smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCCc1cccs1 ZINC000007981855 845458626 /nfs/dbraw/zinc/45/86/26/845458626.db2.gz QYDWVQCUZDBCAK-UHFFFAOYSA-N -1 1 403.485 4.112 20 5 HIBDMM CCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)s1 ZINC000030560331 847736357 /nfs/dbraw/zinc/73/63/57/847736357.db2.gz AQUCEKVPQWKJQT-UHFFFAOYSA-N -1 1 400.416 4.062 20 5 HIBDMM CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3C)n2)cc(Br)c1[O-] ZINC000436766955 861956479 /nfs/dbraw/zinc/95/64/79/861956479.db2.gz FDFYRJQLTGZOPI-UHFFFAOYSA-N -1 1 420.219 4.487 20 5 HIBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(SCc3cccs3)s2)c1 ZINC000063097443 851615574 /nfs/dbraw/zinc/61/55/74/851615574.db2.gz JWQINTGDZFQTOV-UHFFFAOYSA-N -1 1 408.486 4.061 20 5 HIBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1CCc2sccc2C1 ZINC000301098864 854296165 /nfs/dbraw/zinc/29/61/65/854296165.db2.gz XDRBANMFHJHCRL-UHFFFAOYSA-N -1 1 415.496 4.020 20 5 HIBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000425972562 856024959 /nfs/dbraw/zinc/02/49/59