40 5 HHBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223564469 569029530 /nfs/dbraw/zinc/02/95/30/569029530.db2.gz GHBJHYQVNQSXNJ-HXUWFJFHSA-N 0 0 411.502 3.861 40 5 HHBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)o2)cc1 ZINC000223637578 569030681 /nfs/dbraw/zinc/03/06/81/569030681.db2.gz YCTMBRIICJTZCI-PMACEKPBSA-N 0 0 424.482 3.605 40 5 HHBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)o2)cc1 ZINC000223637533 569030685 /nfs/dbraw/zinc/03/06/85/569030685.db2.gz YCTMBRIICJTZCI-VQTJNVASSA-N 0 0 424.482 3.605 40 5 HHBBRN Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223794911 569031720 /nfs/dbraw/zinc/03/17/20/569031720.db2.gz SSLBSUSILJHMOV-SFHVURJKSA-N 0 0 423.513 3.922 40 5 HHBBRN O=C(NC(=S)Nc1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000016449450 569051448 /nfs/dbraw/zinc/05/14/48/569051448.db2.gz MMLFQXGIPDMMKA-UHFFFAOYSA-N 0 0 414.321 3.649 40 5 HHBBRN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000016637590 569061200 /nfs/dbraw/zinc/06/12/00/569061200.db2.gz QRYTVCCBMAUKIH-UHFFFAOYSA-N 0 0 400.460 3.850 40 5 HHBBRN CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224615687 569073819 /nfs/dbraw/zinc/07/38/19/569073819.db2.gz FTAVCNCTWCUCNM-OAHLLOKOSA-N 0 0 417.893 3.733 40 5 HHBBRN O=C(CCCC(=O)OCC(=O)Nc1ccccc1Cl)Nc1ccc([N+](=O)[O-])cc1 ZINC000139122968 569230943 /nfs/dbraw/zinc/23/09/43/569230943.db2.gz IPFVEUTWRNAJTF-UHFFFAOYSA-N 0 0 419.821 3.539 40 5 HHBBRN CC(=O)n1c(-c2ccccc2)nc2c1SC(c1cccc([N+](=O)[O-])c1)=NN2C(C)=O ZINC000016777624 569262876 /nfs/dbraw/zinc/26/28/76/569262876.db2.gz XWYKBTQDNVJRQJ-UHFFFAOYSA-N 0 0 421.438 3.939 40 5 HHBBRN CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(Br)cc1 ZINC000224735234 569286322 /nfs/dbraw/zinc/28/63/22/569286322.db2.gz SDKAYCOFYRXAJM-UHFFFAOYSA-N 0 0 415.265 3.581 40 5 HHBBRN COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c(OC)c1 ZINC000214898318 569293799 /nfs/dbraw/zinc/29/37/99/569293799.db2.gz MEQJYGIXOAOJCQ-RQZCQDPDSA-N 0 0 400.412 3.849 40 5 HHBBRN COc1ccc(-c2noc(CN(C)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 ZINC000007759346 569306812 /nfs/dbraw/zinc/30/68/12/569306812.db2.gz WBNDWWZZRHXBMO-UHFFFAOYSA-N 0 0 402.794 3.579 40 5 HHBBRN CCOC(=O)c1cc(N(CC)S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000225014182 569323462 /nfs/dbraw/zinc/32/34/62/569323462.db2.gz GAOCVKUHHAFLES-UHFFFAOYSA-N 0 0 412.851 3.640 40 5 HHBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1O ZINC000215027515 569323946 /nfs/dbraw/zinc/32/39/46/569323946.db2.gz QWKMLENWQZWGMK-LICLKQGHSA-N 0 0 400.412 3.936 40 5 HHBBRN CCOC(=O)CN(c1c(C)cc(C)cc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225086461 569325069 /nfs/dbraw/zinc/32/50/69/569325069.db2.gz QCOZZWIKJXYOEY-UHFFFAOYSA-N 0 0 420.487 3.587 40 5 HHBBRN CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000008203114 569339885 /nfs/dbraw/zinc/33/98/85/569339885.db2.gz CLWYCNIVHKUODZ-UHFFFAOYSA-N 0 0 411.487 3.737 40 5 HHBBRN Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000009820721 569394125 /nfs/dbraw/zinc/39/41/25/569394125.db2.gz OPHVZETYXMFISD-UHFFFAOYSA-N 0 0 417.878 3.698 40 5 HHBBRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4cccc([N+](=O)[O-])c4)c3)nn12 ZINC000010010263 569394891 /nfs/dbraw/zinc/39/48/91/569394891.db2.gz DGDNJVHQTPYFOY-UHFFFAOYSA-N 0 0 424.442 3.584 40 5 HHBBRN CC(C)[C@H](CO)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)n1 ZINC000328990383 571306069 /nfs/dbraw/zinc/30/60/69/571306069.db2.gz IOULKPYWFLRSQT-FQEVSTJZSA-N 0 0 407.474 4.093 40 5 HHBBRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(-c2ccccc2)n1 ZINC000328980030 571306135 /nfs/dbraw/zinc/30/61/35/571306135.db2.gz GKSKODCNISQAJJ-SFHVURJKSA-N 0 0 411.437 4.363 40 5 HHBBRN COc1c(O)ccc2oc3c(OC)c4c(c(O)c3c(=O)c21)[C@@H]1CCC[C@](C)(O4)O1 ZINC000031166238 291252174 /nfs/dbraw/zinc/25/21/74/291252174.db2.gz MTCOVRSZCNNQLP-MQJDWESPSA-N 0 0 400.383 3.725 40 5 biogenic,in-vitro HHBBRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 ZINC000020611868 132470338 /nfs/dbraw/zinc/47/03/38/132470338.db2.gz BBVJXNVZFGKSGY-UHFFFAOYSA-N 0 0 419.865 3.881 40 5 HHBBRN Cc1cc([N+](=O)[O-])ccc1-n1ccc2nc(N3CCc4ccccc4C3)ncc2c1=O ZINC000019959064 525558984 /nfs/dbraw/zinc/55/89/84/525558984.db2.gz XAPYWSJFNXCGFF-UHFFFAOYSA-N 0 0 413.437 3.560 40 5 HHBBRN O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1cc([N+](=O)[O-])ccc1Cl ZINC000032126978 527514509 /nfs/dbraw/zinc/51/45/09/527514509.db2.gz VNHSOSDGKCMGTH-UHFFFAOYSA-N 0 0 418.862 3.947 40 5 HHBBRN COc1cc(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000219825882 558287215 /nfs/dbraw/zinc/28/72/15/558287215.db2.gz AALJJQJKBRVCOB-UHFFFAOYSA-N 0 0 406.394 3.852 40 5 HHBBRN CCn1c2c(s/c1=N\C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CCc1ccccc1-2 ZINC000408560774 559218123 /nfs/dbraw/zinc/21/81/23/559218123.db2.gz FBKUGDXQTGGTDA-MRCUWXFGSA-N 0 0 424.438 3.893 40 5 HHBBRN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000408562167 559218583 /nfs/dbraw/zinc/21/85/83/559218583.db2.gz NRHNYQLNERNWSQ-UHFFFAOYSA-N 0 0 406.464 3.578 40 5 HHBBRN COC(=O)c1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1 ZINC000408576133 559219460 /nfs/dbraw/zinc/21/94/60/559219460.db2.gz XJSJSVXDFPZFNV-GOSISDBHSA-N 0 0 412.471 3.781 40 5 HHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2cc(Cl)ccc2C)CC1=O ZINC000408640915 559222977 /nfs/dbraw/zinc/22/29/77/559222977.db2.gz KJNCWLGXFFOFSP-LBPRGKRZSA-N 0 0 403.822 3.557 40 5 HHBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000408685651 559224483 /nfs/dbraw/zinc/22/44/83/559224483.db2.gz PQUNIMCZYHTBBV-XPGWFJOJSA-N 0 0 421.453 3.573 40 5 HHBBRN O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1cccc([N+](=O)[O-])c1 ZINC000408705049 559225148 /nfs/dbraw/zinc/22/51/48/559225148.db2.gz XLBRBTQMRTYVMZ-UHFFFAOYSA-N 0 0 411.439 3.676 40 5 HHBBRN Cc1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1[N+](=O)[O-] ZINC000409169580 559243351 /nfs/dbraw/zinc/24/33/51/559243351.db2.gz QBPKFLMHKIDGJU-UHFFFAOYSA-N 0 0 415.387 3.592 40 5 HHBBRN COc1cc(NC(C)=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409181863 559243591 /nfs/dbraw/zinc/24/35/91/559243591.db2.gz GDCNPXXSJFZHQD-UHFFFAOYSA-N 0 0 420.805 3.563 40 5 HHBBRN CCC(=O)Nc1cc(OC)c(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000409183521 560688819 /nfs/dbraw/zinc/68/88/19/560688819.db2.gz UXRIDYIDYLWPLN-UHFFFAOYSA-N 0 0 420.805 3.645 40 5 HHBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O)Nc1ccccc1Cl ZINC000409245461 560701359 /nfs/dbraw/zinc/70/13/59/560701359.db2.gz UATVITSDIKUKQO-OQLLNIDSSA-N 0 0 417.830 3.923 40 5 HHBBRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)c1 ZINC000409348835 560713387 /nfs/dbraw/zinc/71/33/87/560713387.db2.gz TXGUBRKPCVEOGR-LICLKQGHSA-N 0 0 411.439 3.887 40 5 HHBBRN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000103718745 560844029 /nfs/dbraw/zinc/84/40/29/560844029.db2.gz MCDBHWFZZCXLSG-SNVBAGLBSA-N 0 0 411.311 3.744 40 5 HHBBRN O=Cc1cn(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccc(Br)cc12 ZINC000017082320 560862155 /nfs/dbraw/zinc/86/21/55/560862155.db2.gz NSEHWJILLCUCCU-UHFFFAOYSA-N 0 0 402.204 3.763 40 5 HHBBRN CC(C)OC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O ZINC000106754623 560893696 /nfs/dbraw/zinc/89/36/96/560893696.db2.gz KDMGPOLJBIBFTH-QCDXTXTGSA-N 0 0 419.242 3.890 40 5 HHBBRN O=C(c1ccc(Cl)cc1)N1NC(C(F)(F)F)=C[C@@]1(O)c1cccc([N+](=O)[O-])c1 ZINC000000728799 568466195 /nfs/dbraw/zinc/46/61/95/568466195.db2.gz OJPCRDFJJGKQLZ-MRXNPFEDSA-N 0 0 413.739 3.858 40 5 HHBBRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000057317229 568491056 /nfs/dbraw/zinc/49/10/56/568491056.db2.gz TZNYMLHUARKDJM-UHFFFAOYSA-N 0 0 417.746 3.767 40 5 HHBBRN COc1ccc([C@@H](CC(C)C)NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000219826711 568498852 /nfs/dbraw/zinc/49/88/52/568498852.db2.gz ASURGOSSXDNSPZ-GOSISDBHSA-N 0 0 402.447 3.894 40 5 HHBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1n[nH]c(-c2ccccc2Cl)n1 ZINC000019928169 568585712 /nfs/dbraw/zinc/58/57/12/568585712.db2.gz KXOFJUUQGCBWEH-UHFFFAOYSA-N 0 0 419.850 3.773 40 5 HHBBRN Cn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 ZINC000000869884 568714072 /nfs/dbraw/zinc/71/40/72/568714072.db2.gz SWKMADRUFVXSBC-UHFFFAOYSA-N 0 0 403.851 3.775 40 5 HHBBRN CCc1ccccc1NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222372138 568752544 /nfs/dbraw/zinc/75/25/44/568752544.db2.gz FOYYJNGYCKDROA-UHFFFAOYSA-N 0 0 419.503 3.651 40 5 HHBBRN Cc1ccc(C)c(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000222371791 568752579 /nfs/dbraw/zinc/75/25/79/568752579.db2.gz SHRHAAJLSGVVAZ-UHFFFAOYSA-N 0 0 419.503 3.705 40 5 HHBBRN CCN(c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1)S(=O)(=O)CC ZINC000222399064 568756755 /nfs/dbraw/zinc/75/67/55/568756755.db2.gz JEAXPGNTEDJRLC-UHFFFAOYSA-N 0 0 411.867 3.677 40 5 HHBBRN CCc1ccccc1NC(=O)[C@@H](CC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222531784 568762749 /nfs/dbraw/zinc/76/27/49/568762749.db2.gz LNFIEGDHVJEGRL-GOSISDBHSA-N 0 0 419.503 3.649 40 5 HHBBRN CC[C@H](C(=O)Nc1ccc(C)cc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222531129 568762777 /nfs/dbraw/zinc/76/27/77/568762777.db2.gz ZGBDXRLHPXBQHX-GOSISDBHSA-N 0 0 419.503 3.703 40 5 HHBBRN CC[C@@H](C(=O)Nc1cc(C)cc(C)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222531502 568762788 /nfs/dbraw/zinc/76/27/88/568762788.db2.gz PMDXEYKJNHHKSC-SFHVURJKSA-N 0 0 419.503 3.703 40 5 HHBBRN O=c1c2ccccc2nc(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1-c1ccccc1 ZINC000005948166 568831315 /nfs/dbraw/zinc/83/13/15/568831315.db2.gz LOOPQMIDVIPWBF-UHFFFAOYSA-N 0 0 402.366 3.793 40 5 HHBBRN Cc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)cc1[N+](=O)[O-] ZINC000001224420 568838437 /nfs/dbraw/zinc/83/84/37/568838437.db2.gz OURIGDOXRDUNGK-UHFFFAOYSA-N 0 0 420.454 3.763 40 5 HHBBRN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000015390382 568885231 /nfs/dbraw/zinc/88/52/31/568885231.db2.gz CCSDBAPYHVZWLF-UHFFFAOYSA-N 0 0 403.394 3.763 40 5 HHBBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000223026712 568909508 /nfs/dbraw/zinc/90/95/08/568909508.db2.gz CFHSWVADRSDDDX-PMACEKPBSA-N 0 0 424.482 3.869 40 5 HHBBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000223035660 568909996 /nfs/dbraw/zinc/90/99/96/568909996.db2.gz DTAVDRXSOZONKF-PMACEKPBSA-N 0 0 424.482 3.869 40 5 HHBBRN O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000001349263 568915150 /nfs/dbraw/zinc/91/51/50/568915150.db2.gz BCHYPPYHGXTLAI-UHFFFAOYSA-N 0 0 412.446 3.820 40 5 HHBBRN CCN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000218054530 568924961 /nfs/dbraw/zinc/92/49/61/568924961.db2.gz QJDHTVSHLVXDOA-UHFFFAOYSA-N 0 0 418.500 3.988 40 5 HHBBRN COc1cc(/C=C2/N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc(OC)c1OC ZINC000001515597 569007640 /nfs/dbraw/zinc/00/76/40/569007640.db2.gz DHEPKFYNBKZJNB-MKMNVTDBSA-N 0 0 418.789 3.619 40 5 HHBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)o1 ZINC000223630962 569030690 /nfs/dbraw/zinc/03/06/90/569030690.db2.gz NWUUOSHTRUIZAE-VQTJNVASSA-N 0 0 424.482 3.605 40 5 HHBBRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223781635 569031661 /nfs/dbraw/zinc/03/16/61/569031661.db2.gz SITPQSVJZSQLDT-OAHLLOKOSA-N 0 0 417.893 3.734 40 5 HHBBRN COc1ccc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Br ZINC000016347829 569031876 /nfs/dbraw/zinc/03/18/76/569031876.db2.gz SUCSGAPTRBAEOX-UHFFFAOYSA-N 0 0 424.276 3.801 40 5 HHBBRN O=C(COc1ccccc1[N+](=O)[O-])NC(=S)Nc1nc2ccc(Cl)cc2s1 ZINC000016450531 569051432 /nfs/dbraw/zinc/05/14/32/569051432.db2.gz AIKFYZVDOFBBSM-UHFFFAOYSA-N 0 0 422.875 3.750 40 5 HHBBRN O=C(N/C(=C\C=C/c1ccccc1)C(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000006440750 569052662 /nfs/dbraw/zinc/05/26/62/569052662.db2.gz RZFODZWMXIGJKS-XZSIZXQSSA-N 0 0 405.454 3.934 40 5 HHBBRN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000016491416 569056046 /nfs/dbraw/zinc/05/60/46/569056046.db2.gz CORLEGKEIPALGR-UHFFFAOYSA-N 0 0 417.487 3.557 40 5 HHBBRN CCOc1ccccc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000017089875 569273616 /nfs/dbraw/zinc/27/36/16/569273616.db2.gz GVHZTQKIVNMWMV-UHFFFAOYSA-N 0 0 414.487 3.721 40 5 HHBBRN COc1cc2sc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])nc2cc1Cl ZINC000017093309 569273638 /nfs/dbraw/zinc/27/36/38/569273638.db2.gz HORUQUZMTQXQCC-UHFFFAOYSA-N 0 0 422.875 3.993 40 5 HHBBRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000017093774 569274382 /nfs/dbraw/zinc/27/43/82/569274382.db2.gz QIVSIORMVOPGOF-UHFFFAOYSA-N 0 0 424.276 3.801 40 5 HHBBRN Cc1c(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)cccc1[N+](=O)[O-] ZINC000017088844 569274397 /nfs/dbraw/zinc/27/43/97/569274397.db2.gz MBQUDQLQFDMLNO-UHFFFAOYSA-N 0 0 411.439 3.782 40 5 HHBBRN Cc1c(C(=O)NC(=S)Nc2ccc(Br)cc2F)cccc1[N+](=O)[O-] ZINC000017089085 569274506 /nfs/dbraw/zinc/27/45/06/569274506.db2.gz KVCOWPGHISWLQU-UHFFFAOYSA-N 0 0 412.240 3.932 40 5 HHBBRN CCOC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224767419 569288547 /nfs/dbraw/zinc/28/85/47/569288547.db2.gz UIUAPAJQOMOTLU-UHFFFAOYSA-N 0 0 420.487 3.785 40 5 HHBBRN CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000224789906 569289574 /nfs/dbraw/zinc/28/95/74/569289574.db2.gz GLSIKUCGOSNRKI-UHFFFAOYSA-N 0 0 412.851 3.558 40 5 HHBBRN CCOC(=O)c1ccc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1Cl ZINC000225092097 569325373 /nfs/dbraw/zinc/32/53/73/569325373.db2.gz XZUIEHSBIGDJRZ-UHFFFAOYSA-N 0 0 412.851 3.558 40 5 HHBBRN CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nn12 ZINC000006710862 569334517 /nfs/dbraw/zinc/33/45/17/569334517.db2.gz RDYLHYHYMRKXML-UHFFFAOYSA-N 0 0 408.443 3.884 40 5 HHBBRN CCOC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000009062459 569342160 /nfs/dbraw/zinc/34/21/60/569342160.db2.gz AXXBUVFMGBFUJN-UHFFFAOYSA-N 0 0 413.415 3.934 40 5 HHBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1 ZINC000012493915 569401614 /nfs/dbraw/zinc/40/16/14/569401614.db2.gz DGCNECFJFXMLQW-UHFFFAOYSA-N 0 0 420.454 3.763 40 5 HHBBRN COc1ccc(Nc2cc(C(F)(F)F)nc(NC3CCCCC3)n2)c([N+](=O)[O-])c1 ZINC000328996678 569423267 /nfs/dbraw/zinc/42/32/67/569423267.db2.gz JLGDXMHBCYQSDC-UHFFFAOYSA-N 0 0 411.384 3.744 40 5 HHBBRN CC(C)CC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000039749583 571134333 /nfs/dbraw/zinc/13/43/33/571134333.db2.gz BUSQBPRJFUIYFY-UHFFFAOYSA-N 0 0 409.402 3.882 40 5 HHBBRN C/C=C/C(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000039760824 571134362 /nfs/dbraw/zinc/13/43/62/571134362.db2.gz BHTDQWSTMVKUTH-NSCUHMNNSA-N 0 0 409.427 3.880 40 5 HHBBRN CC(C)[C@H](CO)Nc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2ccccc2)n1 ZINC000328959273 571306130 /nfs/dbraw/zinc/30/61/30/571306130.db2.gz ASOFCGWGFHVTST-FQEVSTJZSA-N 0 0 407.474 4.093 40 5 HHBBRN CC(C)[C@H](CO)Nc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2ccccc2)n1 ZINC000328988999 571306176 /nfs/dbraw/zinc/30/61/76/571306176.db2.gz IHMMPXHZEPPGDQ-IBGZPJMESA-N 0 0 407.474 4.093 40 5 HHBBRN CC(C)(C)OC(=O)N1CC[C@@H](Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000044713526 518812882 /nfs/dbraw/zinc/81/28/82/518812882.db2.gz DBLXCJSPHCRQFO-SNVBAGLBSA-N 0 0 421.328 3.910 40 5 HHBBRN CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O ZINC000032194112 520772942 /nfs/dbraw/zinc/77/29/42/520772942.db2.gz MOSUPAIZQQWIDQ-SXGWCWSVSA-N 0 0 416.411 3.763 40 5 HHBBRN CNc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329027178 524037105 /nfs/dbraw/zinc/03/71/05/524037105.db2.gz PRKPDPIFMPGEAT-UHFFFAOYSA-N 0 0 423.326 3.719 40 5 HHBBRN COc1cccc(NC(=O)c2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)c1 ZINC000059948758 558619207 /nfs/dbraw/zinc/61/92/07/558619207.db2.gz SVIUKHBOQPSECQ-UHFFFAOYSA-N 0 0 417.377 3.656 40 5 HHBBRN CCOc1ccc(C(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)cc1Br ZINC000073642356 558850333 /nfs/dbraw/zinc/85/03/33/558850333.db2.gz CYCURDNIFSKIBE-UHFFFAOYSA-N 0 0 418.247 3.835 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000220379313 559066047 /nfs/dbraw/zinc/06/60/47/559066047.db2.gz OMJSCOREYRFUHR-HNNXBMFYSA-N 0 0 419.503 3.820 40 5 HHBBRN O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000013982761 559110064 /nfs/dbraw/zinc/11/00/64/559110064.db2.gz LYQGOTXOIFBJJW-UHFFFAOYSA-N 0 0 412.402 3.818 40 5 HHBBRN CN1CCN(c2cc(NC(=O)c3ccc(Cl)cc3)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229362 559170093 /nfs/dbraw/zinc/17/00/93/559170093.db2.gz AGXMXXIYTXBQDG-UHFFFAOYSA-N 0 0 409.273 3.906 40 5 HHBBRN Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)NC1CCCCC1 ZINC000408550135 559217123 /nfs/dbraw/zinc/21/71/23/559217123.db2.gz BTUOHEZFGJBVCR-UHFFFAOYSA-N 0 0 417.487 3.767 40 5 HHBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)n1-c1ccc(F)cc1 ZINC000408576518 559218919 /nfs/dbraw/zinc/21/89/19/559218919.db2.gz XODDRAGCPMKWOG-KRWDZBQOSA-N 0 0 402.407 3.554 40 5 HHBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)n1-c1ccc(F)cc1 ZINC000408576520 559218990 /nfs/dbraw/zinc/21/89/90/559218990.db2.gz XODDRAGCPMKWOG-QGZVFWFLSA-N 0 0 402.407 3.554 40 5 HHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cc(C)ccc2C(C)C)CC1=O ZINC000408658550 559223824 /nfs/dbraw/zinc/22/38/24/559223824.db2.gz JPTOYPVBRBHSLJ-OAHLLOKOSA-N 0 0 412.442 3.994 40 5 HHBBRN COC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000408675722 559224042 /nfs/dbraw/zinc/22/40/42/559224042.db2.gz BWBQWWJAZOBSTR-UHFFFAOYSA-N 0 0 419.393 3.886 40 5 HHBBRN CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000408686150 559224603 /nfs/dbraw/zinc/22/46/03/559224603.db2.gz SCPPVUITDRHANX-FUHWJXTLSA-N 0 0 405.410 3.693 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCSCc1ccc(Cl)cc1 ZINC000408706363 559225171 /nfs/dbraw/zinc/22/51/71/559225171.db2.gz GXXNMCOSUJNAFZ-UHFFFAOYSA-N 0 0 400.909 3.768 40 5 HHBBRN O=C1N/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1F ZINC000409072008 559239773 /nfs/dbraw/zinc/23/97/73/559239773.db2.gz RFJOUTPKTADDPE-XDHOZWIPSA-N 0 0 406.373 3.618 40 5 HHBBRN CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409129165 559240839 /nfs/dbraw/zinc/24/08/39/559240839.db2.gz RADVSNOCXZNACI-AWEZNQCLSA-N 0 0 411.487 3.843 40 5 HHBBRN O=c1/c(=C\c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)sc2nc3ccccc3n12 ZINC000408840968 560646074 /nfs/dbraw/zinc/64/60/74/560646074.db2.gz HUVZVGYXDWCZAO-VCHYOVAHSA-N 0 0 407.382 3.764 40 5 HHBBRN O=[N+]([O-])Nc1ccc(C(c2ccc(N[N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000104151761 560848973 /nfs/dbraw/zinc/84/89/73/560848973.db2.gz KYPSTUVCTLISCO-UHFFFAOYSA-N 0 0 409.358 3.982 40 5 HHBBRN CCOc1ccc(C(=O)NC(=S)Nc2cccc3ccc(C)nc32)cc1[N+](=O)[O-] ZINC000057315834 568492043 /nfs/dbraw/zinc/49/20/43/568492043.db2.gz HCUUOJOQVFEILG-UHFFFAOYSA-N 0 0 410.455 3.977 40 5 HHBBRN CC(=O)N(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)cc1Cl ZINC000000820902 568497874 /nfs/dbraw/zinc/49/78/74/568497874.db2.gz QRWAOBVNHOOCFC-UHFFFAOYSA-N 0 0 408.197 3.508 40 5 HHBBRN Cc1cccc(C(C)C)c1NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O ZINC000220030420 568501325 /nfs/dbraw/zinc/50/13/25/568501325.db2.gz ZQDOMKMLJDKAIJ-UHFFFAOYSA-N 0 0 419.503 3.740 40 5 HHBBRN COc1cccc(OCc2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000019927431 568585749 /nfs/dbraw/zinc/58/57/49/568585749.db2.gz WACPLEMIRLCIIR-UHFFFAOYSA-N 0 0 401.400 3.540 40 5 HHBBRN Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000020063239 568586731 /nfs/dbraw/zinc/58/67/31/568586731.db2.gz ZPBCYAOFGSESTD-UHFFFAOYSA-N 0 0 423.450 3.718 40 5 HHBBRN Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)c1 ZINC000020197011 568593255 /nfs/dbraw/zinc/59/32/55/568593255.db2.gz RFWKYDLZFCNNAV-UHFFFAOYSA-N 0 0 414.443 3.904 40 5 HHBBRN Cc1nnc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)n1Cc1ccccc1 ZINC000000877773 568726287 /nfs/dbraw/zinc/72/62/87/568726287.db2.gz SARHJXUYATXTAN-AWEZNQCLSA-N 0 0 411.487 3.971 40 5 HHBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222415515 568758394 /nfs/dbraw/zinc/75/83/94/568758394.db2.gz ZKNBWNBWDUJPGH-FQEVSTJZSA-N 0 0 411.502 3.778 40 5 HHBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222608657 568764841 /nfs/dbraw/zinc/76/48/41/568764841.db2.gz NJFBZOISFWNYNI-LJQANCHMSA-N 0 0 415.465 3.608 40 5 HHBBRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000015355317 568877637 /nfs/dbraw/zinc/87/76/37/568877637.db2.gz CAVBVILLNOQQEH-UHFFFAOYSA-N 0 0 400.372 3.644 40 5 HHBBRN Cn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccccc1 ZINC000003506265 568910377 /nfs/dbraw/zinc/91/03/77/568910377.db2.gz FVNMNIVMNVZXTO-UHFFFAOYSA-N 0 0 403.851 3.775 40 5 HHBBRN COc1ccc(OC)c(/C=C2/SC(=O)N(CNc3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000059457340 568955548 /nfs/dbraw/zinc/95/55/48/568955548.db2.gz ALRWERLBCKURIO-RQZCQDPDSA-N 0 0 415.427 3.718 40 5 HHBBRN CC(C)N1C(=O)[C@@H]2[C@H](c3cccc([N+](=O)[O-])c3)N(c3ccc(Cl)cc3)O[C@@H]2C1=O ZINC000004301686 568959987 /nfs/dbraw/zinc/95/99/87/568959987.db2.gz NOMVSDQTOAIXOV-SQNIBIBYSA-N 0 0 415.833 3.503 40 5 HHBBRN CCOc1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000008209520 568982369 /nfs/dbraw/zinc/98/23/69/568982369.db2.gz XRXNFKLRLZYNRB-UHFFFAOYSA-N 0 0 400.416 3.774 40 5 HHBBRN O=C(Nc1nc2ccc(Cl)cc2s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000016004508 569025404 /nfs/dbraw/zinc/02/54/04/569025404.db2.gz ODJXUIVIASMNST-UHFFFAOYSA-N 0 0 418.862 3.947 40 5 HHBBRN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Br ZINC000223647058 569030711 /nfs/dbraw/zinc/03/07/11/569030711.db2.gz QKWHXBFOQJLFMD-UHFFFAOYSA-N 0 0 421.656 3.820 40 5 HHBBRN O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)Nc1ccccc1 ZINC000016489673 569055753 /nfs/dbraw/zinc/05/57/53/569055753.db2.gz APFBPZHIVGRJOJ-UHFFFAOYSA-N 0 0 404.429 3.528 40 5 HHBBRN Cc1cc(I)cnc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000006572462 569066688 /nfs/dbraw/zinc/06/66/88/569066688.db2.gz NIGNABAUGWPVLT-AATRIKPKSA-N 0 0 409.183 3.555 40 5 HHBBRN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1[N+](=O)[O-] ZINC000036700310 569221005 /nfs/dbraw/zinc/22/10/05/569221005.db2.gz PNMABNIAOWCVGY-GFCCVEGCSA-N 0 0 418.247 3.657 40 5 HHBBRN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000017087522 569273140 /nfs/dbraw/zinc/27/31/40/569273140.db2.gz IPLVNUIHUXQXKY-UHFFFAOYSA-N 0 0 406.851 3.724 40 5 HHBBRN Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000017088253 569273327 /nfs/dbraw/zinc/27/33/27/569273327.db2.gz BRZKUDQJZWZYQQ-UHFFFAOYSA-N 0 0 409.471 3.652 40 5 HHBBRN COc1ccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1Cl ZINC000017093307 569273840 /nfs/dbraw/zinc/27/38/40/569273840.db2.gz QPHJHYRPTVJRTI-UHFFFAOYSA-N 0 0 422.875 3.993 40 5 HHBBRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2C)c(F)c1F ZINC000017090998 569274121 /nfs/dbraw/zinc/27/41/21/569274121.db2.gz ZPJLOIWBLDAUIL-UHFFFAOYSA-N 0 0 417.340 3.595 40 5 HHBBRN Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000017088252 569274281 /nfs/dbraw/zinc/27/42/81/569274281.db2.gz NQLOSWZTGAKQON-UHFFFAOYSA-N 0 0 409.471 3.652 40 5 HHBBRN CCOc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000017089898 569274398 /nfs/dbraw/zinc/27/43/98/569274398.db2.gz DMBWOXKPEDPGOB-UHFFFAOYSA-N 0 0 414.487 3.721 40 5 HHBBRN CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224779276 569289025 /nfs/dbraw/zinc/28/90/25/569289025.db2.gz RWLVHEBXVYFXMS-HNNXBMFYSA-N 0 0 417.893 3.734 40 5 HHBBRN CCOC(=O)c1cc(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1Cl ZINC000224789711 569289572 /nfs/dbraw/zinc/28/95/72/569289572.db2.gz PYJLRTUVJNCXDT-UHFFFAOYSA-N 0 0 412.851 3.558 40 5 HHBBRN CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000225014355 569323452 /nfs/dbraw/zinc/32/34/52/569323452.db2.gz WZVIIZYWKAEYHS-UHFFFAOYSA-N 0 0 412.851 3.640 40 5 HHBBRN S=C(Nc1ccc2nc3ccccc3nc2c1)N1CCN(c2ccccn2)CC1 ZINC000006897062 569335229 /nfs/dbraw/zinc/33/52/29/569335229.db2.gz JAFZHPHKILVDNS-UHFFFAOYSA-N 0 0 400.511 3.697 40 5 HHBBRN CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2cc(OC)ccc2[N+](=O)[O-])CC1=O ZINC000007928231 569338438 /nfs/dbraw/zinc/33/84/38/569338438.db2.gz AGXCUNNOZWNKAN-MRXNPFEDSA-N 0 0 411.458 3.720 40 5 HHBBRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000010335529 569343914 /nfs/dbraw/zinc/34/39/14/569343914.db2.gz SAZUWSVWDLDAAV-UHFFFAOYSA-N 0 0 411.439 3.956 40 5 HHBBRN Cn1c(CNC(=O)c2ccccc2Cl)nnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000034705880 569351503 /nfs/dbraw/zinc/35/15/03/569351503.db2.gz NNSFJWIVVIPSLQ-UHFFFAOYSA-N 0 0 417.878 3.599 40 5 HHBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCSCc2ccc(Cl)cc2)c1 ZINC000038754628 571079203 /nfs/dbraw/zinc/07/92/03/571079203.db2.gz FCYJZNKAJBMNMV-UHFFFAOYSA-N 0 0 400.909 3.601 40 5 HHBBRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(-c2ccccc2)n1 ZINC000328986965 571306101 /nfs/dbraw/zinc/30/61/01/571306101.db2.gz HZLVTRUJYOSTGF-SFHVURJKSA-N 0 0 411.437 4.363 40 5 HHBBRN CCCCC(=O)Nc1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1OC ZINC000032115014 519915147 /nfs/dbraw/zinc/91/51/47/519915147.db2.gz VOUZYIFIVGSJEQ-UHFFFAOYSA-N 0 0 401.419 3.993 40 5 HHBBRN Cc1cc(=O)oc(C)c1C(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000006474508 557704291 /nfs/dbraw/zinc/70/42/91/557704291.db2.gz JPQDUENFEUOIHD-NRFANRHFSA-N 0 0 407.378 3.946 40 5 HHBBRN CNc1cc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000013632924 558848807 /nfs/dbraw/zinc/84/88/07/558848807.db2.gz XGBZNSXEUGVHJI-UHFFFAOYSA-N 0 0 409.273 3.906 40 5 HHBBRN O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1F)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000004892860 559198073 /nfs/dbraw/zinc/19/80/73/559198073.db2.gz NXWCZTAGNCMYJY-CAZKKTPXSA-N 0 0 414.392 3.611 40 5 HHBBRN COc1ccc(OC)c(-c2ccc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nn2)c1 ZINC000408533420 559216870 /nfs/dbraw/zinc/21/68/70/559216870.db2.gz QWIROKITFLRSQO-UHFFFAOYSA-N 0 0 415.789 3.942 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(NC(=O)N2CCCCC2)cc1 ZINC000408562500 559218330 /nfs/dbraw/zinc/21/83/30/559218330.db2.gz QIILDSQEBDWWPL-UHFFFAOYSA-N 0 0 418.475 3.722 40 5 HHBBRN Cc1csc2[nH]c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)nc(=O)c12 ZINC000408596530 559221394 /nfs/dbraw/zinc/22/13/94/559221394.db2.gz QUZFDJDDRUKWOI-UHFFFAOYSA-N 0 0 410.864 3.998 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCCCC2)c1 ZINC000408619718 559221603 /nfs/dbraw/zinc/22/16/03/559221603.db2.gz IRBVLJRHFAQQHC-UHFFFAOYSA-N 0 0 417.487 3.639 40 5 HHBBRN Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(F)(F)F)CC2=O)cc1[N+](=O)[O-] ZINC000408641214 559222989 /nfs/dbraw/zinc/22/29/89/559222989.db2.gz LEBBOONSIHBKCY-GFCCVEGCSA-N 0 0 407.348 3.914 40 5 HHBBRN CCOC(=O)c1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1 ZINC000408732537 559225553 /nfs/dbraw/zinc/22/55/53/559225553.db2.gz WLVZEIVMZPUFPQ-SXGWCWSVSA-N 0 0 400.774 3.769 40 5 HHBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000409182384 559244435 /nfs/dbraw/zinc/24/44/35/559244435.db2.gz KVESHUVBTQYSTI-LICLKQGHSA-N 0 0 411.439 3.887 40 5 HHBBRN Cc1c(C)c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000409204940 559244762 /nfs/dbraw/zinc/24/47/62/559244762.db2.gz MIJFCCDZLALYAH-UHFFFAOYSA-N 0 0 407.220 3.770 40 5 HHBBRN CC1CCN(C(=O)CN2C(=O)S/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)CC1 ZINC000409356868 559248163 /nfs/dbraw/zinc/24/81/63/559248163.db2.gz HTRZQOVKEYIBGS-DHDCSXOGSA-N 0 0 423.878 3.543 40 5 HHBBRN COC(=O)CC[C@]1([N+](=O)[O-])CCCN(C(=O)OC(C)(C)C)[C@H]1c1ccc(F)cc1 ZINC000072390491 559275357 /nfs/dbraw/zinc/27/53/57/559275357.db2.gz FNRBYCFAKIUMOT-FXAWDEMLSA-N 0 0 410.442 3.866 40 5 HHBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1cccs1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000001359725 560578376 /nfs/dbraw/zinc/57/83/76/560578376.db2.gz MLWWEFACDQUCLD-UHFFFAOYSA-N 0 0 420.450 3.735 40 5 HHBBRN Cn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1Cl ZINC000005448627 560587624 /nfs/dbraw/zinc/58/76/24/560587624.db2.gz OIRYKHGZOWKRPX-UHFFFAOYSA-N 0 0 403.851 3.775 40 5 HHBBRN COCCNC(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000408975536 560660313 /nfs/dbraw/zinc/66/03/13/560660313.db2.gz MRSPEPRNUODQCF-UHFFFAOYSA-N 0 0 414.494 3.812 40 5 HHBBRN CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000408993242 560662573 /nfs/dbraw/zinc/66/25/73/560662573.db2.gz VWNCSIMVOLUWBD-LJQANCHMSA-N 0 0 424.457 3.989 40 5 HHBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)o1 ZINC000409010005 560665290 /nfs/dbraw/zinc/66/52/90/560665290.db2.gz CWJVOCZPUANZLZ-SFQUDFHCSA-N 0 0 405.366 3.961 40 5 HHBBRN COc1cc2c(cc1/C=C1/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C1=O)OCO2 ZINC000409070357 560673183 /nfs/dbraw/zinc/67/31/83/560673183.db2.gz YSKYSDCGPZMBFL-REZTVBANSA-N 0 0 414.395 3.569 40 5 HHBBRN Cc1ccc(CN2C(=O)N/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409232005 560700437 /nfs/dbraw/zinc/70/04/37/560700437.db2.gz MOUHUZQWLJMLIY-DEDYPNTBSA-N 0 0 402.410 3.787 40 5 HHBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)c1C ZINC000409365820 560715423 /nfs/dbraw/zinc/71/54/23/560715423.db2.gz PAQNKSXMFBCMRN-LICLKQGHSA-N 0 0 411.439 3.887 40 5 HHBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000101127648 560788132 /nfs/dbraw/zinc/78/81/32/560788132.db2.gz KLSOIPVTUNNHBD-HBMCJLEFSA-N 0 0 415.405 3.646 40 5 HHBBRN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000014829987 560855381 /nfs/dbraw/zinc/85/53/81/560855381.db2.gz UMMLIRYELMTLCX-UHFFFAOYSA-N 0 0 423.878 3.675 40 5 HHBBRN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220571099 568506956 /nfs/dbraw/zinc/50/69/56/568506956.db2.gz LETOXNVQROUGBO-IBGZPJMESA-N 0 0 419.503 3.703 40 5 HHBBRN Cc1cc(OCC(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc(C)c1Cl ZINC000020410869 568604737 /nfs/dbraw/zinc/60/47/37/568604737.db2.gz LENZHFLYSSNKHI-UHFFFAOYSA-N 0 0 419.865 3.719 40 5 HHBBRN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000020410881 568605034 /nfs/dbraw/zinc/60/50/34/568605034.db2.gz BARVREFQZDUTSN-UHFFFAOYSA-N 0 0 413.474 3.881 40 5 HHBBRN CCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1Cl ZINC000020611733 568636460 /nfs/dbraw/zinc/63/64/60/568636460.db2.gz OIPRVTQWWVKJHS-UHFFFAOYSA-N 0 0 405.838 3.736 40 5 HHBBRN CSc1ccccc1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222364277 568751270 /nfs/dbraw/zinc/75/12/70/568751270.db2.gz CISPXZQOCLKUAZ-UHFFFAOYSA-N 0 0 423.516 3.502 40 5 HHBBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(OC)c(OC)cc3[N+](=O)[O-])N21 ZINC000222649379 568766554 /nfs/dbraw/zinc/76/65/54/568766554.db2.gz UJEHBRXHYJFQQI-YXKWSERDSA-N 0 0 414.487 3.986 40 5 HHBBRN CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225536649 568772282 /nfs/dbraw/zinc/77/22/82/568772282.db2.gz PTIVWZZOONUMRT-OAHLLOKOSA-N 0 0 417.893 3.733 40 5 HHBBRN CCOC(=O)c1c(C)[nH]c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc21 ZINC000026779933 568831362 /nfs/dbraw/zinc/83/13/62/568831362.db2.gz GNYLLPQLVZMTPI-UHFFFAOYSA-N 0 0 413.342 3.689 40 5 HHBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223090497 568913908 /nfs/dbraw/zinc/91/39/08/568913908.db2.gz GJHYEBNTJXVFOK-JKSUJKDBSA-N 0 0 415.465 3.608 40 5 HHBBRN CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000217864437 568916766 /nfs/dbraw/zinc/91/67/66/568916766.db2.gz UUIKDZWMEJDSRY-UHFFFAOYSA-N 0 0 417.219 3.680 40 5 HHBBRN CN(C)C(=S)Oc1cc(OCCCOc2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1 ZINC000001669277 569031715 /nfs/dbraw/zinc/03/17/15/569031715.db2.gz CBNJQOOWEYKHFG-UHFFFAOYSA-N 0 0 421.431 3.576 40 5 HHBBRN CCOc1cccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000016693169 569070505 /nfs/dbraw/zinc/07/05/05/569070505.db2.gz BTUPYSRDHZAEGH-UHFFFAOYSA-N 0 0 423.391 3.975 40 5 HHBBRN COc1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000017089514 569274548 /nfs/dbraw/zinc/27/45/48/569274548.db2.gz QJQRCYBUQHCRTK-UHFFFAOYSA-N 0 0 413.411 3.696 40 5 HHBBRN CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000224789512 569289551 /nfs/dbraw/zinc/28/95/51/569289551.db2.gz BYOHCKWEBRTJKM-UHFFFAOYSA-N 0 0 406.460 3.604 40 5 HHBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225097251 569325339 /nfs/dbraw/zinc/32/53/39/569325339.db2.gz IOSAZNLXAWGWSQ-ROUUACIJSA-N 0 0 411.502 3.778 40 5 HHBBRN CCOc1cc(/C=C(/C)[N+](=O)[O-])ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000006155443 569329611 /nfs/dbraw/zinc/32/96/11/569329611.db2.gz VMHPELYWGUBPDD-LCYFTJDESA-N 0 0 417.414 3.968 40 5 HHBBRN CCN(CC)C(=O)[C@@H]1CCCN(C(=O)Nc2cc3cccnc3c3cccnc23)C1 ZINC000006274479 569330264 /nfs/dbraw/zinc/33/02/64/569330264.db2.gz NYXSRDCOVGOABL-QGZVFWFLSA-N 0 0 405.502 3.895 40 5 HHBBRN COc1ccccc1OC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000006470802 569332683 /nfs/dbraw/zinc/33/26/83/569332683.db2.gz BOTKIBNSLGIYLY-UHFFFAOYSA-N 0 0 413.407 3.655 40 5 HHBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)Cn1nc(COc2ccccc2)oc1=S ZINC000008336314 569340063 /nfs/dbraw/zinc/34/00/63/569340063.db2.gz QHHMUCBYUZOWAB-UHFFFAOYSA-N 0 0 400.416 3.640 40 5 HHBBRN CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225165598 569369729 /nfs/dbraw/zinc/36/97/29/569369729.db2.gz DQHJUELYAAYGLZ-FQEVSTJZSA-N 0 0 411.502 3.779 40 5 HHBBRN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000009664239 569393691 /nfs/dbraw/zinc/39/36/91/569393691.db2.gz ALPBJONVISTSLJ-UHFFFAOYSA-N 0 0 411.487 3.836 40 5 HHBBRN COc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c([N+](=O)[O-])cc1OC ZINC000260778220 569409749 /nfs/dbraw/zinc/40/97/49/569409749.db2.gz RKDFNWFYSMGGEV-CNOZUTPLSA-N 0 0 400.460 3.596 40 5 HHBBRN Cc1c(Nc2cc(-c3ccccc3)nc(N[C@@H](CO)C(C)C)n2)cccc1[N+](=O)[O-] ZINC000329006292 571305555 /nfs/dbraw/zinc/30/55/55/571305555.db2.gz LCKKVCNTUMGXTM-IBGZPJMESA-N 0 0 407.474 4.533 40 5 HHBBRN CC(C)C(=O)N1CCN(c2ccccc2NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000006306550 132310352 /nfs/dbraw/zinc/31/03/52/132310352.db2.gz LHMBPCWZMQNUCT-ZHACJKMWSA-N 0 0 422.485 3.551 40 5 HHBBRN O=c1c2cc3c(ccn(-c4cc(Cl)cc(Cl)c4)c3=O)nc2ccn1-c1cc[nH]n1 ZINC000040399085 527462087 /nfs/dbraw/zinc/46/20/87/527462087.db2.gz ZOYKBOAQCHQMSF-UHFFFAOYSA-N 0 0 424.247 3.720 40 5 HHBBRN Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C(=O)N1CCCCC1 ZINC000408619026 557535791 /nfs/dbraw/zinc/53/57/91/557535791.db2.gz HPJBZVZHQVQHID-UHFFFAOYSA-N 0 0 417.487 3.639 40 5 HHBBRN COc1cc(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)ccc1[N+](=O)[O-] ZINC000219827553 558299375 /nfs/dbraw/zinc/29/93/75/558299375.db2.gz ZIAUHDZKMJYKHQ-MRXNPFEDSA-N 0 0 400.431 3.709 40 5 HHBBRN O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000013648111 558850357 /nfs/dbraw/zinc/85/03/57/558850357.db2.gz WHBUYYNHVHOWIW-UHFFFAOYSA-N 0 0 416.430 3.791 40 5 HHBBRN O=C1[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1 ZINC000013960333 559033259 /nfs/dbraw/zinc/03/32/59/559033259.db2.gz UOTQFAQAAWCIGH-MHORFTMASA-N 0 0 414.801 3.707 40 5 HHBBRN CCc1cccc(CC)c1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220410392 559076952 /nfs/dbraw/zinc/07/69/52/559076952.db2.gz VIXLNCOKKBUPLB-AWEZNQCLSA-N 0 0 419.503 3.513 40 5 HHBBRN CN1CCN(c2cc(NC(=O)c3cccc(Cl)c3)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229297 559170006 /nfs/dbraw/zinc/17/00/06/559170006.db2.gz YFOXCPULDAGVPO-UHFFFAOYSA-N 0 0 409.273 3.906 40 5 HHBBRN Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3O)o2)cc1[N+](=O)[O-] ZINC000004891225 559198021 /nfs/dbraw/zinc/19/80/21/559198021.db2.gz QRHBVNSZFCTPNS-LLVKDONJSA-N 0 0 400.416 3.778 40 5 HHBBRN CC(C)(C)NC(=O)c1ccccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000408562542 559218420 /nfs/dbraw/zinc/21/84/20/559218420.db2.gz AGTKQTKNGNMCSN-UHFFFAOYSA-N 0 0 401.488 3.995 40 5 HHBBRN COc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc1 ZINC000408569940 559218561 /nfs/dbraw/zinc/21/85/61/559218561.db2.gz KIBILLKBAXXZIR-GOSISDBHSA-N 0 0 400.460 3.703 40 5 HHBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408574057 559219177 /nfs/dbraw/zinc/21/91/77/559219177.db2.gz HXCHBRBBYLOYCR-QPJJXVBHSA-N 0 0 411.527 3.686 40 5 HHBBRN COc1ccc(OC)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)c1 ZINC000408577036 559219296 /nfs/dbraw/zinc/21/92/96/559219296.db2.gz YKZXSRYELONCFT-SFHVURJKSA-N 0 0 418.450 3.842 40 5 HHBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1O ZINC000408603037 559220716 /nfs/dbraw/zinc/22/07/16/559220716.db2.gz AJTZACPECRLMLY-UHFFFAOYSA-N 0 0 400.172 3.526 40 5 HHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2cccc(Cl)c2Cl)CC1=O ZINC000408645276 559223174 /nfs/dbraw/zinc/22/31/74/559223174.db2.gz UOLYXNKKEFKENC-SNVBAGLBSA-N 0 0 424.240 3.902 40 5 HHBBRN CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4cc([N+](=O)[O-])ccc4F)cc3)C(=O)[C@@H]2C1 ZINC000408679930 559224138 /nfs/dbraw/zinc/22/41/38/559224138.db2.gz HJZQFVBXYPMWSB-IAGOWNOFSA-N 0 0 423.400 3.832 40 5 HHBBRN Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409126388 559241695 /nfs/dbraw/zinc/24/16/95/559241695.db2.gz FQOSTEMPSXECDI-UHFFFAOYSA-N 0 0 403.851 3.775 40 5 HHBBRN COCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C1=O ZINC000409149002 559242445 /nfs/dbraw/zinc/24/24/45/559242445.db2.gz VRIZOBSKOSZOEF-LDADJPATSA-N 0 0 414.439 3.857 40 5 HHBBRN CCCc1nnc(SCC(=O)c2cc([N+](=O)[O-])ccc2Br)n1CC ZINC000007342114 559247876 /nfs/dbraw/zinc/24/78/76/559247876.db2.gz MMVQTBQVMWTHGY-UHFFFAOYSA-N 0 0 413.297 3.896 40 5 HHBBRN O=C(CSc1n[nH]c(COc2ccc(Cl)cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000409386581 559249431 /nfs/dbraw/zinc/24/94/31/559249431.db2.gz VDDAJNZVDLLGIB-UHFFFAOYSA-N 0 0 404.835 3.920 40 5 HHBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1ccccc1O ZINC000409411836 559249669 /nfs/dbraw/zinc/24/96/69/559249669.db2.gz LVLGFOOZDBBZSW-UHFFFAOYSA-N 0 0 413.459 3.618 40 5 HHBBRN O=[N+]([O-])c1cc(Br)cc(Br)c1I ZINC000145431815 560545891 /nfs/dbraw/zinc/54/58/91/560545891.db2.gz QEZQKTPPAGXRDH-UHFFFAOYSA-N 0 0 406.799 3.724 40 5 HHBBRN Cc1ccc(NC(=O)CSc2nnc3c(n2)[C@]2(C)CC[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000004130180 560599525 /nfs/dbraw/zinc/59/95/25/560599525.db2.gz LBWUIFMZTMLOAC-XCLFUZPHSA-N 0 0 413.503 3.994 40 5 HHBBRN O=C(CSc1nnc(COc2ccccc2Cl)o1)Nc1ccccc1[N+](=O)[O-] ZINC000409011976 560665659 /nfs/dbraw/zinc/66/56/59/560665659.db2.gz GWUOZWBVCJJQKC-UHFFFAOYSA-N 0 0 420.834 3.941 40 5 HHBBRN Cc1ccc(OCc2nn(CC(=O)Nc3ccc([N+](=O)[O-])cc3)c(=S)o2)cc1 ZINC000409159294 560684869 /nfs/dbraw/zinc/68/48/69/560684869.db2.gz VVDSYANFDHXZCK-UHFFFAOYSA-N 0 0 400.416 3.640 40 5 HHBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409177497 560687368 /nfs/dbraw/zinc/68/73/68/560687368.db2.gz GBJLIJAUWQFTJH-GZTJUZNOSA-N 0 0 411.439 3.832 40 5 HHBBRN Cc1c(C(=O)OCC(=O)c2ccc(Br)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000013477347 560810987 /nfs/dbraw/zinc/81/09/87/560810987.db2.gz VEKYFTYYJICPSK-UHFFFAOYSA-N 0 0 423.175 3.614 40 5 HHBBRN O=[N+]([O-])c1ccc(NCCCNc2ccc([N+](=O)[O-])c3cccnc23)c([N+](=O)[O-])c1 ZINC000103748460 560844429 /nfs/dbraw/zinc/84/44/29/560844429.db2.gz YVGDSXGPNUBIBX-UHFFFAOYSA-N 0 0 412.362 3.874 40 5 HHBBRN Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc([O-])c([N+](=O)[O-])c3)C2=O)cc1 ZINC000106787819 560893746 /nfs/dbraw/zinc/89/37/46/560893746.db2.gz FYUBPKVNCHCJMJ-BOPFTXTBSA-N 0 0 400.412 3.724 40 5 HHBBRN O=C(NCc1ccccc1)/C(=C/c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000825790 568498670 /nfs/dbraw/zinc/49/86/70/568498670.db2.gz DEUVRYKCAAVWST-QNGOZBTKSA-N 0 0 401.422 3.682 40 5 HHBBRN COc1cc(OCC(=O)NCCCc2cccc(OC(C)C)c2)ccc1[N+](=O)[O-] ZINC000219825973 568498840 /nfs/dbraw/zinc/49/88/40/568498840.db2.gz ZRLUNZCIMCMDDL-UHFFFAOYSA-N 0 0 402.447 3.518 40 5 HHBBRN COc1c([N+](=O)[O-])cc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000020529125 568625770 /nfs/dbraw/zinc/62/57/70/568625770.db2.gz OLEYFNOUNOYLMW-UHFFFAOYSA-N 0 0 403.391 3.827 40 5 HHBBRN Cc1cc(C(=O)Nc2ccc(N3CCOCC3)c(Br)c2)ccc1[N+](=O)[O-] ZINC000020611558 568636194 /nfs/dbraw/zinc/63/61/94/568636194.db2.gz OHANNICFKYRIFF-UHFFFAOYSA-N 0 0 420.263 3.755 40 5 HHBBRN CCCc1nnc2sc(-c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4)c3)nn12 ZINC000020609662 568636391 /nfs/dbraw/zinc/63/63/91/568636391.db2.gz MOSIABXVANOBHR-UHFFFAOYSA-N 0 0 408.443 3.966 40 5 HHBBRN O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(F)c([N+](=O)[O-])c1 ZINC000059475491 568707329 /nfs/dbraw/zinc/70/73/29/568707329.db2.gz UXQMQWFNBDDQMC-UHFFFAOYSA-N 0 0 413.327 3.842 40 5 HHBBRN Cc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000021596048 568722488 /nfs/dbraw/zinc/72/24/88/568722488.db2.gz IAQADGFQWJECQB-UHFFFAOYSA-N 0 0 424.438 3.875 40 5 HHBBRN CCC(=O)Nc1nc2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2s1 ZINC000021595922 568722550 /nfs/dbraw/zinc/72/25/50/568722550.db2.gz JLZVRNWFKDDNFX-UHFFFAOYSA-N 0 0 400.416 3.571 40 5 HHBBRN CC[C@H](C(=O)Nc1cc(C)cc(C)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222531566 568762766 /nfs/dbraw/zinc/76/27/66/568762766.db2.gz PMDXEYKJNHHKSC-GOSISDBHSA-N 0 0 419.503 3.703 40 5 HHBBRN Cc1ccc(-c2ccc(/C=c3/sc4nc5ccccc5n4c3=O)o2)cc1[N+](=O)[O-] ZINC000001022780 568763348 /nfs/dbraw/zinc/76/33/48/568763348.db2.gz LDAMQWWVDZRMRT-YBFXNURJSA-N 0 0 403.419 3.934 40 5 HHBBRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222686873 568768011 /nfs/dbraw/zinc/76/80/11/568768011.db2.gz KLHPKWYBBOXAFT-GFCCVEGCSA-N 0 0 424.284 3.607 40 5 HHBBRN Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222751517 568770937 /nfs/dbraw/zinc/77/09/37/568770937.db2.gz MYEPMDPAINMQNL-QGZVFWFLSA-N 0 0 411.502 3.778 40 5 HHBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)o1 ZINC000222762366 568771161 /nfs/dbraw/zinc/77/11/61/568771161.db2.gz PSXRWANUDOEMPP-OALUTQOASA-N 0 0 410.455 3.861 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C ZINC000225708821 568779380 /nfs/dbraw/zinc/77/93/80/568779380.db2.gz PGAPPMFMWJFJDR-UHFFFAOYSA-N 0 0 407.473 3.661 40 5 HHBBRN Cc1nc2ccccn2c1-c1nnc2sc(COc3ccc(C)cc3[N+](=O)[O-])nn21 ZINC000227143465 568828004 /nfs/dbraw/zinc/82/80/04/568828004.db2.gz OOZBBHUZXKIHCU-UHFFFAOYSA-N 0 0 421.442 3.605 40 5 HHBBRN COc1cc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc(OC)c1OC ZINC000015262543 568864122 /nfs/dbraw/zinc/86/41/22/568864122.db2.gz DQNDJQLUFJCAGV-MLPAPPSSSA-N 0 0 418.789 3.619 40 5 HHBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 ZINC000223067495 568913031 /nfs/dbraw/zinc/91/30/31/568913031.db2.gz MRQPNIWNEBZCFE-UHFFFAOYSA-N 0 0 423.450 3.599 40 5 HHBBRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1 ZINC000001380554 568921482 /nfs/dbraw/zinc/92/14/82/568921482.db2.gz SGBUBYAQQUDGDV-UHFFFAOYSA-N 0 0 419.363 3.836 40 5 HHBBRN CCn1c(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nnc1-c1ccccc1 ZINC000003501530 569024620 /nfs/dbraw/zinc/02/46/20/569024620.db2.gz SUOBJYMPJOUXRH-UHFFFAOYSA-N 0 0 401.423 3.743 40 5 HHBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)o1 ZINC000016194243 569029750 /nfs/dbraw/zinc/02/97/50/569029750.db2.gz NVBFATQIGITFJJ-VGOFMYFVSA-N 0 0 422.802 3.864 40 5 HHBBRN Cc1cccc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000016349790 569031877 /nfs/dbraw/zinc/03/18/77/569031877.db2.gz ZUNSRUYCJXKPJV-UHFFFAOYSA-N 0 0 423.391 3.650 40 5 HHBBRN C[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224079771 569051903 /nfs/dbraw/zinc/05/19/03/569051903.db2.gz GGFQYGUDCTZPJW-SFHVURJKSA-N 0 0 423.513 3.656 40 5 HHBBRN Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224178198 569053466 /nfs/dbraw/zinc/05/34/66/569053466.db2.gz ZHKWIGOWBAUGLJ-SFHVURJKSA-N 0 0 411.502 3.635 40 5 HHBBRN Cc1nn(C(=O)c2ccccc2O)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)SC(=N)N2 ZINC000006483950 569059466 /nfs/dbraw/zinc/05/94/66/569059466.db2.gz RVAHGYUSMDBODJ-INIZCTEOSA-N 0 0 409.427 3.677 40 5 HHBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224519293 569070051 /nfs/dbraw/zinc/07/00/51/569070051.db2.gz ZOGXIWKJNBGVMR-FQEVSTJZSA-N 0 0 411.502 3.717 40 5 HHBBRN CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(C)c1 ZINC000006629939 569074904 /nfs/dbraw/zinc/07/49/04/569074904.db2.gz KATXTGJUAKSGBI-UHFFFAOYSA-N 0 0 416.503 3.885 40 5 HHBBRN O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000017087549 569273030 /nfs/dbraw/zinc/27/30/30/569273030.db2.gz LNODBZHBPHHBPJ-UHFFFAOYSA-N 0 0 406.876 3.914 40 5 HHBBRN COc1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000017089513 569273634 /nfs/dbraw/zinc/27/36/34/569273634.db2.gz VQTCISUWGBHYSY-UHFFFAOYSA-N 0 0 413.411 3.696 40 5 HHBBRN Cc1cc(Br)ccc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000017092079 569273667 /nfs/dbraw/zinc/27/36/67/569273667.db2.gz VKHBIABCDVURBE-UHFFFAOYSA-N 0 0 420.263 3.755 40 5 HHBBRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br ZINC000017093772 569274060 /nfs/dbraw/zinc/27/40/60/569274060.db2.gz KNZCSCQKPOIIJE-UHFFFAOYSA-N 0 0 424.276 3.801 40 5 HHBBRN O=C(C=Cc1ccc(Cl)cc1Cl)NC(=S)NNc1ccc([N+](=O)[O-])cc1 ZINC000017088759 569274477 /nfs/dbraw/zinc/27/44/77/569274477.db2.gz FMVAOOYJOKKAML-KRXBUXKQSA-N 0 0 411.270 3.933 40 5 HHBBRN COc1cccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000017089899 569274538 /nfs/dbraw/zinc/27/45/38/569274538.db2.gz DMTJNMNUIXGEPX-UHFFFAOYSA-N 0 0 414.487 3.721 40 5 HHBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(I)cc1F ZINC000017089083 569274606 /nfs/dbraw/zinc/27/46/06/569274606.db2.gz WZMWGOIPUAOVDS-QPJJXVBHSA-N 0 0 412.158 3.990 40 5 HHBBRN CSc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(=O)C(C)C ZINC000224705108 569284109 /nfs/dbraw/zinc/28/41/09/569284109.db2.gz LCXZKZKTZOBXGD-UHFFFAOYSA-N 0 0 409.489 3.712 40 5 HHBBRN CCOC(=O)c1cc(N(CC)S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Cl ZINC000224761307 569288525 /nfs/dbraw/zinc/28/85/25/569288525.db2.gz SIKMJUKHBCOIRD-UHFFFAOYSA-N 0 0 412.851 3.640 40 5 HHBBRN CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225135108 569328105 /nfs/dbraw/zinc/32/81/05/569328105.db2.gz HMDKMWRUSPYIOX-FQEVSTJZSA-N 0 0 411.502 3.779 40 5 HHBBRN O=C(CNC(=O)C(c1ccccc1)c1ccccc1)OCc1ccccc1[N+](=O)[O-] ZINC000006474735 569332700 /nfs/dbraw/zinc/33/27/00/569332700.db2.gz MCMLKRMFGYOLFL-UHFFFAOYSA-N 0 0 404.422 3.586 40 5 HHBBRN Cc1ccc(C)c(NC(=O)CCCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000008417586 569340785 /nfs/dbraw/zinc/34/07/85/569340785.db2.gz XEKMIFJVGOZIRX-UHFFFAOYSA-N 0 0 413.430 3.502 40 5 HHBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000008475130 569341203 /nfs/dbraw/zinc/34/12/03/569341203.db2.gz BHFXJKHOAYDLPB-UIAACRFSSA-N 0 0 421.453 3.573 40 5 HHBBRN Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000008571644 569341817 /nfs/dbraw/zinc/34/18/17/569341817.db2.gz LNVVMVAEOMTAGD-UHFFFAOYSA-N 0 0 400.416 3.596 40 5 HHBBRN O=C(CSc1nnc(Cc2ccccc2)o1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000012249270 569344735 /nfs/dbraw/zinc/34/47/35/569344735.db2.gz UTZYUDDSKBYVJX-UHFFFAOYSA-N 0 0 404.835 3.953 40 5 HHBBRN O=C(CSc1nnc(COc2ccccc2)o1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000012249389 569344714 /nfs/dbraw/zinc/34/47/14/569344714.db2.gz QNTPXOLYYNYLHP-UHFFFAOYSA-N 0 0 420.834 3.941 40 5 HHBBRN CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4)c3)nn12 ZINC000033695000 569351037 /nfs/dbraw/zinc/35/10/37/569351037.db2.gz YYLORXFRFVXLAY-UHFFFAOYSA-N 0 0 408.443 3.884 40 5 HHBBRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225170182 569369450 /nfs/dbraw/zinc/36/94/50/569369450.db2.gz BSIBLAMPGCCACY-INIZCTEOSA-N 0 0 415.465 3.610 40 5 HHBBRN CCOc1ccc(C(=O)Nc2nc3ccc(C(=O)OC)cc3s2)cc1[N+](=O)[O-] ZINC000008904228 569390821 /nfs/dbraw/zinc/39/08/21/569390821.db2.gz FYETZBBKTHUOBC-UHFFFAOYSA-N 0 0 401.400 3.642 40 5 HHBBRN COc1ccccc1Cn1ccc2nc3ccn(Cc4ccccc4)c(=O)c3cc2c1=O ZINC000040398768 524520866 /nfs/dbraw/zinc/52/08/66/524520866.db2.gz QKLNONMQJNNXSN-UHFFFAOYSA-N 0 0 423.472 3.817 40 5 HHBBRN CCCOc1cccc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 ZINC000006629703 535287096 /nfs/dbraw/zinc/28/70/96/535287096.db2.gz OWSNWFJELQVANW-UHFFFAOYSA-N 0 0 403.866 3.999 40 5 HHBBRN O=C1c2cccc3c2c(cc([N+](=O)[O-])c3N2CCCC2)C(=O)N1c1cccc(O)c1 ZINC000408528349 557296498 /nfs/dbraw/zinc/29/64/98/557296498.db2.gz FUYIAXYZRRCZHW-UHFFFAOYSA-N 0 0 403.394 3.854 40 5 HHBBRN COc1cc(OCC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)ccc1[N+](=O)[O-] ZINC000219827614 558299357 /nfs/dbraw/zinc/29/93/57/558299357.db2.gz ZIAUHDZKMJYKHQ-INIZCTEOSA-N 0 0 400.431 3.709 40 5 HHBBRN O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000013991525 559130007 /nfs/dbraw/zinc/13/00/07/559130007.db2.gz XMFBLQUXBLBQKB-UHFFFAOYSA-N 0 0 420.381 3.685 40 5 HHBBRN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220543772 559173447 /nfs/dbraw/zinc/17/34/47/559173447.db2.gz PSJHHKPRCMKZEW-QGZVFWFLSA-N 0 0 419.503 3.703 40 5 HHBBRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000006056931 559190234 /nfs/dbraw/zinc/19/02/34/559190234.db2.gz CKXOODQPSCIULZ-JTQLQIEISA-N 0 0 413.213 3.851 40 5 HHBBRN COc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc1 ZINC000408569941 559218177 /nfs/dbraw/zinc/21/81/77/559218177.db2.gz KIBILLKBAXXZIR-SFHVURJKSA-N 0 0 400.460 3.703 40 5 HHBBRN Cc1nnc2sc(-c3ccccc3NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)nn12 ZINC000408576919 559219489 /nfs/dbraw/zinc/21/94/89/559219489.db2.gz YVDOFXZHFUXTKP-MDZDMXLPSA-N 0 0 406.427 3.721 40 5 HHBBRN COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)n1C ZINC000004977117 559220176 /nfs/dbraw/zinc/22/01/76/559220176.db2.gz JOZXQFQAQOTXOP-LBPRGKRZSA-N 0 0 413.459 3.518 40 5 HHBBRN COc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000408614322 559221559 /nfs/dbraw/zinc/22/15/59/559221559.db2.gz AWXDIVPXVSPGAG-UHFFFAOYSA-N 0 0 405.410 3.786 40 5 HHBBRN COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 ZINC000408639679 559222862 /nfs/dbraw/zinc/22/28/62/559222862.db2.gz GUBSGVNYNSHUOC-JTQLQIEISA-N 0 0 424.240 3.902 40 5 HHBBRN CN1CCN(c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000408629324 559223005 /nfs/dbraw/zinc/22/30/05/559223005.db2.gz XAYLFBGAHOTARV-VMPITWQZSA-N 0 0 400.866 3.652 40 5 HHBBRN CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3cc([N+](=O)[O-])ccc3F)C(=O)[C@H]2C1 ZINC000408677662 559223917 /nfs/dbraw/zinc/22/39/17/559223917.db2.gz DWRYHWBAQMNRIT-ZBFHGGJFSA-N 0 0 423.400 3.832 40 5 HHBBRN CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4cc([N+](=O)[O-])ccc4F)c3)C(=O)[C@@H]2C1 ZINC000408681383 559224608 /nfs/dbraw/zinc/22/46/08/559224608.db2.gz JDOSQFMECMKSPJ-IAGOWNOFSA-N 0 0 423.400 3.832 40 5 HHBBRN CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4cccc([N+](=O)[O-])c4)c3)C(=O)[C@@H]2C1 ZINC000408689416 559224625 /nfs/dbraw/zinc/22/46/25/559224625.db2.gz YYHXWNMYBYUAHQ-RTBURBONSA-N 0 0 405.410 3.693 40 5 HHBBRN CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4cccc([N+](=O)[O-])c4)c3)C(=O)[C@H]2C1 ZINC000408689414 559224687 /nfs/dbraw/zinc/22/46/87/559224687.db2.gz YYHXWNMYBYUAHQ-OALUTQOASA-N 0 0 405.410 3.693 40 5 HHBBRN CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000408714974 559224997 /nfs/dbraw/zinc/22/49/97/559224997.db2.gz ZVMRTRYJAAZHIT-UHFFFAOYSA-N 0 0 424.457 3.980 40 5 HHBBRN CCc1ccc(C2=NN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000409107677 559240804 /nfs/dbraw/zinc/24/08/04/559240804.db2.gz SLQOKQPGGFLHSL-SFHVURJKSA-N 0 0 407.348 3.658 40 5 HHBBRN Cc1cccc(OCc2nn(CC(=O)Nc3ccc([N+](=O)[O-])cc3)c(=S)o2)c1 ZINC000409172585 559243593 /nfs/dbraw/zinc/24/35/93/559243593.db2.gz DDRVQULHQMUAPI-UHFFFAOYSA-N 0 0 400.416 3.640 40 5 HHBBRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000001327420 560573497 /nfs/dbraw/zinc/57/34/97/560573497.db2.gz GKGCYMQEYXOZKO-UHFFFAOYSA-N 0 0 403.485 3.773 40 5 HHBBRN Cc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 ZINC000005549160 560607235 /nfs/dbraw/zinc/60/72/35/560607235.db2.gz ZCOPGHPDWGMNPY-NFJKTXFASA-N 0 0 410.429 3.780 40 5 HHBBRN Cc1cc(Br)cc(C)c1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409199100 560692182 /nfs/dbraw/zinc/69/21/82/560692182.db2.gz HADMIDKKWFIRNJ-UHFFFAOYSA-N 0 0 407.220 3.770 40 5 HHBBRN O=C(CN1C(=O)SC(=Cc2ccc(O)c(Cl)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409364952 560715317 /nfs/dbraw/zinc/71/53/17/560715317.db2.gz WVVMLONSRBNFKT-LZYBPNLTSA-N 0 0 418.814 3.873 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCSCc1c(F)cccc1Cl ZINC000014399807 560842262 /nfs/dbraw/zinc/84/22/62/560842262.db2.gz OZLCPOIVINSDFM-UHFFFAOYSA-N 0 0 418.899 3.907 40 5 HHBBRN CC[C@@H](C)NC(=O)[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000110570531 560880118 /nfs/dbraw/zinc/88/01/18/560880118.db2.gz VEKGSQZLJLIFBP-JXXFODFXSA-N 0 0 409.486 3.961 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000045354853 568419222 /nfs/dbraw/zinc/41/92/22/568419222.db2.gz NQSFOSUYVZUFEG-LBPRGKRZSA-N 0 0 407.348 3.914 40 5 HHBBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000095346077 568599867 /nfs/dbraw/zinc/59/98/67/568599867.db2.gz OBTZGXKXSUAATG-HBMCJLEFSA-N 0 0 415.405 3.646 40 5 HHBBRN CN(c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1)S(=O)(=O)c1ccccc1 ZINC000222532203 568762816 /nfs/dbraw/zinc/76/28/16/568762816.db2.gz IHQMZIVIFJVGHK-UHFFFAOYSA-N 0 0 411.439 3.672 40 5 HHBBRN Cc1cccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1C ZINC000222632897 568766275 /nfs/dbraw/zinc/76/62/75/568766275.db2.gz COMHQXSQJPQNIZ-UHFFFAOYSA-N 0 0 419.503 3.705 40 5 HHBBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc([N+](=O)[O-])c(OC)cc3OC)N21 ZINC000222649763 568766712 /nfs/dbraw/zinc/76/67/12/568766712.db2.gz QVZQQMKIKMUKGH-GESALYCCSA-N 0 0 414.487 3.986 40 5 HHBBRN Cc1nn(Cc2ccccc2C(=O)N[C@H](C)c2ccc3c(c2)OCO3)c(C)c1[N+](=O)[O-] ZINC000002794433 568809411 /nfs/dbraw/zinc/80/94/11/568809411.db2.gz FJIGWXKYJVQWTP-CYBMUJFWSA-N 0 0 422.441 3.676 40 5 HHBBRN CC(C)=C1[C@@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@H]21 ZINC000015223193 568819115 /nfs/dbraw/zinc/81/91/15/568819115.db2.gz DWNWFLJGOOEXSQ-OXUXUCFPSA-N 0 0 403.232 3.615 40 5 HHBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCSCc2cccc(Cl)c2)c1 ZINC000216491565 568825263 /nfs/dbraw/zinc/82/52/63/568825263.db2.gz KHGAYLVPNHSLRV-UHFFFAOYSA-N 0 0 400.909 3.601 40 5 HHBBRN Cc1cc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000057317095 568826655 /nfs/dbraw/zinc/82/66/55/568826655.db2.gz HQNZRLAZFQGKJT-UHFFFAOYSA-N 0 0 424.501 3.850 40 5 HHBBRN Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000003014064 568838344 /nfs/dbraw/zinc/83/83/44/568838344.db2.gz WDKVYAQXYKUSQQ-UHFFFAOYSA-N 0 0 412.423 3.923 40 5 HHBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000059132853 568943966 /nfs/dbraw/zinc/94/39/66/568943966.db2.gz BEAXQUHCBUFUFM-UHFFFAOYSA-N 0 0 411.439 3.956 40 5 HHBBRN O=c1[nH]n(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)c2ccc(-c3ccccc3)cc12 ZINC000016493247 569055995 /nfs/dbraw/zinc/05/59/95/569055995.db2.gz NGGLLQKZAXUWOU-UHFFFAOYSA-N 0 0 404.338 3.575 40 5 HHBBRN O=C(NC(=S)Nc1ccccc1N1CCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000006615724 569074229 /nfs/dbraw/zinc/07/42/29/569074229.db2.gz RZEPAFBXDPOZAO-UHFFFAOYSA-N 0 0 404.879 3.975 40 5 HHBBRN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])o2)cc1 ZINC000006840112 569147074 /nfs/dbraw/zinc/14/70/74/569147074.db2.gz KIEIIEYAVPNVIE-UHFFFAOYSA-N 0 0 400.416 3.693 40 5 HHBBRN Cc1cc(C)cc(Oc2cc([N+](=O)[O-])cc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](O5)[C@H]4C3=O)c2)c1 ZINC000006922065 569182442 /nfs/dbraw/zinc/18/24/42/569182442.db2.gz TVGGSYRIBDYTRP-FGYAAKKASA-N 0 0 408.410 3.671 40 5 HHBBRN Cc1ccc(C)c(Oc2cc([N+](=O)[O-])cc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](O5)[C@H]4C3=O)c2)c1 ZINC000006922594 569182514 /nfs/dbraw/zinc/18/25/14/569182514.db2.gz CZYFRFJXXXEKSW-TZRIAGMCSA-N 0 0 408.410 3.671 40 5 HHBBRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000007387892 569235838 /nfs/dbraw/zinc/23/58/38/569235838.db2.gz QDZBOWGWKCOTIU-UHFFFAOYSA-N 0 0 410.474 3.542 40 5 HHBBRN CNC(=O)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccc(C)cc1 ZINC000016711567 569261337 /nfs/dbraw/zinc/26/13/37/569261337.db2.gz ILOGGTAYVKGEFJ-UYRXBGFRSA-N 0 0 405.410 3.680 40 5 HHBBRN Cc1nn2c(nc1=O)SC[C@@H](Sc1ccc([N+](=O)[O-])cc1)[C@H]2c1ccccc1 ZINC000016779250 569262858 /nfs/dbraw/zinc/26/28/58/569262858.db2.gz JWZNVQXINFVYIM-IAGOWNOFSA-N 0 0 412.496 3.711 40 5 HHBBRN Cc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1Br ZINC000017092080 569274315 /nfs/dbraw/zinc/27/43/15/569274315.db2.gz HWLWJOFFTXAAAF-UHFFFAOYSA-N 0 0 420.263 3.755 40 5 HHBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225016989 569323473 /nfs/dbraw/zinc/32/34/73/569323473.db2.gz WPAQSTCOAVBEQS-QZTJIDSGSA-N 0 0 411.502 3.778 40 5 HHBBRN CCN(c1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225089706 569325065 /nfs/dbraw/zinc/32/50/65/569325065.db2.gz BMGRJBYGYHFXIR-UHFFFAOYSA-N 0 0 412.851 3.558 40 5 HHBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1ccccc1 ZINC000004463562 569328306 /nfs/dbraw/zinc/32/83/06/569328306.db2.gz IBFWDSNVVWUGGQ-UHFFFAOYSA-N 0 0 413.459 3.613 40 5 HHBBRN Cc1cc(C)cc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000008417287 569340682 /nfs/dbraw/zinc/34/06/82/569340682.db2.gz FMWFKPYEGZICDD-UHFFFAOYSA-N 0 0 413.430 3.502 40 5 HHBBRN Cc1cc(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)c(C)cc1Br ZINC000008433619 569340874 /nfs/dbraw/zinc/34/08/74/569340874.db2.gz AKKKVKMCCDRXIC-UHFFFAOYSA-N 0 0 407.220 3.770 40 5 HHBBRN Cc1ccccc1OCc1nn(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(=S)o1 ZINC000008571606 569341858 /nfs/dbraw/zinc/34/18/58/569341858.db2.gz DNRARSSMGNSPAY-UHFFFAOYSA-N 0 0 414.443 3.948 40 5 HHBBRN O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)ccc21 ZINC000028206637 569350065 /nfs/dbraw/zinc/35/00/65/569350065.db2.gz VJLONMQCTNDOFJ-UHFFFAOYSA-N 0 0 423.450 3.599 40 5 HHBBRN Cc1ccccc1OCc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000009198599 569391834 /nfs/dbraw/zinc/39/18/34/569391834.db2.gz LIIRWOBSOSFZQV-UHFFFAOYSA-N 0 0 400.416 3.596 40 5 HHBBRN Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1NS(=O)(=O)c1ccccc1 ZINC000010314799 569395538 /nfs/dbraw/zinc/39/55/38/569395538.db2.gz DKBJUZIVHUHVCE-UHFFFAOYSA-N 0 0 411.439 3.956 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000010314578 569395546 /nfs/dbraw/zinc/39/55/46/569395546.db2.gz CUIZNDNSFZUJKE-UHFFFAOYSA-N 0 0 411.439 3.956 40 5 HHBBRN O=[N+]([O-])c1cc(Nc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)ccc1F ZINC000328982380 569423050 /nfs/dbraw/zinc/42/30/50/569423050.db2.gz GZNOLYBZKBXCCP-UHFFFAOYSA-N 0 0 408.437 3.918 40 5 HHBBRN CCCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCC)c3)CC2)cc1 ZINC000013632954 520336326 /nfs/dbraw/zinc/33/63/26/520336326.db2.gz CLBWEBDMJGAVOI-UHFFFAOYSA-N 0 0 412.490 3.778 40 5 HHBBRN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccnc3c4ccccc4ccc23)cc1 ZINC000040384363 521980280 /nfs/dbraw/zinc/98/02/80/521980280.db2.gz HYFYDAHCBGTHGP-UHFFFAOYSA-N 0 0 405.479 3.891 40 5 HHBBRN COc1cc(OCC(=O)NCCSCc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000219821095 558827611 /nfs/dbraw/zinc/82/76/11/558827611.db2.gz HXRJNULDDFKXNO-UHFFFAOYSA-N 0 0 410.879 3.685 40 5 HHBBRN COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O ZINC000205767417 559053396 /nfs/dbraw/zinc/05/33/96/559053396.db2.gz ZPZUUYOCOKZDAT-VGOFMYFVSA-N 0 0 422.802 3.718 40 5 HHBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(I)c1O ZINC000408542459 559217105 /nfs/dbraw/zinc/21/71/05/559217105.db2.gz JPTCKVZFKSUJBZ-PLNGDYQASA-N 0 0 416.171 3.771 40 5 HHBBRN CCn1c2c(s/c1=N\C(=O)c1ccc(OC)c([N+](=O)[O-])c1)CCc1ccccc1-2 ZINC000408562482 559218657 /nfs/dbraw/zinc/21/86/57/559218657.db2.gz QAJSSLVCYSDLRB-DQRAZIAOSA-N 0 0 409.467 3.993 40 5 HHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O ZINC000408642931 559223098 /nfs/dbraw/zinc/22/30/98/559223098.db2.gz PTERHMHLSNRUCT-SNVBAGLBSA-N 0 0 424.240 3.902 40 5 HHBBRN Cc1cc(NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])c(C)cc1Br ZINC000408647097 559223207 /nfs/dbraw/zinc/22/32/07/559223207.db2.gz RVXUAMFZCDBZOA-UHFFFAOYSA-N 0 0 407.220 3.770 40 5 HHBBRN COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000408644723 559223214 /nfs/dbraw/zinc/22/32/14/559223214.db2.gz SVACQVMCXFYHJL-GFCCVEGCSA-N 0 0 403.822 3.557 40 5 HHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)CC1=O ZINC000408648360 559223317 /nfs/dbraw/zinc/22/33/17/559223317.db2.gz XXVPJVPSMVYKPK-JTQLQIEISA-N 0 0 424.240 3.902 40 5 HHBBRN C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000408676720 559223926 /nfs/dbraw/zinc/22/39/26/559223926.db2.gz BHFXJKHOAYDLPB-CDHQVMDDSA-N 0 0 421.453 3.573 40 5 HHBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000408676721 559224029 /nfs/dbraw/zinc/22/40/29/559224029.db2.gz BHFXJKHOAYDLPB-XPGWFJOJSA-N 0 0 421.453 3.573 40 5 HHBBRN Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000408701833 559225051 /nfs/dbraw/zinc/22/50/51/559225051.db2.gz GTWUSBZVCJKZKI-UHFFFAOYSA-N 0 0 417.487 3.720 40 5 HHBBRN COc1cc(/C=C2\SC(=O)N(C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000408808331 559227762 /nfs/dbraw/zinc/22/77/62/559227762.db2.gz FTBPEMZGIWCNDL-MFOYZWKCSA-N 0 0 400.412 3.849 40 5 HHBBRN CCCN1C(=O)N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O ZINC000409244750 559246797 /nfs/dbraw/zinc/24/67/97/559246797.db2.gz IEQXRKKOTKHXPL-XNTDXEJSSA-N 0 0 412.358 3.598 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc2c(n1)[C@]1(C)CC[C@H]2C1(C)C ZINC000004130178 560599419 /nfs/dbraw/zinc/59/94/19/560599419.db2.gz HTNBCMOEQNYZLQ-XCLFUZPHSA-N 0 0 413.503 3.994 40 5 HHBBRN COc1ccc(NC(=O)c2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2C)cc1 ZINC000004847578 560609414 /nfs/dbraw/zinc/60/94/14/560609414.db2.gz AZOAIICBHAIJDT-UHFFFAOYSA-N 0 0 412.427 3.873 40 5 HHBBRN O=C(CSc1nnc(-c2ccccc2O)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004893529 560615483 /nfs/dbraw/zinc/61/54/83/560615483.db2.gz MLKUEKLMXYQCAP-UHFFFAOYSA-N 0 0 406.807 3.735 40 5 HHBBRN Cc1cc2c3nnc(SCC(=O)Nc4cccc([N+](=O)[O-])c4)nc3[nH]c2c(C)c1 ZINC000004954424 560617301 /nfs/dbraw/zinc/61/73/01/560617301.db2.gz JPBDSWMABNOUOW-UHFFFAOYSA-N 0 0 408.443 3.762 40 5 HHBBRN COc1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)o2)cc1 ZINC000004976919 560622858 /nfs/dbraw/zinc/62/28/58/560622858.db2.gz HWACNWGNBAMULL-UHFFFAOYSA-N 0 0 400.416 3.693 40 5 HHBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000005626367 560632652 /nfs/dbraw/zinc/63/26/52/560632652.db2.gz RWJFLVIDOJLMFN-UHFFFAOYSA-N 0 0 414.421 3.674 40 5 HHBBRN Cc1n[nH]c(C)c1NC(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000014404489 560845271 /nfs/dbraw/zinc/84/52/71/560845271.db2.gz PIUWOAYXHQEXEC-IZZDOVSWSA-N 0 0 405.414 3.839 40 5 HHBBRN COc1c([N+](=O)[O-])cc(NC(=O)COc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000021124401 568461783 /nfs/dbraw/zinc/46/17/83/568461783.db2.gz XVXOHLMEAOBGHS-UHFFFAOYSA-N 0 0 416.173 3.836 40 5 HHBBRN COc1ccc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)c(OC)c1 ZINC000021595552 568467727 /nfs/dbraw/zinc/46/77/27/568467727.db2.gz TYKMMBVQIMPKKM-UHFFFAOYSA-N 0 0 409.851 3.701 40 5 HHBBRN O=C(CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc(Cl)cc1 ZINC000210809185 568514458 /nfs/dbraw/zinc/51/44/58/568514458.db2.gz FGUHYZGAJUFXTN-OQLLNIDSSA-N 0 0 417.830 3.923 40 5 HHBBRN COc1ccc(-c2nc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000000853584 568711733 /nfs/dbraw/zinc/71/17/33/568711733.db2.gz CABZRIXVSLKXSJ-UHFFFAOYSA-N 0 0 419.850 3.773 40 5 HHBBRN CCc1cccc(C)c1NC(=O)[C@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222522898 568761692 /nfs/dbraw/zinc/76/16/92/568761692.db2.gz DUWJOAFXHBROSS-SFHVURJKSA-N 0 0 419.503 3.649 40 5 HHBBRN Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H](C)C(=O)NC(C)(C)C ZINC000222678784 568767663 /nfs/dbraw/zinc/76/76/63/568767663.db2.gz QAXCRMSQMQLAJE-QGZVFWFLSA-N 0 0 411.502 3.778 40 5 HHBBRN Cc1ccc(S(=O)(=O)N(C)c2ccc(Br)cc2F)cc1[N+](=O)[O-] ZINC000057014553 568823368 /nfs/dbraw/zinc/82/33/68/568823368.db2.gz JHRAWYARCMEOOZ-UHFFFAOYSA-N 0 0 403.229 3.630 40 5 HHBBRN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)cc1[N+](=O)[O-] ZINC000057317127 568826591 /nfs/dbraw/zinc/82/65/91/568826591.db2.gz FGGRJWOGBYGKIE-UHFFFAOYSA-N 0 0 424.501 3.850 40 5 HHBBRN CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)c3)nn12 ZINC000057316932 568826631 /nfs/dbraw/zinc/82/66/31/568826631.db2.gz IVAVKIGRCIVMOX-UHFFFAOYSA-N 0 0 424.442 3.584 40 5 HHBBRN O=[N+]([O-])c1ccc(S(=O)(=O)n2c(CCCc3ccccn3)nc3ccccc32)cc1 ZINC000003850493 568927519 /nfs/dbraw/zinc/92/75/19/568927519.db2.gz ZTODVNMCYCBFET-UHFFFAOYSA-N 0 0 422.466 3.752 40 5 HHBBRN O=C1CC(=O)OC(c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)O1 ZINC000059488736 568956376 /nfs/dbraw/zinc/95/63/76/568956376.db2.gz TTZLTJMBIUEWNL-UHFFFAOYSA-N 0 0 402.409 3.844 40 5 HHBBRN Cc1cc(Br)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000015649438 568958079 /nfs/dbraw/zinc/95/80/79/568958079.db2.gz VGZBHEZWVATRBV-UHFFFAOYSA-N 0 0 420.263 3.755 40 5 HHBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2ccccc2)o1 ZINC000006281210 569037261 /nfs/dbraw/zinc/03/72/61/569037261.db2.gz QPLVFHYFPXZYEE-UHFFFAOYSA-N 0 0 400.416 3.596 40 5 HHBBRN O=C(NN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c32)C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000006528404 569063106 /nfs/dbraw/zinc/06/31/06/569063106.db2.gz FHICYXMXLJGIRG-UHFFFAOYSA-N 0 0 419.437 3.592 40 5 HHBBRN O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)N1C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000138587398 569146322 /nfs/dbraw/zinc/14/63/22/569146322.db2.gz VKIRJIZHXLRABL-ZXTYOHMPSA-N 0 0 417.377 3.952 40 5 HHBBRN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000017089515 569274126 /nfs/dbraw/zinc/27/41/26/569274126.db2.gz MPJFLSONJOQIKO-UHFFFAOYSA-N 0 0 413.415 3.965 40 5 HHBBRN COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1N1C(=O)c2ccccc2C1=O ZINC000017091012 569274388 /nfs/dbraw/zinc/27/43/88/569274388.db2.gz XEXCMPIFONHOHN-UHFFFAOYSA-N 0 0 417.377 3.656 40 5 HHBBRN COc1ccc(-c2noc(CN(C)C(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)cc1 ZINC000007721332 569302645 /nfs/dbraw/zinc/30/26/45/569302645.db2.gz RXKSGNQZOZWVAP-UHFFFAOYSA-N 0 0 402.794 3.579 40 5 HHBBRN CN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225010225 569322163 /nfs/dbraw/zinc/32/21/63/569322163.db2.gz FQUUAWAUHKCUJQ-UHFFFAOYSA-N 0 0 405.657 3.836 40 5 HHBBRN CCn1c(=O)sc2cc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000225076270 569324041 /nfs/dbraw/zinc/32/40/41/569324041.db2.gz XBVJOXOJZGBBND-UHFFFAOYSA-N 0 0 403.485 3.863 40 5 HHBBRN COc1ccc(Cc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1 ZINC000005788528 569328989 /nfs/dbraw/zinc/32/89/89/569328989.db2.gz IQPDIQPMBQYIOZ-UHFFFAOYSA-N 0 0 414.443 3.616 40 5 HHBBRN CCN(CC)C(=O)[C@H]1CCCN(C(=O)Nc2cc3ccncc3c3ncccc23)C1 ZINC000006274487 569330263 /nfs/dbraw/zinc/33/02/63/569330263.db2.gz ADCGBFOEFASIJK-KRWDZBQOSA-N 0 0 405.502 3.895 40 5 HHBBRN Cc1c(C)c(NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])ccc1Br ZINC000007939756 569338629 /nfs/dbraw/zinc/33/86/29/569338629.db2.gz QTUACGNQVWHAGR-UHFFFAOYSA-N 0 0 407.220 3.770 40 5 HHBBRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)o2)cc1 ZINC000009879428 569342522 /nfs/dbraw/zinc/34/25/22/569342522.db2.gz ZTSDYPWKKRDOTA-UHFFFAOYSA-N 0 0 414.443 3.904 40 5 HHBBRN Cc1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1 ZINC000009879419 569342544 /nfs/dbraw/zinc/34/25/44/569342544.db2.gz BRQHLKOVZUNRAQ-UHFFFAOYSA-N 0 0 414.443 3.904 40 5 HHBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225213544 569375040 /nfs/dbraw/zinc/37/50/40/569375040.db2.gz MROWJVYVJRYFDT-CVEARBPZSA-N 0 0 415.465 3.608 40 5 HHBBRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008902563 569390797 /nfs/dbraw/zinc/39/07/97/569390797.db2.gz HKDBRZSHBXVDBE-UHFFFAOYSA-N 0 0 419.865 3.881 40 5 HHBBRN Cc1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(-n2nc3ccccc3n2)c1 ZINC000008927060 569390922 /nfs/dbraw/zinc/39/09/22/569390922.db2.gz NTSUHXRTLMODGE-UHFFFAOYSA-N 0 0 419.353 3.765 40 5 HHBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000009231902 569391990 /nfs/dbraw/zinc/39/19/90/569391990.db2.gz UQXDRJRVHNGCHG-LBPRGKRZSA-N 0 0 418.247 3.657 40 5 HHBBRN CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225424181 569395665 /nfs/dbraw/zinc/39/56/65/569395665.db2.gz XARHXIPLPOBLGL-MSOLQXFVSA-N 0 0 411.502 3.512 40 5 HHBBRN CCOc1ccc2[nH]c3nc(SCC(=O)Nc4cccc([N+](=O)[O-])c4)nnc3c2c1 ZINC000012707514 569402877 /nfs/dbraw/zinc/40/28/77/569402877.db2.gz ODMWHVKOJVYUKA-UHFFFAOYSA-N 0 0 424.442 3.544 40 5 HHBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 ZINC000013370228 569412358 /nfs/dbraw/zinc/41/23/58/569412358.db2.gz KWIXCEPPKLVGRU-ATVHPVEESA-N 0 0 422.353 3.506 40 5 HHBBRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1[N+](=O)[O-] ZINC000013382187 569413153 /nfs/dbraw/zinc/41/31/53/569413153.db2.gz SOMMIQYQNNOCNF-UHFFFAOYSA-N 0 0 415.387 3.592 40 5 HHBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCSCc2c(F)cccc2Cl)c1 ZINC000038752719 571079118 /nfs/dbraw/zinc/07/91/18/571079118.db2.gz RRVSVRKCTGISGN-UHFFFAOYSA-N 0 0 418.899 3.740 40 5 HHBBRN O=c1c2c3nc4ccccc4nc3n(C[C@H]3CCCO3)c2ncn1Cc1cccs1 ZINC000005030635 960640950 /nfs/dbraw/zinc/64/09/50/960640950.db2.gz NNKLBCAHMPXLRV-CQSZACIVSA-N 0 0 417.494 3.583 40 5 HHBBRN COC(=O)c1cc([N+](=O)[O-])cc2nc(-c3cccc(I)c3)oc21 ZINC000073641700 521914107 /nfs/dbraw/zinc/91/41/07/521914107.db2.gz QUAWZFYGIKFHAR-UHFFFAOYSA-N 0 0 424.150 3.794 40 5 HHBBRN COc1ccccc1OCc1nnc(SCC(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000019927421 524688296 /nfs/dbraw/zinc/68/82/96/524688296.db2.gz WHXBFTRSGBTJEV-UHFFFAOYSA-N 0 0 401.400 3.540 40 5 HHBBRN Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cccc1[N+](=O)[O-] ZINC000020061885 525861470 /nfs/dbraw/zinc/86/14/70/525861470.db2.gz JBXXJGTZJVXCCI-UHFFFAOYSA-N 0 0 423.878 3.593 40 5 HHBBRN CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000016320842 558786004 /nfs/dbraw/zinc/78/60/04/558786004.db2.gz COXKSHWZFYPGCH-UHFFFAOYSA-N 0 0 424.438 3.940 40 5 HHBBRN O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 ZINC000013647322 558850348 /nfs/dbraw/zinc/85/03/48/558850348.db2.gz PZOHUBQAACXFED-UHFFFAOYSA-N 0 0 416.430 3.791 40 5 HHBBRN CCOc1ccc([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1OCC ZINC000013669912 558853276 /nfs/dbraw/zinc/85/32/76/558853276.db2.gz JMLVJMUPYUDXOC-CQSZACIVSA-N 0 0 408.476 3.740 40 5 HHBBRN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716631 558857978 /nfs/dbraw/zinc/85/79/78/558857978.db2.gz YCOGXFRONCDMOA-GOSISDBHSA-N 0 0 419.503 3.703 40 5 HHBBRN CCc1cccc(CC)c1NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220410323 559076968 /nfs/dbraw/zinc/07/69/68/559076968.db2.gz VIXLNCOKKBUPLB-CQSZACIVSA-N 0 0 419.503 3.513 40 5 HHBBRN CCN1CCN(c2cc(NC(=O)c3ccccc3C)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229090 559169859 /nfs/dbraw/zinc/16/98/59/559169859.db2.gz RWQDTGOVOJNCCZ-UHFFFAOYSA-N 0 0 402.882 3.951 40 5 HHBBRN Cn1c2cc(NC(=O)CSc3cccc4ccccc43)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408542625 559217145 /nfs/dbraw/zinc/21/71/45/559217145.db2.gz KAZBJIJPHZOARB-UHFFFAOYSA-N 0 0 422.466 3.669 40 5 HHBBRN CCN(CC)C(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000408603655 559220799 /nfs/dbraw/zinc/22/07/99/559220799.db2.gz GPFAVWZZJOYXGF-SFHVURJKSA-N 0 0 414.487 3.516 40 5 HHBBRN O=C(NC(=S)Nc1ccccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000408628892 559221758 /nfs/dbraw/zinc/22/17/58/559221758.db2.gz XQCKPXMNCBTAQE-UHFFFAOYSA-N 0 0 404.879 3.975 40 5 HHBBRN CC(=O)Nc1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1 ZINC000408639815 559222830 /nfs/dbraw/zinc/22/28/30/559222830.db2.gz ZXGPNWSBSNDNIJ-UHFFFAOYSA-N 0 0 401.360 3.663 40 5 HHBBRN COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc43)C2)c1 ZINC000408639355 559222837 /nfs/dbraw/zinc/22/28/37/559222837.db2.gz FUWIOGRVMXQECW-HNNXBMFYSA-N 0 0 405.410 3.748 40 5 HHBBRN COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc43)C2)c1 ZINC000408639362 559222840 /nfs/dbraw/zinc/22/28/40/559222840.db2.gz FUWIOGRVMXQECW-OAHLLOKOSA-N 0 0 405.410 3.748 40 5 HHBBRN O=C(CCC(=O)OCC(=O)Nc1cccc2ccccc21)Nc1cccc([N+](=O)[O-])c1 ZINC000408666341 559223737 /nfs/dbraw/zinc/22/37/37/559223737.db2.gz YSEJVNOOXOGWNA-UHFFFAOYSA-N 0 0 421.409 3.649 40 5 HHBBRN O=C(CCCC(=O)OCC(=O)Nc1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000408668997 559223757 /nfs/dbraw/zinc/22/37/57/559223757.db2.gz VKGQBGFUTJLMGP-UHFFFAOYSA-N 0 0 419.821 3.539 40 5 HHBBRN O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1Cl ZINC000409248554 559246405 /nfs/dbraw/zinc/24/64/05/559246405.db2.gz HHHAQQSEIKZHTN-OQLLNIDSSA-N 0 0 417.830 3.923 40 5 HHBBRN CN1C(=O)S/C(=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O ZINC000409354428 559248373 /nfs/dbraw/zinc/24/83/73/559248373.db2.gz FIIRODWDONQWLO-OVCLIPMQSA-N 0 0 401.356 3.961 40 5 HHBBRN O=C(c1ccccc1Cl)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000000871868 560536347 /nfs/dbraw/zinc/53/63/47/560536347.db2.gz ZCMAEIXVRLDSBR-UHFFFAOYSA-N 0 0 402.863 3.820 40 5 HHBBRN O=C1[C@H]2[C@H](ON(c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2)C(=O)N1c1ccccc1 ZINC000005215235 560540182 /nfs/dbraw/zinc/54/01/82/560540182.db2.gz KLSOIPVTUNNHBD-NJYVYQBISA-N 0 0 415.405 3.646 40 5 HHBBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409154439 560685259 /nfs/dbraw/zinc/68/52/59/560685259.db2.gz OKQFSXJGGRCNOO-MHWRWJLKSA-N 0 0 411.439 3.887 40 5 HHBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1 ZINC000106709893 560893281 /nfs/dbraw/zinc/89/32/81/560893281.db2.gz JDETXBHLFCNQGP-DHDCSXOGSA-N 0 0 417.830 3.923 40 5 HHBBRN O=C1OC(c2cccc(I)c2)=N/C1=C\c1ccccc1[N+](=O)[O-] ZINC000000832140 568501467 /nfs/dbraw/zinc/50/14/67/568501467.db2.gz JTOZQGNOJFPPCL-LCYFTJDESA-N 0 0 420.162 3.544 40 5 HHBBRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000021344863 568687551 /nfs/dbraw/zinc/68/75/51/568687551.db2.gz GSRYTDYVHWQOBN-UHFFFAOYSA-N 0 0 403.438 3.749 40 5 HHBBRN CCn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccncc1 ZINC000000886909 568736777 /nfs/dbraw/zinc/73/67/77/568736777.db2.gz DWRBYNSQEXQQDL-UHFFFAOYSA-N 0 0 418.866 3.652 40 5 HHBBRN CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222514132 568761294 /nfs/dbraw/zinc/76/12/94/568761294.db2.gz WNBHUWXQZLNOBI-LJQANCHMSA-N 0 0 419.503 3.902 40 5 HHBBRN CC[C@H](C(=O)Nc1ccccc1C(C)C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222522760 568761671 /nfs/dbraw/zinc/76/16/71/568761671.db2.gz GKSRGPIDSTYBPV-LJQANCHMSA-N 0 0 419.503 3.902 40 5 HHBBRN COc1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1Br ZINC000001041622 568764456 /nfs/dbraw/zinc/76/44/56/568764456.db2.gz DRYJGHWTNVMWTD-ZSOIEALJSA-N 0 0 403.188 3.710 40 5 HHBBRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222637735 568766262 /nfs/dbraw/zinc/76/62/62/568766262.db2.gz NKAMRXADMLEZJO-LBPRGKRZSA-N 0 0 424.284 3.607 40 5 HHBBRN CCOc1ccc(C(=O)Nc2ccccc2-c2nn3c(C)nnc3s2)cc1[N+](=O)[O-] ZINC000057315959 568826451 /nfs/dbraw/zinc/82/64/51/568826451.db2.gz NSFLJVMRHWVCST-UHFFFAOYSA-N 0 0 424.442 3.720 40 5 HHBBRN O=C1c2ccc(-c3nc4ccccc4c(=O)o3)cc2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000003146434 568858181 /nfs/dbraw/zinc/85/81/81/568858181.db2.gz XGXFTNYXWKVKBR-UHFFFAOYSA-N 0 0 413.345 3.564 40 5 HHBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000015408211 568885506 /nfs/dbraw/zinc/88/55/06/568885506.db2.gz OHVSCVLNSXZMRJ-UHFFFAOYSA-N 0 0 415.402 3.787 40 5 HHBBRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223096859 568913857 /nfs/dbraw/zinc/91/38/57/568913857.db2.gz WHHLZLOCLDWAHC-SFHVURJKSA-N 0 0 411.502 3.779 40 5 HHBBRN O=C(COc1ccccc1Cl)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000015534409 568945935 /nfs/dbraw/zinc/94/59/35/568945935.db2.gz PIRFVTKOGZMTIX-UHFFFAOYSA-N 0 0 410.257 3.629 40 5 HHBBRN O=[N+]([O-])c1cccc(CNc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)c1 ZINC000329059007 568974853 /nfs/dbraw/zinc/97/48/53/568974853.db2.gz WEVVIGBEPSCLTD-UHFFFAOYSA-N 0 0 404.474 3.647 40 5 HHBBRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223517683 569023478 /nfs/dbraw/zinc/02/34/78/569023478.db2.gz ZTKPTVFJXLAETI-SFHVURJKSA-N 0 0 411.502 3.513 40 5 HHBBRN CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224313397 569057124 /nfs/dbraw/zinc/05/71/24/569057124.db2.gz ZXFAXQPRKSZKIR-GOSISDBHSA-N 0 0 417.893 3.734 40 5 HHBBRN CCSC1=NN2[C@@H](C(=O)N1)c1ccccc1N[C@@H]2c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000588229066 569246223 /nfs/dbraw/zinc/24/62/23/569246223.db2.gz BPADGLUYUSWQFD-CVEARBPZSA-N 0 0 417.878 3.870 40 5 HHBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000017092437 569273291 /nfs/dbraw/zinc/27/32/91/569273291.db2.gz BBGPJLLHHQRDKA-UHFFFAOYSA-N 0 0 420.809 3.554 40 5 HHBBRN CC(=O)c1cccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000017089163 569273430 /nfs/dbraw/zinc/27/34/30/569273430.db2.gz LDXGALQXMRQZQK-UHFFFAOYSA-N 0 0 412.471 3.524 40 5 HHBBRN O=C(c1cccnc1Cl)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000017090122 569273623 /nfs/dbraw/zinc/27/36/23/569273623.db2.gz ZCTSVCDMTAWDBC-UHFFFAOYSA-N 0 0 414.771 3.624 40 5 HHBBRN CCOc1ccc(C(=O)NC(=S)Nc2cccc3c(O)cccc23)cc1[N+](=O)[O-] ZINC000017088857 569273733 /nfs/dbraw/zinc/27/37/33/569273733.db2.gz IYLMPDXJWIVBSD-UHFFFAOYSA-N 0 0 411.439 3.979 40 5 HHBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(OC)c1 ZINC000215027817 569323951 /nfs/dbraw/zinc/32/39/51/569323951.db2.gz AXYVSXBCOWOVIJ-RQZCQDPDSA-N 0 0 400.412 3.849 40 5 HHBBRN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000006417477 569332087 /nfs/dbraw/zinc/33/20/87/569332087.db2.gz ZJIKCKDIBXRLCC-UHFFFAOYSA-N 0 0 416.865 3.559 40 5 HHBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccc(C)cc2)no1 ZINC000007605459 569337998 /nfs/dbraw/zinc/33/79/98/569337998.db2.gz NCBYSZGFWGDBFG-UHFFFAOYSA-N 0 0 400.416 3.693 40 5 HHBBRN CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000008472633 569341193 /nfs/dbraw/zinc/34/11/93/569341193.db2.gz SCPPVUITDRHANX-AEFFLSMTSA-N 0 0 405.410 3.693 40 5 HHBBRN O=c1sc(-c2ccccc2)nc(Nc2ccc(N3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000107960084 569353273 /nfs/dbraw/zinc/35/32/73/569353273.db2.gz DVGFQZNEHAFTLI-UHFFFAOYSA-N 0 0 410.455 3.659 40 5 HHBBRN C[C@H]1CC[C@H]2C(=O)N(c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@@H]2C1 ZINC000017986630 569382245 /nfs/dbraw/zinc/38/22/45/569382245.db2.gz RQYNFXLABWOWGX-MJXNMMHHSA-N 0 0 408.410 3.740 40 5 HHBBRN O=[N+]([O-])c1cccc(CNc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)c1 ZINC000328970295 569422853 /nfs/dbraw/zinc/42/28/53/569422853.db2.gz DIJSTNCJPHFMCG-UHFFFAOYSA-N 0 0 404.474 3.647 40 5 HHBBRN O=[N+]([O-])c1cc(F)ccc1Nc1cc(-c2ccccn2)nc(NC2CCCCC2)n1 ZINC000329004296 569423226 /nfs/dbraw/zinc/42/32/26/569423226.db2.gz KRAMAKIHSFXXJU-UHFFFAOYSA-N 0 0 408.437 3.918 40 5 HHBBRN CCOC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Br ZINC000012659364 962307379 /nfs/dbraw/zinc/30/73/79/962307379.db2.gz BVKZBEYGESCQJO-WJDWOHSUSA-N 0 0 419.231 3.691 40 5 HHBBRN O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000032127919 527514001 /nfs/dbraw/zinc/51/40/01/527514001.db2.gz WYZVDKHCCDWSRP-UHFFFAOYSA-N 0 0 418.862 3.947 40 5 HHBBRN COc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1OC ZINC000408570319 557467368 /nfs/dbraw/zinc/46/73/68/557467368.db2.gz KWXIUXHSDBUMPA-GOSISDBHSA-N 0 0 400.460 3.703 40 5 HHBBRN COc1cc(OCC(=O)NCCSCc2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000219820999 558827623 /nfs/dbraw/zinc/82/76/23/558827623.db2.gz GNRPWBFXKLKWKF-UHFFFAOYSA-N 0 0 410.879 3.685 40 5 HHBBRN O=C1C[C@@H](c2ccco2)Cc2nc3nc(SCc4cccc([N+](=O)[O-])c4)nn3cc21 ZINC000013634317 558848859 /nfs/dbraw/zinc/84/88/59/558848859.db2.gz OSVMKACHIKTYRB-ZDUSSCGKSA-N 0 0 421.438 3.831 40 5 HHBBRN CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716633 558857936 /nfs/dbraw/zinc/85/79/36/558857936.db2.gz YCOGXFRONCDMOA-SFHVURJKSA-N 0 0 419.503 3.703 40 5 HHBBRN CCOc1ccc(N2C(=S)N=NC2c2cc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000004626464 558873277 /nfs/dbraw/zinc/87/32/77/558873277.db2.gz YAGWKPPNCZCKJH-UHFFFAOYSA-N 0 0 408.443 3.920 40 5 HHBBRN C[C@H](C(=O)Nc1cccc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220400788 559074018 /nfs/dbraw/zinc/07/40/18/559074018.db2.gz RAURDVBQVZXBFE-CQSZACIVSA-N 0 0 413.455 3.541 40 5 HHBBRN CCSc1ccccc1NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220422611 559078667 /nfs/dbraw/zinc/07/86/67/559078667.db2.gz QRVRXNAQPJBJIJ-CYBMUJFWSA-N 0 0 423.516 3.500 40 5 HHBBRN Cc1ccc(S(=O)(=O)NCCSc2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000004839031 559163625 /nfs/dbraw/zinc/16/36/25/559163625.db2.gz ILITTYUGCQMDGO-UHFFFAOYSA-N 0 0 409.514 3.584 40 5 HHBBRN CCN1CCN(c2cc(NC(=O)c3cccc(OC)c3)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229562 559170126 /nfs/dbraw/zinc/17/01/26/559170126.db2.gz MTEFGJIPQALGER-UHFFFAOYSA-N 0 0 418.881 3.651 40 5 HHBBRN Cc1ccc(C(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1[N+](=O)[O-] ZINC000014629879 559171554 /nfs/dbraw/zinc/17/15/54/559171554.db2.gz XVTLDNHVNXELKH-UHFFFAOYSA-N 0 0 415.318 3.561 40 5 HHBBRN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220543441 559173414 /nfs/dbraw/zinc/17/34/14/559173414.db2.gz MRDWTVMQMOORKU-GOSISDBHSA-N 0 0 419.503 3.703 40 5 HHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2cc(Cl)ccc2C)CC1=O ZINC000408640914 559222975 /nfs/dbraw/zinc/22/29/75/559222975.db2.gz KJNCWLGXFFOFSP-GFCCVEGCSA-N 0 0 403.822 3.557 40 5 HHBBRN Cc1cc(NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])cc(C)c1Br ZINC000408646539 559223164 /nfs/dbraw/zinc/22/31/64/559223164.db2.gz PJRMJRIUWOXGNH-UHFFFAOYSA-N 0 0 407.220 3.770 40 5 HHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)CC1=O ZINC000408646149 559223195 /nfs/dbraw/zinc/22/31/95/559223195.db2.gz VPXQWAQRIDKQJF-LBPRGKRZSA-N 0 0 403.822 3.557 40 5 HHBBRN CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3cc([N+](=O)[O-])ccc3F)C(=O)[C@H]2C1 ZINC000408677661 559223935 /nfs/dbraw/zinc/22/39/35/559223935.db2.gz DWRYHWBAQMNRIT-HOCLYGCPSA-N 0 0 423.400 3.832 40 5 HHBBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O ZINC000409167710 559243313 /nfs/dbraw/zinc/24/33/13/559243313.db2.gz JKRALHYPLJEBTL-MHWRWJLKSA-N 0 0 411.439 3.887 40 5 HHBBRN CN1C(=O)N/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C1=O ZINC000409189099 559243654 /nfs/dbraw/zinc/24/36/54/559243654.db2.gz CSHWHCQYNRWDRJ-XDHOZWIPSA-N 0 0 403.394 3.850 40 5 HHBBRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)c(Cl)c1 ZINC000409209616 559244768 /nfs/dbraw/zinc/24/47/68/559244768.db2.gz GVCYHZRSWMDEBU-UHFFFAOYSA-N 0 0 413.611 3.806 40 5 HHBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1C ZINC000409355070 559248203 /nfs/dbraw/zinc/24/82/03/559248203.db2.gz BKJKNPLQBFUOFN-VCHYOVAHSA-N 0 0 412.423 3.831 40 5 HHBBRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000409351888 559248382 /nfs/dbraw/zinc/24/83/82/559248382.db2.gz BLHNQFSZGLNXEH-LICLKQGHSA-N 0 0 411.439 3.887 40 5 HHBBRN Cc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004953295 560617229 /nfs/dbraw/zinc/61/72/29/560617229.db2.gz SQWJNTSBVWFYLS-KRWDZBQOSA-N 0 0 416.890 3.988 40 5 HHBBRN CCOc1cc(CO)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409118456 560679253 /nfs/dbraw/zinc/67/92/53/560679253.db2.gz QHDULPYZKYLEOK-UHFFFAOYSA-N 0 0 413.180 3.949 40 5 HHBBRN COCCN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O ZINC000409133963 560682049 /nfs/dbraw/zinc/68/20/49/560682049.db2.gz ODHWSNDMOMHDNA-LDADJPATSA-N 0 0 414.439 3.857 40 5 HHBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O)Nc1ccc(Cl)cc1 ZINC000409160856 560685075 /nfs/dbraw/zinc/68/50/75/560685075.db2.gz ZUNJPNDCOYQUQP-OQLLNIDSSA-N 0 0 417.830 3.923 40 5 HHBBRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000409364763 560715240 /nfs/dbraw/zinc/71/52/40/560715240.db2.gz LMTDWTQZMHZSSD-LICLKQGHSA-N 0 0 411.439 3.887 40 5 HHBBRN O=C(Oc1ccc(F)cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000024522257 560843485 /nfs/dbraw/zinc/84/34/85/560843485.db2.gz RBBUJUJTFNCNPH-UHFFFAOYSA-N 0 0 401.371 3.786 40 5 HHBBRN O=C(Nc1nc2c(cccc2Cl)s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017091676 560866329 /nfs/dbraw/zinc/86/63/29/560866329.db2.gz LHJKRTXCIKXBGG-UHFFFAOYSA-N 0 0 418.862 3.947 40 5 HHBBRN O=C1S/C(=C\c2coc3ccccc3c2=O)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106739374 560893575 /nfs/dbraw/zinc/89/35/75/560893575.db2.gz OMZGCMCVXYHZQX-MFOYZWKCSA-N 0 0 408.391 3.938 40 5 HHBBRN Cc1nc(Nc2cccc([N+](=O)[O-])c2)nc(Nc2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC000049762919 568453408 /nfs/dbraw/zinc/45/34/08/568453408.db2.gz MROXKTQIONINEZ-UHFFFAOYSA-N 0 0 411.334 3.997 40 5 HHBBRN O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000210809222 568514464 /nfs/dbraw/zinc/51/44/64/568514464.db2.gz WGSYWJYYYNHTOP-OQLLNIDSSA-N 0 0 417.830 3.923 40 5 HHBBRN COc1c([N+](=O)[O-])cc(NC(=O)COc2cc(C)ccc2C(C)C)cc1[N+](=O)[O-] ZINC000020528886 568625844 /nfs/dbraw/zinc/62/58/44/568625844.db2.gz VDZKZZORYHTISM-UHFFFAOYSA-N 0 0 403.391 3.961 40 5 HHBBRN CC(C)N1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O ZINC000095909131 568657741 /nfs/dbraw/zinc/65/77/41/568657741.db2.gz NOMVSDQTOAIXOV-BZSNNMDCSA-N 0 0 415.833 3.503 40 5 HHBBRN CC[C@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222522453 568761677 /nfs/dbraw/zinc/76/16/77/568761677.db2.gz VYSQEYMQFSAHKC-GOSISDBHSA-N 0 0 419.503 3.703 40 5 HHBBRN CC[C@H](C(=O)Nc1cccc(C)c1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222533832 568762798 /nfs/dbraw/zinc/76/27/98/568762798.db2.gz YUYJIFFVACDEFZ-GOSISDBHSA-N 0 0 419.503 3.703 40 5 HHBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222608590 568764776 /nfs/dbraw/zinc/76/47/76/568764776.db2.gz NJFBZOISFWNYNI-IBGZPJMESA-N 0 0 415.465 3.608 40 5 HHBBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(OC)c(OC)cc3[N+](=O)[O-])N21 ZINC000222649509 568766638 /nfs/dbraw/zinc/76/66/38/568766638.db2.gz UJEHBRXHYJFQQI-GESALYCCSA-N 0 0 414.487 3.986 40 5 HHBBRN CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000002697449 568801082 /nfs/dbraw/zinc/80/10/82/568801082.db2.gz SZSJVJGHUUWMNQ-UHFFFAOYSA-N 0 0 401.444 3.679 40 5 HHBBRN O=C(Oc1cccc(OC(=O)c2cccc([N+](=O)[O-])c2)c1)c1cccc([N+](=O)[O-])c1 ZINC000002776159 568808020 /nfs/dbraw/zinc/80/80/20/568808020.db2.gz PHRBTRXAQWUWOT-UHFFFAOYSA-N 0 0 408.322 3.941 40 5 HHBBRN O=C(COc1ccc(Br)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000005863737 568826271 /nfs/dbraw/zinc/82/62/71/568826271.db2.gz KJDBEEJWEPYPLQ-UHFFFAOYSA-N 0 0 408.233 3.985 40 5 HHBBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000223035418 568910045 /nfs/dbraw/zinc/91/00/45/568910045.db2.gz GBRFQFSIFFIXIZ-PMACEKPBSA-N 0 0 424.482 3.869 40 5 HHBBRN Cc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c2)cc1 ZINC000001312811 568913696 /nfs/dbraw/zinc/91/36/96/568913696.db2.gz HCIIOLSRPZINRQ-UHFFFAOYSA-N 0 0 423.175 3.614 40 5 HHBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223136417 568914887 /nfs/dbraw/zinc/91/48/87/568914887.db2.gz NKBRDBSEYOFAGO-IBGZPJMESA-N 0 0 411.502 3.859 40 5 HHBBRN COc1ccc(-c2nnc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000223266465 568933929 /nfs/dbraw/zinc/93/39/29/568933929.db2.gz CJUJHSWGLCIQFN-UHFFFAOYSA-N 0 0 416.484 3.994 40 5 HHBBRN CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000032114600 568945446 /nfs/dbraw/zinc/94/54/46/568945446.db2.gz FURZAPDMTQKXLW-UHFFFAOYSA-N 0 0 420.878 3.970 40 5 HHBBRN O=C1[C@@H]2[C@H](C(=O)N1c1ccc(F)cc1)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000001512727 569007623 /nfs/dbraw/zinc/00/76/23/569007623.db2.gz RKHULYNMYFJETC-CAZKKTPXSA-N 0 0 414.392 3.611 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000223921559 569032632 /nfs/dbraw/zinc/03/26/32/569032632.db2.gz RBRXUAQCMPEEHK-UHFFFAOYSA-N 0 0 411.439 3.956 40 5 HHBBRN O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000006249123 569034497 /nfs/dbraw/zinc/03/44/97/569034497.db2.gz BGWBWEDJGZSNTE-UHFFFAOYSA-N 0 0 410.474 3.674 40 5 HHBBRN O=C(OC/C(=C/Cl)OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000001749528 569048824 /nfs/dbraw/zinc/04/88/24/569048824.db2.gz MWAHPPQBLQTKSF-DHDCSXOGSA-N 0 0 406.734 3.597 40 5 HHBBRN COc1ccc(C(=O)CCC(=O)OCC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000001850897 569056566 /nfs/dbraw/zinc/05/65/66/569056566.db2.gz ZIAQVRWXRBXYRV-UHFFFAOYSA-N 0 0 405.790 3.646 40 5 HHBBRN COc1ccc2c3nccc4c5cc(OCC(C)=O)ccc5n(c43)c(=O)c2c1OC ZINC000006624378 569061104 /nfs/dbraw/zinc/06/11/04/569061104.db2.gz LDDJMFXNVSJXTN-UHFFFAOYSA-N 0 0 402.406 3.577 40 5 biogenic HHBBRN O=C(CCCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccccc1Cl ZINC000138736186 569185084 /nfs/dbraw/zinc/18/50/84/569185084.db2.gz RZQLEZNZVIRPHX-UHFFFAOYSA-N 0 0 419.821 3.539 40 5 HHBBRN Cc1ccc(OCC(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1C ZINC000006966697 569190812 /nfs/dbraw/zinc/19/08/12/569190812.db2.gz KYKYOOBFSLYONE-UHFFFAOYSA-N 0 0 403.866 3.593 40 5 HHBBRN CC1CCN(c2ccc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1 ZINC000017093955 569273392 /nfs/dbraw/zinc/27/33/92/569273392.db2.gz VJXHSZSULPSBDR-UHFFFAOYSA-N 0 0 424.501 3.920 40 5 HHBBRN CCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000017091686 569273972 /nfs/dbraw/zinc/27/39/72/569273972.db2.gz PMAGKNSCJYVBAG-UHFFFAOYSA-N 0 0 418.881 3.651 40 5 HHBBRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(C)cc2[N+](=O)[O-])c(F)c1F ZINC000017090999 569274610 /nfs/dbraw/zinc/27/46/10/569274610.db2.gz NOHINXZOFCWGQT-UHFFFAOYSA-N 0 0 417.340 3.595 40 5 HHBBRN COc1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000017089887 569274619 /nfs/dbraw/zinc/27/46/19/569274619.db2.gz QJLJAYVRSRLZCY-UHFFFAOYSA-N 0 0 414.487 3.721 40 5 HHBBRN CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000224788970 569289559 /nfs/dbraw/zinc/28/95/59/569289559.db2.gz WSIRQJGUBBGXPA-UHFFFAOYSA-N 0 0 406.460 3.604 40 5 HHBBRN CCOC(=O)c1cc(N(CC)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000225039399 569323514 /nfs/dbraw/zinc/32/35/14/569323514.db2.gz QQCXCCGKEYKOBX-UHFFFAOYSA-N 0 0 412.851 3.640 40 5 HHBBRN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])o2)c1 ZINC000005294903 569328529 /nfs/dbraw/zinc/32/85/29/569328529.db2.gz YERLYQRLFRIMTL-UHFFFAOYSA-N 0 0 400.416 3.596 40 5 HHBBRN O=C(Cc1ccccc1)NCC(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000010041977 569342767 /nfs/dbraw/zinc/34/27/67/569342767.db2.gz BLNNDLSFPZCOAU-UHFFFAOYSA-N 0 0 420.421 3.789 40 5 HHBBRN O=C(CSc1nnc(COc2ccccc2Cl)o1)Nc1ccc([N+](=O)[O-])cc1 ZINC000012677290 569344838 /nfs/dbraw/zinc/34/48/38/569344838.db2.gz XOKIVCIOGNCXCF-UHFFFAOYSA-N 0 0 420.834 3.941 40 5 HHBBRN CCOC(=O)c1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1 ZINC000107976228 569353274 /nfs/dbraw/zinc/35/32/74/569353274.db2.gz AMQSJDTVIORQLW-DHDCSXOGSA-N 0 0 400.774 3.769 40 5 HHBBRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 ZINC000008907483 569390954 /nfs/dbraw/zinc/39/09/54/569390954.db2.gz RKABPZYGPZDTKL-UHFFFAOYSA-N 0 0 410.342 3.909 40 5 HHBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C1=O ZINC000009262247 569392139 /nfs/dbraw/zinc/39/21/39/569392139.db2.gz MHVCRISUBMPYIT-LKBVRNOZSA-N 0 0 416.411 3.761 40 5 HHBBRN Cc1cc(C=O)c(C)n1N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000009324264 569392248 /nfs/dbraw/zinc/39/22/48/569392248.db2.gz PTFLYZKWHNRHCP-UHFFFAOYSA-N 0 0 422.397 3.712 40 5 HHBBRN O=C(CCc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)NCc1cccnc1 ZINC000012849510 569403990 /nfs/dbraw/zinc/40/39/90/569403990.db2.gz VHUOYPFJOAMHQB-UHFFFAOYSA-N 0 0 422.397 3.939 40 5 HHBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)o1 ZINC000012962424 569405381 /nfs/dbraw/zinc/40/53/81/569405381.db2.gz UMWKIGDUOONDRR-ODLFYWEKSA-N 0 0 403.419 3.934 40 5 HHBBRN CNc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328966982 569422896 /nfs/dbraw/zinc/42/28/96/569422896.db2.gz CQCGZRXAEJARIU-UHFFFAOYSA-N 0 0 423.326 3.719 40 5 HHBBRN O=[N+]([O-])c1cc(F)ccc1Nc1cc(-c2cccnc2)nc(NC2CCCCC2)n1 ZINC000328988204 569423222 /nfs/dbraw/zinc/42/32/22/569423222.db2.gz IEPZZPFKCSHNRQ-UHFFFAOYSA-N 0 0 408.437 3.918 40 5 HHBBRN COc1ccc(Nc2cc(-c3ccccc3)nc(N[C@@H](CO)C(C)C)n2)c([N+](=O)[O-])c1 ZINC000328994502 571309195 /nfs/dbraw/zinc/30/91/95/571309195.db2.gz JEYXZARYQKDRAU-IBGZPJMESA-N 0 0 423.473 4.233 40 5 HHBBRN Cc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)nn12 ZINC000032127859 526424249 /nfs/dbraw/zinc/42/42/49/526424249.db2.gz KHNOGQJEEUCHEJ-UHFFFAOYSA-N 0 0 408.443 3.939 40 5 HHBBRN O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 ZINC000032124595 527103957 /nfs/dbraw/zinc/10/39/57/527103957.db2.gz VKCFEMKBPMDDHA-BOPFTXTBSA-N 0 0 416.480 3.916 40 5 HHBBRN C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000408676723 557681561 /nfs/dbraw/zinc/68/15/61/557681561.db2.gz BHFXJKHOAYDLPB-YSGRDPCXSA-N 0 0 421.453 3.573 40 5 HHBBRN C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 ZINC000408683150 557694775 /nfs/dbraw/zinc/69/47/75/557694775.db2.gz KNCSAPXQFIIWFU-SZVBFZGTSA-N 0 0 421.453 3.573 40 5 HHBBRN CCOc1cc(C=C2SC(=O)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000013551645 558842764 /nfs/dbraw/zinc/84/27/64/558842764.db2.gz BETXQROPAUMXBT-YVLHZVERSA-N 0 0 400.412 3.896 40 5 HHBBRN C[C@@H](C(=O)Nc1cccc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220400719 559074033 /nfs/dbraw/zinc/07/40/33/559074033.db2.gz RAURDVBQVZXBFE-AWEZNQCLSA-N 0 0 413.455 3.541 40 5 HHBBRN CN1CCN(c2cc(NC(=O)c3ccccc3Cl)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229231 559169959 /nfs/dbraw/zinc/16/99/59/559169959.db2.gz JPNAMPCAMFVHKQ-UHFFFAOYSA-N 0 0 409.273 3.906 40 5 HHBBRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCC ZINC000408588013 559219988 /nfs/dbraw/zinc/21/99/88/559219988.db2.gz VWKWWFRCKDSKEV-UHFFFAOYSA-N 0 0 423.447 3.671 40 5 HHBBRN CCOc1ccc(Br)cc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408585698 559220112 /nfs/dbraw/zinc/22/01/12/559220112.db2.gz HJAIULKKCGXNRL-UHFFFAOYSA-N 0 0 408.204 3.796 40 5 HHBBRN COc1ccc(CNC(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000408615000 559221599 /nfs/dbraw/zinc/22/15/99/559221599.db2.gz KPYLDXRYVFXZPR-UHFFFAOYSA-N 0 0 405.410 3.786 40 5 HHBBRN Cc1c(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)cc2)cccc1[N+](=O)[O-] ZINC000408625888 559222049 /nfs/dbraw/zinc/22/20/49/559222049.db2.gz FXQBHIVYGWJLMF-UHFFFAOYSA-N 0 0 400.460 3.625 40 5 HHBBRN O=C(NC(=S)Nc1ccc(Cl)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000408627128 559222068 /nfs/dbraw/zinc/22/20/68/559222068.db2.gz KMCVJTJHDRVBBI-UHFFFAOYSA-N 0 0 404.879 3.975 40 5 HHBBRN CC(=O)Nc1cccc(-c2nnc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)c1 ZINC000408637690 559222683 /nfs/dbraw/zinc/22/26/83/559222683.db2.gz NACCABWHFMPUKT-UHFFFAOYSA-N 0 0 401.360 3.663 40 5 HHBBRN Cc1cc2c(nc3s/c(=C\c4cccn4-c4ccc([N+](=O)[O-])cc4)c(=O)n23)c(C)c1 ZINC000050861745 559278449 /nfs/dbraw/zinc/27/84/49/559278449.db2.gz KGCWOQUUWJHVST-UNOMPAQXSA-N 0 0 416.462 3.773 40 5 HHBBRN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2([N+](=O)[O-])c4ccccc4C3c3ccccc32)cc1 ZINC000005544369 560607212 /nfs/dbraw/zinc/60/72/12/560607212.db2.gz IGTVEUKVEWXCRB-YCIYHOANSA-N 0 0 410.429 3.780 40 5 HHBBRN COc1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1[N+](=O)[O-] ZINC000408917256 560653494 /nfs/dbraw/zinc/65/34/94/560653494.db2.gz PWWWGWYPDRWMSN-CXUHLZMHSA-N 0 0 415.383 3.748 40 5 HHBBRN CC(=O)CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 ZINC000408987476 560661857 /nfs/dbraw/zinc/66/18/57/560661857.db2.gz QGQKDCPSIIKBEO-UHFFFAOYSA-N 0 0 413.436 3.686 40 5 HHBBRN CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409129168 560681547 /nfs/dbraw/zinc/68/15/47/560681547.db2.gz RADVSNOCXZNACI-CQSZACIVSA-N 0 0 411.487 3.843 40 5 HHBBRN Cc1ccc(S(=O)(=O)NCc2nc(-c3ccc(C(C)C)cc3)no2)cc1[N+](=O)[O-] ZINC000223581709 568552300 /nfs/dbraw/zinc/55/23/00/568552300.db2.gz MBLFXUKLFFVJKJ-UHFFFAOYSA-N 0 0 416.459 3.555 40 5 HHBBRN COc1ccc(NC(=O)CSc2n[nH]c(-c3ccccc3Cl)n2)c([N+](=O)[O-])c1 ZINC000019928167 568585947 /nfs/dbraw/zinc/58/59/47/568585947.db2.gz HWAKQJKTUVTMGY-UHFFFAOYSA-N 0 0 419.850 3.773 40 5 HHBBRN O=C(Nc1ccc2[nH]c(-c3cccnc3)nc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000020479435 568612479 /nfs/dbraw/zinc/61/24/79/568612479.db2.gz PZWRZUIPTLBNBP-UHFFFAOYSA-N 0 0 404.342 3.694 40 5 HHBBRN O=[N+]([O-])c1cc(-c2nn3c(nnc3-c3ccc(Cl)cc3)s2)cc([N+](=O)[O-])c1 ZINC000015083095 568749900 /nfs/dbraw/zinc/74/99/00/568749900.db2.gz OARAIBAFALVIBT-UHFFFAOYSA-N 0 0 402.779 3.990 40 5 HHBBRN Cc1ccc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(C)c1 ZINC000222371702 568752555 /nfs/dbraw/zinc/75/25/55/568752555.db2.gz GBACPNQCQUUINL-UHFFFAOYSA-N 0 0 419.503 3.705 40 5 HHBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225721213 568779723 /nfs/dbraw/zinc/77/97/23/568779723.db2.gz ZTWQQMUCTYWQEE-FQEVSTJZSA-N 0 0 411.502 3.778 40 5 HHBBRN O=[N+]([O-])c1ccc(-c2cc(O)cc(Sc3nnnn3-c3ccccc3)c2O)cc1 ZINC000002785139 568808379 /nfs/dbraw/zinc/80/83/79/568808379.db2.gz WNNFXJJAXRELPL-UHFFFAOYSA-N 0 0 407.411 3.800 40 5 HHBBRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1C ZINC000216031819 568813793 /nfs/dbraw/zinc/81/37/93/568813793.db2.gz HKFQXOIJDVRTRD-UHFFFAOYSA-N 0 0 414.443 3.904 40 5 HHBBRN COc1ccc(-c2ccc(C(=O)n3cc(C(N)=O)c4ccccc43)o2)c([N+](=O)[O-])c1 ZINC000226767975 568823501 /nfs/dbraw/zinc/82/35/01/568823501.db2.gz SBMGOOVRTOULJS-UHFFFAOYSA-N 0 0 405.366 3.606 40 5 HHBBRN O=C(NCc1ccccc1)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O ZINC000003137982 568857964 /nfs/dbraw/zinc/85/79/64/568857964.db2.gz HDPKWVNIYYOIQP-UHFFFAOYSA-N 0 0 403.350 3.644 40 5 HHBBRN O=C(NCc1cccnc1)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000015372938 568884242 /nfs/dbraw/zinc/88/42/42/568884242.db2.gz NQXUYKQEWOSSNJ-UHFFFAOYSA-N 0 0 410.817 3.826 40 5 HHBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223090561 568913874 /nfs/dbraw/zinc/91/38/74/568913874.db2.gz GJHYEBNTJXVFOK-CVEARBPZSA-N 0 0 415.465 3.608 40 5 HHBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223136478 568914898 /nfs/dbraw/zinc/91/48/98/568914898.db2.gz NKBRDBSEYOFAGO-LJQANCHMSA-N 0 0 411.502 3.859 40 5 HHBBRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000001349271 568915193 /nfs/dbraw/zinc/91/51/93/568915193.db2.gz DBTOWPBBVRLTGV-UHFFFAOYSA-N 0 0 412.446 3.820 40 5 HHBBRN O=[N+]([O-])c1cc(Br)c(I)c(Br)c1 ZINC000002547548 568931539 /nfs/dbraw/zinc/93/15/39/568931539.db2.gz ZTLNIHDUCWPSGZ-UHFFFAOYSA-N 0 0 406.799 3.724 40 5 HHBBRN COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000004129687 568944640 /nfs/dbraw/zinc/94/46/40/568944640.db2.gz VGRYBZAHSFECLB-LLVKDONJSA-N 0 0 400.416 3.773 40 5 HHBBRN CCOc1cc(C=C2SC(=O)NC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000059514357 568958219 /nfs/dbraw/zinc/95/82/19/568958219.db2.gz REJQBSCAMBAKKJ-MHWRWJLKSA-N 0 0 414.395 3.537 40 5 HHBBRN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000008209265 568982289 /nfs/dbraw/zinc/98/22/89/568982289.db2.gz YPZQCNBVCMZHHD-UHFFFAOYSA-N 0 0 400.416 3.693 40 5 HHBBRN Cc1cc(C(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)ccc1[N+](=O)[O-] ZINC000015787659 569009485 /nfs/dbraw/zinc/00/94/85/569009485.db2.gz KXGMKXRUMWOURI-UHFFFAOYSA-N 0 0 415.318 3.561 40 5 HHBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223722206 569031322 /nfs/dbraw/zinc/03/13/22/569031322.db2.gz HYZVRMJJGJITLL-KRWDZBQOSA-N 0 0 409.486 3.613 40 5 HHBBRN CCCCOC(=O)CNC(=O)c1ccc(C)c(OCc2ccccc2)c1[N+](=O)[O-] ZINC000001712151 569032919 /nfs/dbraw/zinc/03/29/19/569032919.db2.gz OBDOLTNBRJIVBR-UHFFFAOYSA-N 0 0 400.431 3.555 40 5 HHBBRN O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001753028 569051868 /nfs/dbraw/zinc/05/18/68/569051868.db2.gz ALSPJFLKTFSCSX-UHFFFAOYSA-N 0 0 414.321 3.649 40 5 HHBBRN Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](C)C(=O)NCC(C)C ZINC000224114261 569052221 /nfs/dbraw/zinc/05/22/21/569052221.db2.gz GSISTEQIKYTDIW-SFHVURJKSA-N 0 0 411.502 3.635 40 5 HHBBRN COc1cc2sc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)nc2cc1Cl ZINC000017093308 569273312 /nfs/dbraw/zinc/27/33/12/569273312.db2.gz WDHIBILEDUSRCB-UHFFFAOYSA-N 0 0 422.875 3.993 40 5 HHBBRN COc1ccccc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000017089876 569273416 /nfs/dbraw/zinc/27/34/16/569273416.db2.gz ZHIOKUWDSBFPQB-UHFFFAOYSA-N 0 0 414.487 3.721 40 5 HHBBRN COc1c(Cl)cc(C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000017090205 569274653 /nfs/dbraw/zinc/27/46/53/569274653.db2.gz PHAKJEPKRCQNSC-UHFFFAOYSA-N 0 0 415.258 3.542 40 5 HHBBRN O=C(CNC(=O)C(c1ccccc1)c1ccccc1)OCc1cccc([N+](=O)[O-])c1 ZINC000006474732 569332748 /nfs/dbraw/zinc/33/27/48/569332748.db2.gz VLBDTEFRNPPVDG-UHFFFAOYSA-N 0 0 404.422 3.586 40 5 HHBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O ZINC000006597501 569333750 /nfs/dbraw/zinc/33/37/50/569333750.db2.gz AVPYIURSIKLIKL-UHFFFAOYSA-N 0 0 402.362 3.752 40 5 HHBBRN Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000008417238 569340704 /nfs/dbraw/zinc/34/07/04/569340704.db2.gz KQBYCGWMSDHCOV-UHFFFAOYSA-N 0 0 413.430 3.502 40 5 HHBBRN O=C(CNC(=O)c1cccs1)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000010041257 569342677 /nfs/dbraw/zinc/34/26/77/569342677.db2.gz UOCZUBHKTVTHFU-HXUWFJFHSA-N 0 0 424.434 3.554 40 5 HHBBRN CCOC(=O)N1CCN(C(=O)c2ccc3sc4nc5ccccc5nc4c3c2)CC1 ZINC000033618162 569350795 /nfs/dbraw/zinc/35/07/95/569350795.db2.gz BROWZLYIMUBNKJ-UHFFFAOYSA-N 0 0 420.494 3.912 40 5 HHBBRN Cc1cc(OS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(-c2ccc(C)cc2)n1 ZINC000011691523 569363740 /nfs/dbraw/zinc/36/37/40/569363740.db2.gz TVVMTLVYOIRIPD-UHFFFAOYSA-N 0 0 407.835 3.818 40 5 HHBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C1=O ZINC000009262245 569392099 /nfs/dbraw/zinc/39/20/99/569392099.db2.gz MHVCRISUBMPYIT-UJFYRASASA-N 0 0 416.411 3.761 40 5 HHBBRN CC(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN12 ZINC000009312883 569392255 /nfs/dbraw/zinc/39/22/55/569392255.db2.gz VSFJRMLOGUIBII-OKYOBFRVSA-N 0 0 414.259 3.540 40 5 HHBBRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccccc4[N+](=O)[O-])c3)nn12 ZINC000010010262 569394962 /nfs/dbraw/zinc/39/49/62/569394962.db2.gz LCBOVWZFBWGCSR-UHFFFAOYSA-N 0 0 424.442 3.584 40 5 HHBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225461025 569398939 /nfs/dbraw/zinc/39/89/39/569398939.db2.gz LIQXFFGTSUMQTF-XLIONFOSSA-N 0 0 411.502 3.859 40 5 HHBBRN O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1cccc([N+](=O)[O-])c1 ZINC000012249580 569399864 /nfs/dbraw/zinc/39/98/64/569399864.db2.gz PNOGDJDUJDINMC-UHFFFAOYSA-N 0 0 420.834 3.941 40 5 HHBBRN O=[N+]([O-])c1ccccc1CNc1cc(-c2ccccn2)nc(NC2CCCCC2)n1 ZINC000329009630 569423546 /nfs/dbraw/zinc/42/35/46/569423546.db2.gz LVYZKYBHZSHDDD-UHFFFAOYSA-N 0 0 404.474 3.647 40 5 HHBBRN CCOC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000039749995 571134279 /nfs/dbraw/zinc/13/42/79/571134279.db2.gz JLEASIBHXHEPDO-UHFFFAOYSA-N 0 0 413.415 3.934 40 5 HHBBRN COc1c2c(cc3oc4c(CCC(C)(C)O)ccc(O)c4c(=O)c31)O[C@H]1OC=C[C@@H]21 ZINC000014858283 291252168 /nfs/dbraw/zinc/25/21/68/291252168.db2.gz MLCZRFXGJOUFHE-AMXDTQDGSA-N 0 0 410.422 3.710 40 5 biogenic,in-vitro HHBBRN COc1c(O)ccc2oc3c(OC)c4c(c(O)c3c(=O)c21)[C@H]1CCC[C@@](C)(O4)O1 ZINC000031166234 291252182 /nfs/dbraw/zinc/25/21/82/291252182.db2.gz MTCOVRSZCNNQLP-WSVYEEACSA-N 0 0 400.383 3.725 40 5 biogenic,in-vitro HHBBRN CCc1ccc(OCC(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 ZINC000006942863 132321540 /nfs/dbraw/zinc/32/15/40/132321540.db2.gz CWGNTSZVSPDEJW-UHFFFAOYSA-N 0 0 403.866 3.538 40 5 HHBBRN O=C1S/C(=C/c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1 ZINC000032124878 527102331 /nfs/dbraw/zinc/10/23/31/527102331.db2.gz WLOAGDRJVSTNKA-LFIBNONCSA-N 0 0 402.453 3.920 40 5 HHBBRN COc1cc2cc[n+]3c(cc4cc(OC)c(OC)cc4c3CCC(=O)[O-])c2cc1OC ZINC000001732790 557283551 /nfs/dbraw/zinc/28/35/51/557283551.db2.gz ZZBDSLGZEJLIOC-UHFFFAOYSA-O 0 0 422.457 3.783 40 5 HHBBRN CC(=O)OCCC/C(=C\c1ccc(/C=C(\CCCOC(C)=O)[N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000004994648 557622521 /nfs/dbraw/zinc/62/25/21/557622521.db2.gz NWFGYTLLZITUFS-IWGRKNQJSA-N 0 0 420.418 3.608 40 5 HHBBRN COc1cccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c1OC ZINC000004526112 558652078 /nfs/dbraw/zinc/65/20/78/558652078.db2.gz FFMCRDMZHILBGE-MHWRWJLKSA-N 0 0 400.412 3.849 40 5 HHBBRN COc1cccc(-n2ccc3nc4ccn(CCc5ccccc5)c(=O)c4cc3c2=O)c1 ZINC000038829167 558816100 /nfs/dbraw/zinc/81/61/00/558816100.db2.gz PFBLVMDZEUFUPY-UHFFFAOYSA-N 0 0 423.472 3.952 40 5 HHBBRN Cn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccccc1F ZINC000022006665 558983688 /nfs/dbraw/zinc/98/36/88/558983688.db2.gz UERFNMTZSPSAKT-UHFFFAOYSA-N 0 0 421.841 3.914 40 5 HHBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O ZINC000205680613 558983823 /nfs/dbraw/zinc/98/38/23/558983823.db2.gz JFEGCUIVRZWVMA-LICLKQGHSA-N 0 0 400.412 3.936 40 5 HHBBRN Cc1cc(C)c(C)c(Oc2cc([N+](=O)[O-])cc(N3C(=O)[C@H]4[C@H]5CC[C@H](O5)[C@@H]4C3=O)c2)c1 ZINC000013960260 559032257 /nfs/dbraw/zinc/03/22/57/559032257.db2.gz WFXIMDQQONVABX-YHELAOLJSA-N 0 0 422.437 3.979 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1ccccc1C(C)C)S(C)(=O)=O ZINC000220388629 559068441 /nfs/dbraw/zinc/06/84/41/559068441.db2.gz KXQDETBWBWVNFV-HNNXBMFYSA-N 0 0 419.503 3.820 40 5 HHBBRN CCN1CCN(c2cc(NC(=O)c3cccc(C)c3)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229092 559170134 /nfs/dbraw/zinc/17/01/34/559170134.db2.gz YHCWXXKOTBFFPF-UHFFFAOYSA-N 0 0 402.882 3.951 40 5 HHBBRN Cc1c(NS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000408561205 559218563 /nfs/dbraw/zinc/21/85/63/559218563.db2.gz HDJVBZBAMKMVGD-UHFFFAOYSA-N 0 0 418.475 3.722 40 5 HHBBRN CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1[N+](=O)[O-] ZINC000408629055 559221748 /nfs/dbraw/zinc/22/17/48/559221748.db2.gz KFSITRVIRKVJTC-SNVBAGLBSA-N 0 0 403.460 3.531 40 5 HHBBRN COC(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000408683357 559224617 /nfs/dbraw/zinc/22/46/17/559224617.db2.gz MQYQAQLUMOPSDJ-UHFFFAOYSA-N 0 0 419.393 3.886 40 5 HHBBRN Cc1ccc(C)c(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000408705588 559225055 /nfs/dbraw/zinc/22/50/55/559225055.db2.gz JBKVKSGWJIEQBO-UHFFFAOYSA-N 0 0 419.503 3.705 40 5 HHBBRN COCCCN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C1=O ZINC000409239154 559246695 /nfs/dbraw/zinc/24/66/95/559246695.db2.gz GRXDNRAOXBULNM-GZTJUZNOSA-N 0 0 418.427 3.936 40 5 HHBBRN Cc1ccc(C)c(NC(=S)N2CCC(NC(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000004857538 560612032 /nfs/dbraw/zinc/61/20/32/560612032.db2.gz GSXXMETWPCEMBG-UHFFFAOYSA-N 0 0 412.515 3.803 40 5 HHBBRN Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3)o2)cc1[N+](=O)[O-] ZINC000409005986 560664520 /nfs/dbraw/zinc/66/45/20/560664520.db2.gz HXFDYALBVOKSKT-UHFFFAOYSA-N 0 0 400.416 3.596 40 5 HHBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C1=O ZINC000409098065 560676279 /nfs/dbraw/zinc/67/62/79/560676279.db2.gz NFQZDDZLQQEUOK-LKBVRNOZSA-N 0 0 416.411 3.761 40 5 HHBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)o1 ZINC000409198803 560690996 /nfs/dbraw/zinc/69/09/96/560690996.db2.gz LBQJAYKUBNKTGJ-LDADJPATSA-N 0 0 419.393 3.956 40 5 HHBBRN CCCN1C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O ZINC000409231755 560700432 /nfs/dbraw/zinc/70/04/32/560700432.db2.gz KJPYYTSCACPZJF-ZROIWOOFSA-N 0 0 420.219 3.920 40 5 HHBBRN O=C(c1ccc(Cl)cc1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000005181383 560737086 /nfs/dbraw/zinc/73/70/86/560737086.db2.gz WIBKLFKJPXKZQT-UHFFFAOYSA-N 0 0 402.863 3.820 40 5 HHBBRN CCC[C@@H](c1nnnn1C1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000057669475 568494410 /nfs/dbraw/zinc/49/44/10/568494410.db2.gz FXRXZLMQLAVMRC-FQEVSTJZSA-N 0 0 413.526 3.750 40 5 HHBBRN CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)c1 ZINC000225091751 568613776 /nfs/dbraw/zinc/61/37/76/568613776.db2.gz IQPXKPDMGBHPMK-UHFFFAOYSA-N 0 0 406.460 3.604 40 5 HHBBRN CCc1cccc(C)c1NC(=O)[C@@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222522840 568761724 /nfs/dbraw/zinc/76/17/24/568761724.db2.gz DUWJOAFXHBROSS-GOSISDBHSA-N 0 0 419.503 3.649 40 5 HHBBRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222637679 568766253 /nfs/dbraw/zinc/76/62/53/568766253.db2.gz NKAMRXADMLEZJO-GFCCVEGCSA-N 0 0 424.284 3.607 40 5 HHBBRN CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222734117 568771953 /nfs/dbraw/zinc/77/19/53/568771953.db2.gz LGYXRQRLXLPAFI-GFCCVEGCSA-N 0 0 424.284 3.607 40 5 HHBBRN Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000216034564 568813730 /nfs/dbraw/zinc/81/37/30/568813730.db2.gz BUBHLENINZNSLN-UHFFFAOYSA-N 0 0 414.443 3.904 40 5 HHBBRN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)cc1[N+](=O)[O-] ZINC000057316858 568826332 /nfs/dbraw/zinc/82/63/32/568826332.db2.gz HHGODKUBWUPVJT-UHFFFAOYSA-N 0 0 424.501 3.850 40 5 HHBBRN CC(C)C[C@H](c1nnnn1C1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000057669622 568857462 /nfs/dbraw/zinc/85/74/62/568857462.db2.gz KQCIHCOQUSQOTF-HXUWFJFHSA-N 0 0 413.526 3.606 40 5 HHBBRN O=C(COc1ccccc1Cl)NC(=S)Nc1c2cccnc2ccc1[N+](=O)[O-] ZINC000032111858 568915411 /nfs/dbraw/zinc/91/54/11/568915411.db2.gz QZHRQLHGECIVLX-UHFFFAOYSA-N 0 0 416.846 3.688 40 5 HHBBRN COc1cc(CNC(=O)CSCc2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000218048561 568924535 /nfs/dbraw/zinc/92/45/35/568924535.db2.gz ZAIZWZDFXNGLSA-UHFFFAOYSA-N 0 0 404.488 3.940 40 5 HHBBRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223517626 569023453 /nfs/dbraw/zinc/02/34/53/569023453.db2.gz ZTKPTVFJXLAETI-GOSISDBHSA-N 0 0 411.502 3.513 40 5 HHBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)o2)c1 ZINC000223637343 569030673 /nfs/dbraw/zinc/03/06/73/569030673.db2.gz KFNLUGQQQXLCFT-VQTJNVASSA-N 0 0 424.482 3.605 40 5 HHBBRN O=C(OCCCCCOC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000001609804 569031016 /nfs/dbraw/zinc/03/10/16/569031016.db2.gz UEFLOYJGIGTLEP-UHFFFAOYSA-N 0 0 402.359 3.687 40 5 HHBBRN Cc1c(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000223921715 569032560 /nfs/dbraw/zinc/03/25/60/569032560.db2.gz JDVHWNOGRFUPRZ-UHFFFAOYSA-N 0 0 411.439 3.956 40 5 HHBBRN O=[N+]([O-])c1ccc(NC(=S)NCC2(c3ccc(Cl)cc3)CCOCC2)nc1 ZINC000224015125 569034460 /nfs/dbraw/zinc/03/44/60/569034460.db2.gz QRJLREGTQBLKII-UHFFFAOYSA-N 0 0 406.895 3.678 40 5 HHBBRN Cc1c(NC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000001753071 569051862 /nfs/dbraw/zinc/05/18/62/569051862.db2.gz SQSOPXZLBLXAGB-UHFFFAOYSA-N 0 0 401.810 3.690 40 5 HHBBRN O=C(CCCC(=O)OCC(=O)Nc1cccc(Cl)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000138769975 569189357 /nfs/dbraw/zinc/18/93/57/569189357.db2.gz QOASBAPGOFHCDC-UHFFFAOYSA-N 0 0 419.821 3.539 40 5 HHBBRN Cc1nn2c(nc1=O)SC[C@H](Sc1ccc([N+](=O)[O-])cc1)[C@@H]2c1ccccc1 ZINC000016779244 569262841 /nfs/dbraw/zinc/26/28/41/569262841.db2.gz JWZNVQXINFVYIM-IRXDYDNUSA-N 0 0 412.496 3.711 40 5 HHBBRN Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000017093614 569273340 /nfs/dbraw/zinc/27/33/40/569273340.db2.gz SVJVGTOGJOSZPQ-UHFFFAOYSA-N 0 0 423.498 3.961 40 5 HHBBRN Cc1ccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1[N+](=O)[O-] ZINC000017091026 569274158 /nfs/dbraw/zinc/27/41/58/569274158.db2.gz MHAAMUPYDFPNLW-UHFFFAOYSA-N 0 0 417.428 3.548 40 5 HHBBRN CCN(CC)c1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000017089170 569274328 /nfs/dbraw/zinc/27/43/28/569274328.db2.gz BEIQKLWKXNIAIH-UHFFFAOYSA-N 0 0 412.490 3.838 40 5 HHBBRN O=C(Nc1nc2c(cccc2Cl)s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000017091674 569274511 /nfs/dbraw/zinc/27/45/11/569274511.db2.gz BEKXYINEBRWICE-UHFFFAOYSA-N 0 0 418.862 3.947 40 5 HHBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225056740 569324773 /nfs/dbraw/zinc/32/47/73/569324773.db2.gz VKLJUGHZFGNBSP-QZTJIDSGSA-N 0 0 411.502 3.778 40 5 HHBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225097147 569325381 /nfs/dbraw/zinc/32/53/81/569325381.db2.gz IOSAZNLXAWGWSQ-QZTJIDSGSA-N 0 0 411.502 3.778 40 5 HHBBRN COc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])o2)c1 ZINC000007939604 569338631 /nfs/dbraw/zinc/33/86/31/569338631.db2.gz QKDLOJDMBWSANJ-UHFFFAOYSA-N 0 0 400.416 3.693 40 5 HHBBRN COc1ccc(-c2nnc(SC(=O)Cc3ccc([N+](=O)[O-])cc3)o2)c(OC)c1 ZINC000007939520 569338671 /nfs/dbraw/zinc/33/86/71/569338671.db2.gz AYALKDNREXXVCM-UHFFFAOYSA-N 0 0 401.400 3.523 40 5 HHBBRN CC(C)OC(=O)c1ccc2nc(NC(=O)COc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000008903757 569390802 /nfs/dbraw/zinc/39/08/02/569390802.db2.gz GAZARZQCBDIDDB-UHFFFAOYSA-N 0 0 415.427 3.787 40 5 HHBBRN CCOc1cc(C=C2SC(=O)NC2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000113833583 569392921 /nfs/dbraw/zinc/39/29/21/569392921.db2.gz JOXALPMEAAOTHZ-LICLKQGHSA-N 0 0 400.412 3.896 40 5 HHBBRN CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225424216 569395655 /nfs/dbraw/zinc/39/56/55/569395655.db2.gz XARHXIPLPOBLGL-ROUUACIJSA-N 0 0 411.502 3.512 40 5 HHBBRN Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)o1 ZINC000019625019 569425947 /nfs/dbraw/zinc/42/59/47/569425947.db2.gz VMYFXAZFSDAFSE-JOCHJYFZSA-N 0 0 406.394 3.504 40 5 HHBBRN CCOC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000039759120 571134238 /nfs/dbraw/zinc/13/42/38/571134238.db2.gz XIAIUJVWVYBROD-UHFFFAOYSA-N 0 0 413.415 3.934 40 5 HHBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc2ccc(N3CCOCC3)cc2s1 ZINC000006422958 132310921 /nfs/dbraw/zinc/31/09/21/132310921.db2.gz RSODZQYDTSDDHU-QPJJXVBHSA-N 0 0 410.455 3.693 40 5 HHBBRN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCN(c2ccc(F)cc2)CC1 ZINC000008781162 132333407 /nfs/dbraw/zinc/33/34/07/132333407.db2.gz RAERLVRSZSHHQQ-UHFFFAOYSA-N 0 0 414.315 3.988 40 5 HHBBRN CCCCC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1OC ZINC000032115168 519915017 /nfs/dbraw/zinc/91/50/17/519915017.db2.gz CFEILSLENDLSCX-UHFFFAOYSA-N 0 0 416.390 3.893 40 5 HHBBRN CCCCCn1ccc2nc3ccn(Cc4ccc(OC)cc4)c(=O)c3cc2c1=O ZINC000040398787 520334504 /nfs/dbraw/zinc/33/45/04/520334504.db2.gz BBLZJOKULJNEBN-UHFFFAOYSA-N 0 0 403.482 3.959 40 5 HHBBRN CN(C)S(=O)(=O)c1ccc(Sc2ccccc2Br)c([N+](=O)[O-])c1 ZINC000021984042 521989576 /nfs/dbraw/zinc/98/95/76/521989576.db2.gz SCMIXPFRSWCHNT-UHFFFAOYSA-N 0 0 417.306 3.759 40 5 HHBBRN COc1ccc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1[N+](=O)[O-] ZINC000032126255 523742592 /nfs/dbraw/zinc/74/25/92/523742592.db2.gz UHRRAYVMJZCPFJ-UHFFFAOYSA-N 0 0 424.442 3.639 40 5 HHBBRN O=C(CNC(=O)c1ccccc1)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000032603982 526863670 /nfs/dbraw/zinc/86/36/70/526863670.db2.gz XSQSQXQHAAUSJH-UHFFFAOYSA-N 0 0 405.410 3.542 40 5 HHBBRN CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OCC ZINC000013669211 558853068 /nfs/dbraw/zinc/85/30/68/558853068.db2.gz KRQPPDUZSVMAMJ-CQSZACIVSA-N 0 0 408.476 3.740 40 5 HHBBRN CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OCC ZINC000013669212 558853083 /nfs/dbraw/zinc/85/30/83/558853083.db2.gz KRQPPDUZSVMAMJ-AWEZNQCLSA-N 0 0 408.476 3.740 40 5 HHBBRN COc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1[N+](=O)[O-] ZINC000205656042 558964935 /nfs/dbraw/zinc/96/49/35/558964935.db2.gz ZQQAFPMMUFVGIL-CXUHLZMHSA-N 0 0 415.383 3.748 40 5 HHBBRN CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220571418 559173772 /nfs/dbraw/zinc/17/37/72/559173772.db2.gz MLVHKGOXXWSQTD-SFHVURJKSA-N 0 0 419.503 3.703 40 5 HHBBRN COC(=O)c1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1 ZINC000408571061 559219297 /nfs/dbraw/zinc/21/92/97/559219297.db2.gz NDANDNJECIRFIM-SFHVURJKSA-N 0 0 412.471 3.781 40 5 HHBBRN Cc1ccc(C(=O)Nc2ccc(I)cc2F)cc1[N+](=O)[O-] ZINC000408620013 559221742 /nfs/dbraw/zinc/22/17/42/559221742.db2.gz GMOQMXSFSUSHMU-UHFFFAOYSA-N 0 0 400.147 3.899 40 5 HHBBRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000408620658 559221743 /nfs/dbraw/zinc/22/17/43/559221743.db2.gz IIIBAWCJVLQIRM-UHFFFAOYSA-N 0 0 405.410 3.794 40 5 HHBBRN Cc1cc(C(=O)Nc2ccc(I)cc2F)ccc1[N+](=O)[O-] ZINC000408623993 559221911 /nfs/dbraw/zinc/22/19/11/559221911.db2.gz WEOKZQSJXUIHEM-UHFFFAOYSA-N 0 0 400.147 3.899 40 5 HHBBRN Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000408624578 559221941 /nfs/dbraw/zinc/22/19/41/559221941.db2.gz VCAKUDWPXADXSW-UHFFFAOYSA-N 0 0 400.416 3.596 40 5 HHBBRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(F)(F)F)CC2=O)cc1[N+](=O)[O-] ZINC000408641215 559222982 /nfs/dbraw/zinc/22/29/82/559222982.db2.gz LEBBOONSIHBKCY-LBPRGKRZSA-N 0 0 407.348 3.914 40 5 HHBBRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408643236 559223085 /nfs/dbraw/zinc/22/30/85/559223085.db2.gz QRLAPOLLWVSUGK-GFCCVEGCSA-N 0 0 418.247 3.657 40 5 HHBBRN COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c1 ZINC000408646656 559223219 /nfs/dbraw/zinc/22/32/19/559223219.db2.gz UAECAMVKVZMSRH-LBPRGKRZSA-N 0 0 403.822 3.557 40 5 HHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2cc(C)ccc2C(C)C)CC1=O ZINC000408658547 559223806 /nfs/dbraw/zinc/22/38/06/559223806.db2.gz JPTOYPVBRBHSLJ-HNNXBMFYSA-N 0 0 412.442 3.994 40 5 HHBBRN COc1cccc(NC(=O)c2ccccc2N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000408673586 559224391 /nfs/dbraw/zinc/22/43/91/559224391.db2.gz TZXNOZDJBBGQAB-UHFFFAOYSA-N 0 0 417.377 3.656 40 5 HHBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)CCC1=O ZINC000408687444 559224677 /nfs/dbraw/zinc/22/46/77/559224677.db2.gz UJZANDXWZHIMPF-UHFFFAOYSA-N 0 0 422.224 3.608 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCSCc1cccc(Cl)c1 ZINC000408706168 559225026 /nfs/dbraw/zinc/22/50/26/559225026.db2.gz WPHVEVVZSRPBOL-UHFFFAOYSA-N 0 0 400.909 3.768 40 5 HHBBRN O=C(Oc1ccccc1/C=C1/N=C(c2ccco2)OC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408839383 559228628 /nfs/dbraw/zinc/22/86/28/559228628.db2.gz RLHLEDFFMVSUMO-FOWTUZBSSA-N 0 0 404.334 3.752 40 5 HHBBRN Cc1ccc(F)cc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C ZINC000409136428 559241729 /nfs/dbraw/zinc/24/17/29/559241729.db2.gz RFRWQRVAFJYYRV-UHFFFAOYSA-N 0 0 401.423 3.569 40 5 HHBBRN COC(=O)CC[C@]1([N+](=O)[O-])CCCN(C(=O)OC(C)(C)C)[C@@H]1c1ccc(F)cc1 ZINC000072390493 559275177 /nfs/dbraw/zinc/27/51/77/559275177.db2.gz FNRBYCFAKIUMOT-YLJYHZDGSA-N 0 0 410.442 3.866 40 5 HHBBRN COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000004129686 560599330 /nfs/dbraw/zinc/59/93/30/560599330.db2.gz VGRYBZAHSFECLB-NSHDSACASA-N 0 0 400.416 3.773 40 5 HHBBRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)cc1 ZINC000005544412 560607226 /nfs/dbraw/zinc/60/72/26/560607226.db2.gz IGTVEUKVEWXCRB-NFJKTXFASA-N 0 0 410.429 3.780 40 5 HHBBRN COCCN1C(=O)S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O ZINC000409141511 560683522 /nfs/dbraw/zinc/68/35/22/560683522.db2.gz IXAKQGDWAOIHBD-LDADJPATSA-N 0 0 414.439 3.857 40 5 HHBBRN COCCN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O ZINC000409144782 560684463 /nfs/dbraw/zinc/68/44/63/560684463.db2.gz PWNDPRAZGWEFJA-LDADJPATSA-N 0 0 414.439 3.857 40 5 HHBBRN Cc1cccc(OCc2nn(CC(=O)Nc3ccccc3[N+](=O)[O-])c(=S)o2)c1 ZINC000409161964 560685799 /nfs/dbraw/zinc/68/57/99/560685799.db2.gz XUHBCKPHQUCVGA-UHFFFAOYSA-N 0 0 400.416 3.640 40 5 HHBBRN O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])o2)C1=O)Nc1ccccc1Cl ZINC000409245253 560701244 /nfs/dbraw/zinc/70/12/44/560701244.db2.gz PTXLYLHMOQDYNN-KPKJPENVSA-N 0 0 407.791 3.516 40 5 HHBBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2cccs2)C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000102735664 560822397 /nfs/dbraw/zinc/82/23/97/560822397.db2.gz NHKZQPFXZRNZHB-QRVBRYPASA-N 0 0 421.434 3.707 40 5 HHBBRN Cc1cc(C)c(OCC(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000020410884 568605051 /nfs/dbraw/zinc/60/50/51/568605051.db2.gz MCLADARJOFEQTL-UHFFFAOYSA-N 0 0 419.865 3.719 40 5 HHBBRN CCN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225035945 568610233 /nfs/dbraw/zinc/61/02/33/568610233.db2.gz FTVWNQZABQBILS-UHFFFAOYSA-N 0 0 403.229 3.712 40 5 HHBBRN O=C(CSc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 ZINC000020611789 568636533 /nfs/dbraw/zinc/63/65/33/568636533.db2.gz XLURWCANVKFKCT-UHFFFAOYSA-N 0 0 407.879 3.816 40 5 HHBBRN CC[C@H](C(=O)Nc1ccccc1SC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222524178 568761742 /nfs/dbraw/zinc/76/17/42/568761742.db2.gz SFBVUISCIISBED-MRXNPFEDSA-N 0 0 423.516 3.500 40 5 HHBBRN CC[C@H](C(=O)Nc1ccc(C)c(C)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222531713 568762746 /nfs/dbraw/zinc/76/27/46/568762746.db2.gz JETHINWILVWZGR-GOSISDBHSA-N 0 0 419.503 3.703 40 5 HHBBRN Cc1nc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1Br ZINC000096957114 568765767 /nfs/dbraw/zinc/76/57/67/568765767.db2.gz UDGBAKSEVKZBEY-UHFFFAOYSA-N 0 0 405.252 3.913 40 5 HHBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)o1 ZINC000222762313 568771134 /nfs/dbraw/zinc/77/11/34/568771134.db2.gz PSXRWANUDOEMPP-RBUKOAKNSA-N 0 0 410.455 3.861 40 5 HHBBRN Cc1ccc(Sc2cc([N+](=O)[O-])cc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](O5)[C@H]4C3=O)c2)cc1 ZINC000002809533 568810952 /nfs/dbraw/zinc/81/09/52/568810952.db2.gz HTKORJTXUQQZNO-QGFMHUBQSA-N 0 0 410.451 3.721 40 5 HHBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222866873 568821711 /nfs/dbraw/zinc/82/17/11/568821711.db2.gz YMPXHIKMFPGRQJ-HNNXBMFYSA-N 0 0 415.465 3.608 40 5 HHBBRN CC(C)[C@@H](c1nnnn1C1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000057669500 568857422 /nfs/dbraw/zinc/85/74/22/568857422.db2.gz UTTNMCCTYZVVOH-FQEVSTJZSA-N 0 0 413.526 3.606 40 5 HHBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(F)cc1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 ZINC000001512734 569007624 /nfs/dbraw/zinc/00/76/24/569007624.db2.gz RKHULYNMYFJETC-ZRDDSIGQSA-N 0 0 414.392 3.611 40 5 HHBBRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000001514721 569007653 /nfs/dbraw/zinc/00/76/53/569007653.db2.gz JOFDQRGCZJQVFI-UHFFFAOYSA-N 0 0 404.378 3.887 40 5 HHBBRN COc1ccc(-c2csc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)n2)cc1OC ZINC000006334090 569044180 /nfs/dbraw/zinc/04/41/80/569044180.db2.gz CNBRYZYAEGYLIX-UHFFFAOYSA-N 0 0 415.427 3.996 40 5 HHBBRN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000006386301 569045544 /nfs/dbraw/zinc/04/55/44/569045544.db2.gz ZCPKXKZNWISRRM-UHFFFAOYSA-N 0 0 406.851 3.724 40 5 HHBBRN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000006386308 569045605 /nfs/dbraw/zinc/04/56/05/569045605.db2.gz YXCWLFANECHPIR-UHFFFAOYSA-N 0 0 406.851 3.724 40 5 HHBBRN O=C(CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1cccc2ccccc21 ZINC000138621344 569154569 /nfs/dbraw/zinc/15/45/69/569154569.db2.gz HOEVQJSGWQSEIT-UHFFFAOYSA-N 0 0 421.409 3.649 40 5 HHBBRN O=C(CCCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1 ZINC000138960111 569221528 /nfs/dbraw/zinc/22/15/28/569221528.db2.gz HBJVSXPHSBFXEF-UHFFFAOYSA-N 0 0 419.821 3.539 40 5 HHBBRN O=Cc1cn(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(Br)cc12 ZINC000017082319 569273094 /nfs/dbraw/zinc/27/30/94/569273094.db2.gz HAIHPOYSVFQWNE-UHFFFAOYSA-N 0 0 402.204 3.763 40 5 HHBBRN Cc1ccccc1OCc1nn(CC(=O)Nc2ccccc2[N+](=O)[O-])c(=S)o1 ZINC000008571619 569341844 /nfs/dbraw/zinc/34/18/44/569341844.db2.gz ZXUWZCTUAQRXDM-UHFFFAOYSA-N 0 0 400.416 3.640 40 5 HHBBRN Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000009903519 569342584 /nfs/dbraw/zinc/34/25/84/569342584.db2.gz UIPZOAHSEUXNEH-UHFFFAOYSA-N 0 0 411.439 3.956 40 5 HHBBRN S=C(Nc1cc2cccnc2c2ncccc12)N1CCN(c2ccccn2)CC1 ZINC000033759087 569351297 /nfs/dbraw/zinc/35/12/97/569351297.db2.gz VTMLRQNIELAGJI-UHFFFAOYSA-N 0 0 400.511 3.697 40 5 HHBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225213504 569375061 /nfs/dbraw/zinc/37/50/61/569375061.db2.gz MROWJVYVJRYFDT-JKSUJKDBSA-N 0 0 415.465 3.608 40 5 HHBBRN COc1cc2ccccc2cc1C(=O)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008902475 569390827 /nfs/dbraw/zinc/39/08/27/569390827.db2.gz KKEOWPATLGRXCA-UHFFFAOYSA-N 0 0 407.426 3.846 40 5 HHBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])ccc3Cl)C2=O)o1 ZINC000009260168 569392130 /nfs/dbraw/zinc/39/21/30/569392130.db2.gz FIPKQEZFOJZBKX-VGOFMYFVSA-N 0 0 422.802 3.864 40 5 HHBBRN O=C(C[C@@]1(O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1cccs1 ZINC000012377267 569400771 /nfs/dbraw/zinc/40/07/71/569400771.db2.gz QDPJYAYRFCCQLN-NRFANRHFSA-N 0 0 408.435 3.664 40 5 HHBBRN COC(=O)c1cc(C(=O)OCC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc([N+](=O)[O-])c1 ZINC000012621268 569402075 /nfs/dbraw/zinc/40/20/75/569402075.db2.gz UXZVPYZIYQWULY-VHSSKADRSA-N 0 0 421.446 3.542 40 5 HHBBRN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])o2)c1 ZINC000012674918 569402830 /nfs/dbraw/zinc/40/28/30/569402830.db2.gz RVMMIRRCDQYHOR-UHFFFAOYSA-N 0 0 414.443 3.904 40 5 HHBBRN Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)c1ccc(Cl)cc1 ZINC000013424593 569413859 /nfs/dbraw/zinc/41/38/59/569413859.db2.gz UUFUDTWJDMVKLW-UHFFFAOYSA-N 0 0 418.862 3.931 40 5 HHBBRN Cc1c(Nc2cc(-c3ccccc3)nc(N[C@H](CO)C(C)C)n2)cccc1[N+](=O)[O-] ZINC000329006293 571305586 /nfs/dbraw/zinc/30/55/86/571305586.db2.gz LCKKVCNTUMGXTM-LJQANCHMSA-N 0 0 407.474 4.533 40 5 HHBBRN CC(C)Oc1ccc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 ZINC000006345704 132310474 /nfs/dbraw/zinc/31/04/74/132310474.db2.gz PPHQXBKLRDFCSH-UHFFFAOYSA-N 0 0 403.866 3.998 40 5 HHBBRN COc1cccc(NC(=O)c2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)c1 ZINC000408673266 557669053 /nfs/dbraw/zinc/66/90/53/557669053.db2.gz QYHFNTHLIADEOJ-UHFFFAOYSA-N 0 0 417.377 3.656 40 5 HHBBRN CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000005859091 557677732 /nfs/dbraw/zinc/67/77/32/557677732.db2.gz NDKXYCVYJWXMLX-UHFFFAOYSA-N 0 0 400.460 3.769 40 5 HHBBRN O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408718254 557760655 /nfs/dbraw/zinc/76/06/55/557760655.db2.gz PPRONPXMYGWADN-UHFFFAOYSA-N 0 0 405.779 3.927 40 5 HHBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)nnc1-c1ccccc1 ZINC000004463573 558596439 /nfs/dbraw/zinc/59/64/39/558596439.db2.gz XXXVUIMIIDCHLC-UHFFFAOYSA-N 0 0 413.459 3.613 40 5 HHBBRN CCOc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)CC ZINC000013925606 558942084 /nfs/dbraw/zinc/94/20/84/558942084.db2.gz OTDRJYAZTSLYRL-WJDWOHSUSA-N 0 0 410.382 3.653 40 5 HHBBRN CCOc1ccc(-c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nn2)cc1 ZINC000408527954 559214990 /nfs/dbraw/zinc/21/49/90/559214990.db2.gz DLNKUIORYAQFLY-UHFFFAOYSA-N 0 0 410.342 3.578 40 5 HHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(C)c(Cl)c2)CC1=O ZINC000408646147 559223210 /nfs/dbraw/zinc/22/32/10/559223210.db2.gz VPXQWAQRIDKQJF-GFCCVEGCSA-N 0 0 403.822 3.557 40 5 HHBBRN Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408648498 559223338 /nfs/dbraw/zinc/22/33/38/559223338.db2.gz YKZKZIKWPVWREG-LBPRGKRZSA-N 0 0 407.348 3.914 40 5 HHBBRN O=C(CCCC(=O)OCC(=O)Nc1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000408662432 559223652 /nfs/dbraw/zinc/22/36/52/559223652.db2.gz IJPHVUDTDBYPLW-UHFFFAOYSA-N 0 0 419.821 3.539 40 5 HHBBRN CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3cc([N+](=O)[O-])ccc3F)C(=O)[C@@H]2C1 ZINC000408677659 559224127 /nfs/dbraw/zinc/22/41/27/559224127.db2.gz DWRYHWBAQMNRIT-GDBMZVCRSA-N 0 0 423.400 3.832 40 5 HHBBRN CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4cc([N+](=O)[O-])ccc4F)c3)C(=O)[C@H]2C1 ZINC000408681385 559224629 /nfs/dbraw/zinc/22/46/29/559224629.db2.gz JDOSQFMECMKSPJ-SJORKVTESA-N 0 0 423.400 3.832 40 5 HHBBRN Cc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(C)c1-c1ccc(F)cc1 ZINC000409204391 559244788 /nfs/dbraw/zinc/24/47/88/559244788.db2.gz GNMCQEJSMITUPE-ZZEZOPTASA-N 0 0 416.390 3.759 40 5 HHBBRN Cc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(C)c1-c1ccc(C)cc1 ZINC000409204047 559244795 /nfs/dbraw/zinc/24/47/95/559244795.db2.gz CBDBQTRNKZNFNY-VXPUYCOJSA-N 0 0 412.427 3.928 40 5 HHBBRN Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1[N+](=O)[O-] ZINC000409221426 559245724 /nfs/dbraw/zinc/24/57/24/559245724.db2.gz QBZWMOZHDVDCGG-LZYBPNLTSA-N 0 0 415.402 3.717 40 5 HHBBRN CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000409351428 559248387 /nfs/dbraw/zinc/24/83/87/559248387.db2.gz URASGWFADYIZDX-UHFFFAOYSA-N 0 0 414.443 3.850 40 5 HHBBRN CCOc1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000004950039 560617053 /nfs/dbraw/zinc/61/70/53/560617053.db2.gz BQMVVFOVWPQAMQ-UHFFFAOYSA-N 0 0 400.416 3.774 40 5 HHBBRN COCCNC(=S)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 ZINC000408975457 560660240 /nfs/dbraw/zinc/66/02/40/560660240.db2.gz KOMBVXNDBDWDDV-UHFFFAOYSA-N 0 0 414.494 3.812 40 5 HHBBRN O=C1S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1CCCc1ccccc1 ZINC000409139381 560683146 /nfs/dbraw/zinc/68/31/46/560683146.db2.gz ADEUEELJTMERQB-ZDLGFXPLSA-N 0 0 412.423 3.993 40 5 HHBBRN Cc1cccc(OCc2nn(CC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c(=S)o2)c1 ZINC000409153726 560685130 /nfs/dbraw/zinc/68/51/30/560685130.db2.gz MVMWVHFLXFVHAG-UHFFFAOYSA-N 0 0 414.443 3.948 40 5 HHBBRN Cc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C2([N+](=O)[O-])c4ccccc4C3c3ccccc32)c1 ZINC000005548105 560737999 /nfs/dbraw/zinc/73/79/99/560737999.db2.gz AONQYTHLUJEJMC-LQDNNDEMSA-N 0 0 410.429 3.780 40 5 HHBBRN Cc1ccccc1C(=O)N[C@@H](C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C ZINC000106380833 560743839 /nfs/dbraw/zinc/74/38/39/560743839.db2.gz FBJLIIFJLAFSJW-AWEZNQCLSA-N 0 0 411.487 3.815 40 5 HHBBRN CCOc1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000014042169 560838166 /nfs/dbraw/zinc/83/81/66/560838166.db2.gz XXNZLBYSKAQMQE-UHFFFAOYSA-N 0 0 424.276 3.883 40 5 HHBBRN C[C@@H]1N=C(c2ccc(I)cc2)[C@H]2[C@H](c3ccc([N+](=O)[O-])cc3)N21 ZINC000103151035 560839263 /nfs/dbraw/zinc/83/92/63/560839263.db2.gz PQXSWFOGRMAMAY-KZFZAXQGSA-N 0 0 419.222 3.774 40 5 HHBBRN CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000014409755 560845670 /nfs/dbraw/zinc/84/56/70/560845670.db2.gz CTLVKAFBCNNJEV-UHFFFAOYSA-N 0 0 413.459 3.613 40 5 HHBBRN O=[N+]([O-])c1cc(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c2)ccc1Cl ZINC000104155437 560848904 /nfs/dbraw/zinc/84/89/04/560848904.db2.gz ZIVZLVDTTQPAFL-UHFFFAOYSA-N 0 0 422.158 3.551 40 5 HHBBRN O=C(Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000104356565 560850785 /nfs/dbraw/zinc/85/07/85/560850785.db2.gz JEUBNYQWEDASBZ-UHFFFAOYSA-N 0 0 402.102 3.937 40 5 HHBBRN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O)Nc1ccccc1 ZINC000106710999 560893307 /nfs/dbraw/zinc/89/33/07/560893307.db2.gz YGILWKUOBJWPDR-DHDCSXOGSA-N 0 0 417.830 3.923 40 5 HHBBRN Cc1cccc(C)c1NC(=O)[C@H](NC(=O)c1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000000792637 568479488 /nfs/dbraw/zinc/47/94/88/568479488.db2.gz JYLVZVJZHBAPNU-HXUWFJFHSA-N 0 0 404.426 3.716 40 5 HHBBRN O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1ccccc1I ZINC000000829686 568497094 /nfs/dbraw/zinc/49/70/94/568497094.db2.gz DPCPIYKVMQDATD-NTEUORMPSA-N 0 0 420.162 3.544 40 5 HHBBRN Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000000867233 568713698 /nfs/dbraw/zinc/71/36/98/568713698.db2.gz TUJBRIPAOBTKPR-QGZVFWFLSA-N 0 0 416.890 3.988 40 5 HHBBRN CSc1cccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000222362668 568751162 /nfs/dbraw/zinc/75/11/62/568751162.db2.gz VBTHNEXWZTVXTM-UHFFFAOYSA-N 0 0 423.516 3.502 40 5 HHBBRN Cc1cc(OCC(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)ccc1[N+](=O)[O-] ZINC000022257180 568765644 /nfs/dbraw/zinc/76/56/44/568765644.db2.gz CUZBDAOWDGXCCU-UHFFFAOYSA-N 0 0 410.430 3.769 40 5 HHBBRN O=C1NC(=O)/C(=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)N1 ZINC000001102958 568770169 /nfs/dbraw/zinc/77/01/69/568770169.db2.gz QVGPSUJURXHSFD-VGOFMYFVSA-N 0 0 408.197 3.661 40 5 HHBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225721243 568779710 /nfs/dbraw/zinc/77/97/10/568779710.db2.gz ZTWQQMUCTYWQEE-HXUWFJFHSA-N 0 0 411.502 3.778 40 5 HHBBRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222902533 568823947 /nfs/dbraw/zinc/82/39/47/568823947.db2.gz MQWRZWYTEHXBFB-FQEVSTJZSA-N 0 0 411.502 3.512 40 5 HHBBRN Cc1cccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000003013184 568837882 /nfs/dbraw/zinc/83/78/82/568837882.db2.gz OKBTTWHQRZJTLG-UHFFFAOYSA-N 0 0 415.405 3.804 40 5 HHBBRN COc1cccc(Cn2c(Cc3ccccc3)nc3ccc([N+](=O)[O-])cc3c2=O)c1 ZINC000001223041 568838425 /nfs/dbraw/zinc/83/84/25/568838425.db2.gz HBSCAJCQVJXRBK-UHFFFAOYSA-N 0 0 401.422 3.952 40 5 HHBBRN CCCCNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003056115 568851593 /nfs/dbraw/zinc/85/15/93/568851593.db2.gz UFZYSPKQCLFDNH-AQTBWJFISA-N 0 0 401.850 3.935 40 5 HHBBRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222998810 568908767 /nfs/dbraw/zinc/90/87/67/568908767.db2.gz YXKBTVHILGHPQV-SFHVURJKSA-N 0 0 411.502 3.779 40 5 HHBBRN COc1ccc(CCCNC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000218050782 568924803 /nfs/dbraw/zinc/92/48/03/568924803.db2.gz CPCHTZGEORHUJL-UHFFFAOYSA-N 0 0 404.488 3.594 40 5 HHBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)cc1)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000001512732 569007638 /nfs/dbraw/zinc/00/76/38/569007638.db2.gz RKHULYNMYFJETC-ISQHLFTMSA-N 0 0 414.392 3.611 40 5 HHBBRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000016284389 569030405 /nfs/dbraw/zinc/03/04/05/569030405.db2.gz UGTHBRIJSNYHLC-UHFFFAOYSA-N 0 0 418.369 3.798 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000223596272 569030616 /nfs/dbraw/zinc/03/06/16/569030616.db2.gz CPKJLDGWHSKJJQ-UHFFFAOYSA-N 0 0 416.459 3.555 40 5 HHBBRN O=C(Nc1ccccc1N1CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000006269475 569035921 /nfs/dbraw/zinc/03/59/21/569035921.db2.gz RTHGTODWKDONMX-UHFFFAOYSA-N 0 0 410.474 3.674 40 5 HHBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224055430 569041829 /nfs/dbraw/zinc/04/18/29/569041829.db2.gz QWVNUDVVHFGSJO-OAHLLOKOSA-N 0 0 415.465 3.608 40 5 HHBBRN CC(C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224615731 569073777 /nfs/dbraw/zinc/07/37/77/569073777.db2.gz FTAVCNCTWCUCNM-HNNXBMFYSA-N 0 0 417.893 3.733 40 5 HHBBRN Cc1cccc(OCC(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1C ZINC000006968343 569190751 /nfs/dbraw/zinc/19/07/51/569190751.db2.gz LPPVOXSKUHUFQD-UHFFFAOYSA-N 0 0 403.866 3.593 40 5 HHBBRN Cc1nn2c(nc1=O)SC[C@@H](Sc1ccc([N+](=O)[O-])cc1)[C@@H]2c1ccccc1 ZINC000016779248 569262872 /nfs/dbraw/zinc/26/28/72/569262872.db2.gz JWZNVQXINFVYIM-SJORKVTESA-N 0 0 412.496 3.711 40 5 HHBBRN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000006386542 569331860 /nfs/dbraw/zinc/33/18/60/569331860.db2.gz WIYGZRDVTNMCCT-UHFFFAOYSA-N 0 0 400.460 3.850 40 5 HHBBRN Cc1ccccc1OCc1nn(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(=S)o1 ZINC000008571604 569341838 /nfs/dbraw/zinc/34/18/38/569341838.db2.gz PWPVWEUQNIYLCX-UHFFFAOYSA-N 0 0 400.416 3.640 40 5 HHBBRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000009903911 569342576 /nfs/dbraw/zinc/34/25/76/569342576.db2.gz SDEVZNKPZIPHKH-UHFFFAOYSA-N 0 0 411.439 3.956 40 5 HHBBRN Cc1cccc(C(=O)N[C@H](C)c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)c1 ZINC000033626874 569350741 /nfs/dbraw/zinc/35/07/41/569350741.db2.gz CEYZWBYWCVOQRR-CQSZACIVSA-N 0 0 411.487 3.815 40 5 HHBBRN Cc1ccccc1C(=O)N[C@H](C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C ZINC000106380838 569352603 /nfs/dbraw/zinc/35/26/03/569352603.db2.gz FBJLIIFJLAFSJW-CQSZACIVSA-N 0 0 411.487 3.815 40 5 HHBBRN C[C@H]1CC[C@@H]2C(=O)N(c3cccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3)C(=O)[C@@H]2C1 ZINC000017986653 569382171 /nfs/dbraw/zinc/38/21/71/569382171.db2.gz MXMQSSRBPPKJAF-FASAQXTFSA-N 0 0 408.410 3.740 40 5 HHBBRN O=[N+]([O-])c1ccc(-c2cn3c4ccc(OCCN5CCOCC5)cc4sc3n2)cc1 ZINC000066352023 569394539 /nfs/dbraw/zinc/39/45/39/569394539.db2.gz YGQURMQHUGDYAO-UHFFFAOYSA-N 0 0 424.482 3.835 40 5 HHBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225424108 569395689 /nfs/dbraw/zinc/39/56/89/569395689.db2.gz XARHXIPLPOBLGL-QZTJIDSGSA-N 0 0 411.502 3.512 40 5 HHBBRN O=[N+]([O-])c1cccc(CNc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)c1 ZINC000328995789 569423256 /nfs/dbraw/zinc/42/32/56/569423256.db2.gz JIEGEWUIOZZGJW-UHFFFAOYSA-N 0 0 404.474 3.647 40 5 HHBBRN COc1c2c(cc3oc4c(CCC(C)(C)O)ccc(O)c4c(=O)c31)O[C@@H]1OC=C[C@@H]21 ZINC000013374568 291252165 /nfs/dbraw/zinc/25/21/65/291252165.db2.gz MLCZRFXGJOUFHE-YTEVENLXSA-N 0 0 410.422 3.710 40 5 biogenic,in-vitro HHBBRN Cc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)cc1[N+](=O)[O-] ZINC000005897383 557679702 /nfs/dbraw/zinc/67/97/02/557679702.db2.gz PWXLYLUOCWXGKT-UHFFFAOYSA-N 0 0 400.460 3.625 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000010330834 557860615 /nfs/dbraw/zinc/86/06/15/557860615.db2.gz VCDBUQOAPSRDGP-UHFFFAOYSA-N 0 0 419.503 3.605 40 5 HHBBRN O=C1C[C@H](c2ccco2)Cc2nc3nc(SCc4cccc([N+](=O)[O-])c4)nn3cc21 ZINC000013634321 558848879 /nfs/dbraw/zinc/84/88/79/558848879.db2.gz OSVMKACHIKTYRB-CYBMUJFWSA-N 0 0 421.438 3.831 40 5 HHBBRN CCN1CCN(c2cc(NC(=O)c3ccc(C)cc3)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229093 559170085 /nfs/dbraw/zinc/17/00/85/559170085.db2.gz MSXCHNUJZZLRRM-UHFFFAOYSA-N 0 0 402.882 3.951 40 5 HHBBRN COc1cccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000004895836 559198062 /nfs/dbraw/zinc/19/80/62/559198062.db2.gz WTLVEKGFGCIXPX-UHFFFAOYSA-N 0 0 409.364 3.585 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccccc2F)n1C ZINC000004946956 559212955 /nfs/dbraw/zinc/21/29/55/559212955.db2.gz VNEOAPSULHHHTP-UHFFFAOYSA-N 0 0 401.423 3.569 40 5 HHBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OC)cc1 ZINC000408567788 559218212 /nfs/dbraw/zinc/21/82/12/559218212.db2.gz HJTQIGNAHBCXRE-GOSISDBHSA-N 0 0 400.460 3.703 40 5 HHBBRN COC(=O)c1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1 ZINC000408568162 559218292 /nfs/dbraw/zinc/21/82/92/559218292.db2.gz HUYNABHBPRHKDF-QGZVFWFLSA-N 0 0 416.434 3.612 40 5 HHBBRN O=c1c2ccccc2nc(Sc2ccc([N+](=O)[O-])c3nonc32)n1-c1ccccc1 ZINC000408608880 559221359 /nfs/dbraw/zinc/22/13/59/559221359.db2.gz XGPQYIMUCHUQST-UHFFFAOYSA-N 0 0 417.406 3.981 40 5 HHBBRN Cc1c(C(=O)Nc2ccc(I)cc2F)cccc1[N+](=O)[O-] ZINC000408623978 559221812 /nfs/dbraw/zinc/22/18/12/559221812.db2.gz WARRWUKGSXXJTN-UHFFFAOYSA-N 0 0 400.147 3.899 40 5 HHBBRN CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000408686153 559224663 /nfs/dbraw/zinc/22/46/63/559224663.db2.gz SCPPVUITDRHANX-WMZOPIPTSA-N 0 0 405.410 3.693 40 5 HHBBRN O=C(Nc1cccc(O)c1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 ZINC000005003472 559226560 /nfs/dbraw/zinc/22/65/60/559226560.db2.gz CHQNUFOZQNGWKH-MOSHPQCFSA-N 0 0 403.394 3.710 40 5 HHBBRN Cc1noc(/C=C/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)c1[N+](=O)[O-] ZINC000408996936 559237320 /nfs/dbraw/zinc/23/73/20/559237320.db2.gz KOTKJJKEUPJOLE-FNORWQNLSA-N 0 0 414.334 3.681 40 5 HHBBRN O=C1NC(=O)/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)N1 ZINC000409042298 559239252 /nfs/dbraw/zinc/23/92/52/559239252.db2.gz MEWFGMLLGJOGLD-VGOFMYFVSA-N 0 0 408.197 3.661 40 5 HHBBRN COCCN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C1=O ZINC000409129032 559241205 /nfs/dbraw/zinc/24/12/05/559241205.db2.gz QKERAACDCMEZIP-MHWRWJLKSA-N 0 0 404.400 3.546 40 5 HHBBRN Cc1ccc(OCc2nn(CC(=O)Nc3cc([N+](=O)[O-])ccc3C)c(=S)o2)cc1 ZINC000409156897 559242321 /nfs/dbraw/zinc/24/23/21/559242321.db2.gz PIHBDPJSSFDRJW-UHFFFAOYSA-N 0 0 414.443 3.948 40 5 HHBBRN O=C(Cn1ccsc1=NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000409195418 559244282 /nfs/dbraw/zinc/24/42/82/559244282.db2.gz IQKKBAOOAHHCMH-ZZEZOPTASA-N 0 0 401.831 3.735 40 5 HHBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)n2c(C)c(C(N)=O)c3ccccc32)o1 ZINC000226769204 559273960 /nfs/dbraw/zinc/27/39/60/559273960.db2.gz AYLVVZSKSIHTGZ-UHFFFAOYSA-N 0 0 419.393 3.914 40 5 HHBBRN O=C(NCCSCc1c(F)cccc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000409028837 560667627 /nfs/dbraw/zinc/66/76/27/560667627.db2.gz RHQXOSUHHBYHAR-UHFFFAOYSA-N 0 0 413.814 3.959 40 5 HHBBRN COc1cc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)c([N+](=O)[O-])cc1OC ZINC000409062271 560671821 /nfs/dbraw/zinc/67/18/21/560671821.db2.gz QZUZLPOTUKEDSF-MFOYZWKCSA-N 0 0 416.411 3.862 40 5 HHBBRN CCc1ccc(C2=NN(C(=O)c3cccc([N+](=O)[O-])c3)[C@](O)(C(F)(F)F)C2)cc1 ZINC000409107676 560678776 /nfs/dbraw/zinc/67/87/76/560678776.db2.gz SLQOKQPGGFLHSL-GOSISDBHSA-N 0 0 407.348 3.658 40 5 HHBBRN Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1Cl ZINC000005448607 560737777 /nfs/dbraw/zinc/73/77/77/560737777.db2.gz ZCODMYRZAJPANC-UHFFFAOYSA-N 0 0 403.851 3.775 40 5 HHBBRN Cc1c(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cccc1[N+](=O)[O-] ZINC000103718762 560844008 /nfs/dbraw/zinc/84/40/08/560844008.db2.gz BUDOKRKAVLOGPU-GFCCVEGCSA-N 0 0 407.348 3.914 40 5 HHBBRN CCC[C@H](c1nnnn1C1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000057669478 568494361 /nfs/dbraw/zinc/49/43/61/568494361.db2.gz FXRXZLMQLAVMRC-HXUWFJFHSA-N 0 0 413.526 3.750 40 5 HHBBRN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)c1 ZINC000020611889 568636467 /nfs/dbraw/zinc/63/64/67/568636467.db2.gz LRWLNBHQQAVQMI-UHFFFAOYSA-N 0 0 413.474 3.881 40 5 HHBBRN Cc1cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc(C)c1Cl ZINC000020611878 568636478 /nfs/dbraw/zinc/63/64/78/568636478.db2.gz IUXOTFXMRLOONC-UHFFFAOYSA-N 0 0 419.865 3.719 40 5 HHBBRN O=C(CSc1nc2cc(Br)ccc2[nH]1)Nc1cccc([N+](=O)[O-])c1 ZINC000020765376 568641724 /nfs/dbraw/zinc/64/17/24/568641724.db2.gz CJIHQJSNVAAKOX-UHFFFAOYSA-N 0 0 407.249 3.964 40 5 HHBBRN CC[C@@H](C(=O)Nc1c(C)cccc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222531362 568762740 /nfs/dbraw/zinc/76/27/40/568762740.db2.gz GKAZLNISSTUWMZ-KRWDZBQOSA-N 0 0 419.503 3.703 40 5 HHBBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc([N+](=O)[O-])c(OC)cc3OC)N21 ZINC000222649647 568766695 /nfs/dbraw/zinc/76/66/95/568766695.db2.gz QVZQQMKIKMUKGH-YXKWSERDSA-N 0 0 414.487 3.986 40 5 HHBBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc([N+](=O)[O-])c(OC)cc3OC)N21 ZINC000222649586 568766757 /nfs/dbraw/zinc/76/67/57/568766757.db2.gz QVZQQMKIKMUKGH-ZUSMLRIVSA-N 0 0 414.487 3.986 40 5 HHBBRN O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000003089531 568854552 /nfs/dbraw/zinc/85/45/52/568854552.db2.gz XEIPPBMRHTUUAA-YBEGLDIGSA-N 0 0 404.334 3.928 40 5 HHBBRN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1S(=O)(=O)N1CCCC1 ZINC000218509628 568879514 /nfs/dbraw/zinc/87/95/14/568879514.db2.gz HDYUYYHZXKHMMV-UHFFFAOYSA-N 0 0 423.878 3.593 40 5 HHBBRN Cc1c(C(=O)NCc2nc(-c3cccc(Br)c3)no2)cccc1[N+](=O)[O-] ZINC000217878261 568917097 /nfs/dbraw/zinc/91/70/97/568917097.db2.gz NIVNNZPYFDTIJT-UHFFFAOYSA-N 0 0 417.219 3.646 40 5 HHBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1nc(-c2ccccc2Cl)no1 ZINC000218053455 568924908 /nfs/dbraw/zinc/92/49/08/568924908.db2.gz RXDHZVFQUCGCPM-UHFFFAOYSA-N 0 0 418.862 3.848 40 5 HHBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000218053560 568924989 /nfs/dbraw/zinc/92/49/89/568924989.db2.gz PMHRCGGUYACKRZ-UHFFFAOYSA-N 0 0 418.862 3.848 40 5 HHBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000058951824 568934487 /nfs/dbraw/zinc/93/44/87/568934487.db2.gz CPENILUIQRHAJF-UHFFFAOYSA-N 0 0 415.402 3.787 40 5 HHBBRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000008291432 568987867 /nfs/dbraw/zinc/98/78/67/568987867.db2.gz INNAKDICGSECLE-UHFFFAOYSA-N 0 0 411.867 3.531 40 5 HHBBRN COc1cccc(OC)c1C(=O)NC(=S)Nc1cc(Cl)c([N+](=O)[O-])cc1C ZINC000008333968 568993132 /nfs/dbraw/zinc/99/31/32/568993132.db2.gz GIOPZBLNQJTHRE-UHFFFAOYSA-N 0 0 409.851 3.701 40 5 HHBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)o1 ZINC000223630923 569030680 /nfs/dbraw/zinc/03/06/80/569030680.db2.gz NWUUOSHTRUIZAE-UXHICEINSA-N 0 0 424.482 3.605 40 5 HHBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223722265 569031351 /nfs/dbraw/zinc/03/13/51/569031351.db2.gz HYZVRMJJGJITLL-QGZVFWFLSA-N 0 0 409.486 3.613 40 5 HHBBRN Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](C)C(=O)NC1CCCC1 ZINC000223759812 569031456 /nfs/dbraw/zinc/03/14/56/569031456.db2.gz GEELWTFWUVWBID-SFHVURJKSA-N 0 0 423.513 3.922 40 5 HHBBRN Cc1ccccc1OCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000016363000 569032265 /nfs/dbraw/zinc/03/22/65/569032265.db2.gz PAKYMJJBLZAKJY-UHFFFAOYSA-N 0 0 423.391 3.650 40 5 HHBBRN Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224178251 569053453 /nfs/dbraw/zinc/05/34/53/569053453.db2.gz ZHKWIGOWBAUGLJ-GOSISDBHSA-N 0 0 411.502 3.635 40 5 HHBBRN O=[N+]([O-])c1ccc(S(=O)(=O)c2cnc(NC(=S)Nc3ccccc3)s2)cc1 ZINC000016490071 569056045 /nfs/dbraw/zinc/05/60/45/569056045.db2.gz KKEMGLWNBUDNBS-UHFFFAOYSA-N 0 0 420.497 3.693 40 5 HHBBRN Cc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nn12 ZINC000006478257 569058152 /nfs/dbraw/zinc/05/81/52/569058152.db2.gz HOXNXWKARGSWSL-UHFFFAOYSA-N 0 0 408.443 3.939 40 5 HHBBRN COc1ccc2c3nc(C(=O)NC4CC4)cc4c5ccccc5n(c43)c(=O)c2c1OC ZINC000006624442 569061111 /nfs/dbraw/zinc/06/11/11/569061111.db2.gz ZQASODURFLGRSH-UHFFFAOYSA-N 0 0 413.433 3.501 40 5 biogenic HHBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)NCC1(c2ccccc2)CCOCC1 ZINC000224493910 569063099 /nfs/dbraw/zinc/06/30/99/569063099.db2.gz XKORXKHXKZUKBZ-UHFFFAOYSA-N 0 0 400.500 3.693 40 5 HHBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224519343 569070014 /nfs/dbraw/zinc/07/00/14/569070014.db2.gz ZOGXIWKJNBGVMR-HXUWFJFHSA-N 0 0 411.502 3.717 40 5 HHBBRN Cc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)[NH+]3C[C@@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000036046384 569081493 /nfs/dbraw/zinc/08/14/93/569081493.db2.gz LYWWNMYPMMYEHO-MQIPJXDCSA-N 0 0 401.492 3.780 40 5 HHBBRN O=C(CCCC(=O)OCC(=O)Nc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000138787806 569190818 /nfs/dbraw/zinc/19/08/18/569190818.db2.gz NHEQYHAMNHUGOB-UHFFFAOYSA-N 0 0 419.821 3.539 40 5 HHBBRN CN1C[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 ZINC000036543631 569198113 /nfs/dbraw/zinc/19/81/13/569198113.db2.gz ZXABMUGOSSOPLJ-LERMDLETSA-N 0 0 417.421 3.564 40 5 HHBBRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2C)c(F)c1F ZINC000017091000 569274317 /nfs/dbraw/zinc/27/43/17/569274317.db2.gz LNWAWHYBCZYRAG-UHFFFAOYSA-N 0 0 417.340 3.595 40 5 HHBBRN O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1cccc(OCc2ccccc2)c1 ZINC000017093035 569274478 /nfs/dbraw/zinc/27/44/78/569274478.db2.gz MEMZDINTLHCRRZ-UHFFFAOYSA-N 0 0 422.466 3.805 40 5 HHBBRN COc1ccc(NC(=S)NC(=O)c2cc3ccccc3cc2OC)cc1[N+](=O)[O-] ZINC000017088851 569274536 /nfs/dbraw/zinc/27/45/36/569274536.db2.gz JDQGZJBZSOUULY-UHFFFAOYSA-N 0 0 411.439 3.892 40 5 HHBBRN COc1ccc(Br)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000224730701 569286317 /nfs/dbraw/zinc/28/63/17/569286317.db2.gz XNYWQYVCZKGHIE-UHFFFAOYSA-N 0 0 421.656 3.820 40 5 HHBBRN COc1ccc(OCc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000007610245 569337973 /nfs/dbraw/zinc/33/79/73/569337973.db2.gz VKDBITPXKRCCKW-UHFFFAOYSA-N 0 0 401.400 3.540 40 5 HHBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 ZINC000008475231 569341264 /nfs/dbraw/zinc/34/12/64/569341264.db2.gz KNCSAPXQFIIWFU-HHXXYDBFSA-N 0 0 421.453 3.573 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1c(C)cccc1C(C)C)S(C)(=O)=O ZINC000010335057 569343896 /nfs/dbraw/zinc/34/38/96/569343896.db2.gz XUJMDSYRDIZHMX-UHFFFAOYSA-N 0 0 419.503 3.740 40 5 HHBBRN CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000033606066 569350732 /nfs/dbraw/zinc/35/07/32/569350732.db2.gz KFYCDCFVPCNVCA-UHFFFAOYSA-N 0 0 424.438 3.940 40 5 HHBBRN Cc1ccc(C)c(OCc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2C)c1 ZINC000033793001 569351416 /nfs/dbraw/zinc/35/14/16/569351416.db2.gz BTTXVZKRXDMGNI-UHFFFAOYSA-N 0 0 412.471 3.894 40 5 HHBBRN O=C(Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000036801032 569351711 /nfs/dbraw/zinc/35/17/11/569351711.db2.gz WXKYZYPGBAPECI-UHFFFAOYSA-N 0 0 419.393 3.506 40 5 HHBBRN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1[N+](=O)[O-] ZINC000225147462 569364356 /nfs/dbraw/zinc/36/43/56/569364356.db2.gz OLSPDLBSUCKSET-UHFFFAOYSA-N 0 0 407.473 3.661 40 5 HHBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225213463 569375057 /nfs/dbraw/zinc/37/50/57/569375057.db2.gz MROWJVYVJRYFDT-HZPDHXFCSA-N 0 0 415.465 3.608 40 5 HHBBRN CCCCc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000009232289 569391954 /nfs/dbraw/zinc/39/19/54/569391954.db2.gz ADFSEHVJEWHGGU-GOSISDBHSA-N 0 0 424.453 3.716 40 5 HHBBRN CCCCc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000009232294 569392023 /nfs/dbraw/zinc/39/20/23/569392023.db2.gz ADFSEHVJEWHGGU-SFHVURJKSA-N 0 0 424.453 3.716 40 5 HHBBRN CC(C)[C@@H](CO)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)n1 ZINC000328990384 571305877 /nfs/dbraw/zinc/30/58/77/571305877.db2.gz IOULKPYWFLRSQT-HXUWFJFHSA-N 0 0 407.474 4.093 40 5 HHBBRN COc1ccccc1OCc1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000019927423 524687459 /nfs/dbraw/zinc/68/74/59/524687459.db2.gz YXGGAGYVCLZXBC-UHFFFAOYSA-N 0 0 401.400 3.540 40 5 HHBBRN Cc1cc(I)cnc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000032125383 525013268 /nfs/dbraw/zinc/01/32/68/525013268.db2.gz VZKQBXIMZNKXBV-UHFFFAOYSA-N 0 0 417.590 3.809 40 5 HHBBRN Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000008767866 525579788 /nfs/dbraw/zinc/57/97/88/525579788.db2.gz SXXXAEZQOAGDMI-UHFFFAOYSA-N 0 0 415.793 3.962 40 5 HHBBRN Cc1ccc(Sc2cc([N+](=O)[O-])cc(N3C(=O)[C@H]4[C@H]5CC[C@H](O5)[C@@H]4C3=O)c2)cc1 ZINC000013960239 559032186 /nfs/dbraw/zinc/03/21/86/559032186.db2.gz HTKORJTXUQQZNO-RDGPPVDQSA-N 0 0 410.451 3.721 40 5 HHBBRN O=C(COc1ccccc1[N+](=O)[O-])Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000014376663 559165258 /nfs/dbraw/zinc/16/52/58/559165258.db2.gz MEENORCCPLHCKN-UHFFFAOYSA-N 0 0 400.372 3.644 40 5 HHBBRN CCOC(=O)c1cc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)n(-c2ccccc2)n1 ZINC000408529631 559214929 /nfs/dbraw/zinc/21/49/29/559214929.db2.gz NCYPUCAEAQLSPK-UHFFFAOYSA-N 0 0 415.789 3.830 40 5 HHBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OC)cc1 ZINC000408567789 559218559 /nfs/dbraw/zinc/21/85/59/559218559.db2.gz HJTQIGNAHBCXRE-SFHVURJKSA-N 0 0 400.460 3.703 40 5 HHBBRN COc1cc(OC)cc(-c2nc(Sc3ccc([N+](=O)[O-])cc3C(C)=O)n[nH]2)c1 ZINC000408581604 559220101 /nfs/dbraw/zinc/22/01/01/559220101.db2.gz JLVIXDOMIRBVEL-UHFFFAOYSA-N 0 0 400.416 3.751 40 5 HHBBRN Cc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408638076 559222672 /nfs/dbraw/zinc/22/26/72/559222672.db2.gz BARCKOTZMAXBGC-LBPRGKRZSA-N 0 0 418.247 3.657 40 5 HHBBRN CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4cc([N+](=O)[O-])ccc4F)cc3)C(=O)[C@H]2C1 ZINC000408679936 559224133 /nfs/dbraw/zinc/22/41/33/559224133.db2.gz HJZQFVBXYPMWSB-SJORKVTESA-N 0 0 423.400 3.832 40 5 HHBBRN CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4cc([N+](=O)[O-])ccc4F)c3)C(=O)[C@@H]2C1 ZINC000408681382 559224651 /nfs/dbraw/zinc/22/46/51/559224651.db2.gz JDOSQFMECMKSPJ-DLBZAZTESA-N 0 0 423.400 3.832 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCSCc1ccccc1Cl ZINC000408703208 559225317 /nfs/dbraw/zinc/22/53/17/559225317.db2.gz OPCRDQNMKACAQE-UHFFFAOYSA-N 0 0 400.909 3.768 40 5 HHBBRN COC(=O)/C(=C\c1ccccc1[N+](=O)[O-])c1cc2c(cc1Br)OCO2 ZINC000005082334 559242498 /nfs/dbraw/zinc/24/24/98/559242498.db2.gz VWDKDQFKYJAQOH-SDQBBNPISA-N 0 0 406.188 3.800 40 5 HHBBRN COC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C)c(C)cc3[N+](=O)[O-])o2)C1=O ZINC000409169852 559243311 /nfs/dbraw/zinc/24/33/11/559243311.db2.gz SGESYJAJXOHQJZ-PXNMLYILSA-N 0 0 416.411 3.681 40 5 HHBBRN Cc1cc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)cc(C)c1Br ZINC000008433633 560542326 /nfs/dbraw/zinc/54/23/26/560542326.db2.gz SBRKHGYUIBPUBY-UHFFFAOYSA-N 0 0 407.220 3.770 40 5 HHBBRN Cc1cc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)c(C)cc1Br ZINC000008433632 560542382 /nfs/dbraw/zinc/54/23/82/560542382.db2.gz YMCRDDXVQMBKIA-UHFFFAOYSA-N 0 0 407.220 3.770 40 5 HHBBRN Cc1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2([N+](=O)[O-])c4ccccc4C3c3ccccc32)c1 ZINC000005548107 560607188 /nfs/dbraw/zinc/60/71/88/560607188.db2.gz AONQYTHLUJEJMC-YCIYHOANSA-N 0 0 410.429 3.780 40 5 HHBBRN O=C(Cn1ccsc1=NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000409194779 560690124 /nfs/dbraw/zinc/69/01/24/560690124.db2.gz MFBMMLMXVUBTJD-ZZEZOPTASA-N 0 0 401.831 3.735 40 5 HHBBRN CCN1C(=O)S/C(=C/c2ccc(Oc3ncccc3[N+](=O)[O-])c(OC)c2)C1=O ZINC000409355653 560714491 /nfs/dbraw/zinc/71/44/91/560714491.db2.gz DIKUOKQRVXHXQQ-GDNBJRDFSA-N 0 0 401.400 3.847 40 5 HHBBRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000409412309 560722869 /nfs/dbraw/zinc/72/28/69/560722869.db2.gz HVYZFPPZJXCUKB-UHFFFAOYSA-N 0 0 414.157 3.605 40 5 HHBBRN CCOC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O ZINC000106742573 560893702 /nfs/dbraw/zinc/89/37/02/560893702.db2.gz HRPRUYPDDFNJOC-WCIBSUBMSA-N 0 0 405.215 3.501 40 5 HHBBRN O=C(c1cccc(Cl)c1)N1NC(C(F)(F)F)=C[C@]1(O)c1ccc([N+](=O)[O-])cc1 ZINC000020437112 568606693 /nfs/dbraw/zinc/60/66/93/568606693.db2.gz CJWPMHUUVDKZEH-INIZCTEOSA-N 0 0 413.739 3.858 40 5 HHBBRN CCc1ccc(-n2nc3ccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3n2)cc1 ZINC000020610215 568636492 /nfs/dbraw/zinc/63/64/92/568636492.db2.gz YBDLPEXHYWQPGO-UHFFFAOYSA-N 0 0 417.425 3.909 40 5 HHBBRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)c1 ZINC000000851580 568711900 /nfs/dbraw/zinc/71/19/00/568711900.db2.gz VLJNMQCYOWASTJ-UHFFFAOYSA-N 0 0 411.439 3.956 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1c(C)cccc1C)S(C)(=O)=O ZINC000222371866 568752581 /nfs/dbraw/zinc/75/25/81/568752581.db2.gz GTVMSSSLXIOOMW-UHFFFAOYSA-N 0 0 419.503 3.705 40 5 HHBBRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222415563 568758471 /nfs/dbraw/zinc/75/84/71/568758471.db2.gz ZKNBWNBWDUJPGH-HXUWFJFHSA-N 0 0 411.502 3.778 40 5 HHBBRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222734177 568771996 /nfs/dbraw/zinc/77/19/96/568771996.db2.gz LGYXRQRLXLPAFI-LBPRGKRZSA-N 0 0 424.284 3.607 40 5 HHBBRN Cc1ccc(S(=O)(=O)c2c(Cl)sc(=O)n2Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000057291967 568825911 /nfs/dbraw/zinc/82/59/11/568825911.db2.gz ZCNFAQRVOQAIMU-UHFFFAOYSA-N 0 0 424.887 3.661 40 5 HHBBRN CC(=O)N1CCc2cc(-c3csc(NC(=O)c4ccc([N+](=O)[O-])cc4)n3)ccc21 ZINC000001365605 568916977 /nfs/dbraw/zinc/91/69/77/568916977.db2.gz UEXBXUBEWAOWDC-UHFFFAOYSA-N 0 0 408.439 3.880 40 5 HHBBRN CCOC(=O)N1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 ZINC000008040538 568938123 /nfs/dbraw/zinc/93/81/23/568938123.db2.gz SMAWUNAIOPCVAT-UHFFFAOYSA-N 0 0 415.471 3.660 40 5 HHBBRN C[C@H]1N=C(c2ccc(I)cc2)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)N21 ZINC000015931884 569022934 /nfs/dbraw/zinc/02/29/34/569022934.db2.gz PQXSWFOGRMAMAY-JYLBCENBSA-N 0 0 419.222 3.774 40 5 HHBBRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223781694 569031648 /nfs/dbraw/zinc/03/16/48/569031648.db2.gz SITPQSVJZSQLDT-HNNXBMFYSA-N 0 0 417.893 3.734 40 5 HHBBRN O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1 ZINC000006344072 569043684 /nfs/dbraw/zinc/04/36/84/569043684.db2.gz IMVNPPOXPLEPTR-UHFFFAOYSA-N 0 0 406.467 3.745 40 5 HHBBRN Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1[N+](=O)[O-] ZINC000036700312 569220974 /nfs/dbraw/zinc/22/09/74/569220974.db2.gz PNMABNIAOWCVGY-LBPRGKRZSA-N 0 0 418.247 3.657 40 5 HHBBRN CC(=O)n1c(-c2ccccc2)nc2c1SC(c1ccc([N+](=O)[O-])cc1)=NN2C(C)=O ZINC000016777537 569262797 /nfs/dbraw/zinc/26/27/97/569262797.db2.gz GHOYBTWGHJWVHQ-UHFFFAOYSA-N 0 0 421.438 3.939 40 5 HHBBRN Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1[N+](=O)[O-] ZINC000017088107 569274292 /nfs/dbraw/zinc/27/42/92/569274292.db2.gz HZVOPMQRNMCNRC-UHFFFAOYSA-N 0 0 408.823 3.900 40 5 HHBBRN CCN(c1ccc(Br)cc1F)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225010753 569323430 /nfs/dbraw/zinc/32/34/30/569323430.db2.gz OTZOBQMGNXSFBI-UHFFFAOYSA-N 0 0 403.229 3.712 40 5 HHBBRN CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C ZINC000225091269 569325317 /nfs/dbraw/zinc/32/53/17/569325317.db2.gz PGVSKUUOWOTAJA-UHFFFAOYSA-N 0 0 406.460 3.604 40 5 HHBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225104730 569325965 /nfs/dbraw/zinc/32/59/65/569325965.db2.gz BHIADVZFYNSSTD-HXUWFJFHSA-N 0 0 411.502 3.779 40 5 HHBBRN COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)n2c(C)ccc2C)cc1 ZINC000008475576 569341318 /nfs/dbraw/zinc/34/13/18/569341318.db2.gz LQPHGDGVNRMNKO-UHFFFAOYSA-N 0 0 407.426 3.683 40 5 HHBBRN O=[N+]([O-])c1cccc(S(=O)(=O)NCCSCc2c(F)cccc2Cl)c1 ZINC000033733888 569351179 /nfs/dbraw/zinc/35/11/79/569351179.db2.gz FJHCJTSCXZWJNM-UHFFFAOYSA-N 0 0 404.872 3.599 40 5 HHBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225213575 569375042 /nfs/dbraw/zinc/37/50/42/569375042.db2.gz MROWJVYVJRYFDT-HOTGVXAUSA-N 0 0 415.465 3.608 40 5 HHBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O ZINC000009699887 569393929 /nfs/dbraw/zinc/39/39/29/569393929.db2.gz AKYLVHIBLFGQJW-UHFFFAOYSA-N 0 0 420.352 3.892 40 5 HHBBRN Cc1ccc(-n2ncc3c2ncnc3SCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000012643168 569402283 /nfs/dbraw/zinc/40/22/83/569402283.db2.gz KWKZMVWJXHXMLD-UHFFFAOYSA-N 0 0 420.454 3.763 40 5 HHBBRN COc1cc(OC)c([N+](=O)[O-])cc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 ZINC000260753061 569409609 /nfs/dbraw/zinc/40/96/09/569409609.db2.gz BBEXCTUEDSFGBB-HWOJHCLVSA-N 0 0 400.460 3.596 40 5 HHBBRN Cc1ccc(-c2cc(-c3nnc4n3N=C(c3ccc([N+](=O)[O-])cc3)CS4)[nH]n2)cc1 ZINC000070503682 569410617 /nfs/dbraw/zinc/41/06/17/569410617.db2.gz BTCCMWJTKUVNQH-UHFFFAOYSA-N 0 0 417.454 3.910 40 5 HHBBRN O=[N+]([O-])c1cc(Nc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)ccc1F ZINC000328981251 569422989 /nfs/dbraw/zinc/42/29/89/569422989.db2.gz GTQHBJUUJWSTSE-UHFFFAOYSA-N 0 0 408.437 3.918 40 5 HHBBRN O=[N+]([O-])c1cc(F)ccc1Nc1cc(-c2ccncc2)nc(NC2CCCCC2)n1 ZINC000328995251 569423310 /nfs/dbraw/zinc/42/33/10/569423310.db2.gz JHSJTUWGHDZNAR-UHFFFAOYSA-N 0 0 408.437 3.918 40 5 HHBBRN CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000039759491 571134235 /nfs/dbraw/zinc/13/42/35/571134235.db2.gz RDOIWWKGSLWSHT-UHFFFAOYSA-N 0 0 409.402 3.882 40 5 HHBBRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(-c2ccccc2)n1 ZINC000328986963 571305905 /nfs/dbraw/zinc/30/59/05/571305905.db2.gz HZLVTRUJYOSTGF-GOSISDBHSA-N 0 0 411.437 4.363 40 5 HHBBRN CCOC(=O)C1CCN(C(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)CC1 ZINC000038198496 966477693 /nfs/dbraw/zinc/47/76/93/966477693.db2.gz DNAMRBPHVLKPPZ-UHFFFAOYSA-N 0 0 402.454 3.680 40 5 HHBBRN COc1cc2ccccc2cc1C(=O)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 ZINC000020611801 132470333 /nfs/dbraw/zinc/47/03/33/132470333.db2.gz ZZEYGJMKMYLTKS-UHFFFAOYSA-N 0 0 407.426 3.846 40 5 HHBBRN O=c1c2cc3c(ccn(Cc4cccc(F)c4)c3=O)nc2ccn1Cc1ccccc1 ZINC000040398772 527463310 /nfs/dbraw/zinc/46/33/10/527463310.db2.gz QCIJYRWWFIPDJP-UHFFFAOYSA-N 0 0 411.436 3.947 40 5 HHBBRN C[C@@H]1N=C(c2ccc(I)cc2)[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)N21 ZINC000229936985 558458724 /nfs/dbraw/zinc/45/87/24/558458724.db2.gz PQXSWFOGRMAMAY-HUUDAZCASA-N 0 0 419.222 3.774 40 5 HHBBRN CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC000004594969 558829152 /nfs/dbraw/zinc/82/91/52/558829152.db2.gz BUKMOWJJZYYTSZ-UHFFFAOYSA-N 0 0 413.459 3.613 40 5 HHBBRN O=C1OC(c2ccc(Br)cc2)=N/C1=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000205633186 558834225 /nfs/dbraw/zinc/83/42/25/558834225.db2.gz ZFWNAJOTWKQLSI-NTUHNPAUSA-N 0 0 418.159 3.610 40 5 HHBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000408576730 559218922 /nfs/dbraw/zinc/21/89/22/559218922.db2.gz YFIDRNYYCAVOPK-KRWDZBQOSA-N 0 0 415.431 3.603 40 5 HHBBRN COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)n1C ZINC000004977118 559220204 /nfs/dbraw/zinc/22/02/04/559220204.db2.gz JOZXQFQAQOTXOP-GFCCVEGCSA-N 0 0 413.459 3.518 40 5 HHBBRN O=C(CCC(=O)OCC(=O)Nc1cccc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000408662572 559223545 /nfs/dbraw/zinc/22/35/45/559223545.db2.gz KDHWFNUELFTUSE-UHFFFAOYSA-N 0 0 421.409 3.649 40 5 HHBBRN CCc1ccc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000409108169 559240761 /nfs/dbraw/zinc/24/07/61/559240761.db2.gz VJEIHQONSHMJTH-SFHVURJKSA-N 0 0 407.348 3.658 40 5 HHBBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccccc1 ZINC000100711675 559259328 /nfs/dbraw/zinc/25/93/28/559259328.db2.gz FKTXAJQBICUBOF-HBMCJLEFSA-N 0 0 415.405 3.646 40 5 HHBBRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000005184703 559289536 /nfs/dbraw/zinc/28/95/36/559289536.db2.gz NRSXNTPPOCOIFI-UHFFFAOYSA-N 0 0 411.439 3.956 40 5 HHBBRN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000001349267 560576616 /nfs/dbraw/zinc/57/66/16/560576616.db2.gz RQXXYCIAYQBRPD-UHFFFAOYSA-N 0 0 412.446 3.820 40 5 HHBBRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000004716823 560610948 /nfs/dbraw/zinc/61/09/48/560610948.db2.gz AFTZVMNBTQGQMZ-UHFFFAOYSA-N 0 0 411.439 3.956 40 5 HHBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1c1ccccc1 ZINC000408903532 560652463 /nfs/dbraw/zinc/65/24/63/560652463.db2.gz ZHAGFGBLLMNSOW-AQTBWJFISA-N 0 0 411.439 3.672 40 5 HHBBRN COc1ccc(-c2ccc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409201789 560693161 /nfs/dbraw/zinc/69/31/61/560693161.db2.gz PWHGSHMOHGCYLT-WOJGMQOQSA-N 0 0 419.393 3.956 40 5 HHBBRN CCC1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@](O)(c2ccc(Br)cc2)C1 ZINC000000799707 568478609 /nfs/dbraw/zinc/47/86/09/568478609.db2.gz NNPOFVBMKCHAKU-GOSISDBHSA-N 0 0 418.247 3.815 40 5 HHBBRN COc1ccc(Cl)cc1-c1nc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000019929198 568585675 /nfs/dbraw/zinc/58/56/75/568585675.db2.gz ZXVBWTQVWOFGKV-UHFFFAOYSA-N 0 0 419.850 3.773 40 5 HHBBRN Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Br)c2)cc1[N+](=O)[O-] ZINC000020611552 568636482 /nfs/dbraw/zinc/63/64/82/568636482.db2.gz XNJYIPHXZSFXKK-UHFFFAOYSA-N 0 0 420.263 3.755 40 5 HHBBRN CCCc1nnc2sc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nn12 ZINC000020609663 568636521 /nfs/dbraw/zinc/63/65/21/568636521.db2.gz OWOPOLXYXHDLAX-UHFFFAOYSA-N 0 0 408.443 3.966 40 5 HHBBRN CC(C)N1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O ZINC000095909132 568657734 /nfs/dbraw/zinc/65/77/34/568657734.db2.gz NOMVSDQTOAIXOV-KSZLIROESA-N 0 0 415.833 3.503 40 5 HHBBRN CC[C@@H](C(=O)Nc1cccc(SC)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222521291 568761802 /nfs/dbraw/zinc/76/18/02/568761802.db2.gz YESMFRGVPSQEPH-KRWDZBQOSA-N 0 0 423.516 3.500 40 5 HHBBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc([N+](=O)[O-])c(OC)cc3OC)N21 ZINC000222649697 568766674 /nfs/dbraw/zinc/76/66/74/568766674.db2.gz QVZQQMKIKMUKGH-QQGDVQBRSA-N 0 0 414.487 3.986 40 5 HHBBRN Cc1c(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cccc1[N+](=O)[O-] ZINC000225708895 568779317 /nfs/dbraw/zinc/77/93/17/568779317.db2.gz OCWKGZGYSGUMQC-UHFFFAOYSA-N 0 0 407.473 3.661 40 5 HHBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222866926 568821633 /nfs/dbraw/zinc/82/16/33/568821633.db2.gz YMPXHIKMFPGRQJ-OAHLLOKOSA-N 0 0 415.465 3.608 40 5 HHBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(OC)cc1 ZINC000005853523 568825855 /nfs/dbraw/zinc/82/58/55/568825855.db2.gz CEAPOXFWCQMRME-UHFFFAOYSA-N 0 0 413.459 3.613 40 5 HHBBRN CC[C@@H](C)NC(=O)[C@@H]1C[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000058161745 568894203 /nfs/dbraw/zinc/89/42/03/568894203.db2.gz VEKGSQZLJLIFBP-GQIGUUNPSA-N 0 0 409.486 3.961 40 5 HHBBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000223026830 568909470 /nfs/dbraw/zinc/90/94/70/568909470.db2.gz CFHSWVADRSDDDX-VQTJNVASSA-N 0 0 424.482 3.869 40 5 HHBBRN O=C(NCCc1ccc(CCNC(=O)c2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000003845568 568927445 /nfs/dbraw/zinc/92/74/45/568927445.db2.gz RVPKVTANJZEJIB-UHFFFAOYSA-N 0 0 417.465 3.540 40 5 HHBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000059132855 568943960 /nfs/dbraw/zinc/94/39/60/568943960.db2.gz PWYXNSRWWSHTLR-UHFFFAOYSA-N 0 0 411.439 3.956 40 5 HHBBRN CC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 ZINC000059474792 568955701 /nfs/dbraw/zinc/95/57/01/568955701.db2.gz CSWJIDDYYKKCRC-UHFFFAOYSA-N 0 0 402.457 3.894 40 5 HHBBRN CC(=O)NC(=S)Nc1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000016139107 569029419 /nfs/dbraw/zinc/02/94/19/569029419.db2.gz LYUYUJGFJBZHNZ-YCRREMRBSA-N 0 0 418.862 3.733 40 5 HHBBRN COc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1Br ZINC000016250135 569030345 /nfs/dbraw/zinc/03/03/45/569030345.db2.gz JNYRSDVIKTUMAA-UHFFFAOYSA-N 0 0 424.276 3.801 40 5 HHBBRN Nc1ccc(Cl)cc1[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000016477595 569053768 /nfs/dbraw/zinc/05/37/68/569053768.db2.gz AQHVVLBJOOGISY-LJQANCHMSA-N 0 0 417.874 3.898 40 5 HHBBRN COc1ccc2c3nccc4c5cc(O[C@@H](C)C(C)=O)ccc5n(c43)c(=O)c2c1OC ZINC000006624326 569061118 /nfs/dbraw/zinc/06/11/18/569061118.db2.gz KQAVSUFRDQYKFC-ZDUSSCGKSA-N 0 0 416.433 3.965 40 5 biogenic HHBBRN COC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000138754468 569186537 /nfs/dbraw/zinc/18/65/37/569186537.db2.gz MUCLUDYMYGQWHF-UHFFFAOYSA-N 0 0 419.393 3.886 40 5 HHBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2F)n1C ZINC000007235640 569229738 /nfs/dbraw/zinc/22/97/38/569229738.db2.gz CCCCPFYTFHDYCE-UHFFFAOYSA-N 0 0 401.423 3.569 40 5 HHBBRN CCOC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225072078 569324034 /nfs/dbraw/zinc/32/40/34/569324034.db2.gz GDLWPIYIYPXKDZ-UHFFFAOYSA-N 0 0 420.487 3.785 40 5 HHBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000003587468 569328215 /nfs/dbraw/zinc/32/82/15/569328215.db2.gz MEUMASDLQQZFQE-UHFFFAOYSA-N 0 0 402.362 3.752 40 5 HHBBRN Cc1cccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)c1C ZINC000008417297 569340732 /nfs/dbraw/zinc/34/07/32/569340732.db2.gz IVOKWRBFSJAJAF-UHFFFAOYSA-N 0 0 413.430 3.502 40 5 HHBBRN CC(C)CC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000009062423 569342132 /nfs/dbraw/zinc/34/21/32/569342132.db2.gz MOZSRNLWLHUYBR-UHFFFAOYSA-N 0 0 409.402 3.882 40 5 HHBBRN CCCCc1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000010335475 569343917 /nfs/dbraw/zinc/34/39/17/569343917.db2.gz ISTNTVKCOWXOKR-UHFFFAOYSA-N 0 0 419.503 3.651 40 5 HHBBRN CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000107734665 569352901 /nfs/dbraw/zinc/35/29/01/569352901.db2.gz KBIPLOLALBXHSY-CQSZACIVSA-N 0 0 411.487 3.990 40 5 HHBBRN O=C(NC(=S)Nc1cccc(Cl)c1N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000107991332 569353222 /nfs/dbraw/zinc/35/32/22/569353222.db2.gz JRKWAZRDABXDSN-UHFFFAOYSA-N 0 0 404.879 3.975 40 5 HHBBRN COc1ccc(-c2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n[nH]2)cc1 ZINC000009010164 569391139 /nfs/dbraw/zinc/39/11/39/569391139.db2.gz VUQQLAGISXDFGP-UHFFFAOYSA-N 0 0 419.850 3.773 40 5 HHBBRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000019164669 569414284 /nfs/dbraw/zinc/41/42/84/569414284.db2.gz UXNIMILEGAYMFK-UHFFFAOYSA-N 0 0 417.487 3.639 40 5 HHBBRN COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000007881896 961360769 /nfs/dbraw/zinc/36/07/69/961360769.db2.gz UHGLADWRDJJSEU-LBPRGKRZSA-N 0 0 403.822 3.557 40 5 HHBBRN Cc1cc(C)cc(OCC(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 ZINC000006963396 132321802 /nfs/dbraw/zinc/32/18/02/132321802.db2.gz QAFNPTYZSJMFCL-UHFFFAOYSA-N 0 0 403.866 3.593 40 5 HHBBRN O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000032127801 527513799 /nfs/dbraw/zinc/51/37/99/527513799.db2.gz NQRJQLQXFDVHNM-UHFFFAOYSA-N 0 0 418.862 3.947 40 5 HHBBRN Cc1cc(=O)oc(C)c1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000006474541 557704247 /nfs/dbraw/zinc/70/42/47/557704247.db2.gz JPQDUENFEUOIHD-OAQYLSRUSA-N 0 0 407.378 3.946 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1ccccc1C(C)C)S(C)(=O)=O ZINC000220388704 559068449 /nfs/dbraw/zinc/06/84/49/559068449.db2.gz KXQDETBWBWVNFV-OAHLLOKOSA-N 0 0 419.503 3.820 40 5 HHBBRN 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ZINC000409135151 559242134 /nfs/dbraw/zinc/24/21/34/559242134.db2.gz VAIYYTHENSJQOU-CZUORRHYSA-N 0 0 403.508 3.660 40 5 HHBBRN COCCN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O ZINC000409146235 559242451 /nfs/dbraw/zinc/24/24/51/559242451.db2.gz SDHVVUJHNMMQMD-MHWRWJLKSA-N 0 0 404.400 3.546 40 5 HHBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccccc1O ZINC000409411860 559250359 /nfs/dbraw/zinc/25/03/59/559250359.db2.gz MJFRBICUCXIBIU-UHFFFAOYSA-N 0 0 413.459 3.618 40 5 HHBBRN Cc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)c1 ZINC000005548120 560607228 /nfs/dbraw/zinc/60/72/28/560607228.db2.gz AONQYTHLUJEJMC-NFJKTXFASA-N 0 0 410.429 3.780 40 5 HHBBRN CCOC(=O)N1CCN(C(=O)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)CC1 ZINC000408993573 560663014 /nfs/dbraw/zinc/66/30/14/560663014.db2.gz WINUEXIUXNWXIT-UHFFFAOYSA-N 0 0 418.457 3.570 40 5 HHBBRN CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(C)c1-c1ccccc1 ZINC000409197598 560690625 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CC(C)c1ccccc1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222363452 568751276 /nfs/dbraw/zinc/75/12/76/568751276.db2.gz FEYJWSYHGYOOTJ-UHFFFAOYSA-N 0 0 419.503 3.903 40 5 HHBBRN CC[C@@H](C(=O)Nc1ccc(C)c(C)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222531652 568762756 /nfs/dbraw/zinc/76/27/56/568762756.db2.gz JETHINWILVWZGR-SFHVURJKSA-N 0 0 419.503 3.703 40 5 HHBBRN CC[C@H](C(=O)Nc1cc(C)ccc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222531280 568762772 /nfs/dbraw/zinc/76/27/72/568762772.db2.gz BVNOQSPQKIHJDJ-GOSISDBHSA-N 0 0 419.503 3.703 40 5 HHBBRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222686929 568768068 /nfs/dbraw/zinc/76/80/68/568768068.db2.gz KLHPKWYBBOXAFT-LBPRGKRZSA-N 0 0 424.284 3.607 40 5 HHBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)o1 ZINC000222762262 568771186 /nfs/dbraw/zinc/77/11/86/568771186.db2.gz PSXRWANUDOEMPP-MOPGFXCFSA-N 0 0 410.455 3.861 40 5 HHBBRN 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ZINC000223241379 568928081 /nfs/dbraw/zinc/92/80/81/568928081.db2.gz UOCLRQJMGLGQCU-INIZCTEOSA-N 0 0 415.465 3.610 40 5 HHBBRN COc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1Br ZINC000016283154 569030376 /nfs/dbraw/zinc/03/03/76/569030376.db2.gz PDEPWQKFVTVPAU-UHFFFAOYSA-N 0 0 424.276 3.801 40 5 HHBBRN Cc1cc(OCC(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)ccc1Cl ZINC000016282298 569030384 /nfs/dbraw/zinc/03/03/84/569030384.db2.gz MTDRIMBPTJCHQW-UHFFFAOYSA-N 0 0 424.284 3.938 40 5 HHBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)o1 ZINC000223631001 569030698 /nfs/dbraw/zinc/03/06/98/569030698.db2.gz NWUUOSHTRUIZAE-PMACEKPBSA-N 0 0 424.482 3.605 40 5 HHBBRN Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223808167 569031711 /nfs/dbraw/zinc/03/17/11/569031711.db2.gz GFGFYXLAZCZFIK-GOSISDBHSA-N 0 0 423.513 3.922 40 5 HHBBRN CCOC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)OCC)c1C ZINC000001903813 569057336 /nfs/dbraw/zinc/05/73/36/569057336.db2.gz VZJSXEQNGMKKHK-UHFFFAOYSA-N 0 0 406.416 3.570 40 5 HHBBRN Cc1c(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000007387990 569235851 /nfs/dbraw/zinc/23/58/51/569235851.db2.gz VHRJRJHNZLBXRL-UHFFFAOYSA-N 0 0 424.501 3.850 40 5 HHBBRN Cc1ccc(C)c2sc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nc21 ZINC000017089166 569273490 /nfs/dbraw/zinc/27/34/90/569273490.db2.gz ROKZFJBDFHGRNX-UHFFFAOYSA-N 0 0 412.471 3.910 40 5 HHBBRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)NNc1ccc([N+](=O)[O-])cc1 ZINC000017090204 569273579 /nfs/dbraw/zinc/27/35/79/569273579.db2.gz WAXUNWIBXNEVDW-UHFFFAOYSA-N 0 0 415.258 3.542 40 5 HHBBRN Cc1ccc(C)c2sc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)nc21 ZINC000017089164 569274254 /nfs/dbraw/zinc/27/42/54/569274254.db2.gz LFIGFZGEJOYKFU-UHFFFAOYSA-N 0 0 412.471 3.910 40 5 HHBBRN CN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2Cl)CC1 ZINC000017088166 569274374 /nfs/dbraw/zinc/27/43/74/569274374.db2.gz OAUAUVVDUVAHOP-UHFFFAOYSA-N 0 0 409.273 3.906 40 5 HHBBRN CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224790900 569289880 /nfs/dbraw/zinc/28/98/80/569289880.db2.gz ZKPYSLCLAGLQKE-UHFFFAOYSA-N 0 0 414.867 3.789 40 5 HHBBRN COc1ccc(Cc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)o2)cc1OC ZINC000007610239 569338005 /nfs/dbraw/zinc/33/80/05/569338005.db2.gz JXBYCIATMHHFJC-UHFFFAOYSA-N 0 0 415.427 3.561 40 5 HHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2cccc3ccccc32)CC1=O ZINC000007928443 569338492 /nfs/dbraw/zinc/33/84/92/569338492.db2.gz SZYMWJJFFXIUIQ-OAHLLOKOSA-N 0 0 405.410 3.748 40 5 HHBBRN CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000007928448 569338508 /nfs/dbraw/zinc/33/85/08/569338508.db2.gz BYQFJNBCLSXUJQ-INIZCTEOSA-N 0 0 411.458 3.720 40 5 HHBBRN O=C(CNC(=O)c1ccccc1)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000010040827 569342721 /nfs/dbraw/zinc/34/27/21/569342721.db2.gz GVXIDDMKUBZMLH-UHFFFAOYSA-N 0 0 406.394 3.860 40 5 HHBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000061240848 569352444 /nfs/dbraw/zinc/35/24/44/569352444.db2.gz MYUHPFMCNJUDJF-FMIVXFBMSA-N 0 0 402.410 3.572 40 5 HHBBRN Cc1cccc(C)c1OCc1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1C ZINC000108028589 569353298 /nfs/dbraw/zinc/35/32/98/569353298.db2.gz XRDYZBDPXOCUAL-UHFFFAOYSA-N 0 0 412.471 3.894 40 5 HHBBRN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000008902555 569390840 /nfs/dbraw/zinc/39/08/40/569390840.db2.gz NSFNHUALGFQNIM-UHFFFAOYSA-N 0 0 413.474 3.746 40 5 HHBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)nc21 ZINC000010010615 569394922 /nfs/dbraw/zinc/39/49/22/569394922.db2.gz HTUXNLVSVYWNND-AATRIKPKSA-N 0 0 400.372 3.773 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccccc2C)o1 ZINC000008571636 571082281 /nfs/dbraw/zinc/08/22/81/571082281.db2.gz ZHCHGCDYBQDPQF-UHFFFAOYSA-N 0 0 414.443 3.904 40 5 HHBBRN COc1ccc(Nc2cc(-c3ccccc3)nc(N[C@H](CO)C(C)C)n2)c([N+](=O)[O-])c1 ZINC000328994508 571309332 /nfs/dbraw/zinc/30/93/32/571309332.db2.gz JEYXZARYQKDRAU-LJQANCHMSA-N 0 0 423.473 4.233 40 5 HHBBRN O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3cc4ccccc4o3)n2)c1 ZINC000015674879 291260056 /nfs/dbraw/zinc/26/00/56/291260056.db2.gz KPLIMMMOUKQVLI-AEFFLSMTSA-N 0 0 406.398 3.699 40 5 biogenic,in-vitro HHBBRN Cc1c2cc3c(=O)ccoc3c(C)c2oc(=O)c1NC(=O)C(C)(C)Br ZINC000001631594 557277428 /nfs/dbraw/zinc/27/74/28/557277428.db2.gz HUDOVPXYMPVBGY-UHFFFAOYSA-N 0 0 406.232 3.628 40 5 HHBBRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)c1ccccc1 ZINC000005966187 557682754 /nfs/dbraw/zinc/68/27/54/557682754.db2.gz HWFYUPZRJXTRDS-UHFFFAOYSA-N 0 0 404.378 3.621 40 5 HHBBRN O=C1C[C@H](c2ccco2)Cc2nc3nc(SCc4ccc([N+](=O)[O-])cc4)nn3cc21 ZINC000013634294 558848873 /nfs/dbraw/zinc/84/88/73/558848873.db2.gz MQFHFRQGYVRIKK-CYBMUJFWSA-N 0 0 421.438 3.831 40 5 HHBBRN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220411788 559076728 /nfs/dbraw/zinc/07/67/28/559076728.db2.gz DDAOIEDOOHSBDW-OAHLLOKOSA-N 0 0 419.503 3.820 40 5 HHBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1F)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000004892858 559198089 /nfs/dbraw/zinc/19/80/89/559198089.db2.gz NXWCZTAGNCMYJY-ISQHLFTMSA-N 0 0 414.392 3.611 40 5 HHBBRN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000408564130 559218278 /nfs/dbraw/zinc/21/82/78/559218278.db2.gz YCZLKXZTZDFZCR-UHFFFAOYSA-N 0 0 406.464 3.578 40 5 HHBBRN CCOc1ccccc1-c1nc(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000408583928 559220129 /nfs/dbraw/zinc/22/01/29/559220129.db2.gz YUJRBJSCWDTLCP-UHFFFAOYSA-N 0 0 413.459 3.818 40 5 HHBBRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000408624557 559221909 /nfs/dbraw/zinc/22/19/09/559221909.db2.gz XSLDQEGOAFBONZ-UHFFFAOYSA-N 0 0 405.410 3.794 40 5 HHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O ZINC000408642929 559223076 /nfs/dbraw/zinc/22/30/76/559223076.db2.gz PTERHMHLSNRUCT-JTQLQIEISA-N 0 0 424.240 3.902 40 5 HHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)CC1=O ZINC000408642400 559223106 /nfs/dbraw/zinc/22/31/06/559223106.db2.gz OOAHDWQNUQMBDI-LLVKDONJSA-N 0 0 423.347 3.614 40 5 HHBBRN CCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409135149 559241650 /nfs/dbraw/zinc/24/16/50/559241650.db2.gz VAIYYTHENSJQOU-BBRMVZONSA-N 0 0 403.508 3.660 40 5 HHBBRN Cc1cccc(OCc2nn(CC(=O)Nc3cc([N+](=O)[O-])ccc3C)c(=S)o2)c1 ZINC000409166553 559243237 /nfs/dbraw/zinc/24/32/37/559243237.db2.gz DABWHWOOKMOGNK-UHFFFAOYSA-N 0 0 414.443 3.948 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(-c2ccc(C=O)o2)cc1 ZINC000409177269 559243586 /nfs/dbraw/zinc/24/35/86/559243586.db2.gz GGPKHBOXQWFNAS-UHFFFAOYSA-N 0 0 408.366 3.771 40 5 HHBBRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1 ZINC000001327422 560573466 /nfs/dbraw/zinc/57/34/66/560573466.db2.gz WMWICLYHSFFVTJ-UHFFFAOYSA-N 0 0 420.878 3.693 40 5 HHBBRN OCCCNC(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000408975817 560660289 /nfs/dbraw/zinc/66/02/89/560660289.db2.gz NWQVHJMQMDOBJW-UHFFFAOYSA-N 0 0 414.494 3.548 40 5 HHBBRN Cc1ccc(OCc2nn(CC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c(=S)o2)cc1 ZINC000409155909 560685356 /nfs/dbraw/zinc/68/53/56/560685356.db2.gz RUXHOXCLGJDZLN-UHFFFAOYSA-N 0 0 414.443 3.948 40 5 HHBBRN O=C(CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O)Nc1cccc(Cl)c1 ZINC000409163062 560685846 /nfs/dbraw/zinc/68/58/46/560685846.db2.gz LJKAEFNOBKSFOX-OVCLIPMQSA-N 0 0 417.830 3.923 40 5 HHBBRN CCNc1cc(N2CCN(C(=O)c3ccc(OC(C)C)cc3)CC2)ccc1[N+](=O)[O-] ZINC000013633006 560825817 /nfs/dbraw/zinc/82/58/17/560825817.db2.gz KOWRAQNFRDKEKZ-UHFFFAOYSA-N 0 0 412.490 3.776 40 5 HHBBRN Cc1cccc(NC2=N[C@H](c3cc([N+](=O)[O-])ccc3Cl)n3c(=O)cc(C)nc3N2)c1 ZINC000104017313 560847750 /nfs/dbraw/zinc/84/77/50/560847750.db2.gz JNHNEMVTCYXZKY-SFHVURJKSA-N 0 0 424.848 3.862 40 5 HHBBRN CCOc1ccc([C@@H](C)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1OCC ZINC000019932554 568585887 /nfs/dbraw/zinc/58/58/87/568585887.db2.gz IQWIDDOFVLEAAW-CQSZACIVSA-N 0 0 408.476 3.573 40 5 HHBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCSCc2ccccc2Cl)c1 ZINC000019932043 568585896 /nfs/dbraw/zinc/58/58/96/568585896.db2.gz GOEGGTMPTVFSNH-UHFFFAOYSA-N 0 0 400.909 3.601 40 5 HHBBRN O=C(c1cccc(Cl)c1)N1NC(C(F)(F)F)=C[C@@]1(O)c1ccc([N+](=O)[O-])cc1 ZINC000020437110 568606744 /nfs/dbraw/zinc/60/67/44/568606744.db2.gz CJWPMHUUVDKZEH-MRXNPFEDSA-N 0 0 413.739 3.858 40 5 HHBBRN Cc1ccc(-n2nc3ccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3n2)cc1 ZINC000020609999 568636508 /nfs/dbraw/zinc/63/65/08/568636508.db2.gz SMERRBBURAWODF-UHFFFAOYSA-N 0 0 403.398 3.655 40 5 HHBBRN CCc1cccc(C)c1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222363529 568751282 /nfs/dbraw/zinc/75/12/82/568751282.db2.gz BCNCSRTUGPDWRL-UHFFFAOYSA-N 0 0 419.503 3.651 40 5 HHBBRN O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000000951406 568756725 /nfs/dbraw/zinc/75/67/25/568756725.db2.gz SAOJXALEOTXACN-UHFFFAOYSA-N 0 0 408.197 3.526 40 5 HHBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222461235 568760194 /nfs/dbraw/zinc/76/01/94/568760194.db2.gz KKFDFDPMTJCJET-HXUWFJFHSA-N 0 0 411.502 3.778 40 5 HHBBRN CN(c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(Cl)c1)S(C)(=O)=O ZINC000222517877 568761351 /nfs/dbraw/zinc/76/13/51/568761351.db2.gz QPAZXQPEYYGQCU-UHFFFAOYSA-N 0 0 418.258 3.550 40 5 HHBBRN Cc1cccc(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1C ZINC000222633106 568766271 /nfs/dbraw/zinc/76/62/71/568766271.db2.gz NRGXCOQXUCRRLU-UHFFFAOYSA-N 0 0 419.503 3.705 40 5 HHBBRN CCc1ccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000222644670 568766521 /nfs/dbraw/zinc/76/65/21/568766521.db2.gz OKKDUMCXPZQQTD-UHFFFAOYSA-N 0 0 419.503 3.651 40 5 HHBBRN O=C1NC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1ccc(Br)cc1 ZINC000003176945 568859920 /nfs/dbraw/zinc/85/99/20/568859920.db2.gz ZVFPSSGBGGKWTE-QPEQYQDCSA-N 0 0 406.623 3.928 40 5 HHBBRN CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000032112002 568915461 /nfs/dbraw/zinc/91/54/61/568915461.db2.gz RCROOWLLYADHQN-UHFFFAOYSA-N 0 0 420.878 3.970 40 5 HHBBRN CC(C)c1ccc(-c2noc(CN(C)S(=O)(=O)c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000223581361 569030558 /nfs/dbraw/zinc/03/05/58/569030558.db2.gz IBJNHKLCWXCUEW-UHFFFAOYSA-N 0 0 416.459 3.589 40 5 HHBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)o1 ZINC000223630863 569030721 /nfs/dbraw/zinc/03/07/21/569030721.db2.gz NWUUOSHTRUIZAE-WOJBJXKFSA-N 0 0 424.482 3.605 40 5 HHBBRN Cc1ccc(NCc2nc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000006245349 569034496 /nfs/dbraw/zinc/03/44/96/569034496.db2.gz ZNGFNWJQNLITJM-UHFFFAOYSA-N 0 0 412.475 3.673 40 5 HHBBRN Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H](C)C(=O)NCC(C)C ZINC000224114311 569052201 /nfs/dbraw/zinc/05/22/01/569052201.db2.gz GSISTEQIKYTDIW-GOSISDBHSA-N 0 0 411.502 3.635 40 5 HHBBRN Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NCC(C)C)c1 ZINC000224146395 569052795 /nfs/dbraw/zinc/05/27/95/569052795.db2.gz HXHKAYZVVBOHRL-GOSISDBHSA-N 0 0 411.502 3.635 40 5 HHBBRN CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224313442 569057072 /nfs/dbraw/zinc/05/70/72/569057072.db2.gz ZXFAXQPRKSZKIR-SFHVURJKSA-N 0 0 417.893 3.734 40 5 HHBBRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000224527324 569070100 /nfs/dbraw/zinc/07/01/00/569070100.db2.gz QLDAVAYGMXRISY-UHFFFAOYSA-N 0 0 411.439 3.956 40 5 HHBBRN Cc1c(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000007388294 569235841 /nfs/dbraw/zinc/23/58/41/569235841.db2.gz MKLYCGMGHBLBBX-UHFFFAOYSA-N 0 0 424.501 3.850 40 5 HHBBRN COc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(OC)c1 ZINC000213406092 569272082 /nfs/dbraw/zinc/27/20/82/569272082.db2.gz GQDSWAYGBBIYJI-RQZCQDPDSA-N 0 0 400.412 3.849 40 5 HHBBRN COc1ccc(/C=C/C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000017089841 569274222 /nfs/dbraw/zinc/27/42/22/569274222.db2.gz BNAOMSKIHFLLRZ-RUDMXATFSA-N 0 0 414.468 3.740 40 5 HHBBRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224779237 569289034 /nfs/dbraw/zinc/28/90/34/569289034.db2.gz RWLVHEBXVYFXMS-OAHLLOKOSA-N 0 0 417.893 3.734 40 5 HHBBRN CCN(c1cc(C(=O)OC)ccc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224787445 569289516 /nfs/dbraw/zinc/28/95/16/569289516.db2.gz QBJHLBHTMWFREJ-UHFFFAOYSA-N 0 0 412.851 3.558 40 5 HHBBRN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000005294874 569328564 /nfs/dbraw/zinc/32/85/64/569328564.db2.gz HVWOVLSWSVYTRS-UHFFFAOYSA-N 0 0 400.416 3.596 40 5 HHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2cccc(Cl)c2C)CC1=O ZINC000007928445 569338515 /nfs/dbraw/zinc/33/85/15/569338515.db2.gz NYXJJJKQETXXEA-GFCCVEGCSA-N 0 0 403.822 3.557 40 5 HHBBRN Cc1cc(C)cc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000008413015 569340401 /nfs/dbraw/zinc/34/04/01/569340401.db2.gz IAZIZLJPFUTSMV-UHFFFAOYSA-N 0 0 413.430 3.502 40 5 HHBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000009055365 569342047 /nfs/dbraw/zinc/34/20/47/569342047.db2.gz HOHJAJYLJSGHQF-UHFFFAOYSA-N 0 0 402.362 3.752 40 5 HHBBRN Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1NS(=O)(=O)c1ccccc1 ZINC000010328892 569343783 /nfs/dbraw/zinc/34/37/83/569343783.db2.gz KYIKWXVOYKZZKC-UHFFFAOYSA-N 0 0 411.439 3.956 40 5 HHBBRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])o2)cc1 ZINC000010475577 569344465 /nfs/dbraw/zinc/34/44/65/569344465.db2.gz XMTPBOGITUMZLF-UHFFFAOYSA-N 0 0 414.443 3.904 40 5 HHBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000033795612 569351412 /nfs/dbraw/zinc/35/14/12/569351412.db2.gz PMCNTJCZDOCRDJ-UHFFFAOYSA-N 0 0 412.383 3.890 40 5 HHBBRN CCN(CC)C(=O)[C@@H]1CCCN(C(=O)Nc2cc3ncccc3c3cccnc23)C1 ZINC000108014267 569353328 /nfs/dbraw/zinc/35/33/28/569353328.db2.gz CHABYFBMFMHOMU-MRXNPFEDSA-N 0 0 405.502 3.895 40 5 HHBBRN O=C1S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1Cc1ccc(F)cc1 ZINC000002395184 569393631 /nfs/dbraw/zinc/39/36/31/569393631.db2.gz PRYCICUBAPLQBN-SOFYXZRVSA-N 0 0 402.359 3.699 40 5 HHBBRN CNc1nc(Nc2cccc([N+](=O)[O-])c2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328997297 569423242 /nfs/dbraw/zinc/42/32/42/569423242.db2.gz JODGXKGPEMNVIX-UHFFFAOYSA-N 0 0 419.363 3.888 40 5 HHBBRN O=[N+]([O-])c1cc(Nc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)ccc1F ZINC000329011469 569423484 /nfs/dbraw/zinc/42/34/84/569423484.db2.gz MEVWVOXNQRWNLL-UHFFFAOYSA-N 0 0 408.437 3.918 40 5 HHBBRN C/C=C/C(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000039748148 571134344 /nfs/dbraw/zinc/13/43/44/571134344.db2.gz XWITVAMPDPUMGG-DUXPYHPUSA-N 0 0 409.427 3.880 40 5 HHBBRN CC(C)[C@@H](CO)Nc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2ccccc2)n1 ZINC000328959275 571305924 /nfs/dbraw/zinc/30/59/24/571305924.db2.gz ASOFCGWGFHVTST-HXUWFJFHSA-N 0 0 407.474 4.093 40 5 HHBBRN O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccc(Cl)cc3)n2)c1 ZINC000015674833 291260045 /nfs/dbraw/zinc/26/00/45/291260045.db2.gz XFGWAUBLXGNRIY-SJORKVTESA-N 0 0 400.822 3.606 40 5 biogenic,in-vitro HHBBRN CC(C)Cn1ccc2nc3ccn(-c4nc(C5CCCCC5)n[nH]4)c(=O)c3cc2c1=O ZINC000040399019 519515465 /nfs/dbraw/zinc/51/54/65/519515465.db2.gz JUQNAGUAEOXHNF-UHFFFAOYSA-N 0 0 418.501 3.522 40 5 HHBBRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000020481126 525220177 /nfs/dbraw/zinc/22/01/77/525220177.db2.gz VKSPHHIOYVBSJM-UHFFFAOYSA-N 0 0 404.231 3.525 40 5 HHBBRN CCOC(=O)c1cc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(-c2ccccc2)n1 ZINC000408530694 557297433 /nfs/dbraw/zinc/29/74/33/557297433.db2.gz QLCKUSFJGHWPMF-UHFFFAOYSA-N 0 0 415.789 3.830 40 5 HHBBRN O=C(COC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Br)c(Cl)c1 ZINC000408669582 557661756 /nfs/dbraw/zinc/66/17/56/557661756.db2.gz WWOBDBKVTOENRW-UHFFFAOYSA-N 0 0 413.611 3.806 40 5 HHBBRN O=C(Nc1ccc(-c2nn3cnnc3s2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000004714840 558914531 /nfs/dbraw/zinc/91/45/31/558914531.db2.gz VOTKBIQYBGIGPK-UHFFFAOYSA-N 0 0 400.807 3.667 40 5 HHBBRN C[C@H]1N=C(c2ccc(I)cc2)[C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)N21 ZINC000015931879 558992959 /nfs/dbraw/zinc/99/29/59/558992959.db2.gz PQXSWFOGRMAMAY-DNNUUEAESA-N 0 0 419.222 3.774 40 5 HHBBRN CCN1CCN(c2cc(NC(=O)c3ccccc3OC)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229540 559170073 /nfs/dbraw/zinc/17/00/73/559170073.db2.gz KSQCNWRTOSKMKN-UHFFFAOYSA-N 0 0 418.881 3.651 40 5 HHBBRN CCN1CCN(c2cc(NC(=O)c3ccc(OC)cc3)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229580 559170204 /nfs/dbraw/zinc/17/02/04/559170204.db2.gz QZVCUGUMXHTOEO-UHFFFAOYSA-N 0 0 418.881 3.651 40 5 HHBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1F)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 ZINC000004892863 559198063 /nfs/dbraw/zinc/19/80/63/559198063.db2.gz NXWCZTAGNCMYJY-ZRDDSIGQSA-N 0 0 414.392 3.611 40 5 HHBBRN COc1ccc(-c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)nn2)cc1OC ZINC000408528415 559214827 /nfs/dbraw/zinc/21/48/27/559214827.db2.gz DZTSKKCVROTAOR-UHFFFAOYSA-N 0 0 415.789 3.942 40 5 HHBBRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OCC ZINC000408584996 559220091 /nfs/dbraw/zinc/22/00/91/559220091.db2.gz ABCFZQQHFHMLEU-UHFFFAOYSA-N 0 0 423.447 3.671 40 5 HHBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1O ZINC000408613619 559221575 /nfs/dbraw/zinc/22/15/75/559221575.db2.gz YVTLRFZOZAOSSX-UHFFFAOYSA-N 0 0 414.199 3.916 40 5 HHBBRN COc1ccc(Cc2nnc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1OC ZINC000408636554 559222625 /nfs/dbraw/zinc/22/26/25/559222625.db2.gz AFDJALRWHQIURZ-UHFFFAOYSA-N 0 0 418.387 3.645 40 5 HHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2cc(Cl)ccc2Cl)CC1=O ZINC000408648361 559223341 /nfs/dbraw/zinc/22/33/41/559223341.db2.gz XXVPJVPSMVYKPK-SNVBAGLBSA-N 0 0 424.240 3.902 40 5 HHBBRN O=C(CCCC(=O)OCC(=O)Nc1ccccc1Cl)Nc1cccc([N+](=O)[O-])c1 ZINC000408660972 559223618 /nfs/dbraw/zinc/22/36/18/559223618.db2.gz AFOCLUFJNZIVCQ-UHFFFAOYSA-N 0 0 419.821 3.539 40 5 HHBBRN COC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000408685807 559224463 /nfs/dbraw/zinc/22/44/63/559224463.db2.gz ROUDVRMAHJIFTN-UHFFFAOYSA-N 0 0 419.393 3.886 40 5 HHBBRN CCOc1ccc(Cl)cc1/C=C1\NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409097293 559240690 /nfs/dbraw/zinc/24/06/90/559240690.db2.gz NIDZKNKZDKEVQU-YBEGLDIGSA-N 0 0 401.806 3.740 40 5 HHBBRN Cc1c(F)cccc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C ZINC000409131232 559242131 /nfs/dbraw/zinc/24/21/31/559242131.db2.gz MNGDKXFTKVBFLC-UHFFFAOYSA-N 0 0 401.423 3.569 40 5 HHBBRN Cc1ccc(NC(=O)Cn2nc(COc3ccccc3)oc2=S)cc1[N+](=O)[O-] ZINC000409168570 559243280 /nfs/dbraw/zinc/24/32/80/559243280.db2.gz MTVKGKBNJREQFZ-UHFFFAOYSA-N 0 0 400.416 3.640 40 5 HHBBRN Cc1cc(Br)c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000409197954 559244314 /nfs/dbraw/zinc/24/43/14/559244314.db2.gz SONILTUZGNHKQX-UHFFFAOYSA-N 0 0 407.220 3.770 40 5 HHBBRN CCCOC(=O)c1cc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000409209268 559244692 /nfs/dbraw/zinc/24/46/92/559244692.db2.gz ILNCOVCNIBPXBQ-UHFFFAOYSA-N 0 0 420.805 3.611 40 5 HHBBRN COc1ccc(Br)cc1[C@H]1OC(=O)c2c1c([N+](=O)[O-])cc(OC)c2OC ZINC000005159753 559253416 /nfs/dbraw/zinc/25/34/16/559253416.db2.gz HGMNEFVBMOKVEQ-OAHLLOKOSA-N 0 0 424.203 3.643 40 5 HHBBRN Cn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccccc1 ZINC000004954415 560617286 /nfs/dbraw/zinc/61/72/86/560617286.db2.gz RJXTXYCYABDPGQ-UHFFFAOYSA-N 0 0 403.851 3.775 40 5 HHBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)c(C)c1 ZINC000409176899 560687275 /nfs/dbraw/zinc/68/72/75/560687275.db2.gz AGQXKUZZUUYRHK-LICLKQGHSA-N 0 0 411.439 3.887 40 5 HHBBRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(Br)c1 ZINC000409204057 560693989 /nfs/dbraw/zinc/69/39/89/560693989.db2.gz CFSRSCFPRWIAER-UHFFFAOYSA-N 0 0 413.611 3.806 40 5 HHBBRN O=C1S/C(=C/c2cc3ccccc3oc2=O)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000409363804 560715135 /nfs/dbraw/zinc/71/51/35/560715135.db2.gz VFHOOWUEGSMABG-LICLKQGHSA-N 0 0 408.391 3.938 40 5 HHBBRN CCOc1ccc2ccccc2c1-c1nc2ccccc2c2c(=O)[n-]c(SC)n[n+]12 ZINC000588226650 560743191 /nfs/dbraw/zinc/74/31/91/560743191.db2.gz HOBCCGGQMZWHMU-UHFFFAOYSA-O 0 0 415.498 3.998 40 5 HHBBRN COc1c([N+](=O)[O-])cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000103933134 560845088 /nfs/dbraw/zinc/84/50/88/560845088.db2.gz OCWDPHPMDHFBRZ-HWKANZROSA-N 0 0 422.737 3.725 40 5 HHBBRN Cc1n[nH]c(C)c1NC(=O)c1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000014404763 560845416 /nfs/dbraw/zinc/84/54/16/560845416.db2.gz PKQYBYFDFBADKK-ZHACJKMWSA-N 0 0 405.414 3.839 40 5 HHBBRN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000014822573 560853175 /nfs/dbraw/zinc/85/31/75/560853175.db2.gz LTHMVHUDLJXBMS-UHFFFAOYSA-N 0 0 417.487 3.720 40 5 HHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c(-c2ccccc2Cl)n1 ZINC000020051099 568586703 /nfs/dbraw/zinc/58/67/03/568586703.db2.gz QLOTUVSEGBTKRU-UHFFFAOYSA-N 0 0 419.850 3.773 40 5 HHBBRN CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225255578 568626058 /nfs/dbraw/zinc/62/60/58/568626058.db2.gz QPBALRYZENKCHE-IBGZPJMESA-N 0 0 415.465 3.610 40 5 HHBBRN CC[C@@H](C(=O)Nc1cccc(C)c1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222533776 568762718 /nfs/dbraw/zinc/76/27/18/568762718.db2.gz YUYJIFFVACDEFZ-SFHVURJKSA-N 0 0 419.503 3.703 40 5 HHBBRN CC[C@@H](C(=O)Nc1cc(C)ccc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222531217 568762786 /nfs/dbraw/zinc/76/27/86/568762786.db2.gz BVNOQSPQKIHJDJ-SFHVURJKSA-N 0 0 419.503 3.703 40 5 HHBBRN CC[C@@H](C(=O)Nc1ccc(C)cc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222531073 568762805 /nfs/dbraw/zinc/76/28/05/568762805.db2.gz ZGBDXRLHPXBQHX-SFHVURJKSA-N 0 0 419.503 3.703 40 5 HHBBRN Cc1cc(C)cc(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 ZINC000222570884 568764071 /nfs/dbraw/zinc/76/40/71/568764071.db2.gz XQUQCMFVWRYTGK-UHFFFAOYSA-N 0 0 419.503 3.705 40 5 HHBBRN Cc1cc(C)c(C)c(Oc2cc([N+](=O)[O-])cc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](O5)[C@H]4C3=O)c2)c1 ZINC000002809607 568810946 /nfs/dbraw/zinc/81/09/46/568810946.db2.gz WFXIMDQQONVABX-GHSBBIOCSA-N 0 0 422.437 3.979 40 5 HHBBRN CC(C)(C)NC(=O)/C(=C/c1ccccc1Cl)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003056138 568851624 /nfs/dbraw/zinc/85/16/24/568851624.db2.gz NBMHZWSYYXJVJK-ATVHPVEESA-N 0 0 401.850 3.934 40 5 HHBBRN O=C(c1ccco1)c1noc(-c2ccc([N+](=O)[O-])cc2)c1S(=O)(=O)c1ccccc1 ZINC000003848877 568927431 /nfs/dbraw/zinc/92/74/31/568927431.db2.gz NMFDZUZEOVXIPJ-UHFFFAOYSA-N 0 0 424.390 3.907 40 5 HHBBRN Cc1ccc(NC(=O)CSc2nnc3c(n2)[C@@]2(C)CC[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000004130181 568944857 /nfs/dbraw/zinc/94/48/57/568944857.db2.gz LBWUIFMZTMLOAC-RNODOKPDSA-N 0 0 413.503 3.994 40 5 HHBBRN COc1ccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)cc1[N+](=O)[O-] ZINC000016227706 569030087 /nfs/dbraw/zinc/03/00/87/569030087.db2.gz IMQZBKUPFVZUON-UHFFFAOYSA-N 0 0 422.875 3.993 40 5 HHBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)o2)cc1 ZINC000223637494 569030723 /nfs/dbraw/zinc/03/07/23/569030723.db2.gz YCTMBRIICJTZCI-UXHICEINSA-N 0 0 424.482 3.605 40 5 HHBBRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000137934506 569052176 /nfs/dbraw/zinc/05/21/76/569052176.db2.gz NHKZQPFXZRNZHB-FHWLQOOXSA-N 0 0 421.434 3.707 40 5 HHBBRN COc1ccc2c3nc(C(=O)NC(C)C)cc4c5ccccc5n(c43)c(=O)c2c1OC ZINC000006624622 569061181 /nfs/dbraw/zinc/06/11/81/569061181.db2.gz VISGIDBAEITLFY-UHFFFAOYSA-N 0 0 415.449 3.747 40 5 biogenic HHBBRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000007388290 569235848 /nfs/dbraw/zinc/23/58/48/569235848.db2.gz XSYXWFIIEHFVCD-UHFFFAOYSA-N 0 0 410.474 3.542 40 5 HHBBRN CCSC1=NN2[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)Nc3ccccc3[C@H]2C(=O)N1 ZINC000588229067 569246180 /nfs/dbraw/zinc/24/61/80/569246180.db2.gz BPADGLUYUSWQFD-HOTGVXAUSA-N 0 0 417.878 3.870 40 5 HHBBRN Cc1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000017089883 569273367 /nfs/dbraw/zinc/27/33/67/569273367.db2.gz BUNLRJRPVKBPEU-UHFFFAOYSA-N 0 0 414.487 3.726 40 5 HHBBRN Cc1nc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1I ZINC000017091200 569273412 /nfs/dbraw/zinc/27/34/12/569273412.db2.gz FZUQBKJLXOCPRC-UHFFFAOYSA-N 0 0 417.590 3.809 40 5 HHBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000003577829 569328197 /nfs/dbraw/zinc/32/81/97/569328197.db2.gz FZCXXQLHECYXEN-UHFFFAOYSA-N 0 0 402.362 3.752 40 5 HHBBRN CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000007928447 569338521 /nfs/dbraw/zinc/33/85/21/569338521.db2.gz BYQFJNBCLSXUJQ-MRXNPFEDSA-N 0 0 411.458 3.720 40 5 HHBBRN Cc1cccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1C ZINC000008413024 569340386 /nfs/dbraw/zinc/34/03/86/569340386.db2.gz NEXDETGWXHVXIT-UHFFFAOYSA-N 0 0 413.430 3.502 40 5 HHBBRN Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000008571646 569341835 /nfs/dbraw/zinc/34/18/35/569341835.db2.gz SVXZUHOTEOFONT-UHFFFAOYSA-N 0 0 414.443 3.904 40 5 HHBBRN O=C(CSc1nnc(COc2ccccc2)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000012249395 569344715 /nfs/dbraw/zinc/34/47/15/569344715.db2.gz WJUCVJDMPYMCJJ-UHFFFAOYSA-N 0 0 420.834 3.941 40 5 HHBBRN COc1ccc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1OC(C)=O ZINC000008767633 569390285 /nfs/dbraw/zinc/39/02/85/569390285.db2.gz BKXQMMACTZUEJQ-VGOFMYFVSA-N 0 0 416.773 3.527 40 5 HHBBRN CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225425104 569395666 /nfs/dbraw/zinc/39/56/66/569395666.db2.gz JTZUXVZYQKYQBB-HXUWFJFHSA-N 0 0 411.502 3.513 40 5 HHBBRN COC(=O)c1cc(C(=O)OCC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)cc([N+](=O)[O-])c1 ZINC000012621270 569402125 /nfs/dbraw/zinc/40/21/25/569402125.db2.gz UXZVPYZIYQWULY-XWIAVFTESA-N 0 0 421.446 3.542 40 5 HHBBRN O=[N+]([O-])c1ccc(CN2CCC[C@H]2c2nc(-c3ccc(-n4ccnc4)nc3)no2)cc1 ZINC000035425764 291260092 /nfs/dbraw/zinc/26/00/92/291260092.db2.gz OKEVQKRTDOUUGE-SFHVURJKSA-N 0 0 417.429 3.563 40 5 biogenic,in-vitro HHBBRN Cc1ccc2nc3nc(NC4CCCC4)c(C(=O)NC4CCCC4)cc3c(=O)n2c1 ZINC000020059585 526256745 /nfs/dbraw/zinc/25/67/45/526256745.db2.gz YBGAFRSMCXFMNI-UHFFFAOYSA-N 0 0 405.502 3.578 40 5 HHBBRN O=C(c1ccc([N+](=O)[O-])cc1)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F ZINC000032101192 526714571 /nfs/dbraw/zinc/71/45/71/526714571.db2.gz FBOSGGHAEZDUNZ-MRXNPFEDSA-N 0 0 413.739 3.749 40 5 HHBBRN COC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccc(I)cc3)oc21 ZINC000073641735 558849716 /nfs/dbraw/zinc/84/97/16/558849716.db2.gz DTLZCDJENYOWPD-UHFFFAOYSA-N 0 0 424.150 3.794 40 5 HHBBRN O=C1[C@@H]2[C@H](c3ccccc3)N(c3ccccc3)O[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-] ZINC000013645178 558849767 /nfs/dbraw/zinc/84/97/67/558849767.db2.gz INEDVKVVWCQTTM-HKBOAZHASA-N 0 0 415.405 3.646 40 5 HHBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000014012602 559141423 /nfs/dbraw/zinc/14/14/23/559141423.db2.gz GGZHHYLRNWIUKE-UHFFFAOYSA-N 0 0 424.276 3.883 40 5 HHBBRN O=C(CSc1nnc(-c2cccc(O)c2)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004953172 559215657 /nfs/dbraw/zinc/21/56/57/559215657.db2.gz FXKLAXYEVRQTOC-UHFFFAOYSA-N 0 0 406.807 3.735 40 5 HHBBRN O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000408544613 559217046 /nfs/dbraw/zinc/21/70/46/559217046.db2.gz VXAXOMKHQXANNO-UHFFFAOYSA-N 0 0 403.203 3.936 40 5 HHBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1 ZINC000408565616 559218368 /nfs/dbraw/zinc/21/83/68/559218368.db2.gz COHUFWPNIVEXQC-INIZCTEOSA-N 0 0 403.395 3.733 40 5 HHBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000408576734 559218898 /nfs/dbraw/zinc/21/88/98/559218898.db2.gz YFIDRNYYCAVOPK-QGZVFWFLSA-N 0 0 415.431 3.603 40 5 HHBBRN Cc1c(NC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cccc1[N+](=O)[O-] ZINC000408585521 559220135 /nfs/dbraw/zinc/22/01/35/559220135.db2.gz ZBJPTLISLXQWBH-UHFFFAOYSA-N 0 0 419.503 3.551 40 5 HHBBRN O=C(NC(=S)Nc1ccc(F)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000408619183 559221642 /nfs/dbraw/zinc/22/16/42/559221642.db2.gz GLJRRMCMWPITEX-UHFFFAOYSA-N 0 0 402.451 3.851 40 5 HHBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000408646081 559223199 /nfs/dbraw/zinc/22/31/99/559223199.db2.gz NTWBDDMZXPEYCG-UHFFFAOYSA-N 0 0 420.421 3.917 40 5 HHBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C1=O ZINC000409098073 559240674 /nfs/dbraw/zinc/24/06/74/559240674.db2.gz NFQZDDZLQQEUOK-UJFYRASASA-N 0 0 416.411 3.761 40 5 HHBBRN O=C1N/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccccc1 ZINC000409351170 559248225 /nfs/dbraw/zinc/24/82/25/559248225.db2.gz ZUZZFRVOWPBVIY-CPNJWEJPSA-N 0 0 402.410 3.538 40 5 HHBBRN O=C(CN1C(=O)SC(=Cc2c[nH]c3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409357723 559248370 /nfs/dbraw/zinc/24/83/70/559248370.db2.gz QYWFDGGACMWETI-GIJQJNRQSA-N 0 0 407.407 3.995 40 5 HHBBRN COc1ccc(Cn2c(Cc3ccccc3)nc3ccc([N+](=O)[O-])cc3c2=O)cc1 ZINC000001372450 560578131 /nfs/dbraw/zinc/57/81/31/560578131.db2.gz ISHFTYKVSXWHAK-UHFFFAOYSA-N 0 0 401.422 3.952 40 5 HHBBRN Cc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004953294 560617231 /nfs/dbraw/zinc/61/72/31/560617231.db2.gz SQWJNTSBVWFYLS-QGZVFWFLSA-N 0 0 416.890 3.988 40 5 HHBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc([N+](=O)[O-])c(OC)cc3OC)S2)cc1 ZINC000408777292 560640031 /nfs/dbraw/zinc/64/00/31/560640031.db2.gz XUOQCFFDOLDDLG-JZVSFUAJSA-N 0 0 415.471 3.774 40 5 HHBBRN O=C(c1ccc2[nH]c3nc4ccccc4nc3c2c1)N1CCN(c2ccccn2)CC1 ZINC000408977945 560660682 /nfs/dbraw/zinc/66/06/82/560660682.db2.gz ZXQGMGUTOOCJNA-UHFFFAOYSA-N 0 0 408.465 3.622 40 5 HHBBRN S=C(Nc1cc2ccncc2c2ncccc12)N1CCN(c2ccccn2)CC1 ZINC000408977506 560660693 /nfs/dbraw/zinc/66/06/93/560660693.db2.gz VYLXXLVLRPEGIF-UHFFFAOYSA-N 0 0 400.511 3.697 40 5 HHBBRN CC(C)CNC(=O)c1ccccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000409127185 560681196 /nfs/dbraw/zinc/68/11/96/560681196.db2.gz QHQFOOFXUONTJC-UHFFFAOYSA-N 0 0 401.488 3.853 40 5 HHBBRN CCOc1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)cc1 ZINC000409148176 560683756 /nfs/dbraw/zinc/68/37/56/560683756.db2.gz XNEHKRHINXXXLZ-UHFFFAOYSA-N 0 0 413.459 3.520 40 5 HHBBRN O=C1S/C(=C/c2cc3ccccc3oc2=O)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000409353899 560714212 /nfs/dbraw/zinc/71/42/12/560714212.db2.gz UHSHKUWPHWIVPW-LICLKQGHSA-N 0 0 408.391 3.938 40 5 HHBBRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000409363018 560715057 /nfs/dbraw/zinc/71/50/57/560715057.db2.gz STQZPYVDSGKNEI-LICLKQGHSA-N 0 0 411.439 3.887 40 5 HHBBRN Cc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000005549153 560738026 /nfs/dbraw/zinc/73/80/26/560738026.db2.gz ZCOPGHPDWGMNPY-LQDNNDEMSA-N 0 0 410.429 3.780 40 5 HHBBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-] ZINC000100918350 560762552 /nfs/dbraw/zinc/76/25/52/560762552.db2.gz INEDVKVVWCQTTM-HBMCJLEFSA-N 0 0 415.405 3.646 40 5 HHBBRN Cc1cccc(C)c1NC(=O)[C@@H](NC(=O)c1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000000792638 568479517 /nfs/dbraw/zinc/47/95/17/568479517.db2.gz JYLVZVJZHBAPNU-FQEVSTJZSA-N 0 0 404.426 3.716 40 5 HHBBRN CS(=O)(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(Cl)c1 ZINC000020104211 568587879 /nfs/dbraw/zinc/58/78/79/568587879.db2.gz KXVZCCCZMAYSLR-UHFFFAOYSA-N 0 0 404.231 3.525 40 5 HHBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225460958 568640129 /nfs/dbraw/zinc/64/01/29/568640129.db2.gz LIQXFFGTSUMQTF-YLJYHZDGSA-N 0 0 411.502 3.859 40 5 HHBBRN Cc1cc(C)c(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1 ZINC000222363273 568751392 /nfs/dbraw/zinc/75/13/92/568751392.db2.gz WPEMRTUONLIVDC-UHFFFAOYSA-N 0 0 419.503 3.705 40 5 HHBBRN Cc1ccc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C ZINC000222372040 568752628 /nfs/dbraw/zinc/75/26/28/568752628.db2.gz XAQUUIHNPQTFKY-UHFFFAOYSA-N 0 0 419.503 3.705 40 5 HHBBRN Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](C)C(=O)NC(C)(C)C ZINC000222678721 568767703 /nfs/dbraw/zinc/76/77/03/568767703.db2.gz QAXCRMSQMQLAJE-KRWDZBQOSA-N 0 0 411.502 3.778 40 5 HHBBRN CCOCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 ZINC000225564527 568773792 /nfs/dbraw/zinc/77/37/92/568773792.db2.gz GKICOCOSJUXWNC-UHFFFAOYSA-N 0 0 414.458 3.697 40 5 HHBBRN Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nn12 ZINC000057313673 568826381 /nfs/dbraw/zinc/82/63/81/568826381.db2.gz NJEUEYSCXFGHQD-UHFFFAOYSA-N 0 0 414.834 3.975 40 5 HHBBRN COC(=O)c1ccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000005960088 568831821 /nfs/dbraw/zinc/83/18/21/568831821.db2.gz BKPKJRJDOQDQDN-YVLHZVERSA-N 0 0 412.423 3.926 40 5 HHBBRN CC[C@@H](C)NC(=O)[C@H]1C[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000058161747 568894228 /nfs/dbraw/zinc/89/42/28/568894228.db2.gz VEKGSQZLJLIFBP-GUXCAODWSA-N 0 0 409.486 3.961 40 5 HHBBRN Cc1cc(C)c(NC(=O)CSc2nnc(COc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000059212943 568946771 /nfs/dbraw/zinc/94/67/71/568946771.db2.gz RQHZLHIXOBMFIB-UHFFFAOYSA-N 0 0 414.443 3.904 40 5 HHBBRN Cc1ccc(OCCNC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C ZINC000059417123 568953203 /nfs/dbraw/zinc/95/32/03/568953203.db2.gz XHDUZJNFQNIVJU-UHFFFAOYSA-N 0 0 412.364 3.804 40 5 HHBBRN CC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000059474815 568955692 /nfs/dbraw/zinc/95/56/92/568955692.db2.gz FVXYUXSDXASLPU-UHFFFAOYSA-N 0 0 402.457 3.894 40 5 HHBBRN Cc1ccc(NC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000016293114 569030454 /nfs/dbraw/zinc/03/04/54/569030454.db2.gz VSUAPFHOFXSQRB-UHFFFAOYSA-N 0 0 418.456 3.837 40 5 HHBBRN CCC(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CC1 ZINC000006569672 569065985 /nfs/dbraw/zinc/06/59/85/569065985.db2.gz GKSJNWCXCIOKNX-UHFFFAOYSA-N 0 0 416.865 3.559 40 5 HHBBRN Cc1cn(C)nc1/C=C(\c1nnc(-c2ccccc2)o1)n1nc(C)c([N+](=O)[O-])c1C ZINC000006790084 569120414 /nfs/dbraw/zinc/12/04/14/569120414.db2.gz WNBULSGFJIUKRF-LICLKQGHSA-N 0 0 405.418 3.546 40 5 HHBBRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000007388110 569235846 /nfs/dbraw/zinc/23/58/46/569235846.db2.gz JQCHZNFZPHUSDZ-UHFFFAOYSA-N 0 0 410.474 3.542 40 5 HHBBRN COc1ccc(C(=O)NC(=S)Nc2nc3c(s2)c(C)ccc3C)cc1[N+](=O)[O-] ZINC000017090642 569273944 /nfs/dbraw/zinc/27/39/44/569273944.db2.gz KLKAJUYOOJFWJO-UHFFFAOYSA-N 0 0 416.484 3.957 40 5 HHBBRN CN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225035467 569323449 /nfs/dbraw/zinc/32/34/49/569323449.db2.gz BAAUTDUOWBJVPT-UHFFFAOYSA-N 0 0 405.657 3.836 40 5 HHBBRN CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225093034 569325355 /nfs/dbraw/zinc/32/53/55/569325355.db2.gz SUCPDFUKBNRLID-UHFFFAOYSA-N 0 0 414.867 3.789 40 5 HHBBRN CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccccc4[N+](=O)[O-])c3)nn12 ZINC000006225996 569330067 /nfs/dbraw/zinc/33/00/67/569330067.db2.gz NGHPSTMKBAWIBY-UHFFFAOYSA-N 0 0 408.443 3.884 40 5 HHBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000008475225 569341288 /nfs/dbraw/zinc/34/12/88/569341288.db2.gz PQUNIMCZYHTBBV-UIAACRFSSA-N 0 0 421.453 3.573 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C ZINC000225153725 569367085 /nfs/dbraw/zinc/36/70/85/569367085.db2.gz AHSHXKDZUNUNPN-UHFFFAOYSA-N 0 0 407.473 3.661 40 5 HHBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000009231901 569391980 /nfs/dbraw/zinc/39/19/80/569391980.db2.gz UQXDRJRVHNGCHG-GFCCVEGCSA-N 0 0 418.247 3.657 40 5 HHBBRN O=C(COC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1Cl ZINC000009765462 569394011 /nfs/dbraw/zinc/39/40/11/569394011.db2.gz CGDFEJQZHWSIHX-UHFFFAOYSA-N 0 0 413.611 3.806 40 5 HHBBRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O ZINC000208492378 569394017 /nfs/dbraw/zinc/39/40/17/569394017.db2.gz MOSUPAIZQQWIDQ-CXUHLZMHSA-N 0 0 416.411 3.763 40 5 HHBBRN O=C(C[C@]1(O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1cccs1 ZINC000012377266 569400707 /nfs/dbraw/zinc/40/07/07/569400707.db2.gz QDPJYAYRFCCQLN-OAQYLSRUSA-N 0 0 408.435 3.664 40 5 HHBBRN Cc1sc2ncn3c(SCC(=O)Nc4ccccc4[N+](=O)[O-])nnc3c2c1C ZINC000012491034 569401513 /nfs/dbraw/zinc/40/15/13/569401513.db2.gz PGAONPFFKRTKNA-UHFFFAOYSA-N 0 0 414.472 3.595 40 5 HHBBRN COc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c([N+](=O)[O-])cc1OC ZINC000260778221 569409759 /nfs/dbraw/zinc/40/97/59/569409759.db2.gz RKDFNWFYSMGGEV-HWOJHCLVSA-N 0 0 400.460 3.596 40 5 HHBBRN COc1ccc(C(=O)Oc2ccc(O)c(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000019075481 569414239 /nfs/dbraw/zinc/41/42/39/569414239.db2.gz UZOZOPNHQTVNRQ-UHFFFAOYSA-N 0 0 423.377 3.885 40 5 HHBBRN O=[N+]([O-])c1ccccc1CNc1cc(-c2cccnc2)nc(NC2CCCCC2)n1 ZINC000329050054 569424104 /nfs/dbraw/zinc/42/41/04/569424104.db2.gz USICYBZTZMTUSM-UHFFFAOYSA-N 0 0 404.474 3.647 40 5 HHBBRN COc1cccc(CNC(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000408615834 557542080 /nfs/dbraw/zinc/54/20/80/557542080.db2.gz SSOXYBIMBCGNKP-UHFFFAOYSA-N 0 0 405.410 3.786 40 5 HHBBRN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716625 558857931 /nfs/dbraw/zinc/85/79/31/558857931.db2.gz CBBAXGKKZVJQBB-IBGZPJMESA-N 0 0 419.503 3.703 40 5 HHBBRN CCCC(=O)Nc1cccc(NC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)c1 ZINC000004677020 558881237 /nfs/dbraw/zinc/88/12/37/558881237.db2.gz VTTCPPQJLPYSAX-ZHACJKMWSA-N 0 0 412.471 3.860 40 5 HHBBRN O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1cccc(I)c1 ZINC000013925570 558942546 /nfs/dbraw/zinc/94/25/46/558942546.db2.gz RRTBIRCECFTZHJ-ZROIWOOFSA-N 0 0 420.162 3.544 40 5 HHBBRN Cc1cc(C)cc(Oc2cc([N+](=O)[O-])cc(N3C(=O)[C@H]4[C@H]5CC[C@H](O5)[C@@H]4C3=O)c2)c1 ZINC000013960335 559033253 /nfs/dbraw/zinc/03/32/53/559033253.db2.gz TVGGSYRIBDYTRP-YRPNKDGESA-N 0 0 408.410 3.671 40 5 HHBBRN CCc1cccc(C)c1NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000220388842 559068467 /nfs/dbraw/zinc/06/84/67/559068467.db2.gz YEAIADITWVHDJO-HNNXBMFYSA-N 0 0 419.503 3.567 40 5 HHBBRN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220543365 559173403 /nfs/dbraw/zinc/17/34/03/559173403.db2.gz MRDWTVMQMOORKU-SFHVURJKSA-N 0 0 419.503 3.703 40 5 HHBBRN COc1cc(NC(=O)CSc2n[nH]c(-c3ccc(Cl)cc3)n2)ccc1[N+](=O)[O-] ZINC000408553916 559218070 /nfs/dbraw/zinc/21/80/70/559218070.db2.gz RNXQJYGFHXRSPV-UHFFFAOYSA-N 0 0 419.850 3.773 40 5 HHBBRN Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1Br ZINC000408644339 559223177 /nfs/dbraw/zinc/22/31/77/559223177.db2.gz SPHCPLAUCQTNRI-LBPRGKRZSA-N 0 0 418.247 3.657 40 5 HHBBRN O=C(COC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Br)c(Cl)c1 ZINC000408646973 559223197 /nfs/dbraw/zinc/22/31/97/559223197.db2.gz QSCMIDAWCDMOKK-UHFFFAOYSA-N 0 0 413.611 3.806 40 5 HHBBRN CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000408686152 559224624 /nfs/dbraw/zinc/22/46/24/559224624.db2.gz SCPPVUITDRHANX-SJLPKXTDSA-N 0 0 405.410 3.693 40 5 HHBBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccccc2)C(=O)N1c1ccccc1[N+](=O)[O-] ZINC000004993557 559225176 /nfs/dbraw/zinc/22/51/76/559225176.db2.gz INEDVKVVWCQTTM-NJYVYQBISA-N 0 0 415.405 3.646 40 5 HHBBRN CCc1ccc(C2=NN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000409100399 559240673 /nfs/dbraw/zinc/24/06/73/559240673.db2.gz VRSDUCQWMDMMCS-IBGZPJMESA-N 0 0 421.375 3.587 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1nc(COc2ccccc2)oc1=S ZINC000409165301 559243263 /nfs/dbraw/zinc/24/32/63/559243263.db2.gz WBSYSCNYKOHZGB-UHFFFAOYSA-N 0 0 400.416 3.640 40 5 HHBBRN O=C(OC/C(=C\Cl)OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000005182410 559289591 /nfs/dbraw/zinc/28/95/91/559289591.db2.gz MWAHPPQBLQTKSF-OQLLNIDSSA-N 0 0 406.734 3.597 40 5 HHBBRN COc1cc(Br)c(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1OC ZINC000005371874 560573648 /nfs/dbraw/zinc/57/36/48/560573648.db2.gz MPYRUHNKHJCAEP-UHFFFAOYSA-N 0 0 407.220 3.577 40 5 HHBBRN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000004966583 560621731 /nfs/dbraw/zinc/62/17/31/560621731.db2.gz URAMYJDYYHYJJG-UHFFFAOYSA-N 0 0 403.485 3.773 40 5 HHBBRN Cc1cccc(OCc2nn(CC(=O)Nc3ccc([N+](=O)[O-])cc3C)c(=S)o2)c1 ZINC000409157064 560685573 /nfs/dbraw/zinc/68/55/73/560685573.db2.gz VIPAMVZOYOGUIQ-UHFFFAOYSA-N 0 0 414.443 3.948 40 5 HHBBRN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)o1 ZINC000409347359 560713134 /nfs/dbraw/zinc/71/31/34/560713134.db2.gz LXNJHSDRKUYSLE-UTCJRWHESA-N 0 0 404.722 3.788 40 5 HHBBRN CC1CCN(C(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)CC1 ZINC000409360442 560716000 /nfs/dbraw/zinc/71/60/00/560716000.db2.gz PXESQSHXUXBDKO-DHDCSXOGSA-N 0 0 423.878 3.543 40 5 HHBBRN CN1C(=O)S/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000409360809 560716152 /nfs/dbraw/zinc/71/61/52/560716152.db2.gz PZXOTRSWNZVXAO-OVCLIPMQSA-N 0 0 401.356 3.961 40 5 HHBBRN CCCCc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 ZINC000220030818 568501292 /nfs/dbraw/zinc/50/12/92/568501292.db2.gz AFDNAYQJLKSBAL-UHFFFAOYSA-N 0 0 419.503 3.651 40 5 HHBBRN CC(C)CNC(=O)c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1 ZINC000000845305 568543116 /nfs/dbraw/zinc/54/31/16/568543116.db2.gz HQYAHBYBXVAJBE-UHFFFAOYSA-N 0 0 407.352 3.709 40 5 HHBBRN COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c2cccnc12 ZINC000225872840 568682588 /nfs/dbraw/zinc/68/25/88/568682588.db2.gz OHLBSSQSUUEZDC-UHFFFAOYSA-N 0 0 407.426 3.839 40 5 HHBBRN O=C(Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1)N(c1ccccc1)c1ccccc1 ZINC000000869953 568713859 /nfs/dbraw/zinc/71/38/59/568713859.db2.gz OOTVMAGAVVRLOX-UHFFFAOYSA-N 0 0 400.398 3.613 40 5 HHBBRN CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3n2)cc1 ZINC000000885983 568736767 /nfs/dbraw/zinc/73/67/67/568736767.db2.gz ZDLRNNDSTFSECZ-UHFFFAOYSA-N 0 0 403.398 3.980 40 5 HHBBRN CCc1ccc(NC(=O)[C@@H](CC)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000222533906 568762818 /nfs/dbraw/zinc/76/28/18/568762818.db2.gz DLXMXZZBJYUHKX-GOSISDBHSA-N 0 0 419.503 3.649 40 5 HHBBRN COc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c([N+](=O)[O-])cc1OC ZINC000222565594 568763735 /nfs/dbraw/zinc/76/37/35/568763735.db2.gz RKDFNWFYSMGGEV-PDSMFRHLSA-N 0 0 400.460 3.596 40 5 HHBBRN CC(C)c1ccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000222684062 568767881 /nfs/dbraw/zinc/76/78/81/568767881.db2.gz WSLIVQSTPWVWDR-UHFFFAOYSA-N 0 0 419.503 3.903 40 5 HHBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)n2cc(C(N)=O)c3ccccc32)o1 ZINC000226769181 568823493 /nfs/dbraw/zinc/82/34/93/568823493.db2.gz LWGYLGWDOZELJO-UHFFFAOYSA-N 0 0 405.366 3.606 40 5 HHBBRN Cc1cc(C(=O)NCc2nc(-c3cccc(Br)c3)no2)ccc1[N+](=O)[O-] ZINC000218133668 568926380 /nfs/dbraw/zinc/92/63/80/568926380.db2.gz SLPNJIYYUSVXGO-UHFFFAOYSA-N 0 0 417.219 3.646 40 5 HHBBRN CCOC(=O)Nc1cc(NCC(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c(N)n1 ZINC000031771932 568930684 /nfs/dbraw/zinc/93/06/84/568930684.db2.gz OMUCBWCEISFLOJ-UHFFFAOYSA-N 0 0 409.402 3.588 40 5 HHBBRN O=C(Nc1ccc(I)cn1)c1ccc([N+](=O)[O-])cc1Cl ZINC000218889671 568935258 /nfs/dbraw/zinc/93/52/58/568935258.db2.gz GTESILFBFHFAML-UHFFFAOYSA-N 0 0 403.563 3.500 40 5 HHBBRN Cc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000059294387 568950241 /nfs/dbraw/zinc/95/02/41/568950241.db2.gz WMMOKWVOYWWRKW-UHFFFAOYSA-N 0 0 424.438 3.875 40 5 HHBBRN CC(C)N1C(=O)[C@H]2[C@H](ON(c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)C1=O ZINC000004301692 568959991 /nfs/dbraw/zinc/95/99/91/568959991.db2.gz NOMVSDQTOAIXOV-KURKYZTESA-N 0 0 415.833 3.503 40 5 HHBBRN Cc1c(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cccc1[N+](=O)[O-] ZINC000008330925 568993171 /nfs/dbraw/zinc/99/31/71/568993171.db2.gz IHTMFRMNUQZXIY-UHFFFAOYSA-N 0 0 401.378 3.956 40 5 HHBBRN Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223794971 569031712 /nfs/dbraw/zinc/03/17/12/569031712.db2.gz SSLBSUSILJHMOV-GOSISDBHSA-N 0 0 423.513 3.922 40 5 HHBBRN O=C(CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)Nc1ccccc1[N+](=O)[O-] ZINC000006446080 569052678 /nfs/dbraw/zinc/05/26/78/569052678.db2.gz YSPJMQWEZZLQOP-UHFFFAOYSA-N 0 0 416.484 3.502 40 5 HHBBRN O=C(COc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13)NCc1ccco1 ZINC000008792123 569061236 /nfs/dbraw/zinc/06/12/36/569061236.db2.gz MWWRMDQOQVGRFT-UHFFFAOYSA-N 0 0 423.428 3.880 40 5 biogenic HHBBRN Cc1nn(C(=O)Cc2ccccc2)c2c1[C@@H](c1ccccc1[N+](=O)[O-])SC(=N)N2 ZINC000016958308 569268802 /nfs/dbraw/zinc/26/88/02/569268802.db2.gz UMYAYJQJVGJRLG-GOSISDBHSA-N 0 0 407.455 3.765 40 5 HHBBRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc2nn(-c3ccccc3)nc2cc1Cl ZINC000017093709 569274162 /nfs/dbraw/zinc/27/41/62/569274162.db2.gz UCUHJKNSWXTHMX-UHFFFAOYSA-N 0 0 423.816 4.000 40 5 HHBBRN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000017093306 569274392 /nfs/dbraw/zinc/27/43/92/569274392.db2.gz LDYAIODXKBYYDS-UHFFFAOYSA-N 0 0 422.875 3.993 40 5 HHBBRN CN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224756975 569287417 /nfs/dbraw/zinc/28/74/17/569287417.db2.gz QFTORDAKPILMDQ-UHFFFAOYSA-N 0 0 405.657 3.836 40 5 HHBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225017062 569323456 /nfs/dbraw/zinc/32/34/56/569323456.db2.gz WPAQSTCOAVBEQS-MSOLQXFVSA-N 0 0 411.502 3.778 40 5 HHBBRN CCN(c1cc(C(=O)OC)ccc1Cl)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225089877 569325108 /nfs/dbraw/zinc/32/51/08/569325108.db2.gz HSPPPWCHGKGTJP-UHFFFAOYSA-N 0 0 412.851 3.558 40 5 HHBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1N1C(=O)c2ccccc2C1=O ZINC000006598403 569333753 /nfs/dbraw/zinc/33/37/53/569333753.db2.gz SKQOMNHZHFLFCO-UHFFFAOYSA-N 0 0 402.362 3.752 40 5 HHBBRN Cc1cccc(C)c1NC(=O)COC(=O)CCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000008412967 569340385 /nfs/dbraw/zinc/34/03/85/569340385.db2.gz ONHVFHMCQZWVBC-UHFFFAOYSA-N 0 0 413.430 3.502 40 5 HHBBRN Cc1ccc(C)c(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000008417245 569340700 /nfs/dbraw/zinc/34/07/00/569340700.db2.gz TYBAUMBZTMVJRZ-UHFFFAOYSA-N 0 0 413.430 3.502 40 5 HHBBRN O=C(COC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Br)cc1Cl ZINC000009754446 569342535 /nfs/dbraw/zinc/34/25/35/569342535.db2.gz RGAJKWFLRTUMES-UHFFFAOYSA-N 0 0 413.611 3.806 40 5 HHBBRN Cc1ccc(OCc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2C)c(C)c1 ZINC000033719058 569351147 /nfs/dbraw/zinc/35/11/47/569351147.db2.gz AYNOYBOAOCIEBC-UHFFFAOYSA-N 0 0 412.471 3.894 40 5 HHBBRN O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000107974971 569353217 /nfs/dbraw/zinc/35/32/17/569353217.db2.gz NQEBKYUJUPUPAE-UHFFFAOYSA-N 0 0 412.383 3.890 40 5 HHBBRN CCOc1cc(/C=C\[N+](=O)[O-])ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000107978013 569353219 /nfs/dbraw/zinc/35/32/19/569353219.db2.gz ZEUYWVJDZQCIPZ-HJWRWDBZSA-N 0 0 403.387 3.578 40 5 HHBBRN CCN(CC)C(=O)[C@H]1CCCN(C(=O)Nc2cc3ncccc3c3cccnc23)C1 ZINC000108014271 569353290 /nfs/dbraw/zinc/35/32/90/569353290.db2.gz CHABYFBMFMHOMU-INIZCTEOSA-N 0 0 405.502 3.895 40 5 HHBBRN O=[N+]([O-])c1ccc(Cl)cc1Nc1cc(C(F)(F)F)nc(NC2CCCC2)n1 ZINC000328959481 569422762 /nfs/dbraw/zinc/42/27/62/569422762.db2.gz AULBIPPPYCAJDE-UHFFFAOYSA-N 0 0 401.776 3.999 40 5 HHBBRN Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000008571639 571082384 /nfs/dbraw/zinc/08/23/84/571082384.db2.gz VLPQQEUBNFPGOO-UHFFFAOYSA-N 0 0 414.443 3.904 40 5 HHBBRN CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000039761735 571134310 /nfs/dbraw/zinc/13/43/10/571134310.db2.gz SLMZRWMOZBDAOA-UHFFFAOYSA-N 0 0 409.402 3.882 40 5 HHBBRN CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000039761950 571134372 /nfs/dbraw/zinc/13/43/72/571134372.db2.gz NSMJFALJGLIFGG-UHFFFAOYSA-N 0 0 409.402 3.882 40 5 HHBBRN CC(C)C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000006238756 132309668 /nfs/dbraw/zinc/30/96/68/132309668.db2.gz GRBYJNJTJDKPTF-IZZDOVSWSA-N 0 0 422.485 3.551 40 5 HHBBRN COc1ccc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1Cl ZINC000006953618 132321665 /nfs/dbraw/zinc/32/16/65/132321665.db2.gz DECZRKNFBJMNEP-UHFFFAOYSA-N 0 0 410.257 3.873 40 5 HHBBRN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1N1CCCCS1(=O)=O ZINC000021756454 132473018 /nfs/dbraw/zinc/47/30/18/132473018.db2.gz WUBQSQPGWZYUHF-UHFFFAOYSA-N 0 0 423.878 3.739 40 5 HHBBRN CC(C)(C)OC(=O)N1CC[C@H](Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000044713525 518816142 /nfs/dbraw/zinc/81/61/42/518816142.db2.gz DBLXCJSPHCRQFO-JTQLQIEISA-N 0 0 421.328 3.910 40 5 HHBBRN COC(=O)c1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1 ZINC000408576135 557479359 /nfs/dbraw/zinc/47/93/59/557479359.db2.gz XJSJSVXDFPZFNV-SFHVURJKSA-N 0 0 412.471 3.781 40 5 HHBBRN CCOC(=O)c1cc2cc3cc(C(=O)OCC)c(C)nc3c(NC(C)=O)c2nc1C ZINC000003845542 557500414 /nfs/dbraw/zinc/50/04/14/557500414.db2.gz ACPNIVIQLXUPFV-UHFFFAOYSA-N 0 0 409.442 3.712 40 5 HHBBRN COc1cc(OCC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)ccc1[N+](=O)[O-] ZINC000219827756 558299370 /nfs/dbraw/zinc/29/93/70/558299370.db2.gz FSPXIAVPERHUIX-INIZCTEOSA-N 0 0 400.431 3.709 40 5 HHBBRN CN(c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1cccs1 ZINC000013679597 558854325 /nfs/dbraw/zinc/85/43/25/558854325.db2.gz IRBCHZLUMVSGMK-UHFFFAOYSA-N 0 0 417.468 3.734 40 5 HHBBRN O=C1[C@@H]2[C@H](c3ccccc3)N(c3cccc([N+](=O)[O-])c3)O[C@@H]2C(=O)N1c1ccccc1 ZINC000013770224 558867715 /nfs/dbraw/zinc/86/77/15/558867715.db2.gz KLSOIPVTUNNHBD-HKBOAZHASA-N 0 0 415.405 3.646 40 5 HHBBRN CCSc1ccccc1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220422693 559078702 /nfs/dbraw/zinc/07/87/02/559078702.db2.gz QRVRXNAQPJBJIJ-ZDUSSCGKSA-N 0 0 423.516 3.500 40 5 HHBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc([N+](=O)[O-])ccc2Cl)n2nc(C)nc2N1 ZINC000014163449 559154362 /nfs/dbraw/zinc/15/43/62/559154362.db2.gz VOBQBAQRVGUBEV-INIZCTEOSA-N 0 0 405.842 3.780 40 5 HHBBRN COc1ccc(OC)c(-c2ccc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)nn2)c1 ZINC000408534274 559216683 /nfs/dbraw/zinc/21/66/83/559216683.db2.gz URTYIVCLEMDILL-UHFFFAOYSA-N 0 0 415.789 3.942 40 5 HHBBRN O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000408533057 559216855 /nfs/dbraw/zinc/21/68/55/559216855.db2.gz NZMXHIDCLICSPH-ZZXKWVIFSA-N 0 0 403.192 3.591 40 5 HHBBRN CCn1c(Sc2ncccc2[N+](=O)[O-])nnc1-c1cc(Br)ccc1O ZINC000408604430 559220988 /nfs/dbraw/zinc/22/09/88/559220988.db2.gz IYVMCUUEJXYRBC-UHFFFAOYSA-N 0 0 422.264 3.888 40 5 HHBBRN O=C(CCCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1 ZINC000408665270 559223637 /nfs/dbraw/zinc/22/36/37/559223637.db2.gz LCIACPVEVHWECO-UHFFFAOYSA-N 0 0 419.821 3.539 40 5 HHBBRN CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@@H]2C1 ZINC000408684151 559224622 /nfs/dbraw/zinc/22/46/22/559224622.db2.gz OFSWQTKNSOKEPK-RTBURBONSA-N 0 0 405.410 3.693 40 5 HHBBRN CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4cccc([N+](=O)[O-])c4)c3)C(=O)[C@@H]2C1 ZINC000408689415 559224649 /nfs/dbraw/zinc/22/46/49/559224649.db2.gz YYHXWNMYBYUAHQ-RBUKOAKNSA-N 0 0 405.410 3.693 40 5 HHBBRN C[C@H]1CC[C@H]2C(=O)N(c3cccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3)C(=O)[C@@H]2C1 ZINC000100580374 559235480 /nfs/dbraw/zinc/23/54/80/559235480.db2.gz MXMQSSRBPPKJAF-MJXNMMHHSA-N 0 0 408.410 3.740 40 5 HHBBRN COc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)o2)c([N+](=O)[O-])c1 ZINC000005434688 560587138 /nfs/dbraw/zinc/58/71/38/560587138.db2.gz DRIWOLSUPSYFJR-UHFFFAOYSA-N 0 0 400.416 3.693 40 5 HHBBRN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2([N+](=O)[O-])c4ccccc4C3c3ccccc32)cc1 ZINC000005544360 560607244 /nfs/dbraw/zinc/60/72/44/560607244.db2.gz IGTVEUKVEWXCRB-LQDNNDEMSA-N 0 0 410.429 3.780 40 5 HHBBRN COCCN(C(=O)c1cccc([N+](=O)[O-])c1)c1nnc(-c2ccc(F)cc2)s1 ZINC000004880369 560614562 /nfs/dbraw/zinc/61/45/62/560614562.db2.gz CXXCFVMPNXMOKA-UHFFFAOYSA-N 0 0 402.407 3.546 40 5 HHBBRN CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409124291 560680726 /nfs/dbraw/zinc/68/07/26/560680726.db2.gz AUCNYFMDUDHZJO-UHFFFAOYSA-N 0 0 413.459 3.613 40 5 HHBBRN Cc1ccc(OCc2nn(CC(=O)Nc3ccccc3[N+](=O)[O-])c(=S)o2)cc1 ZINC000409163133 560685840 /nfs/dbraw/zinc/68/58/40/560685840.db2.gz MFTNPYQUZMWZEC-UHFFFAOYSA-N 0 0 400.416 3.640 40 5 HHBBRN COc1ccccc1OC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409172924 560686732 /nfs/dbraw/zinc/68/67/32/560686732.db2.gz JKQKQILOWMPDDR-UHFFFAOYSA-N 0 0 413.407 3.655 40 5 HHBBRN COc1cccc(OC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000409178775 560687732 /nfs/dbraw/zinc/68/77/32/560687732.db2.gz IEFZLJYTQPEVME-UHFFFAOYSA-N 0 0 413.407 3.655 40 5 HHBBRN COc1cccc(OC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000006470687 560742388 /nfs/dbraw/zinc/74/23/88/560742388.db2.gz AYYDNKCPAQWQDO-UHFFFAOYSA-N 0 0 413.407 3.655 40 5 HHBBRN CC(C)C[C@@H](c1nnnn1C1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000057669619 568494401 /nfs/dbraw/zinc/49/44/01/568494401.db2.gz KQCIHCOQUSQOTF-FQEVSTJZSA-N 0 0 413.526 3.606 40 5 HHBBRN CCC1=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@](O)(c2ccc(Br)cc2)C1 ZINC000000840557 568521391 /nfs/dbraw/zinc/52/13/91/568521391.db2.gz VQNALFZRPHYSHM-SFHVURJKSA-N 0 0 418.247 3.815 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O ZINC000020063202 568586870 /nfs/dbraw/zinc/58/68/70/568586870.db2.gz UXFWWCWJUHDGGC-UHFFFAOYSA-N 0 0 423.450 3.718 40 5 HHBBRN COc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3n2)cc1Cl ZINC000020610800 568636500 /nfs/dbraw/zinc/63/65/00/568636500.db2.gz KBHCOQAGAFLIES-UHFFFAOYSA-N 0 0 413.777 3.836 40 5 HHBBRN Cc1nnc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)n1Cc1ccccc1 ZINC000000877771 568726399 /nfs/dbraw/zinc/72/63/99/568726399.db2.gz SARHJXUYATXTAN-CQSZACIVSA-N 0 0 411.487 3.971 40 5 HHBBRN COc1cc(OC)c([N+](=O)[O-])cc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 ZINC000260753058 568737529 /nfs/dbraw/zinc/73/75/29/568737529.db2.gz BBEXCTUEDSFGBB-CNOZUTPLSA-N 0 0 400.460 3.596 40 5 HHBBRN O=C(Nc1ccc(I)cn1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000096957116 568765765 /nfs/dbraw/zinc/76/57/65/568765765.db2.gz VRLKDDCEADWIJP-UHFFFAOYSA-N 0 0 403.563 3.500 40 5 HHBBRN COc1ccc2c(c1OC)C(=O)N(c1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1)C2 ZINC000002800240 568809631 /nfs/dbraw/zinc/80/96/31/568809631.db2.gz WXMJBIOYUBGNIU-UHFFFAOYSA-N 0 0 412.320 3.714 40 5 HHBBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000223035790 568909929 /nfs/dbraw/zinc/90/99/29/568909929.db2.gz DTAVDRXSOZONKF-VQTJNVASSA-N 0 0 424.482 3.869 40 5 HHBBRN CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000217868342 568916703 /nfs/dbraw/zinc/91/67/03/568916703.db2.gz XRGWGWZEDFJVSP-UHFFFAOYSA-N 0 0 417.219 3.680 40 5 HHBBRN CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000032114716 568945491 /nfs/dbraw/zinc/94/54/91/568945491.db2.gz OTPNLMCHBZIXSU-UHFFFAOYSA-N 0 0 420.878 3.970 40 5 HHBBRN Cc1c(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)c(=O)n(-c2ccccc2)n1C ZINC000006177568 569016806 /nfs/dbraw/zinc/01/68/06/569016806.db2.gz YIKGGSZHBFEMLE-UHFFFAOYSA-N 0 0 420.385 3.593 40 5 HHBBRN COC(=O)C(CCc1ccc([N+](=O)[O-])cc1)(CCc1ccc([N+](=O)[O-])cc1)C(C)=O ZINC000001666532 569031739 /nfs/dbraw/zinc/03/17/39/569031739.db2.gz YNSBZUQDKWDXRD-UHFFFAOYSA-N 0 0 414.414 3.817 40 5 HHBBRN O=[N+]([O-])c1ccc(NC(=S)NCC2(c3cccc(Cl)c3)CCOCC2)nc1 ZINC000224019916 569034466 /nfs/dbraw/zinc/03/44/66/569034466.db2.gz PWLPYJGBKFYSTQ-UHFFFAOYSA-N 0 0 406.895 3.678 40 5 HHBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccco1 ZINC000006356576 569045022 /nfs/dbraw/zinc/04/50/22/569045022.db2.gz FCKGXTWOERABIZ-UHFFFAOYSA-N 0 0 407.839 3.850 40 5 HHBBRN O=C(Nc1cc([N+](=O)[O-])ccc1N(CCO)C(=O)c1cccs1)c1cccs1 ZINC000016430558 569050207 /nfs/dbraw/zinc/05/02/07/569050207.db2.gz JMGWGQWXRYGDRZ-UHFFFAOYSA-N 0 0 417.468 3.609 40 5 HHBBRN C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224079823 569051889 /nfs/dbraw/zinc/05/18/89/569051889.db2.gz GGFQYGUDCTZPJW-GOSISDBHSA-N 0 0 423.513 3.656 40 5 HHBBRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccccc1 ZINC000138429352 569103801 /nfs/dbraw/zinc/10/38/01/569103801.db2.gz FKTXAJQBICUBOF-ACRUOGEOSA-N 0 0 415.405 3.646 40 5 HHBBRN O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)N1C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000138587275 569146338 /nfs/dbraw/zinc/14/63/38/569146338.db2.gz VKIRJIZHXLRABL-ZCQKWSGTSA-N 0 0 417.377 3.952 40 5 HHBBRN Cc1cc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000007387898 569235866 /nfs/dbraw/zinc/23/58/66/569235866.db2.gz WQMQNDLPBWEKPV-UHFFFAOYSA-N 0 0 424.501 3.850 40 5 HHBBRN Cc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1[N+](=O)[O-] ZINC000017082151 569273019 /nfs/dbraw/zinc/27/30/19/569273019.db2.gz LPQBFNCTKYJERA-UHFFFAOYSA-N 0 0 401.378 3.956 40 5 HHBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000017088108 569273770 /nfs/dbraw/zinc/27/37/70/569273770.db2.gz DTOGJOACSDQNHO-UHFFFAOYSA-N 0 0 408.823 3.900 40 5 HHBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017092436 569273772 /nfs/dbraw/zinc/27/37/72/569273772.db2.gz GVTGUWSJRLIUND-UHFFFAOYSA-N 0 0 420.809 3.554 40 5 HHBBRN COc1ccc(S(=O)(=O)N(C)c2cc([N+](=O)[O-])ccc2OC)c(Cl)c1Cl ZINC000224626716 569276582 /nfs/dbraw/zinc/27/65/82/569276582.db2.gz XOXAZEYVULEULC-UHFFFAOYSA-N 0 0 421.258 3.744 40 5 HHBBRN CCN(c1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224787254 569289506 /nfs/dbraw/zinc/28/95/06/569289506.db2.gz RGMINGDBLDVJQZ-UHFFFAOYSA-N 0 0 412.851 3.558 40 5 HHBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225056783 569324818 /nfs/dbraw/zinc/32/48/18/569324818.db2.gz VKLJUGHZFGNBSP-ZWKOTPCHSA-N 0 0 411.502 3.778 40 5 HHBBRN CCOC(=O)c1ccc(C)c(N(CC)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000225091508 569325320 /nfs/dbraw/zinc/32/53/20/569325320.db2.gz HPRXUBSZMOEIBJ-UHFFFAOYSA-N 0 0 406.460 3.604 40 5 HHBBRN COc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)no2)c([N+](=O)[O-])c1 ZINC000007605451 569338003 /nfs/dbraw/zinc/33/80/03/569338003.db2.gz PLJSWYOEHIGXGS-UHFFFAOYSA-N 0 0 400.416 3.693 40 5 HHBBRN COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 ZINC000007928132 569338468 /nfs/dbraw/zinc/33/84/68/569338468.db2.gz NDAPWKGVDWTPCY-LBPRGKRZSA-N 0 0 403.822 3.557 40 5 HHBBRN CCc1cc(Br)ccc1NC(=O)COC(=O)c1ccccc1[N+](=O)[O-] ZINC000007939755 569338634 /nfs/dbraw/zinc/33/86/34/569338634.db2.gz ISXTUIOLOVDLDY-UHFFFAOYSA-N 0 0 407.220 3.715 40 5 HHBBRN Cc1c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000008033534 569338886 /nfs/dbraw/zinc/33/88/86/569338886.db2.gz YVYBMXWKCYOZAY-UHFFFAOYSA-N 0 0 411.439 3.956 40 5 HHBBRN COc1ccccc1-c1nc(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n[nH]1 ZINC000010475530 569344452 /nfs/dbraw/zinc/34/44/52/569344452.db2.gz MGVCHCPODRVNNF-UHFFFAOYSA-N 0 0 419.850 3.773 40 5 HHBBRN COc1cc(OCC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)ccc1[N+](=O)[O-] ZINC000225168583 569369424 /nfs/dbraw/zinc/36/94/24/569369424.db2.gz BKZTXDWYPNRPJE-UHFFFAOYSA-N 0 0 417.443 3.578 40 5 HHBBRN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000009664026 569393773 /nfs/dbraw/zinc/39/37/73/569393773.db2.gz LBMVLVQELZAGKS-UHFFFAOYSA-N 0 0 415.450 3.667 40 5 HHBBRN CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000009892058 569394372 /nfs/dbraw/zinc/39/43/72/569394372.db2.gz PJVIVMURBPLGCQ-UHFFFAOYSA-N 0 0 418.431 3.633 40 5 HHBBRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nn12 ZINC000010010269 569394910 /nfs/dbraw/zinc/39/49/10/569394910.db2.gz KGJRTWJLMRXEIE-UHFFFAOYSA-N 0 0 424.442 3.584 40 5 HHBBRN Cc1c(NC(=O)COc2ccc(I)cc2)cccc1[N+](=O)[O-] ZINC000068922039 569400712 /nfs/dbraw/zinc/40/07/12/569400712.db2.gz ISEHRFZQQYIDHI-UHFFFAOYSA-N 0 0 412.183 3.525 40 5 HHBBRN CCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(F)cc3s2)cc1[N+](=O)[O-] ZINC000001838523 571308975 /nfs/dbraw/zinc/30/89/75/571308975.db2.gz VJEUAVZDOHPYBN-UHFFFAOYSA-N 0 0 420.447 3.869 40 5 HHBBRN COc1ccc(CCNC(=O)c2cc3c(ccc4ccccc43)oc2=O)cc1OC ZINC000036627521 558800374 /nfs/dbraw/zinc/80/03/74/558800374.db2.gz NTJJLMVBNCAZAH-UHFFFAOYSA-N 0 0 403.434 3.936 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1 ZINC000219998902 558869682 /nfs/dbraw/zinc/86/96/82/558869682.db2.gz UYOLKWWCJFFKRN-UHFFFAOYSA-N 0 0 417.487 3.576 40 5 HHBBRN CCc1cccc(C)c1NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000220388782 559068412 /nfs/dbraw/zinc/06/84/12/559068412.db2.gz YEAIADITWVHDJO-OAHLLOKOSA-N 0 0 419.503 3.567 40 5 HHBBRN CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000014409759 559165610 /nfs/dbraw/zinc/16/56/10/559165610.db2.gz PDOYJEDAGUCHDR-UHFFFAOYSA-N 0 0 413.459 3.613 40 5 HHBBRN CCN1CCN(c2cc(NC(=O)c3ccc(F)cc3)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229360 559169975 /nfs/dbraw/zinc/16/99/75/559169975.db2.gz GNNMACLIDTXROJ-UHFFFAOYSA-N 0 0 406.845 3.782 40 5 HHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cccc(C)c2)o1 ZINC000004926731 559207130 /nfs/dbraw/zinc/20/71/30/559207130.db2.gz NHMPCZJFHYZJCH-UHFFFAOYSA-N 0 0 400.416 3.693 40 5 HHBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cccc(C)c2)o1 ZINC000004926794 559207171 /nfs/dbraw/zinc/20/71/71/559207171.db2.gz LOLTWZKSOYEASZ-UHFFFAOYSA-N 0 0 400.416 3.693 40 5 HHBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OC ZINC000408554211 559218084 /nfs/dbraw/zinc/21/80/84/559218084.db2.gz CJCMNGROBYFYKJ-UHFFFAOYSA-N 0 0 414.199 3.829 40 5 HHBBRN COc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1OC ZINC000408571134 559219348 /nfs/dbraw/zinc/21/93/48/559219348.db2.gz NSSWKSKGNDDPTO-GOSISDBHSA-N 0 0 418.450 3.842 40 5 HHBBRN O=C(NC(=S)Nc1ccccc1F)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000408625292 559221921 /nfs/dbraw/zinc/22/19/21/559221921.db2.gz XHEWSIJJQFGVNW-UHFFFAOYSA-N 0 0 402.451 3.851 40 5 HHBBRN O=C(NC(=S)Nc1cccc(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000408627831 559222104 /nfs/dbraw/zinc/22/21/04/559222104.db2.gz ODRFBKTYTAZJED-UHFFFAOYSA-N 0 0 404.879 3.975 40 5 HHBBRN COc1ccc(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)cc1[N+](=O)[O-] ZINC000408627768 559222110 /nfs/dbraw/zinc/22/21/10/559222110.db2.gz NOOGSMWTQUFVDR-UHFFFAOYSA-N 0 0 403.460 3.765 40 5 HHBBRN Cc1ccc(N2C[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408648495 559223314 /nfs/dbraw/zinc/22/33/14/559223314.db2.gz YKZKZIKWPVWREG-GFCCVEGCSA-N 0 0 407.348 3.914 40 5 HHBBRN COc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)o2)c1 ZINC000408649479 559223349 /nfs/dbraw/zinc/22/33/49/559223349.db2.gz DOVMBNDYHRPCKC-UHFFFAOYSA-N 0 0 400.416 3.693 40 5 HHBBRN CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4cc([N+](=O)[O-])ccc4F)cc3)C(=O)[C@@H]2C1 ZINC000408679927 559224418 /nfs/dbraw/zinc/22/44/18/559224418.db2.gz HJZQFVBXYPMWSB-DLBZAZTESA-N 0 0 423.400 3.832 40 5 HHBBRN C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000408685652 559224655 /nfs/dbraw/zinc/22/46/55/559224655.db2.gz PQUNIMCZYHTBBV-YSGRDPCXSA-N 0 0 421.453 3.573 40 5 HHBBRN C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 ZINC000408683148 559224658 /nfs/dbraw/zinc/22/46/58/559224658.db2.gz KNCSAPXQFIIWFU-SUMDDJOVSA-N 0 0 421.453 3.573 40 5 HHBBRN CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409135150 559242097 /nfs/dbraw/zinc/24/20/97/559242097.db2.gz VAIYYTHENSJQOU-CJNGLKHVSA-N 0 0 403.508 3.660 40 5 HHBBRN CCn1c(COc2ccccc2)nnc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409384981 559249448 /nfs/dbraw/zinc/24/94/48/559249448.db2.gz GVDBYSWRZMMOOH-UHFFFAOYSA-N 0 0 401.404 3.845 40 5 HHBBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1 ZINC000100711677 559259451 /nfs/dbraw/zinc/25/94/51/559259451.db2.gz FKTXAJQBICUBOF-NJYVYQBISA-N 0 0 415.405 3.646 40 5 HHBBRN O=[N+]([O-])c1cc(Br)cc(I)c1Br ZINC000226320998 559273261 /nfs/dbraw/zinc/27/32/61/559273261.db2.gz HAXPVZMCYJZOAH-UHFFFAOYSA-N 0 0 406.799 3.724 40 5 HHBBRN Cc1ccc2cc3c(nc2c1)sc1c3ncnc1SCC(=O)N1CCOCC1 ZINC000001327800 560573600 /nfs/dbraw/zinc/57/36/00/560573600.db2.gz GBSWSNVHAFXATD-UHFFFAOYSA-N 0 0 410.524 3.652 40 5 HHBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc([N+](=O)[O-])c(OC)cc3OC)S2)cc1 ZINC000408777290 560640058 /nfs/dbraw/zinc/64/00/58/560640058.db2.gz XUOQCFFDOLDDLG-JYWRCUDFSA-N 0 0 415.471 3.774 40 5 HHBBRN COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408818154 560644794 /nfs/dbraw/zinc/64/47/94/560644794.db2.gz YBDKQVZWCLHKQA-YVLHZVERSA-N 0 0 400.412 3.849 40 5 HHBBRN Cc1c(-c2ccc(/C=c3/sc4nc5ccccc5n4c3=O)o2)cccc1[N+](=O)[O-] ZINC000408841532 560646048 /nfs/dbraw/zinc/64/60/48/560646048.db2.gz JNUHICSYZGJAIU-YBFXNURJSA-N 0 0 403.419 3.934 40 5 HHBBRN O=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CCOCC1 ZINC000408975260 560660212 /nfs/dbraw/zinc/66/02/12/560660212.db2.gz LLRCZQCNBVYVBI-UHFFFAOYSA-N 0 0 410.437 3.744 40 5 HHBBRN COc1cc2c(cc1/C=C1/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C1=O)OCO2 ZINC000409093981 560674595 /nfs/dbraw/zinc/67/45/95/560674595.db2.gz CCLMUAWHRVASLN-REZTVBANSA-N 0 0 414.395 3.569 40 5 HHBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)c1C ZINC000409351707 560713922 /nfs/dbraw/zinc/71/39/22/560713922.db2.gz YKXQHEYDCJORFJ-LICLKQGHSA-N 0 0 411.439 3.887 40 5 HHBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)c1C ZINC000409358277 560715775 /nfs/dbraw/zinc/71/57/75/560715775.db2.gz LBTSVQDZULTQJN-LICLKQGHSA-N 0 0 411.439 3.887 40 5 HHBBRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1Br ZINC000015008630 560753085 /nfs/dbraw/zinc/75/30/85/560753085.db2.gz ZAUGWNNYJHTJCL-UHFFFAOYSA-N 0 0 420.263 3.755 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2ccc(O)cc2)n1C ZINC000000787030 568474551 /nfs/dbraw/zinc/47/45/51/568474551.db2.gz DOOVBUQIDSTVSI-LBPRGKRZSA-N 0 0 413.459 3.524 40 5 HHBBRN CCOc1ccc(C(=O)Nc2ccc(I)cc2)cc1[N+](=O)[O-] ZINC000000817499 568490146 /nfs/dbraw/zinc/49/01/46/568490146.db2.gz IZQBLJODZNIEQP-UHFFFAOYSA-N 0 0 412.183 3.850 40 5 HHBBRN CCc1nnc2sc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)nn12 ZINC000057316880 568490842 /nfs/dbraw/zinc/49/08/42/568490842.db2.gz MRVNTCOAZBQJFV-UHFFFAOYSA-N 0 0 408.443 3.884 40 5 HHBBRN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220411854 568505434 /nfs/dbraw/zinc/50/54/34/568505434.db2.gz DDAOIEDOOHSBDW-HNNXBMFYSA-N 0 0 419.503 3.820 40 5 HHBBRN CCc1nnc(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)n1CC ZINC000020034304 568586467 /nfs/dbraw/zinc/58/64/67/568586467.db2.gz LPVUVPSLUYCBLZ-UHFFFAOYSA-N 0 0 404.279 3.806 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000020061884 568586738 /nfs/dbraw/zinc/58/67/38/568586738.db2.gz MUFYNZBZXAPEBJ-UHFFFAOYSA-N 0 0 423.878 3.593 40 5 HHBBRN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000020061482 568587017 /nfs/dbraw/zinc/58/70/17/568587017.db2.gz ISRPQFATDUKMGO-UHFFFAOYSA-N 0 0 423.878 3.593 40 5 HHBBRN Cc1c(C(=O)Nc2ccc(N3CCOCC3)c(Br)c2)cccc1[N+](=O)[O-] ZINC000020611550 568636517 /nfs/dbraw/zinc/63/65/17/568636517.db2.gz DCZODYZYPREQKC-UHFFFAOYSA-N 0 0 420.263 3.755 40 5 HHBBRN Cc1nnc2sc(-c3ccccc3NC(=O)c3cc([N+](=O)[O-])ccc3Cl)nn12 ZINC000021595425 568722373 /nfs/dbraw/zinc/72/23/73/568722373.db2.gz FRLPIFQUMBQXJD-UHFFFAOYSA-N 0 0 414.834 3.975 40 5 HHBBRN COc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c([N+](=O)[O-])cc1OC ZINC000222565647 568763690 /nfs/dbraw/zinc/76/36/90/568763690.db2.gz RKDFNWFYSMGGEV-FJNPEDAXSA-N 0 0 400.460 3.596 40 5 HHBBRN COc1cccc(-c2cc(-c3cccc(OC)c3)n(Cn3cc([N+](=O)[O-])cn3)n2)c1 ZINC000002733264 568804453 /nfs/dbraw/zinc/80/44/53/568804453.db2.gz OKSUXWUSYZQKGN-UHFFFAOYSA-N 0 0 405.414 3.845 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccc(Br)cc1F ZINC000057014517 568823332 /nfs/dbraw/zinc/82/33/32/568823332.db2.gz XEKBYNHQINGLNO-UHFFFAOYSA-N 0 0 403.229 3.630 40 5 HHBBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000223035718 568909960 /nfs/dbraw/zinc/90/99/60/568909960.db2.gz DTAVDRXSOZONKF-UXHICEINSA-N 0 0 424.482 3.869 40 5 HHBBRN Cc1ccc(C(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1[N+](=O)[O-] ZINC000217944353 568920718 /nfs/dbraw/zinc/92/07/18/568920718.db2.gz KUSGGFZDPVLIGN-UHFFFAOYSA-N 0 0 417.219 3.646 40 5 HHBBRN Cc1ccc(-c2noc(CN(C)C(=O)CSCc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000218053957 568924970 /nfs/dbraw/zinc/92/49/70/568924970.db2.gz ZSKCUAYOJNQESC-UHFFFAOYSA-N 0 0 412.471 3.845 40 5 HHBBRN Cc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059502189 568957032 /nfs/dbraw/zinc/95/70/32/568957032.db2.gz JUFRZXZQTLKGSF-UHFFFAOYSA-N 0 0 415.405 3.804 40 5 HHBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223564520 569029544 /nfs/dbraw/zinc/02/95/44/569029544.db2.gz GHBJHYQVNQSXNJ-FQEVSTJZSA-N 0 0 411.502 3.861 40 5 HHBBRN CC1CCN(c2ccc(C(=O)Nc3ccccc3N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000006202775 569031741 /nfs/dbraw/zinc/03/17/41/569031741.db2.gz DOVIIWKJXATCEM-UHFFFAOYSA-N 0 0 424.501 3.920 40 5 HHBBRN CC(=O)Nc1ccc2nc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)oc2c1 ZINC000006304954 569038535 /nfs/dbraw/zinc/03/85/35/569038535.db2.gz JKMWUPPXRTXUAM-XVNBXDOJSA-N 0 0 400.778 4.000 40 5 HHBBRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000137864606 569046426 /nfs/dbraw/zinc/04/64/26/569046426.db2.gz DKUPHKMYSNNQSX-FHWLQOOXSA-N 0 0 421.434 3.707 40 5 HHBBRN O=c1/c(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)sc2nc3ccccc3n12 ZINC000016545567 569058608 /nfs/dbraw/zinc/05/86/08/569058608.db2.gz HYESQVDBEHAVEI-WOJGMQOQSA-N 0 0 416.418 3.552 40 5 HHBBRN CCCNC(=O)c1cc2c3ccccc3n3c2c(n1)c1ccc(OC)c(OC)c1c3=O ZINC000006624573 569061089 /nfs/dbraw/zinc/06/10/89/569061089.db2.gz SGXFAZTYOXRMSW-UHFFFAOYSA-N 0 0 415.449 3.749 40 5 biogenic HHBBRN O=C(NC(=S)Nc1ccc(F)cc1F)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000017092148 569274192 /nfs/dbraw/zinc/27/41/92/569274192.db2.gz VICOAOQTHWQSKK-UHFFFAOYSA-N 0 0 420.441 3.990 40 5 HHBBRN COc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1N1C(=O)c2ccccc2C1=O ZINC000017091013 569274218 /nfs/dbraw/zinc/27/42/18/569274218.db2.gz CYLBBIFSQUEWJO-UHFFFAOYSA-N 0 0 417.377 3.656 40 5 HHBBRN CCOC(=O)c1ccc(C)c(N(CC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000224789237 569289509 /nfs/dbraw/zinc/28/95/09/569289509.db2.gz LNPGZHRRMVSYRF-UHFFFAOYSA-N 0 0 406.460 3.604 40 5 HHBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225097182 569325297 /nfs/dbraw/zinc/32/52/97/569325297.db2.gz IOSAZNLXAWGWSQ-ZWKOTPCHSA-N 0 0 411.502 3.778 40 5 HHBBRN Cc1cccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)c1 ZINC000005293613 569328482 /nfs/dbraw/zinc/32/84/82/569328482.db2.gz QUXOLHKVMZJECF-UHFFFAOYSA-N 0 0 414.443 3.904 40 5 HHBBRN COc1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006470148 569332603 /nfs/dbraw/zinc/33/26/03/569332603.db2.gz CANBAIBIJQUINT-UHFFFAOYSA-N 0 0 412.423 3.689 40 5 HHBBRN Cc1c(C)c(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)ccc1Br ZINC000008433618 569340908 /nfs/dbraw/zinc/34/09/08/569340908.db2.gz YIRAXEGWGDVBCQ-UHFFFAOYSA-N 0 0 407.220 3.770 40 5 HHBBRN CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@H]2C1 ZINC000008472089 569341179 /nfs/dbraw/zinc/34/11/79/569341179.db2.gz OFSWQTKNSOKEPK-MOPGFXCFSA-N 0 0 405.410 3.693 40 5 HHBBRN O=C(Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000020989188 569349659 /nfs/dbraw/zinc/34/96/59/569349659.db2.gz GZCIXUVSSJGWTO-UHFFFAOYSA-N 0 0 419.393 3.506 40 5 HHBBRN O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000108995041 569353708 /nfs/dbraw/zinc/35/37/08/569353708.db2.gz SEKVNRGJUIDKLJ-UHFFFAOYSA-N 0 0 412.383 3.890 40 5 HHBBRN Cc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3n2)cc1 ZINC000008989927 569391038 /nfs/dbraw/zinc/39/10/38/569391038.db2.gz UYSFRLVRACTXSD-UHFFFAOYSA-N 0 0 418.369 3.798 40 5 HHBBRN CC(C)Oc1cccc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 ZINC000006345982 132310454 /nfs/dbraw/zinc/31/04/54/132310454.db2.gz UZGUUXZHEBRLSO-UHFFFAOYSA-N 0 0 403.866 3.998 40 5 HHBBRN COc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000004619281 558852712 /nfs/dbraw/zinc/85/27/12/558852712.db2.gz KDDQDKSBHPVXAI-UHFFFAOYSA-N 0 0 409.364 3.585 40 5 HHBBRN Cc1c(C(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cccc1[N+](=O)[O-] ZINC000014630096 559171524 /nfs/dbraw/zinc/17/15/24/559171524.db2.gz CFCVHBWIIFGDIO-UHFFFAOYSA-N 0 0 415.318 3.561 40 5 HHBBRN Cn1c2cc(NC(=O)CSc3ccc4ccccc4c3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408541525 559217183 /nfs/dbraw/zinc/21/71/83/559217183.db2.gz BWGKVCOBJZGKFE-UHFFFAOYSA-N 0 0 422.466 3.669 40 5 HHBBRN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)N1CCC(C)CC1 ZINC000408602056 559220605 /nfs/dbraw/zinc/22/06/05/559220605.db2.gz ABMKZPUYLLTCET-FNORWQNLSA-N 0 0 415.446 3.708 40 5 HHBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)NC(=S)N1 ZINC000408603378 559220778 /nfs/dbraw/zinc/22/07/78/559220778.db2.gz GFMOWXGERXVGLA-GOSISDBHSA-N 0 0 415.471 3.991 40 5 HHBBRN CCn1c(Sc2ccc([N+](=O)[O-])cn2)nnc1-c1cc(Br)ccc1O ZINC000408605248 559221067 /nfs/dbraw/zinc/22/10/67/559221067.db2.gz LHFBHWKXLMQCHL-UHFFFAOYSA-N 0 0 422.264 3.888 40 5 HHBBRN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000408623184 559221819 /nfs/dbraw/zinc/22/18/19/559221819.db2.gz RDLCVGZIJXXXNX-UHFFFAOYSA-N 0 0 400.416 3.693 40 5 HHBBRN CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4cc([N+](=O)[O-])ccc4F)cc3)C(=O)[C@H]2C1 ZINC000408679933 559223932 /nfs/dbraw/zinc/22/39/32/559223932.db2.gz HJZQFVBXYPMWSB-IRXDYDNUSA-N 0 0 423.400 3.832 40 5 HHBBRN C[C@H]1CC[C@@H]2C(=O)N(c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@@H]2C1 ZINC000100580351 559235477 /nfs/dbraw/zinc/23/54/77/559235477.db2.gz RQYNFXLABWOWGX-FASAQXTFSA-N 0 0 408.410 3.740 40 5 HHBBRN COC(=O)CC[C@@]1([N+](=O)[O-])CCCN(C(=O)OC(C)(C)C)[C@@H]1c1ccc(F)cc1 ZINC000072390492 559275343 /nfs/dbraw/zinc/27/53/43/559275343.db2.gz FNRBYCFAKIUMOT-XLIONFOSSA-N 0 0 410.442 3.866 40 5 HHBBRN CC(C)(C)c1ccc(OCC(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000005496847 560597318 /nfs/dbraw/zinc/59/73/18/560597318.db2.gz MQHNEVYZTZMRFB-UHFFFAOYSA-N 0 0 405.451 3.923 40 5 HHBBRN Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1S[C@H]1CCc2ccccc2C1=O ZINC000004130628 560599648 /nfs/dbraw/zinc/59/96/48/560599648.db2.gz BLPFNHNHAVXYRF-KRWDZBQOSA-N 0 0 410.455 3.592 40 5 HHBBRN CC1(C)Cc2ccccc2-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n21 ZINC000004168148 560602242 /nfs/dbraw/zinc/60/22/42/560602242.db2.gz UOZIGFMIWKJRFA-UHFFFAOYSA-N 0 0 409.471 3.875 40 5 HHBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(OC)c(OC)cc3[N+](=O)[O-])S2)cc1 ZINC000408774134 560639363 /nfs/dbraw/zinc/63/93/63/560639363.db2.gz ADJRBPRZHODGQU-JZVSFUAJSA-N 0 0 415.471 3.774 40 5 HHBBRN O=C1N/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1F ZINC000409094754 560674689 /nfs/dbraw/zinc/67/46/89/560674689.db2.gz FVPYLXFAMRVLDT-XDHOZWIPSA-N 0 0 406.373 3.618 40 5 HHBBRN CCc1ccc(C2=NN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@](O)(C(F)(F)F)C2)cc1 ZINC000409100400 560676901 /nfs/dbraw/zinc/67/69/01/560676901.db2.gz VRSDUCQWMDMMCS-LJQANCHMSA-N 0 0 421.375 3.587 40 5 HHBBRN CCn1c(COc2ccccc2F)nnc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409385400 560717734 /nfs/dbraw/zinc/71/77/34/560717734.db2.gz KTTPVZXWVJRFKB-UHFFFAOYSA-N 0 0 419.394 3.984 40 5 HHBBRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1Cl ZINC000009653989 560760076 /nfs/dbraw/zinc/76/00/76/560760076.db2.gz GFINWYDZJJGHMA-UHFFFAOYSA-N 0 0 413.611 3.806 40 5 HHBBRN CC(C)=C1[C@@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@@H]21 ZINC000101359454 560793238 /nfs/dbraw/zinc/79/32/38/560793238.db2.gz DWNWFLJGOOEXSQ-OJXGSEEGSA-N 0 0 403.232 3.615 40 5 HHBBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 ZINC000102724818 560821396 /nfs/dbraw/zinc/82/13/96/560821396.db2.gz LGWZTUBTNDZURN-NJYVYQBISA-N 0 0 415.405 3.646 40 5 HHBBRN Cc1c(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cccc1[N+](=O)[O-] ZINC000103718765 560844030 /nfs/dbraw/zinc/84/40/30/560844030.db2.gz BUDOKRKAVLOGPU-LBPRGKRZSA-N 0 0 407.348 3.914 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(I)cc1 ZINC000104626427 560851969 /nfs/dbraw/zinc/85/19/69/560851969.db2.gz VEXCBNIBMNLGIH-UHFFFAOYSA-N 0 0 412.183 3.525 40 5 HHBBRN CC(C)OC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000106754473 560893695 /nfs/dbraw/zinc/89/36/95/560893695.db2.gz WMMCAZWJMHCOLM-SXGWCWSVSA-N 0 0 416.411 3.843 40 5 HHBBRN CS(=O)(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Cl ZINC000019934155 568585679 /nfs/dbraw/zinc/58/56/79/568585679.db2.gz MFFGFFUIDCGGBE-UHFFFAOYSA-N 0 0 404.231 3.525 40 5 HHBBRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000095346078 568599949 /nfs/dbraw/zinc/59/99/49/568599949.db2.gz OBTZGXKXSUAATG-ACRUOGEOSA-N 0 0 415.405 3.646 40 5 HHBBRN COc1c([N+](=O)[O-])cc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1[N+](=O)[O-] ZINC000020528428 568625852 /nfs/dbraw/zinc/62/58/52/568625852.db2.gz HPQWPPPTUWVSAC-UHFFFAOYSA-N 0 0 409.782 3.799 40 5 HHBBRN CC(C)(C)c1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1 ZINC000020611863 568636383 /nfs/dbraw/zinc/63/63/83/568636383.db2.gz HCWHMIPNUQZXMI-UHFFFAOYSA-N 0 0 413.474 3.746 40 5 HHBBRN CC(=O)c1ccc(NC(=O)C(=Cc2cccc([N+](=O)[O-])c2)NC(=O)c2ccco2)cc1 ZINC000000850971 568711878 /nfs/dbraw/zinc/71/18/78/568711878.db2.gz YHDFOPZBGZHOOD-UYRXBGFRSA-N 0 0 419.393 3.800 40 5 HHBBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc([N+](=O)[O-])c(OC)cc3OC)N21 ZINC000260777996 568738845 /nfs/dbraw/zinc/73/88/45/568738845.db2.gz QVZQQMKIKMUKGH-DPMMWBKBSA-N 0 0 414.487 3.986 40 5 HHBBRN CN(c1ccc(Cl)c(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1)S(C)(=O)=O ZINC000222499173 568761464 /nfs/dbraw/zinc/76/14/64/568761464.db2.gz FZPZPTGQMMFSIU-UHFFFAOYSA-N 0 0 418.258 3.550 40 5 HHBBRN CC[C@@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222522387 568761687 /nfs/dbraw/zinc/76/16/87/568761687.db2.gz VYSQEYMQFSAHKC-SFHVURJKSA-N 0 0 419.503 3.703 40 5 HHBBRN CC[C@@H](C(=O)Nc1ccccc1C(C)C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222522700 568761766 /nfs/dbraw/zinc/76/17/66/568761766.db2.gz GKSRGPIDSTYBPV-IBGZPJMESA-N 0 0 419.503 3.902 40 5 HHBBRN CC[C@H](C(=O)Nc1cccc(SC)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222521353 568761787 /nfs/dbraw/zinc/76/17/87/568761787.db2.gz YESMFRGVPSQEPH-QGZVFWFLSA-N 0 0 423.516 3.500 40 5 HHBBRN COc1cc(OC)c([N+](=O)[O-])cc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222565863 568763764 /nfs/dbraw/zinc/76/37/64/568763764.db2.gz BBEXCTUEDSFGBB-PDSMFRHLSA-N 0 0 400.460 3.596 40 5 HHBBRN O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000022029522 568764359 /nfs/dbraw/zinc/76/43/59/568764359.db2.gz YNJODFRXHIMOJT-UHFFFAOYSA-N 0 0 419.393 3.643 40 5 HHBBRN Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222715675 568769534 /nfs/dbraw/zinc/76/95/34/568769534.db2.gz SGVPOJMZKDFUKR-QGZVFWFLSA-N 0 0 411.502 3.778 40 5 HHBBRN O=C(CCc1nc(-c2ccc(Br)cc2)no1)Nc1cccc([N+](=O)[O-])c1 ZINC000225819933 568782472 /nfs/dbraw/zinc/78/24/72/568782472.db2.gz SIJQHSWSCDVFFL-UHFFFAOYSA-N 0 0 417.219 3.979 40 5 HHBBRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222902598 568823995 /nfs/dbraw/zinc/82/39/95/568823995.db2.gz MQWRZWYTEHXBFB-HXUWFJFHSA-N 0 0 411.502 3.512 40 5 HHBBRN O=C(Nc1ccccc1OC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000003014142 568837868 /nfs/dbraw/zinc/83/78/68/568837868.db2.gz RJMJTSLTFKVPNR-UHFFFAOYSA-N 0 0 407.338 3.975 40 5 HHBBRN O=C(c1cccc(Cl)c1)N1NC(C(F)(F)F)=C[C@@]1(O)c1cccc([N+](=O)[O-])c1 ZINC000059488944 568956440 /nfs/dbraw/zinc/95/64/40/568956440.db2.gz ZLOYYUXSNJOXDL-MRXNPFEDSA-N 0 0 413.739 3.858 40 5 HHBBRN Cc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000059502205 568957045 /nfs/dbraw/zinc/95/70/45/568957045.db2.gz NJTBJPZTEYRSOJ-UHFFFAOYSA-N 0 0 415.405 3.804 40 5 HHBBRN Cc1ccc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000016293557 569030448 /nfs/dbraw/zinc/03/04/48/569030448.db2.gz ZJTXZVHVAGIDPF-UHFFFAOYSA-N 0 0 423.391 3.650 40 5 HHBBRN CC(C)c1ccc(-c2noc(CN(C)S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000223590518 569030579 /nfs/dbraw/zinc/03/05/79/569030579.db2.gz XVSOWAKYTYBMOE-UHFFFAOYSA-N 0 0 416.459 3.589 40 5 HHBBRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000007387987 569235859 /nfs/dbraw/zinc/23/58/59/569235859.db2.gz YKIFEGKJYZLXME-UHFFFAOYSA-N 0 0 410.474 3.542 40 5 HHBBRN CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nc2sc(C)c(C)c2c1=O ZINC000016755495 569262355 /nfs/dbraw/zinc/26/23/55/569262355.db2.gz DMPUBJJEBFGFOA-UHFFFAOYSA-N 0 0 403.485 3.978 40 5 HHBBRN Cc1nn2c(nc1=O)SC[C@H](Sc1ccc([N+](=O)[O-])cc1)[C@H]2c1ccccc1 ZINC000016779246 569262861 /nfs/dbraw/zinc/26/28/61/569262861.db2.gz JWZNVQXINFVYIM-DLBZAZTESA-N 0 0 412.496 3.711 40 5 HHBBRN Cc1cc(O)c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1C ZINC000017089906 569274415 /nfs/dbraw/zinc/27/44/15/569274415.db2.gz GLHVYOSXRHNYNL-UHFFFAOYSA-N 0 0 414.487 3.644 40 5 HHBBRN COc1ccc(OC)c(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c1 ZINC000215022378 569323957 /nfs/dbraw/zinc/32/39/57/569323957.db2.gz XAOOYGVJWPLOQA-LICLKQGHSA-N 0 0 400.412 3.849 40 5 HHBBRN CCOC(=O)c1cc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1Cl ZINC000225091921 569325379 /nfs/dbraw/zinc/32/53/79/569325379.db2.gz LULMEMXYKWKTOA-UHFFFAOYSA-N 0 0 412.851 3.558 40 5 HHBBRN CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225135069 569328096 /nfs/dbraw/zinc/32/80/96/569328096.db2.gz HMDKMWRUSPYIOX-HXUWFJFHSA-N 0 0 411.502 3.779 40 5 HHBBRN CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2cc(OC)ccc2[N+](=O)[O-])CC1=O ZINC000007928232 569338424 /nfs/dbraw/zinc/33/84/24/569338424.db2.gz AGXCUNNOZWNKAN-INIZCTEOSA-N 0 0 411.458 3.720 40 5 HHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2cccc(Cl)c2C)CC1=O ZINC000007928446 569338518 /nfs/dbraw/zinc/33/85/18/569338518.db2.gz NYXJJJKQETXXEA-LBPRGKRZSA-N 0 0 403.822 3.557 40 5 HHBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O ZINC000009698858 569342514 /nfs/dbraw/zinc/34/25/14/569342514.db2.gz FYHZGRRUISUTAV-UHFFFAOYSA-N 0 0 420.352 3.892 40 5 HHBBRN O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1ccccc1[N+](=O)[O-] ZINC000012249581 569344806 /nfs/dbraw/zinc/34/48/06/569344806.db2.gz BFPHUSCAGJMMOX-UHFFFAOYSA-N 0 0 420.834 3.941 40 5 HHBBRN O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000024870200 569349864 /nfs/dbraw/zinc/34/98/64/569349864.db2.gz LOAQWEHGPGPUQH-UHFFFAOYSA-N 0 0 403.438 3.936 40 5 HHBBRN Cc1ccc(C(=O)N[C@H](C)c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)cc1 ZINC000033736832 569351190 /nfs/dbraw/zinc/35/11/90/569351190.db2.gz KRISFEFUUUKART-CQSZACIVSA-N 0 0 411.487 3.815 40 5 HHBBRN COc1c2c(cc3oc4c(CCC(C)(C)O)ccc(O)c4c(=O)c31)O[C@H]1OC=C[C@H]21 ZINC000013374565 291252559 /nfs/dbraw/zinc/25/25/59/291252559.db2.gz MLCZRFXGJOUFHE-VERVWZFWSA-N 0 0 410.422 3.710 40 5 biogenic,in-vitro HHBBRN O=[N+]([O-])c1ccc(N2CCN(c3ncnc4c(-c5ccccc5)nsc43)CC2)cc1 ZINC000012639456 132365664 /nfs/dbraw/zinc/36/56/64/132365664.db2.gz NNCGGPBBMSCJJK-UHFFFAOYSA-N 0 0 418.482 3.988 40 5 HHBBRN CNc1cc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000013633035 132458514 /nfs/dbraw/zinc/45/85/14/132458514.db2.gz TUYUWGOPCDXUKY-UHFFFAOYSA-N 0 0 409.273 3.906 40 5 HHBBRN Cc1cc(I)cnc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000032125122 525013077 /nfs/dbraw/zinc/01/30/77/525013077.db2.gz DJJOQAVGHRVBJB-UHFFFAOYSA-N 0 0 417.590 3.809 40 5 HHBBRN O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000013632619 527462614 /nfs/dbraw/zinc/46/26/14/527462614.db2.gz DPAPSXKOIFRVCS-UHFFFAOYSA-N 0 0 420.450 3.974 40 5 HHBBRN COc1ccc(-c2ccc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nn2)cc1OC ZINC000408527159 557288901 /nfs/dbraw/zinc/28/89/01/557288901.db2.gz BAWUEZJIDBFHCH-UHFFFAOYSA-N 0 0 415.789 3.942 40 5 HHBBRN CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3cc([N+](=O)[O-])ccc3F)C(=O)[C@@H]2C1 ZINC000408677660 557683051 /nfs/dbraw/zinc/68/30/51/557683051.db2.gz DWRYHWBAQMNRIT-GOEBONIOSA-N 0 0 423.400 3.832 40 5 HHBBRN COc1cc(OCC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)ccc1[N+](=O)[O-] ZINC000219827700 558299317 /nfs/dbraw/zinc/29/93/17/558299317.db2.gz FSPXIAVPERHUIX-MRXNPFEDSA-N 0 0 400.431 3.709 40 5 HHBBRN O=C1[C@@H]2[C@H](c3ccccc3)N(c3ccccc3)O[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000013712315 558857971 /nfs/dbraw/zinc/85/79/71/558857971.db2.gz OBTZGXKXSUAATG-HKBOAZHASA-N 0 0 415.405 3.646 40 5 HHBBRN COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O ZINC000205684125 558983840 /nfs/dbraw/zinc/98/38/40/558983840.db2.gz OPCXAVACKJVACZ-VGOFMYFVSA-N 0 0 422.802 3.718 40 5 HHBBRN CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000014409773 559165631 /nfs/dbraw/zinc/16/56/31/559165631.db2.gz PYAXRYCZDAISST-UHFFFAOYSA-N 0 0 401.423 3.743 40 5 HHBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1 ZINC000408565618 559218202 /nfs/dbraw/zinc/21/82/02/559218202.db2.gz COHUFWPNIVEXQC-MRXNPFEDSA-N 0 0 403.395 3.733 40 5 HHBBRN COc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1OC ZINC000408571135 559219352 /nfs/dbraw/zinc/21/93/52/559219352.db2.gz NSSWKSKGNDDPTO-SFHVURJKSA-N 0 0 418.450 3.842 40 5 HHBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)NC(=S)N1 ZINC000408603379 559220829 /nfs/dbraw/zinc/22/08/29/559220829.db2.gz GFMOWXGERXVGLA-SFHVURJKSA-N 0 0 415.471 3.991 40 5 HHBBRN COc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408614353 559221560 /nfs/dbraw/zinc/22/15/60/559221560.db2.gz BFXQWAPSCYILSB-UHFFFAOYSA-N 0 0 405.410 3.786 40 5 HHBBRN CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@H]2C1 ZINC000408684145 559224672 /nfs/dbraw/zinc/22/46/72/559224672.db2.gz OFSWQTKNSOKEPK-OALUTQOASA-N 0 0 405.410 3.693 40 5 HHBBRN Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000408701538 559225161 /nfs/dbraw/zinc/22/51/61/559225161.db2.gz ZLTRUZRRRLXOGR-UHFFFAOYSA-N 0 0 417.487 3.576 40 5 HHBBRN Cc1ccc(OCc2nn(CC(=O)Nc3ccc([N+](=O)[O-])cc3C)c(=S)o2)cc1 ZINC000409158947 559242324 /nfs/dbraw/zinc/24/23/24/559242324.db2.gz MCUQBZNWTRZAQZ-UHFFFAOYSA-N 0 0 414.443 3.948 40 5 HHBBRN CCCN1C(=O)N/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O ZINC000409232617 559246698 /nfs/dbraw/zinc/24/66/98/559246698.db2.gz ALTZDTXQAGGCNP-XDHOZWIPSA-N 0 0 404.426 3.901 40 5 HHBBRN Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1S[C@@H]1CCc2ccccc2C1=O ZINC000000916911 560553720 /nfs/dbraw/zinc/55/37/20/560553720.db2.gz BLPFNHNHAVXYRF-QGZVFWFLSA-N 0 0 410.455 3.592 40 5 HHBBRN CCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OCC ZINC000008477654 560564554 /nfs/dbraw/zinc/56/45/54/560564554.db2.gz YGDCSCMLRLXZPI-UHFFFAOYSA-N 0 0 400.840 3.846 40 5 HHBBRN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000005430160 560585136 /nfs/dbraw/zinc/58/51/36/560585136.db2.gz FHFFZCHZFXEFPZ-UHFFFAOYSA-N 0 0 411.487 3.836 40 5 HHBBRN CCOc1ccc(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)cc1 ZINC000004596836 560607888 /nfs/dbraw/zinc/60/78/88/560607888.db2.gz FVIZRPJVSBZDBQ-UHFFFAOYSA-N 0 0 407.338 3.856 40 5 HHBBRN Cc1cc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)n(-c2ccc(C)cc2)n1 ZINC000005555418 560609022 /nfs/dbraw/zinc/60/90/22/560609022.db2.gz YJUAPTBYBATCEA-UHFFFAOYSA-N 0 0 407.835 3.818 40 5 HHBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1OC ZINC000004977119 560622856 /nfs/dbraw/zinc/62/28/56/560622856.db2.gz NLKMUOMFUBQVSF-UHFFFAOYSA-N 0 0 413.459 3.613 40 5 HHBBRN COc1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(OC)c1 ZINC000408917198 560653495 /nfs/dbraw/zinc/65/34/95/560653495.db2.gz OPUYITPYCUEFEU-RQZCQDPDSA-N 0 0 400.412 3.849 40 5 HHBBRN S=C(Nc1cc2ncccc2c2cccnc12)N1CCN(c2ccccn2)CC1 ZINC000408974338 560659973 /nfs/dbraw/zinc/65/99/73/560659973.db2.gz FFEDFVHXNYPWBV-UHFFFAOYSA-N 0 0 400.511 3.697 40 5 HHBBRN CCC(=O)Nc1cc(OC)c(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000409178232 560687521 /nfs/dbraw/zinc/68/75/21/560687521.db2.gz FTVGBUMQTKOGNT-UHFFFAOYSA-N 0 0 420.805 3.645 40 5 HHBBRN CN1C(=O)N/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O ZINC000409191875 560689541 /nfs/dbraw/zinc/68/95/41/560689541.db2.gz PIEIVCHXJXIUOB-MDWZMJQESA-N 0 0 407.304 3.928 40 5 HHBBRN COCCN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O ZINC000409217042 560697521 /nfs/dbraw/zinc/69/75/21/560697521.db2.gz NMJRSOWTCDEADM-LDADJPATSA-N 0 0 414.439 3.857 40 5 HHBBRN O=C(Nc1ccc(Br)cc1F)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000015007931 560779655 /nfs/dbraw/zinc/77/96/55/560779655.db2.gz ALBPKKBTIHKLHV-UHFFFAOYSA-N 0 0 424.226 3.585 40 5 HHBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)n2nc(C)nc2N1 ZINC000014163446 560839432 /nfs/dbraw/zinc/83/94/32/560839432.db2.gz VOBQBAQRVGUBEV-MRXNPFEDSA-N 0 0 405.842 3.780 40 5 HHBBRN COc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1[N+](=O)[O-] ZINC000014376734 560841338 /nfs/dbraw/zinc/84/13/38/560841338.db2.gz VHBVRUSSLKRRMI-UHFFFAOYSA-N 0 0 400.372 3.887 40 5 HHBBRN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000103718748 560844017 /nfs/dbraw/zinc/84/40/17/560844017.db2.gz MCDBHWFZZCXLSG-JTQLQIEISA-N 0 0 411.311 3.744 40 5 HHBBRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1[N+](=O)[O-] ZINC000014412727 560845781 /nfs/dbraw/zinc/84/57/81/560845781.db2.gz OURYJEUSSORWNL-UHFFFAOYSA-N 0 0 417.487 3.720 40 5 HHBBRN O=C1S/C(=C\c2coc3ccccc3c2=O)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000106728502 560893587 /nfs/dbraw/zinc/89/35/87/560893587.db2.gz JYCMFNQZCISVFU-MFOYZWKCSA-N 0 0 408.391 3.938 40 5 HHBBRN CCOc1ccc([C@H](C)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1OCC ZINC000019932556 568585656 /nfs/dbraw/zinc/58/56/56/568585656.db2.gz IQWIDDOFVLEAAW-AWEZNQCLSA-N 0 0 408.476 3.573 40 5 HHBBRN Cc1[nH][nH]c(=O)c1C(c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1)c1c(C)[nH][nH]c1=O ZINC000096193505 568703260 /nfs/dbraw/zinc/70/32/60/568703260.db2.gz YTDBIXFMLGOXFV-UHFFFAOYSA-N 0 0 409.402 3.818 40 5 HHBBRN CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000000862087 568713748 /nfs/dbraw/zinc/71/37/48/568713748.db2.gz UMOUYVNKHIJUNN-UHFFFAOYSA-N 0 0 413.459 3.613 40 5 HHBBRN CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222514066 568761363 /nfs/dbraw/zinc/76/13/63/568761363.db2.gz WNBHUWXQZLNOBI-IBGZPJMESA-N 0 0 419.503 3.902 40 5 HHBBRN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000057317299 568826657 /nfs/dbraw/zinc/82/66/57/568826657.db2.gz VRBMPYWGHSCZDY-UHFFFAOYSA-N 0 0 417.746 3.767 40 5 HHBBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000223026880 568909482 /nfs/dbraw/zinc/90/94/82/568909482.db2.gz CFHSWVADRSDDDX-WOJBJXKFSA-N 0 0 424.482 3.869 40 5 HHBBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000223026766 568909540 /nfs/dbraw/zinc/90/95/40/568909540.db2.gz CFHSWVADRSDDDX-UXHICEINSA-N 0 0 424.482 3.869 40 5 HHBBRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223047968 568910918 /nfs/dbraw/zinc/91/09/18/568910918.db2.gz QBNQWLMUFAENLE-GOSISDBHSA-N 0 0 411.502 3.779 40 5 HHBBRN CN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000218054436 568924995 /nfs/dbraw/zinc/92/49/95/568924995.db2.gz FLUFXAWUQSBSCA-UHFFFAOYSA-N 0 0 404.473 3.598 40 5 HHBBRN C[C@@H]1N=C(c2ccc(I)cc2)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)N21 ZINC000015931882 569022909 /nfs/dbraw/zinc/02/29/09/569022909.db2.gz PQXSWFOGRMAMAY-BHASVWGSSA-N 0 0 419.222 3.774 40 5 HHBBRN CC(C)c1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000223591439 569030569 /nfs/dbraw/zinc/03/05/69/569030569.db2.gz LNDNPFZSDUTWDS-UHFFFAOYSA-N 0 0 416.459 3.589 40 5 HHBBRN COc1ccc(Br)cc1[C@@H]1OC(=O)c2c1c([N+](=O)[O-])cc(OC)c2OC ZINC000001610404 569031142 /nfs/dbraw/zinc/03/11/42/569031142.db2.gz HGMNEFVBMOKVEQ-HNNXBMFYSA-N 0 0 424.203 3.643 40 5 HHBBRN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000016682520 569070265 /nfs/dbraw/zinc/07/02/65/569070265.db2.gz RGXUELLHXLRPNJ-MRXNPFEDSA-N 0 0 421.862 3.864 40 5 HHBBRN CCOc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1[N+](=O)[O-] ZINC000016693033 569070551 /nfs/dbraw/zinc/07/05/51/569070551.db2.gz RTFWVZNWHMUORE-UHFFFAOYSA-N 0 0 400.416 3.814 40 5 HHBBRN COc1cc(OCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)ccc1[N+](=O)[O-] ZINC000224592253 569072423 /nfs/dbraw/zinc/07/24/23/569072423.db2.gz YLFGJKOWYBVKNH-UHFFFAOYSA-N 0 0 420.834 3.793 40 5 HHBBRN COc1c(C)cccc1C(=O)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000017082389 569273083 /nfs/dbraw/zinc/27/30/83/569273083.db2.gz PYTRNBKRANMVAE-UHFFFAOYSA-N 0 0 402.457 3.648 40 5 HHBBRN O=C(NC(=S)Nc1cc(Cl)ccc1O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000017092458 569273879 /nfs/dbraw/zinc/27/38/79/569273879.db2.gz ZBKRNWBOIPXQQN-UHFFFAOYSA-N 0 0 420.878 3.681 40 5 HHBBRN COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000017088395 569274052 /nfs/dbraw/zinc/27/40/52/569274052.db2.gz BOZUOOCQQBLLCS-UHFFFAOYSA-N 0 0 410.257 3.873 40 5 HHBBRN COc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1[N+](=O)[O-] ZINC000017091009 569274283 /nfs/dbraw/zinc/27/42/83/569274283.db2.gz ACIUNNHESGNFRL-UHFFFAOYSA-N 0 0 417.377 3.656 40 5 HHBBRN CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000224761506 569288583 /nfs/dbraw/zinc/28/85/83/569288583.db2.gz STJHZYBYZVVEGX-UHFFFAOYSA-N 0 0 412.851 3.640 40 5 HHBBRN CCOC(=O)CN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224783552 569289582 /nfs/dbraw/zinc/28/95/82/569289582.db2.gz KQUCJZXBPZWNTJ-UHFFFAOYSA-N 0 0 420.487 3.587 40 5 HHBBRN CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000225039580 569323504 /nfs/dbraw/zinc/32/35/04/569323504.db2.gz HEPSYSLDYDEEQI-UHFFFAOYSA-N 0 0 412.851 3.640 40 5 HHBBRN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O ZINC000214984973 569323613 /nfs/dbraw/zinc/32/36/13/569323613.db2.gz UAPNKKJZZMASGZ-CXUHLZMHSA-N 0 0 415.383 3.748 40 5 HHBBRN COc1ccc(Cc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)o2)cc1 ZINC000005788529 569328945 /nfs/dbraw/zinc/32/89/45/569328945.db2.gz YXVYJHXUSFECSR-UHFFFAOYSA-N 0 0 414.443 3.616 40 5 HHBBRN CCN(CC)C(=O)[C@H]1CCCN(C(=O)Nc2cc3cccnc3c3cccnc23)C1 ZINC000006274486 569330314 /nfs/dbraw/zinc/33/03/14/569330314.db2.gz NYXSRDCOVGOABL-KRWDZBQOSA-N 0 0 405.502 3.895 40 5 HHBBRN Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1C ZINC000008413019 569340413 /nfs/dbraw/zinc/34/04/13/569340413.db2.gz JURPRXSNTZIUPX-UHFFFAOYSA-N 0 0 413.430 3.502 40 5 HHBBRN Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000008571656 569341806 /nfs/dbraw/zinc/34/18/06/569341806.db2.gz CCXYANSFSHJKKT-UHFFFAOYSA-N 0 0 400.416 3.596 40 5 HHBBRN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OS(=O)(=O)c1ccccc1 ZINC000033726127 569351156 /nfs/dbraw/zinc/35/11/56/569351156.db2.gz XISLUGXVEBRBCD-PKNBQFBNSA-N 0 0 416.411 3.838 40 5 HHBBRN CCCCOC(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000066013451 569393911 /nfs/dbraw/zinc/39/39/11/569393911.db2.gz GQVILTYTUGIWMB-UHFFFAOYSA-N 0 0 402.403 3.578 40 5 HHBBRN Cc1sc2ncn3c(SCC(=O)Nc4ccc([N+](=O)[O-])cc4)nnc3c2c1C ZINC000012491030 569401608 /nfs/dbraw/zinc/40/16/08/569401608.db2.gz DUBZQJCHQFESIQ-UHFFFAOYSA-N 0 0 414.472 3.595 40 5 HHBBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc([N+](=O)[O-])c(OC)cc3OC)N21 ZINC000260778000 569409704 /nfs/dbraw/zinc/40/97/04/569409704.db2.gz QVZQQMKIKMUKGH-HQOQDVMHSA-N 0 0 414.487 3.986 40 5 HHBBRN COc1ccc(Nc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)c([N+](=O)[O-])c1 ZINC000329007598 569423531 /nfs/dbraw/zinc/42/35/31/569423531.db2.gz LLOJRHOQHGQABP-UHFFFAOYSA-N 0 0 420.473 3.787 40 5 HHBBRN CC(C)CC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000039754930 571134312 /nfs/dbraw/zinc/13/43/12/571134312.db2.gz MOMGUDRGDATQNG-UHFFFAOYSA-N 0 0 409.402 3.882 40 5 HHBBRN CNc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000015303988 132461443 /nfs/dbraw/zinc/46/14/43/132461443.db2.gz DOLNMKBQJQFAMZ-UHFFFAOYSA-N 0 0 424.379 3.744 40 5 HHBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000006970237 527627890 /nfs/dbraw/zinc/62/78/90/527627890.db2.gz GSIDHJYBJZMBHM-BQYQJAHWSA-N 0 0 416.821 3.518 40 5 HHBBRN Cc1c(NC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cccc1[N+](=O)[O-] ZINC000219999080 558869592 /nfs/dbraw/zinc/86/95/92/558869592.db2.gz FPYIAORVIJKMEC-UHFFFAOYSA-N 0 0 417.487 3.576 40 5 HHBBRN COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)C1=O ZINC000205691237 558916543 /nfs/dbraw/zinc/91/65/43/558916543.db2.gz FWQMVSAFJDZOHU-LZYBPNLTSA-N 0 0 416.411 3.681 40 5 HHBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])c(OC)c2)nnc1-c1ccccc1 ZINC000408556762 559218116 /nfs/dbraw/zinc/21/81/16/559218116.db2.gz LLBQWFVAPPORAE-UHFFFAOYSA-N 0 0 413.459 3.613 40 5 HHBBRN COC(=O)c1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1 ZINC000408568160 559218676 /nfs/dbraw/zinc/21/86/76/559218676.db2.gz HUYNABHBPRHKDF-KRWDZBQOSA-N 0 0 416.434 3.612 40 5 HHBBRN CCN(CC)C(=O)c1ccccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000408563486 559219096 /nfs/dbraw/zinc/21/90/96/559219096.db2.gz NJPPLZNJLOTNOD-UHFFFAOYSA-N 0 0 401.488 3.949 40 5 HHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccccc2C(F)(F)F)CC1=O ZINC000408638191 559222687 /nfs/dbraw/zinc/22/26/87/559222687.db2.gz BTEPIUIONRRQJG-LLVKDONJSA-N 0 0 423.347 3.614 40 5 HHBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 ZINC000408683146 559224676 /nfs/dbraw/zinc/22/46/76/559224676.db2.gz KNCSAPXQFIIWFU-AYBZRNKSSA-N 0 0 421.453 3.573 40 5 HHBBRN COC(=O)c1c(C)c(C(=O)Nc2cccc([N+](=O)[O-])c2)sc1NC(=O)C(C)C ZINC000005007087 559226581 /nfs/dbraw/zinc/22/65/81/559226581.db2.gz YEJLMUPZXJEGKN-UHFFFAOYSA-N 0 0 405.432 3.598 40 5 HHBBRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000408927333 559231756 /nfs/dbraw/zinc/23/17/56/559231756.db2.gz ZCYKQVUKCJIOIR-UHFFFAOYSA-N 0 0 411.439 3.956 40 5 HHBBRN CCc1ccc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@](O)(C(F)(F)F)C2)cc1 ZINC000409108166 559240769 /nfs/dbraw/zinc/24/07/69/559240769.db2.gz VJEIHQONSHMJTH-GOSISDBHSA-N 0 0 407.348 3.658 40 5 HHBBRN CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409135152 559242119 /nfs/dbraw/zinc/24/21/19/559242119.db2.gz VAIYYTHENSJQOU-XJKSGUPXSA-N 0 0 403.508 3.660 40 5 HHBBRN COc1ccc(-c2ccc(C(=O)n3c(C)c(C(N)=O)c4ccccc43)o2)c([N+](=O)[O-])c1 ZINC000226767948 559273966 /nfs/dbraw/zinc/27/39/66/559273966.db2.gz YSSXLDFFUKZAOD-UHFFFAOYSA-N 0 0 419.393 3.914 40 5 HHBBRN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)cc1NC(=O)CC(C)C ZINC000001324354 560573049 /nfs/dbraw/zinc/57/30/49/560573049.db2.gz ZMZLDRNSOLASNE-UHFFFAOYSA-N 0 0 401.419 3.849 40 5 HHBBRN Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3O)o2)cc1[N+](=O)[O-] ZINC000004891229 560615413 /nfs/dbraw/zinc/61/54/13/560615413.db2.gz QRHBVNSZFCTPNS-NSHDSACASA-N 0 0 400.416 3.778 40 5 HHBBRN CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1OC ZINC000004977138 560622838 /nfs/dbraw/zinc/62/28/38/560622838.db2.gz BUYNPJVHKFILEO-UHFFFAOYSA-N 0 0 413.459 3.613 40 5 HHBBRN O=C(Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1)Nc1cccc([N+](=O)[O-])c1 ZINC000409136951 560682550 /nfs/dbraw/zinc/68/25/50/560682550.db2.gz UEWJXPXHMZVKFK-UHFFFAOYSA-N 0 0 411.399 3.502 40 5 HHBBRN O=C(Cn1ccsc1=NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000409205519 560694240 /nfs/dbraw/zinc/69/42/40/560694240.db2.gz OLEHGTKIXSHXMK-ZZEZOPTASA-N 0 0 401.831 3.735 40 5 HHBBRN O=C1N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccccc1 ZINC000409244861 560701280 /nfs/dbraw/zinc/70/12/80/560701280.db2.gz JRVHFODKBODHOU-XDHOZWIPSA-N 0 0 416.393 3.875 40 5 HHBBRN O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br ZINC000005390917 560737486 /nfs/dbraw/zinc/73/74/86/560737486.db2.gz MZSIBJDCJNOCKY-RMKNXTFCSA-N 0 0 406.261 3.884 40 5 HHBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224055371 568568017 /nfs/dbraw/zinc/56/80/17/568568017.db2.gz QWVNUDVVHFGSJO-HNNXBMFYSA-N 0 0 415.465 3.608 40 5 HHBBRN Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1C ZINC000019928040 568585927 /nfs/dbraw/zinc/58/59/27/568585927.db2.gz JOXODHOPJQILQY-UHFFFAOYSA-N 0 0 414.443 3.904 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1-n1ccc2nc(N3CCc4ccccc4C3)ncc2c1=O ZINC000019959042 568586266 /nfs/dbraw/zinc/58/62/66/568586266.db2.gz SLEJMVPRWZFLAQ-UHFFFAOYSA-N 0 0 413.437 3.560 40 5 HHBBRN O=C(CSc1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000020410812 568604718 /nfs/dbraw/zinc/60/47/18/568604718.db2.gz BMRPTVGXGKVUDN-UHFFFAOYSA-N 0 0 407.879 3.816 40 5 HHBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225097221 568614182 /nfs/dbraw/zinc/61/41/82/568614182.db2.gz IOSAZNLXAWGWSQ-MSOLQXFVSA-N 0 0 411.502 3.778 40 5 HHBBRN COc1ccc(-n2nc3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3n2)cc1 ZINC000020610039 568636558 /nfs/dbraw/zinc/63/65/58/568636558.db2.gz IMMAIDWXYWUNPV-LFYBBSHMSA-N 0 0 415.409 3.989 40 5 HHBBRN Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000000867232 568713710 /nfs/dbraw/zinc/71/37/10/568713710.db2.gz TUJBRIPAOBTKPR-KRWDZBQOSA-N 0 0 416.890 3.988 40 5 HHBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222461169 568760142 /nfs/dbraw/zinc/76/01/42/568760142.db2.gz KKFDFDPMTJCJET-FQEVSTJZSA-N 0 0 411.502 3.778 40 5 HHBBRN CCc1ccc(NC(=O)[C@H](CC)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000222533969 568762822 /nfs/dbraw/zinc/76/28/22/568762822.db2.gz DLXMXZZBJYUHKX-SFHVURJKSA-N 0 0 419.503 3.649 40 5 HHBBRN COc1cc(OC)c([N+](=O)[O-])cc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222565926 568763687 /nfs/dbraw/zinc/76/36/87/568763687.db2.gz BBEXCTUEDSFGBB-FJNPEDAXSA-N 0 0 400.460 3.596 40 5 HHBBRN COc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c([N+](=O)[O-])cc1OC ZINC000222565529 568763776 /nfs/dbraw/zinc/76/37/76/568763776.db2.gz RKDFNWFYSMGGEV-UZCIPKQKSA-N 0 0 400.460 3.596 40 5 HHBBRN CCCN(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000022257176 568765654 /nfs/dbraw/zinc/76/56/54/568765654.db2.gz NQUCBHUTSAWICI-UHFFFAOYSA-N 0 0 410.430 3.771 40 5 HHBBRN CCc1ccc(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 ZINC000222644870 568766477 /nfs/dbraw/zinc/76/64/77/568766477.db2.gz HJLNZXCQPMPABU-UHFFFAOYSA-N 0 0 419.503 3.651 40 5 HHBBRN Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222751463 568770966 /nfs/dbraw/zinc/77/09/66/568770966.db2.gz MYEPMDPAINMQNL-KRWDZBQOSA-N 0 0 411.502 3.778 40 5 HHBBRN CC(=O)Nc1ccc(OS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c2ccccc12 ZINC000226862653 568824772 /nfs/dbraw/zinc/82/47/72/568824772.db2.gz MPZGGPLJQWJVFN-UHFFFAOYSA-N 0 0 404.375 3.613 40 5 HHBBRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000057316857 568826435 /nfs/dbraw/zinc/82/64/35/568826435.db2.gz KNOLYXYGRWAQPU-UHFFFAOYSA-N 0 0 410.474 3.542 40 5 HHBBRN Cc1nc2ccccn2c1-c1nnc2sc(/C=C/c3ccc([N+](=O)[O-])cc3)nn21 ZINC000227143689 568828005 /nfs/dbraw/zinc/82/80/05/568828005.db2.gz CRIKCIPXWBKZHJ-JXMROGBWSA-N 0 0 403.427 3.888 40 5 HHBBRN CC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN12 ZINC000034849529 568829269 /nfs/dbraw/zinc/82/92/69/568829269.db2.gz VSFJRMLOGUIBII-HCXYKTFWSA-N 0 0 414.259 3.540 40 5 HHBBRN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000015408338 568885484 /nfs/dbraw/zinc/88/54/84/568885484.db2.gz NDGBTAQLEQEZSP-UHFFFAOYSA-N 0 0 411.439 3.672 40 5 HHBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222998744 568908891 /nfs/dbraw/zinc/90/88/91/568908891.db2.gz YXKBTVHILGHPQV-GOSISDBHSA-N 0 0 411.502 3.779 40 5 HHBBRN Cc1cccc(-c2noc(CN(C)C(=O)CSCc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000218053856 568924962 /nfs/dbraw/zinc/92/49/62/568924962.db2.gz FEYIEUKUZRYWEP-UHFFFAOYSA-N 0 0 412.471 3.845 40 5 HHBBRN CCc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c(Br)c1 ZINC000008200236 568981220 /nfs/dbraw/zinc/98/12/20/568981220.db2.gz IERCNOJDBRJWJG-UHFFFAOYSA-N 0 0 409.236 3.946 40 5 HHBBRN Cc1cc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)ccc1[N+](=O)[O-] ZINC000008336521 568993140 /nfs/dbraw/zinc/99/31/40/568993140.db2.gz NDJUZBRDCQNGDF-UHFFFAOYSA-N 0 0 401.378 3.956 40 5 HHBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)o2)c1 ZINC000223637304 569030675 /nfs/dbraw/zinc/03/06/75/569030675.db2.gz KFNLUGQQQXLCFT-UXHICEINSA-N 0 0 424.482 3.605 40 5 HHBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)o2)c1 ZINC000223637386 569030713 /nfs/dbraw/zinc/03/07/13/569030713.db2.gz KFNLUGQQQXLCFT-PMACEKPBSA-N 0 0 424.482 3.605 40 5 HHBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)o2)c1 ZINC000223637249 569030720 /nfs/dbraw/zinc/03/07/20/569030720.db2.gz KFNLUGQQQXLCFT-WOJBJXKFSA-N 0 0 424.482 3.605 40 5 HHBBRN COC(=O)/C(=C/c1ccccc1[N+](=O)[O-])c1cc2c(cc1Br)OCO2 ZINC000001716382 569032906 /nfs/dbraw/zinc/03/29/06/569032906.db2.gz VWDKDQFKYJAQOH-WUXMJOGZSA-N 0 0 406.188 3.800 40 5 HHBBRN O=C(c1noc(-c2ccco2)c1S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000016491570 569055713 /nfs/dbraw/zinc/05/57/13/569055713.db2.gz HTRIJFVPTFOPPN-UHFFFAOYSA-N 0 0 424.390 3.907 40 5 HHBBRN O=C(Oc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000001917861 569058646 /nfs/dbraw/zinc/05/86/46/569058646.db2.gz IRDAYROQLCLJCD-UHFFFAOYSA-N 0 0 416.389 3.653 40 5 HHBBRN Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000017093612 569273408 /nfs/dbraw/zinc/27/34/08/569273408.db2.gz QQYQMLAUBJAWFA-UHFFFAOYSA-N 0 0 423.498 3.961 40 5 HHBBRN Cc1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(O)c1 ZINC000017089889 569274171 /nfs/dbraw/zinc/27/41/71/569274171.db2.gz RHKKJLSNLPKAEE-UHFFFAOYSA-N 0 0 414.487 3.726 40 5 HHBBRN CCC(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000017090889 569274642 /nfs/dbraw/zinc/27/46/42/569274642.db2.gz AMMHXGOYAQQAFR-UHFFFAOYSA-N 0 0 416.865 3.559 40 5 HHBBRN CC1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)CC1 ZINC000007910030 569320045 /nfs/dbraw/zinc/32/00/45/569320045.db2.gz GEWOWAQPRABQPX-UHFFFAOYSA-N 0 0 424.501 3.920 40 5 HHBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225056821 569324803 /nfs/dbraw/zinc/32/48/03/569324803.db2.gz VKLJUGHZFGNBSP-MSOLQXFVSA-N 0 0 411.502 3.778 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1nc(COc2ccccc2C)oc1=S ZINC000008571595 569341820 /nfs/dbraw/zinc/34/18/20/569341820.db2.gz KEXMGEBEYXQDTO-UHFFFAOYSA-N 0 0 414.443 3.948 40 5 HHBBRN Cc1ccc(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1C ZINC000010334471 569343928 /nfs/dbraw/zinc/34/39/28/569343928.db2.gz SADMLZGAORBCHB-UHFFFAOYSA-N 0 0 419.503 3.705 40 5 HHBBRN Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)c1 ZINC000033626875 569350753 /nfs/dbraw/zinc/35/07/53/569350753.db2.gz CEYZWBYWCVOQRR-AWEZNQCLSA-N 0 0 411.487 3.815 40 5 HHBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225255547 569376609 /nfs/dbraw/zinc/37/66/09/569376609.db2.gz QPBALRYZENKCHE-LJQANCHMSA-N 0 0 415.465 3.610 40 5 HHBBRN O=[N+]([O-])c1ccc(Nc2nc(Nc3ccccn3)nc(Nc3ccccn3)n2)cc1 ZINC000008815561 569390378 /nfs/dbraw/zinc/39/03/78/569390378.db2.gz ABACVFSQAPDFOQ-UHFFFAOYSA-N 0 0 401.390 3.801 40 5 HHBBRN Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3C)o2)c([N+](=O)[O-])c1 ZINC000009198609 569391868 /nfs/dbraw/zinc/39/18/68/569391868.db2.gz FLKDUSRZFVBNLD-UHFFFAOYSA-N 0 0 414.443 3.904 40 5 HHBBRN CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225424145 569395657 /nfs/dbraw/zinc/39/56/57/569395657.db2.gz XARHXIPLPOBLGL-ZWKOTPCHSA-N 0 0 411.502 3.512 40 5 HHBBRN COc1c2c(cc3oc4c(CCC(C)(C)O)ccc(O)c4c(=O)c31)O[C@@H]1OC=C[C@H]21 ZINC000013374571 291252191 /nfs/dbraw/zinc/25/21/91/291252191.db2.gz MLCZRFXGJOUFHE-IPQOISQHSA-N 0 0 410.422 3.710 40 5 biogenic,in-vitro HHBBRN COc1cc(OCC(=O)NCCCc2ccc(OC(C)C)cc2)ccc1[N+](=O)[O-] ZINC000219826062 558287497 /nfs/dbraw/zinc/28/74/97/558287497.db2.gz JXAKYQDDRXOXIO-UHFFFAOYSA-N 0 0 402.447 3.518 40 5 HHBBRN Cc1ccc(C)c(Oc2cc([N+](=O)[O-])cc(N3C(=O)[C@H]4[C@H]5CC[C@H](O5)[C@@H]4C3=O)c2)c1 ZINC000013960267 559032407 /nfs/dbraw/zinc/03/24/07/559032407.db2.gz CZYFRFJXXXEKSW-HNJRGHQBSA-N 0 0 408.410 3.671 40 5 HHBBRN COc1ccc(OC)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)c1 ZINC000408565054 559218609 /nfs/dbraw/zinc/21/86/09/559218609.db2.gz BBSHKUXXIMFBLL-GOSISDBHSA-N 0 0 400.460 3.703 40 5 HHBBRN Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3F)o2)cc1[N+](=O)[O-] ZINC000408580124 559219380 /nfs/dbraw/zinc/21/93/80/559219380.db2.gz AKIKGIHTZZEFKK-UHFFFAOYSA-N 0 0 418.406 3.735 40 5 HHBBRN CCN(CC)C(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000408603654 559220818 /nfs/dbraw/zinc/22/08/18/559220818.db2.gz GPFAVWZZJOYXGF-GOSISDBHSA-N 0 0 414.487 3.516 40 5 HHBBRN O=C(NC(=S)Nc1cccc(F)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000408624506 559221913 /nfs/dbraw/zinc/22/19/13/559221913.db2.gz UVAFNAUNNAUUBM-UHFFFAOYSA-N 0 0 402.451 3.851 40 5 HHBBRN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])o1 ZINC000408625318 559221931 /nfs/dbraw/zinc/22/19/31/559221931.db2.gz XJLYVFYZKVHYFL-UHFFFAOYSA-N 0 0 400.416 3.693 40 5 HHBBRN COc1ccc(NC(=S)NC(=O)c2ccc(OCC(C)C)cc2)cc1[N+](=O)[O-] ZINC000408628176 559222138 /nfs/dbraw/zinc/22/21/38/559222138.db2.gz QHENVCHBJHFQOZ-UHFFFAOYSA-N 0 0 403.460 3.765 40 5 HHBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(OC)c(OC)cc3[N+](=O)[O-])S2)cc1 ZINC000408774133 559227055 /nfs/dbraw/zinc/22/70/55/559227055.db2.gz ADJRBPRZHODGQU-JYWRCUDFSA-N 0 0 415.471 3.774 40 5 HHBBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccccc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000005054588 559237326 /nfs/dbraw/zinc/23/73/26/559237326.db2.gz OBTZGXKXSUAATG-NJYVYQBISA-N 0 0 415.405 3.646 40 5 HHBBRN COc1ccc(-c2nc(S[C@H](C)C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000005518897 560626829 /nfs/dbraw/zinc/62/68/29/560626829.db2.gz QPAULWLBZNRHRU-GFCCVEGCSA-N 0 0 413.459 3.816 40 5 HHBBRN O=C(Oc1ccccc1/C=C1/N=C(c2ccc([N+](=O)[O-])cc2)OC1=O)c1ccco1 ZINC000408842233 560646158 /nfs/dbraw/zinc/64/61/58/560646158.db2.gz JHKIBJIPKYVTAP-FOWTUZBSSA-N 0 0 404.334 3.752 40 5 HHBBRN COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c([N+](=O)[O-])cc1OC ZINC000409005824 560664541 /nfs/dbraw/zinc/66/45/41/560664541.db2.gz GLUHHAFMUFWCLJ-WQRHYEAKSA-N 0 0 414.439 3.891 40 5 HHBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409176761 560687284 /nfs/dbraw/zinc/68/72/84/560687284.db2.gz WZINHRADVBOVNM-GZTJUZNOSA-N 0 0 411.439 3.832 40 5 HHBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)c(C)c1 ZINC000409180363 560688262 /nfs/dbraw/zinc/68/82/62/560688262.db2.gz RAJNNHRMQADUHB-LICLKQGHSA-N 0 0 411.439 3.887 40 5 HHBBRN CCOc1cccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000409334371 560710731 /nfs/dbraw/zinc/71/07/31/560710731.db2.gz XEZYSOSSVBMOSF-WQRHYEAKSA-N 0 0 412.423 3.913 40 5 HHBBRN CCCCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC)c3)CC2)cc1 ZINC000013633008 560825827 /nfs/dbraw/zinc/82/58/27/560825827.db2.gz IIQGMAAYPZHLOK-UHFFFAOYSA-N 0 0 412.490 3.778 40 5 HHBBRN O=C1S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1Cc1ccccc1F ZINC000106696481 560892968 /nfs/dbraw/zinc/89/29/68/560892968.db2.gz AGVLMNXPZUBAMR-SOFYXZRVSA-N 0 0 402.359 3.699 40 5 HHBBRN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000000781478 568474405 /nfs/dbraw/zinc/47/44/05/568474405.db2.gz CIRKKMVEODCIGM-UHFFFAOYSA-N 0 0 411.487 3.836 40 5 HHBBRN Cc1ccc(-n2ccc3nc(N4CCc5ccccc5C4)ncc3c2=O)cc1[N+](=O)[O-] ZINC000019959021 568586273 /nfs/dbraw/zinc/58/62/73/568586273.db2.gz ALBFSFFYPLPMOV-UHFFFAOYSA-N 0 0 413.437 3.560 40 5 HHBBRN CCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1Cl ZINC000020410773 568604743 /nfs/dbraw/zinc/60/47/43/568604743.db2.gz NEWZTKAAYOAPTH-UHFFFAOYSA-N 0 0 405.838 3.736 40 5 HHBBRN CCCc1nnc2sc(-c3cccc(NC(=O)c4ccccc4[N+](=O)[O-])c3)nn12 ZINC000020609661 568636393 /nfs/dbraw/zinc/63/63/93/568636393.db2.gz PWETWBJHWOQNFA-UHFFFAOYSA-N 0 0 408.443 3.966 40 5 HHBBRN Cc1cc(Br)c(S(=O)(=O)n2cnc3cc([N+](=O)[O-])ccc32)cc1C ZINC000096305696 568722943 /nfs/dbraw/zinc/72/29/43/568722943.db2.gz UJXFNCLZCGWRLA-UHFFFAOYSA-N 0 0 410.249 3.561 40 5 HHBBRN Cc1cc(=O)oc2c1ccc(OC(=O)c1ccc(Br)cc1)c2[N+](=O)[O-] ZINC000000952611 568757449 /nfs/dbraw/zinc/75/74/49/568757449.db2.gz ISYQGVDCUHSEEM-UHFFFAOYSA-N 0 0 404.172 3.991 40 5 HHBBRN O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000022029456 568764351 /nfs/dbraw/zinc/76/43/51/568764351.db2.gz JFYMECBPUQKWEK-UHFFFAOYSA-N 0 0 419.393 3.643 40 5 HHBBRN Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222715627 568769541 /nfs/dbraw/zinc/76/95/41/568769541.db2.gz SGVPOJMZKDFUKR-KRWDZBQOSA-N 0 0 411.502 3.778 40 5 HHBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)o1 ZINC000222762195 568771142 /nfs/dbraw/zinc/77/11/42/568771142.db2.gz PSXRWANUDOEMPP-RTBURBONSA-N 0 0 410.455 3.861 40 5 HHBBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000223035530 568910060 /nfs/dbraw/zinc/91/00/60/568910060.db2.gz GBRFQFSIFFIXIZ-VQTJNVASSA-N 0 0 424.482 3.869 40 5 HHBBRN COc1cccc(-c2noc(CN(C)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)c1 ZINC000218126844 568926285 /nfs/dbraw/zinc/92/62/85/568926285.db2.gz UWCALCWRQZUFCG-UHFFFAOYSA-N 0 0 402.794 3.579 40 5 HHBBRN Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223808160 569031734 /nfs/dbraw/zinc/03/17/34/569031734.db2.gz GFGFYXLAZCZFIK-SFHVURJKSA-N 0 0 423.513 3.922 40 5 HHBBRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCO2)c1c[nH]c2ccc(Br)cc12 ZINC000001686451 569031921 /nfs/dbraw/zinc/03/19/21/569031921.db2.gz KPRHDEMUYRGXGM-UHFFFAOYSA-N 0 0 403.188 3.993 40 5 HHBBRN CCOC(=O)COc1ccc(Br)cc1/C=C\c1onc(C)c1[N+](=O)[O-] ZINC000016448432 569051451 /nfs/dbraw/zinc/05/14/51/569051451.db2.gz YFHOJYKFOLCZLG-XQRVVYSFSA-N 0 0 411.208 3.766 40 5 HHBBRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224271053 569056742 /nfs/dbraw/zinc/05/67/42/569056742.db2.gz AGLRRSFFLOTLMX-GOSISDBHSA-N 0 0 417.893 3.734 40 5 HHBBRN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000016682521 569070336 /nfs/dbraw/zinc/07/03/36/569070336.db2.gz RGXUELLHXLRPNJ-INIZCTEOSA-N 0 0 421.862 3.864 40 5 HHBBRN CC(=O)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000017089165 569273646 /nfs/dbraw/zinc/27/36/46/569273646.db2.gz WCMLPBBEEBDGBD-UHFFFAOYSA-N 0 0 412.471 3.524 40 5 HHBBRN COc1ccc(C(=O)NC(=S)Nc2nc3c(cc(C)cc3C)s2)cc1[N+](=O)[O-] ZINC000017090639 569273674 /nfs/dbraw/zinc/27/36/74/569273674.db2.gz NILRPZSTCFYKML-UHFFFAOYSA-N 0 0 416.484 3.957 40 5 HHBBRN COc1ccc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1OC ZINC000017088360 569274062 /nfs/dbraw/zinc/27/40/62/569274062.db2.gz CSHZRYMFGKAURQ-UHFFFAOYSA-N 0 0 409.851 3.701 40 5 HHBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(OC)c1O ZINC000215026227 569323954 /nfs/dbraw/zinc/32/39/54/569323954.db2.gz YEVPJGRDEQNQIT-CXUHLZMHSA-N 0 0 416.411 3.554 40 5 HHBBRN CCN(CC)C(=O)[C@@H]1CCCN(C(=O)Nc2cc3ccncc3c3ncccc23)C1 ZINC000006274480 569330316 /nfs/dbraw/zinc/33/03/16/569330316.db2.gz ADCGBFOEFASIJK-QGZVFWFLSA-N 0 0 405.502 3.895 40 5 HHBBRN CCOC(=O)c1c2c(sc1N1C(=O)c3ccc([N+](=O)[O-])cc3C1=O)CCCC2 ZINC000006327511 569331078 /nfs/dbraw/zinc/33/10/78/569331078.db2.gz GGVGDUVWOVWHLE-UHFFFAOYSA-N 0 0 400.412 3.512 40 5 HHBBRN Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000008412972 569340402 /nfs/dbraw/zinc/34/04/02/569340402.db2.gz UBLPGEIUHGHAIR-UHFFFAOYSA-N 0 0 413.430 3.502 40 5 HHBBRN CC(C)Oc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000015534230 569345001 /nfs/dbraw/zinc/34/50/01/569345001.db2.gz IERBXOKGJNZXMP-UHFFFAOYSA-N 0 0 403.866 3.998 40 5 HHBBRN CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000033620040 569350773 /nfs/dbraw/zinc/35/07/73/569350773.db2.gz MFUMCRKRYXJTSV-UHFFFAOYSA-N 0 0 412.471 3.781 40 5 HHBBRN Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)cc1 ZINC000033736831 569351178 /nfs/dbraw/zinc/35/11/78/569351178.db2.gz KRISFEFUUUKART-AWEZNQCLSA-N 0 0 411.487 3.815 40 5 HHBBRN CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225425151 569395680 /nfs/dbraw/zinc/39/56/80/569395680.db2.gz JTZUXVZYQKYQBB-FQEVSTJZSA-N 0 0 411.502 3.513 40 5 HHBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225461062 569398909 /nfs/dbraw/zinc/39/89/09/569398909.db2.gz LIQXFFGTSUMQTF-PXNSSMCTSA-N 0 0 411.502 3.859 40 5 HHBBRN COc1ccc(Nc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)c([N+](=O)[O-])c1 ZINC000328962917 569422797 /nfs/dbraw/zinc/42/27/97/569422797.db2.gz BKNPVEBHARRLHW-UHFFFAOYSA-N 0 0 420.473 3.787 40 5 HHBBRN CC(C)[C@@H](CO)Nc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2ccccc2)n1 ZINC000328989000 571305870 /nfs/dbraw/zinc/30/58/70/571305870.db2.gz IHMMPXHZEPPGDQ-LJQANCHMSA-N 0 0 407.474 4.093 40 5 HHBBRN O=[N+]([O-])c1cccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3Cc3cccs3)n2)c1 ZINC000015675746 291260075 /nfs/dbraw/zinc/26/00/75/291260075.db2.gz OIGGJQFNRXTBMP-KRWDZBQOSA-N 0 0 408.443 3.729 40 5 biogenic,in-vitro HHBBRN COc1ccc2ccc3c(OC(C)=O)ccc(CCN(C)C(C)=O)c3c2c1OC(C)=O ZINC000001597217 557275236 /nfs/dbraw/zinc/27/52/36/557275236.db2.gz OVYRWYKTBOBMHR-UHFFFAOYSA-N 0 0 423.465 3.873 40 5 HHBBRN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716624 558857966 /nfs/dbraw/zinc/85/79/66/558857966.db2.gz CBBAXGKKZVJQBB-LJQANCHMSA-N 0 0 419.503 3.703 40 5 HHBBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000205784541 559054439 /nfs/dbraw/zinc/05/44/39/559054439.db2.gz SNDNZTTWXIDPHL-CXUHLZMHSA-N 0 0 416.411 3.843 40 5 HHBBRN CC(C)c1ccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220399715 559069024 /nfs/dbraw/zinc/06/90/24/559069024.db2.gz XPGHKUWAURLQFP-CQSZACIVSA-N 0 0 405.476 3.511 40 5 HHBBRN CCCCc1ccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220412389 559076724 /nfs/dbraw/zinc/07/67/24/559076724.db2.gz IQVGEYLKZBYLPE-OAHLLOKOSA-N 0 0 419.503 3.731 40 5 HHBBRN CCCCc1ccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220412448 559076738 /nfs/dbraw/zinc/07/67/38/559076738.db2.gz IQVGEYLKZBYLPE-HNNXBMFYSA-N 0 0 419.503 3.731 40 5 HHBBRN Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000014404626 559165612 /nfs/dbraw/zinc/16/56/12/559165612.db2.gz BGVFVLMKNNWIBM-MDZDMXLPSA-N 0 0 405.414 3.839 40 5 HHBBRN COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(I)c1OC ZINC000408544839 559217197 /nfs/dbraw/zinc/21/71/97/559217197.db2.gz VNHYZHZWIUNPRR-PLNGDYQASA-N 0 0 416.171 3.683 40 5 HHBBRN COc1ccc(OC)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)c1 ZINC000408577033 559219314 /nfs/dbraw/zinc/21/93/14/559219314.db2.gz YKZXSRYELONCFT-GOSISDBHSA-N 0 0 418.450 3.842 40 5 HHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2cccc(Cl)c2Cl)CC1=O ZINC000408645273 559223217 /nfs/dbraw/zinc/22/32/17/559223217.db2.gz UOLYXNKKEFKENC-JTQLQIEISA-N 0 0 424.240 3.902 40 5 HHBBRN COCCN1C(=O)S/C(=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1=O ZINC000409216885 559245003 /nfs/dbraw/zinc/24/50/03/559245003.db2.gz PKXYVBFWWJIMGT-MHWRWJLKSA-N 0 0 404.400 3.546 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000409256237 559246667 /nfs/dbraw/zinc/24/66/67/559246667.db2.gz KUNUCQKXPZSQCO-UHFFFAOYSA-N 0 0 419.503 3.551 40 5 HHBBRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)c1 ZINC000409348665 559248029 /nfs/dbraw/zinc/24/80/29/559248029.db2.gz RVZQQKDEEPUYIS-LICLKQGHSA-N 0 0 411.439 3.887 40 5 HHBBRN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000005150651 559253388 /nfs/dbraw/zinc/25/33/88/559253388.db2.gz JKNDIGYSNUGFKR-UHFFFAOYSA-N 0 0 411.439 3.956 40 5 HHBBRN Cc1cccc(OCc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)c1 ZINC000005294831 560562032 /nfs/dbraw/zinc/56/20/32/560562032.db2.gz XDPVZZWXJCDYBM-UHFFFAOYSA-N 0 0 400.416 3.596 40 5 HHBBRN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2([N+](=O)[O-])c4ccccc4C3c3ccccc32)cc1 ZINC000005544421 560607219 /nfs/dbraw/zinc/60/72/19/560607219.db2.gz IGTVEUKVEWXCRB-ZKKFKWFVSA-N 0 0 410.429 3.780 40 5 HHBBRN O=C(NC1CCN(C(=S)Nc2ccccc2Cl)CC1)c1cccc([N+](=O)[O-])c1 ZINC000004888677 560615032 /nfs/dbraw/zinc/61/50/32/560615032.db2.gz JGZLOHHMZAHMJE-UHFFFAOYSA-N 0 0 418.906 3.839 40 5 HHBBRN CCC(=O)n1nc(-c2ccccc2)nc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000004891366 560615410 /nfs/dbraw/zinc/61/54/10/560615410.db2.gz DRCJVBPFGACUHO-UHFFFAOYSA-N 0 0 411.443 3.634 40 5 HHBBRN COc1cc2nc3ccc(NC(=S)N4CCSCC4)cc3nc2cc1OC ZINC000408995298 560662637 /nfs/dbraw/zinc/66/26/37/560662637.db2.gz LWKVSFFKMDTLPY-UHFFFAOYSA-N 0 0 400.529 3.546 40 5 HHBBRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])o2)cc1 ZINC000409008251 560664498 /nfs/dbraw/zinc/66/44/98/560664498.db2.gz XHDTVJNOUZPTFM-UHFFFAOYSA-N 0 0 400.416 3.596 40 5 HHBBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000409018778 560666527 /nfs/dbraw/zinc/66/65/27/560666527.db2.gz ZEKLMYKDICILLP-FFCYNSPCSA-N 0 0 416.411 3.843 40 5 HHBBRN COc1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)oc2=S)c([N+](=O)[O-])c1 ZINC000409160242 560684971 /nfs/dbraw/zinc/68/49/71/560684971.db2.gz WKOSPBRPLKWZDK-UHFFFAOYSA-N 0 0 400.416 3.737 40 5 HHBBRN CC1CCN(c2ccc([N+](=O)[O-])cc2/C=c2/sc3nc4ccccc4n3c2=O)CC1 ZINC000409274399 560705254 /nfs/dbraw/zinc/70/52/54/560705254.db2.gz WPXQPNHITDSALO-DEDYPNTBSA-N 0 0 420.494 3.601 40 5 HHBBRN CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccc(OC)cc1 ZINC000005208498 560737140 /nfs/dbraw/zinc/73/71/40/560737140.db2.gz NAHAHLABGUKVTM-UHFFFAOYSA-N 0 0 413.459 3.613 40 5 HHBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(Br)c(Cl)c2)c1 ZINC000020042315 568586724 /nfs/dbraw/zinc/58/67/24/568586724.db2.gz GFVGEHXDWCFCIK-UHFFFAOYSA-N 0 0 405.657 3.953 40 5 HHBBRN CC(C)OC(=O)c1ccc2nc(NC(=O)COc3ccccc3[N+](=O)[O-])sc2c1 ZINC000020411848 568604755 /nfs/dbraw/zinc/60/47/55/568604755.db2.gz OZUCBXAHFDULPX-UHFFFAOYSA-N 0 0 415.427 3.787 40 5 HHBBRN Cc1cc(C)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)c(Cl)c1 ZINC000020611890 568636456 /nfs/dbraw/zinc/63/64/56/568636456.db2.gz KTABSFHUFXISQB-UHFFFAOYSA-N 0 0 419.865 3.719 40 5 HHBBRN Cc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4[N+](=O)[O-])cc3n2)cc1 ZINC000020609997 568636563 /nfs/dbraw/zinc/63/65/63/568636563.db2.gz SQVLVKQHNJGRLF-UHFFFAOYSA-N 0 0 403.398 3.655 40 5 HHBBRN O=C(Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1ccccc1-c1ccccc1 ZINC000000878029 568726267 /nfs/dbraw/zinc/72/62/67/568726267.db2.gz NHBBGIMIVZCMPW-UHFFFAOYSA-N 0 0 400.398 3.554 40 5 HHBBRN Cc1cccc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1C ZINC000222373262 568752554 /nfs/dbraw/zinc/75/25/54/568752554.db2.gz CZUOGAYHBZHXIH-UHFFFAOYSA-N 0 0 419.503 3.705 40 5 HHBBRN Cc1cc(C)cc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000222371945 568752626 /nfs/dbraw/zinc/75/26/26/568752626.db2.gz MMVOYWVPPKSTOP-UHFFFAOYSA-N 0 0 419.503 3.705 40 5 HHBBRN CCc1ccccc1NC(=O)[C@H](CC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222531845 568762781 /nfs/dbraw/zinc/76/27/81/568762781.db2.gz LNFIEGDHVJEGRL-SFHVURJKSA-N 0 0 419.503 3.649 40 5 HHBBRN O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000022029419 568764357 /nfs/dbraw/zinc/76/43/57/568764357.db2.gz OUPIQJPUWKHGEJ-UHFFFAOYSA-N 0 0 419.393 3.643 40 5 HHBBRN Cc1cc(OCC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)ccc1[N+](=O)[O-] ZINC000022257342 568765743 /nfs/dbraw/zinc/76/57/43/568765743.db2.gz AOTKYYJGRBDETN-UHFFFAOYSA-N 0 0 416.821 3.644 40 5 HHBBRN CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000022257225 568765763 /nfs/dbraw/zinc/76/57/63/568765763.db2.gz MOZVQHCKZYPWNT-UHFFFAOYSA-N 0 0 410.430 3.689 40 5 HHBBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(OC)c(OC)cc3[N+](=O)[O-])N21 ZINC000222649322 568766540 /nfs/dbraw/zinc/76/65/40/568766540.db2.gz UJEHBRXHYJFQQI-ZUSMLRIVSA-N 0 0 414.487 3.986 40 5 HHBBRN O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C(=O)N1c1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1 ZINC000002730600 568804415 /nfs/dbraw/zinc/80/44/15/568804415.db2.gz UOTQFAQAAWCIGH-USTZCAOPSA-N 0 0 414.801 3.707 40 5 HHBBRN CC(C)=C1[C@@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@H]21 ZINC000015223191 568819063 /nfs/dbraw/zinc/81/90/63/568819063.db2.gz JGFKJRJPMAOZLQ-OXUXUCFPSA-N 0 0 403.232 3.615 40 5 HHBBRN CCC(=O)Nc1nc2ccc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2s1 ZINC000057315607 568826382 /nfs/dbraw/zinc/82/63/82/568826382.db2.gz PTFQFKXIVLLTNH-UHFFFAOYSA-N 0 0 400.416 3.814 40 5 HHBBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000223035579 568909993 /nfs/dbraw/zinc/90/99/93/568909993.db2.gz GBRFQFSIFFIXIZ-WOJBJXKFSA-N 0 0 424.482 3.869 40 5 HHBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223096803 568913714 /nfs/dbraw/zinc/91/37/14/568913714.db2.gz WHHLZLOCLDWAHC-GOSISDBHSA-N 0 0 411.502 3.779 40 5 HHBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223090613 568913911 /nfs/dbraw/zinc/91/39/11/568913911.db2.gz GJHYEBNTJXVFOK-HOTGVXAUSA-N 0 0 415.465 3.608 40 5 HHBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc2nsnc2c1 ZINC000059294508 568950302 /nfs/dbraw/zinc/95/03/02/568950302.db2.gz ZGGHDVCRLCPKKP-UHFFFAOYSA-N 0 0 407.864 3.688 40 5 HHBBRN O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)Nc1nc2ccc(Cl)cc2s1 ZINC000016429265 569050234 /nfs/dbraw/zinc/05/02/34/569050234.db2.gz LHSNUCLMQQWRTJ-UHFFFAOYSA-N 0 0 422.875 3.750 40 5 HHBBRN Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224146333 569052824 /nfs/dbraw/zinc/05/28/24/569052824.db2.gz HXHKAYZVVBOHRL-SFHVURJKSA-N 0 0 411.502 3.635 40 5 HHBBRN O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2)N1C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000138587148 569146310 /nfs/dbraw/zinc/14/63/10/569146310.db2.gz VKIRJIZHXLRABL-RCCQNZRSSA-N 0 0 417.377 3.952 40 5 HHBBRN Cc1nc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1I ZINC000006960151 569190212 /nfs/dbraw/zinc/19/02/12/569190212.db2.gz NWFVQHPKSZNNSS-VMPITWQZSA-N 0 0 409.183 3.555 40 5 HHBBRN CCSC1=NN2[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)Nc3ccccc3[C@H]2C(=O)N1 ZINC000588229069 569246187 /nfs/dbraw/zinc/24/61/87/569246187.db2.gz BPADGLUYUSWQFD-JKSUJKDBSA-N 0 0 417.878 3.870 40 5 HHBBRN CCOc1ccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000017082388 569273041 /nfs/dbraw/zinc/27/30/41/569273041.db2.gz APZHWJROEQXLST-UHFFFAOYSA-N 0 0 402.457 3.730 40 5 HHBBRN Cc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2F)cc1[N+](=O)[O-] ZINC000017089084 569273517 /nfs/dbraw/zinc/27/35/17/569273517.db2.gz JSYWYXIFNRIDRA-UHFFFAOYSA-N 0 0 412.240 3.932 40 5 HHBBRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccccc1[N+](=O)[O-] ZINC000017093775 569274145 /nfs/dbraw/zinc/27/41/45/569274145.db2.gz QYROVNVDXFGKJO-UHFFFAOYSA-N 0 0 424.276 3.801 40 5 HHBBRN CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(Br)cc1 ZINC000224741505 569286900 /nfs/dbraw/zinc/28/69/00/569286900.db2.gz JQBBHPFVUBVMAE-UHFFFAOYSA-N 0 0 405.657 3.836 40 5 HHBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225017028 569323455 /nfs/dbraw/zinc/32/34/55/569323455.db2.gz WPAQSTCOAVBEQS-ZWKOTPCHSA-N 0 0 411.502 3.778 40 5 HHBBRN O=C1c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1CCO ZINC000006222173 569329916 /nfs/dbraw/zinc/32/99/16/569329916.db2.gz FZMUXMGDXNHBLH-UHFFFAOYSA-N 0 0 411.801 3.733 40 5 HHBBRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCSCc2c(F)cccc2Cl)cc1 ZINC000006452985 569332503 /nfs/dbraw/zinc/33/25/03/569332503.db2.gz IXZRAQOSZIVCRJ-UHFFFAOYSA-N 0 0 404.872 3.599 40 5 HHBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O ZINC000006597498 569333747 /nfs/dbraw/zinc/33/37/47/569333747.db2.gz MAIHOFYDRKLVJB-UHFFFAOYSA-N 0 0 402.362 3.752 40 5 HHBBRN Cc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000008412618 569340359 /nfs/dbraw/zinc/34/03/59/569340359.db2.gz PLMCYYQOVQRLPE-UHFFFAOYSA-N 0 0 413.430 3.502 40 5 HHBBRN O=C(CSc1nnc(Cc2ccccc2)[nH]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000010475604 569344423 /nfs/dbraw/zinc/34/44/23/569344423.db2.gz MWZHXYNKVFZPIA-UHFFFAOYSA-N 0 0 403.851 3.688 40 5 HHBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225165566 569369735 /nfs/dbraw/zinc/36/97/35/569369735.db2.gz DQHJUELYAAYGLZ-HXUWFJFHSA-N 0 0 411.502 3.779 40 5 HHBBRN O=C(Oc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000027563656 569373322 /nfs/dbraw/zinc/37/33/22/569373322.db2.gz GNWGFJDJLFDLCY-UHFFFAOYSA-N 0 0 416.389 3.653 40 5 HHBBRN CCOc1ccc(C(=O)Nc2nc3c(cc([N+](=O)[O-])cc3OC)s2)cc1[N+](=O)[O-] ZINC000010010568 569394869 /nfs/dbraw/zinc/39/48/69/569394869.db2.gz VHCGRQFMMJBWEA-UHFFFAOYSA-N 0 0 418.387 3.772 40 5 HHBBRN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1 ZINC000010543786 569396560 /nfs/dbraw/zinc/39/65/60/569396560.db2.gz PHAYVMSUFAUVQF-UHFFFAOYSA-N 0 0 416.430 3.791 40 5 HHBBRN O=[N+]([O-])c1ccc(CNc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)cc1 ZINC000328959305 569422766 /nfs/dbraw/zinc/42/27/66/569422766.db2.gz ASTJPVJKQTZZBK-UHFFFAOYSA-N 0 0 404.474 3.647 40 5 HHBBRN O=[N+]([O-])c1ccccc1CNc1cc(-c2ccncc2)nc(NC2CCCCC2)n1 ZINC000328993738 569423233 /nfs/dbraw/zinc/42/32/33/569423233.db2.gz JARJSYPVTLKGNQ-UHFFFAOYSA-N 0 0 404.474 3.647 40 5 HHBBRN Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)o1 ZINC000019625014 569425965 /nfs/dbraw/zinc/42/59/65/569425965.db2.gz VMYFXAZFSDAFSE-QFIPXVFZSA-N 0 0 406.394 3.504 40 5 HHBBRN COc1c([N+](=O)[O-])cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000008560910 571082100 /nfs/dbraw/zinc/08/21/00/571082100.db2.gz HAMHXKIBUMCAEI-UHFFFAOYSA-N 0 0 409.782 3.961 40 5 HHBBRN COc1ccccc1C(=O)NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000009059348 571309571 /nfs/dbraw/zinc/30/95/71/571309571.db2.gz HYKJEKIAZLOKAU-UHFFFAOYSA-N 0 0 414.468 3.854 40 5 HHBBRN O=c1c2c3nc4ccccc4nc3n(C[C@@H]3CCCO3)c2ncn1Cc1cccs1 ZINC000005030627 960641245 /nfs/dbraw/zinc/64/12/45/960641245.db2.gz NNKLBCAHMPXLRV-AWEZNQCLSA-N 0 0 417.494 3.583 40 5 HHBBRN Cn1c(=O)nc2n(-c3ccc(N4CCCCCC4)cc3)c3ccccc3cc-2c1=O ZINC000059497809 966024979 /nfs/dbraw/zinc/02/49/79/966024979.db2.gz ALANXTXWXVIOSI-UHFFFAOYSA-N 0 0 400.482 3.570 40 5 HHBBRN O=c1c2cc3c(ccn(Cc4ccccc4F)c3=O)nc2ccn1Cc1ccccc1 ZINC000040398771 527463451 /nfs/dbraw/zinc/46/34/51/527463451.db2.gz OYOZLPJNCWQQTR-UHFFFAOYSA-N 0 0 411.436 3.947 40 5 HHBBRN COc1ccc([C@H](CC(C)C)NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000219826778 558284352 /nfs/dbraw/zinc/28/43/52/558284352.db2.gz ASURGOSSXDNSPZ-SFHVURJKSA-N 0 0 402.447 3.894 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000220379388 559066033 /nfs/dbraw/zinc/06/60/33/559066033.db2.gz OMJSCOREYRFUHR-OAHLLOKOSA-N 0 0 419.503 3.820 40 5 HHBBRN CC(C)c1ccccc1NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220410657 559076907 /nfs/dbraw/zinc/07/69/07/559076907.db2.gz GOCNSJBZLGVPOR-CQSZACIVSA-N 0 0 405.476 3.511 40 5 HHBBRN Cc1ccc(C)c(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 ZINC000014401620 559165597 /nfs/dbraw/zinc/16/55/97/559165597.db2.gz ZNOGMARJSLEWEM-UHFFFAOYSA-N 0 0 419.503 3.705 40 5 HHBBRN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(Br)cc1 ZINC000003514232 559187362 /nfs/dbraw/zinc/18/73/62/559187362.db2.gz HJESKULCVITBIK-UHFFFAOYSA-N 0 0 413.611 3.806 40 5 HHBBRN COc1ccc(OC)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)c1 ZINC000408565056 559218614 /nfs/dbraw/zinc/21/86/14/559218614.db2.gz BBSHKUXXIMFBLL-SFHVURJKSA-N 0 0 400.460 3.703 40 5 HHBBRN COC(=O)c1c2c(sc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000408573364 559219302 /nfs/dbraw/zinc/21/93/02/559219302.db2.gz CUJIQLCBFNZUTO-UHFFFAOYSA-N 0 0 406.485 3.804 40 5 HHBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OC ZINC000408606638 559221220 /nfs/dbraw/zinc/22/12/20/559221220.db2.gz JJTZASOELJXOIA-UHFFFAOYSA-N 0 0 414.199 3.829 40 5 HHBBRN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000408625664 559222045 /nfs/dbraw/zinc/22/20/45/559222045.db2.gz FDBOSOPXKQKLIC-UHFFFAOYSA-N 0 0 403.460 3.909 40 5 HHBBRN Cc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408638074 559222669 /nfs/dbraw/zinc/22/26/69/559222669.db2.gz BARCKOTZMAXBGC-GFCCVEGCSA-N 0 0 418.247 3.657 40 5 HHBBRN COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 ZINC000408641667 559222993 /nfs/dbraw/zinc/22/29/93/559222993.db2.gz KYGDRLYDUVDWAL-JTQLQIEISA-N 0 0 424.240 3.902 40 5 HHBBRN COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c1 ZINC000408646655 559223156 /nfs/dbraw/zinc/22/31/56/559223156.db2.gz UAECAMVKVZMSRH-GFCCVEGCSA-N 0 0 403.822 3.557 40 5 HHBBRN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000408917799 559230908 /nfs/dbraw/zinc/23/09/08/559230908.db2.gz BFSYIJBPRAYIAC-CXUHLZMHSA-N 0 0 415.383 3.748 40 5 HHBBRN Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000409169929 559243296 /nfs/dbraw/zinc/24/32/96/559243296.db2.gz RHKPDIXJECXTSP-UHFFFAOYSA-N 0 0 414.443 3.904 40 5 HHBBRN Cc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)C2([N+](=O)[O-])c4ccccc4C3c3ccccc32)c1 ZINC000005548122 560607202 /nfs/dbraw/zinc/60/72/02/560607202.db2.gz AONQYTHLUJEJMC-ZKKFKWFVSA-N 0 0 410.429 3.780 40 5 HHBBRN O=[N+]([O-])c1cccc(CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 ZINC000004903270 560617491 /nfs/dbraw/zinc/61/74/91/560617491.db2.gz HMTXOHPQOFKVSL-UHFFFAOYSA-N 0 0 413.411 3.899 40 5 HHBBRN S=C(Nc1cc2cccnc2c2cccnc12)N1CCN(c2ccccn2)CC1 ZINC000408975894 560660433 /nfs/dbraw/zinc/66/04/33/560660433.db2.gz OVGVXZFDYVFJHN-UHFFFAOYSA-N 0 0 400.511 3.697 40 5 HHBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O)Nc1cccc(Cl)c1 ZINC000409151066 560684028 /nfs/dbraw/zinc/68/40/28/560684028.db2.gz GDMPTRAXHDEDSU-OVCLIPMQSA-N 0 0 417.830 3.923 40 5 HHBBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000102724813 560821252 /nfs/dbraw/zinc/82/12/52/560821252.db2.gz LGWZTUBTNDZURN-HBMCJLEFSA-N 0 0 415.405 3.646 40 5 HHBBRN COc1ccc(C=C2SC(=O)NC2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000106692777 560893097 /nfs/dbraw/zinc/89/30/97/560893097.db2.gz MWMFMSAHRVOYJJ-CHHVJCJISA-N 0 0 417.355 3.628 40 5 HHBBRN CC(C)OC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000106754513 560893700 /nfs/dbraw/zinc/89/37/00/560893700.db2.gz YRKIWBJOJSHSRB-SXGWCWSVSA-N 0 0 416.411 3.843 40 5 HHBBRN Nc1nc(N2CCCCC2)nc2nc3c(c(-c4ccc([N+](=O)[O-])cc4)c12)C(=O)CCC3 ZINC000020673565 568639502 /nfs/dbraw/zinc/63/95/02/568639502.db2.gz SMLZHFZHAYRJOR-UHFFFAOYSA-N 0 0 418.457 3.692 40 5 HHBBRN CCc1ccc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000222373359 568752543 /nfs/dbraw/zinc/75/25/43/568752543.db2.gz IYRAXNYVIHSOFU-UHFFFAOYSA-N 0 0 419.503 3.651 40 5 HHBBRN Cc1cc(C)cc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000222570701 568764068 /nfs/dbraw/zinc/76/40/68/568764068.db2.gz MZTYELNSUJATBM-UHFFFAOYSA-N 0 0 419.503 3.705 40 5 HHBBRN CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000022257279 568765635 /nfs/dbraw/zinc/76/56/35/568765635.db2.gz MWMAPFTYJOMNTH-UHFFFAOYSA-N 0 0 410.430 3.689 40 5 HHBBRN CCc1nnc2sc(-c3cccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c3)nn12 ZINC000057316964 568826687 /nfs/dbraw/zinc/82/66/87/568826687.db2.gz WDTSINGNRBQCNY-MDZDMXLPSA-N 0 0 420.454 3.975 40 5 HHBBRN O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000057317298 568826709 /nfs/dbraw/zinc/82/67/09/568826709.db2.gz PLWXEEGKTMLAHE-UHFFFAOYSA-N 0 0 417.746 3.767 40 5 HHBBRN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)c1C ZINC000059176140 568915130 /nfs/dbraw/zinc/91/51/30/568915130.db2.gz NISJAHWCIOOFFF-UHFFFAOYSA-N 0 0 414.443 3.904 40 5 HHBBRN CCc1ccc([C@@]2(O)C=C(C(F)(F)F)NN2C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000059488983 568956412 /nfs/dbraw/zinc/95/64/12/568956412.db2.gz LMZNDVKDOUYAPK-SFHVURJKSA-N 0 0 407.348 3.767 40 5 HHBBRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000026124260 569017167 /nfs/dbraw/zinc/01/71/67/569017167.db2.gz SKVFDYWFCSUVIL-UHFFFAOYSA-N 0 0 403.398 3.655 40 5 HHBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)o2)cc1 ZINC000223637458 569030699 /nfs/dbraw/zinc/03/06/99/569030699.db2.gz YCTMBRIICJTZCI-WOJBJXKFSA-N 0 0 424.482 3.605 40 5 HHBBRN O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006615739 569074233 /nfs/dbraw/zinc/07/42/33/569074233.db2.gz LZSVHTZGAMQFCF-UHFFFAOYSA-N 0 0 404.879 3.975 40 5 HHBBRN CCSC1=NN2[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)Nc3ccccc3[C@@H]2C(=O)N1 ZINC000588229068 569246229 /nfs/dbraw/zinc/24/62/29/569246229.db2.gz BPADGLUYUSWQFD-HZPDHXFCSA-N 0 0 417.878 3.870 40 5 HHBBRN CCC(=O)n1c(CC)nc2c1SC(c1cccc([N+](=O)[O-])c1)=NN2C(=O)CC ZINC000016777680 569262918 /nfs/dbraw/zinc/26/29/18/569262918.db2.gz DCIPDCXSMLOVDA-UHFFFAOYSA-N 0 0 401.448 3.614 40 5 HHBBRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2C)c(F)c1F ZINC000017090997 569273483 /nfs/dbraw/zinc/27/34/83/569273483.db2.gz LMXRSUNROOSSFH-UHFFFAOYSA-N 0 0 417.340 3.595 40 5 HHBBRN CCN(CC)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(C)c1 ZINC000017089171 569274357 /nfs/dbraw/zinc/27/43/57/569274357.db2.gz HXPMKFWKZQHYIW-UHFFFAOYSA-N 0 0 412.490 3.838 40 5 HHBBRN CCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000017090891 569274525 /nfs/dbraw/zinc/27/45/25/569274525.db2.gz DEXNSOUJDGWKTE-UHFFFAOYSA-N 0 0 416.865 3.559 40 5 HHBBRN CCN(c1ccc(Br)cc1F)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224757530 569287415 /nfs/dbraw/zinc/28/74/15/569287415.db2.gz CZFZLMYVMUOGTD-UHFFFAOYSA-N 0 0 403.229 3.712 40 5 HHBBRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224814969 569290539 /nfs/dbraw/zinc/29/05/39/569290539.db2.gz VSKGIBXWUPYASA-OAHLLOKOSA-N 0 0 417.893 3.734 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000007872234 569314949 /nfs/dbraw/zinc/31/49/49/569314949.db2.gz VHGUXVMQTUAPNJ-UHFFFAOYSA-N 0 0 417.487 3.639 40 5 HHBBRN COc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)c1 ZINC000006043626 569329316 /nfs/dbraw/zinc/32/93/16/569329316.db2.gz UZBPOPIUKRJCTM-UHFFFAOYSA-N 0 0 424.501 3.556 40 5 HHBBRN COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 ZINC000007928131 569338436 /nfs/dbraw/zinc/33/84/36/569338436.db2.gz NDAPWKGVDWTPCY-GFCCVEGCSA-N 0 0 403.822 3.557 40 5 HHBBRN Cc1cccc(C)c1NC(=O)COC(=O)CCCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000008417232 569340681 /nfs/dbraw/zinc/34/06/81/569340681.db2.gz AVYCKTQTBXVSDT-UHFFFAOYSA-N 0 0 413.430 3.502 40 5 HHBBRN Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1C ZINC000008417292 569340742 /nfs/dbraw/zinc/34/07/42/569340742.db2.gz DCONQMLHDIVXSP-UHFFFAOYSA-N 0 0 413.430 3.502 40 5 HHBBRN Cc1cc(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)cc(C)c1Br ZINC000008433620 569340904 /nfs/dbraw/zinc/34/09/04/569340904.db2.gz OXBVPQISDYUQQR-UHFFFAOYSA-N 0 0 407.220 3.770 40 5 HHBBRN O=C(CNC(=O)c1cccs1)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000010041258 569342686 /nfs/dbraw/zinc/34/26/86/569342686.db2.gz UOCZUBHKTVTHFU-FQEVSTJZSA-N 0 0 424.434 3.554 40 5 HHBBRN Cc1ccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C ZINC000010371791 569344339 /nfs/dbraw/zinc/34/43/39/569344339.db2.gz AZJULILIVUCFBY-UHFFFAOYSA-N 0 0 419.503 3.705 40 5 HHBBRN Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000010475576 569344422 /nfs/dbraw/zinc/34/44/22/569344422.db2.gz YUBYOWBMJHQGBD-UHFFFAOYSA-N 0 0 400.416 3.596 40 5 HHBBRN COc1cc(/C=C(/C)[N+](=O)[O-])ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000033729875 569351155 /nfs/dbraw/zinc/35/11/55/569351155.db2.gz QMGKQYJCJZFAQP-WQLSENKSSA-N 0 0 403.387 3.578 40 5 HHBBRN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)ccc1[N+](=O)[O-] ZINC000009903470 569394361 /nfs/dbraw/zinc/39/43/61/569394361.db2.gz VXDGTPCKJURDGN-UHFFFAOYSA-N 0 0 411.439 3.956 40 5 HHBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225460995 569398951 /nfs/dbraw/zinc/39/89/51/569398951.db2.gz LIQXFFGTSUMQTF-FXAWDEMLSA-N 0 0 411.502 3.859 40 5 HHBBRN Cc1c(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccco3)c2)cccc1[N+](=O)[O-] ZINC000032115766 525600816 /nfs/dbraw/zinc/60/08/16/525600816.db2.gz YWNKTNQORCQUAY-UHFFFAOYSA-N 0 0 424.438 3.875 40 5 HHBBRN COc1cc(C(=S)N2CCOCC2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000035224833 557619175 /nfs/dbraw/zinc/61/91/75/557619175.db2.gz BCLYSJPSTIPZIN-UHFFFAOYSA-N 0 0 422.890 3.844 40 5 HHBBRN Cc1ccc(C)n1N(CC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408684809 557698658 /nfs/dbraw/zinc/69/86/58/557698658.db2.gz ODQXZWTYQAATKC-UHFFFAOYSA-N 0 0 422.397 3.583 40 5 HHBBRN CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220543704 559173445 /nfs/dbraw/zinc/17/34/45/559173445.db2.gz PSJHHKPRCMKZEW-KRWDZBQOSA-N 0 0 419.503 3.703 40 5 HHBBRN O=C(NCc1cccnc1)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000408562678 559218306 /nfs/dbraw/zinc/21/83/06/559218306.db2.gz FGHXARHDOQDGHV-UHFFFAOYSA-N 0 0 410.817 3.826 40 5 HHBBRN COc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1OC ZINC000408570321 559218404 /nfs/dbraw/zinc/21/84/04/559218404.db2.gz KWXIUXHSDBUMPA-SFHVURJKSA-N 0 0 400.460 3.703 40 5 HHBBRN COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 ZINC000408641668 559222990 /nfs/dbraw/zinc/22/29/90/559222990.db2.gz KYGDRLYDUVDWAL-SNVBAGLBSA-N 0 0 424.240 3.902 40 5 HHBBRN CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4cc([N+](=O)[O-])ccc4F)c3)C(=O)[C@H]2C1 ZINC000408681384 559224653 /nfs/dbraw/zinc/22/46/53/559224653.db2.gz JDOSQFMECMKSPJ-IRXDYDNUSA-N 0 0 423.400 3.832 40 5 HHBBRN COc1ccc(/C=C2/SC(=O)N(CNc3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000408726217 559225488 /nfs/dbraw/zinc/22/54/88/559225488.db2.gz KAMKGVJTHKZBBK-RQZCQDPDSA-N 0 0 415.427 3.718 40 5 HHBBRN COC(=O)CC[C@@]1([N+](=O)[O-])CCCN(C(=O)OC(C)(C)C)[C@H]1c1ccc(F)cc1 ZINC000072390490 559275340 /nfs/dbraw/zinc/27/53/40/559275340.db2.gz FNRBYCFAKIUMOT-PXNSSMCTSA-N 0 0 410.442 3.866 40 5 HHBBRN Cc1cc(C)c2nc3sc4c(ncnc4SCC(=O)N4CCOCC4)c3cc2c1 ZINC000001327802 560573608 /nfs/dbraw/zinc/57/36/08/560573608.db2.gz BLFPBDXUHHDOJI-UHFFFAOYSA-N 0 0 424.551 3.960 40 5 HHBBRN COc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000005518907 560602504 /nfs/dbraw/zinc/60/25/04/560602504.db2.gz QPAULWLBZNRHRU-LBPRGKRZSA-N 0 0 413.459 3.816 40 5 HHBBRN Cc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000005549161 560607272 /nfs/dbraw/zinc/60/72/72/560607272.db2.gz ZCOPGHPDWGMNPY-ZKKFKWFVSA-N 0 0 410.429 3.780 40 5 HHBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1F)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000004892857 560615438 /nfs/dbraw/zinc/61/54/38/560615438.db2.gz NXWCZTAGNCMYJY-YQORSWRPSA-N 0 0 414.392 3.611 40 5 HHBBRN CN1C(=O)N/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C1=O ZINC000409190152 560689187 /nfs/dbraw/zinc/68/91/87/560689187.db2.gz LOFDRHSSLXEKQF-XDHOZWIPSA-N 0 0 403.394 3.850 40 5 HHBBRN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409356579 560715508 /nfs/dbraw/zinc/71/55/08/560715508.db2.gz HTIZRTLAPFJPOZ-DHDCSXOGSA-N 0 0 401.400 3.847 40 5 HHBBRN CCOc1ccccc1C=C1SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409357281 560715607 /nfs/dbraw/zinc/71/56/07/560715607.db2.gz IFRFYCOPSCUIMU-WOJGMQOQSA-N 0 0 412.423 3.913 40 5 HHBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000101127651 560788127 /nfs/dbraw/zinc/78/81/27/560788127.db2.gz KLSOIPVTUNNHBD-ACRUOGEOSA-N 0 0 415.405 3.646 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000045354849 568419226 /nfs/dbraw/zinc/41/92/26/568419226.db2.gz NQSFOSUYVZUFEG-GFCCVEGCSA-N 0 0 407.348 3.914 40 5 HHBBRN CCCOc1ccccc1CCCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000219827151 568498839 /nfs/dbraw/zinc/49/88/39/568498839.db2.gz VMKJGGJKEQWGAY-UHFFFAOYSA-N 0 0 402.447 3.520 40 5 HHBBRN CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000224884499 568602165 /nfs/dbraw/zinc/60/21/65/568602165.db2.gz GFPNIQFSZZUVTJ-UHFFFAOYSA-N 0 0 415.265 3.581 40 5 HHBBRN COc1cc(OC)c([N+](=O)[O-])cc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222565802 568763701 /nfs/dbraw/zinc/76/37/01/568763701.db2.gz BBEXCTUEDSFGBB-UZCIPKQKSA-N 0 0 400.460 3.596 40 5 HHBBRN CCCN(Cc1nc(-c2cccs2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000022257545 568765908 /nfs/dbraw/zinc/76/59/08/568765908.db2.gz SEKMCVSHZHHRHM-UHFFFAOYSA-N 0 0 416.459 3.832 40 5 HHBBRN COC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccc(OC)c(Br)c3)oc21 ZINC000226236985 568800551 /nfs/dbraw/zinc/80/05/51/568800551.db2.gz PSIDNWILXPPXKK-UHFFFAOYSA-N 0 0 407.176 3.961 40 5 HHBBRN Cc1nn(Cc2ccccc2C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c(C)c1[N+](=O)[O-] ZINC000002794432 568809369 /nfs/dbraw/zinc/80/93/69/568809369.db2.gz FJIGWXKYJVQWTP-ZDUSSCGKSA-N 0 0 422.441 3.676 40 5 HHBBRN C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223097348 568913905 /nfs/dbraw/zinc/91/39/05/568913905.db2.gz KVYJKGXRYCXWKJ-KRWDZBQOSA-N 0 0 411.502 3.512 40 5 HHBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223090451 568913916 /nfs/dbraw/zinc/91/39/16/568913916.db2.gz GJHYEBNTJXVFOK-HZPDHXFCSA-N 0 0 415.465 3.608 40 5 HHBBRN CCOc1ccc(CNC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000218048469 568924607 /nfs/dbraw/zinc/92/46/07/568924607.db2.gz ODPRVXVDNSWXQD-UHFFFAOYSA-N 0 0 404.488 3.942 40 5 HHBBRN CCc1ccc([C@]2(O)C=C(C(F)(F)F)NN2C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000059488982 568956393 /nfs/dbraw/zinc/95/63/93/568956393.db2.gz LMZNDVKDOUYAPK-GOSISDBHSA-N 0 0 407.348 3.767 40 5 HHBBRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000006139221 569014137 /nfs/dbraw/zinc/01/41/37/569014137.db2.gz HBWYDDYNIRXFGV-UHFFFAOYSA-N 0 0 411.867 3.531 40 5 HHBBRN CSc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1NC(C)=O ZINC000223948889 569032766 /nfs/dbraw/zinc/03/27/66/569032766.db2.gz OAEYMKVFGBEBER-UHFFFAOYSA-N 0 0 415.880 3.729 40 5 HHBBRN O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)Nc1ccc(F)cc1 ZINC000016428461 569050204 /nfs/dbraw/zinc/05/02/04/569050204.db2.gz QBLOJNJGUNXXRK-UHFFFAOYSA-N 0 0 422.419 3.667 40 5 HHBBRN Nc1ccc(Cl)cc1[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000016477592 569053822 /nfs/dbraw/zinc/05/38/22/569053822.db2.gz AQHVVLBJOOGISY-IBGZPJMESA-N 0 0 417.874 3.898 40 5 HHBBRN CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224271113 569056767 /nfs/dbraw/zinc/05/67/67/569056767.db2.gz AGLRRSFFLOTLMX-SFHVURJKSA-N 0 0 417.893 3.734 40 5 HHBBRN CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 ZINC000035808517 569060350 /nfs/dbraw/zinc/06/03/50/569060350.db2.gz LTSSNJKYSUGPMN-LERMDLETSA-N 0 0 417.421 3.564 40 5 HHBBRN COc1ccc2c3nccc4c5cc(O[C@H](C)C(C)=O)ccc5n(c43)c(=O)c2c1OC ZINC000006624327 569061114 /nfs/dbraw/zinc/06/11/14/569061114.db2.gz KQAVSUFRDQYKFC-CYBMUJFWSA-N 0 0 416.433 3.965 40 5 biogenic HHBBRN CC(C)=C1[C@@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@@H]21 ZINC000169682300 569132678 /nfs/dbraw/zinc/13/26/78/569132678.db2.gz JGFKJRJPMAOZLQ-OJXGSEEGSA-N 0 0 403.232 3.615 40 5 HHBBRN CCOc1cccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1 ZINC000017082390 569273056 /nfs/dbraw/zinc/27/30/56/569273056.db2.gz VOBIXWHCMAWZNF-UHFFFAOYSA-N 0 0 402.457 3.730 40 5 HHBBRN Cc1cc(C)c(O)c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000017089882 569274156 /nfs/dbraw/zinc/27/41/56/569274156.db2.gz MQOULRYNIULPIM-UHFFFAOYSA-N 0 0 414.487 3.644 40 5 HHBBRN CCc1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000017089897 569274500 /nfs/dbraw/zinc/27/45/00/569274500.db2.gz VYQNEIXWZMLMBZ-UHFFFAOYSA-N 0 0 414.487 3.590 40 5 HHBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225017106 569323539 /nfs/dbraw/zinc/32/35/39/569323539.db2.gz WPAQSTCOAVBEQS-ROUUACIJSA-N 0 0 411.502 3.778 40 5 HHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccc(C)cc2)no1 ZINC000007342121 569336931 /nfs/dbraw/zinc/33/69/31/569336931.db2.gz MVPQZPVLLPONMP-UHFFFAOYSA-N 0 0 400.416 3.693 40 5 HHBBRN CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4cccc([N+](=O)[O-])c4)c3)C(=O)[C@H]2C1 ZINC000008472361 569341226 /nfs/dbraw/zinc/34/12/26/569341226.db2.gz YYHXWNMYBYUAHQ-MOPGFXCFSA-N 0 0 405.410 3.693 40 5 HHBBRN COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)n2c(C)ccc2C)c1 ZINC000008475578 569341302 /nfs/dbraw/zinc/34/13/02/569341302.db2.gz MIEMYLZXAINQPL-UHFFFAOYSA-N 0 0 407.426 3.683 40 5 HHBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225170145 569369428 /nfs/dbraw/zinc/36/94/28/569369428.db2.gz BSIBLAMPGCCACY-MRXNPFEDSA-N 0 0 415.465 3.610 40 5 HHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000019160751 569414286 /nfs/dbraw/zinc/41/42/86/569414286.db2.gz DNSMZWGOLFLNHV-UHFFFAOYSA-N 0 0 417.487 3.639 40 5 HHBBRN COc1ccc(Nc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)c([N+](=O)[O-])c1 ZINC000328992479 569423292 /nfs/dbraw/zinc/42/32/92/569423292.db2.gz IVLOCOAIFBITGC-UHFFFAOYSA-N 0 0 420.473 3.787 40 5 HHBBRN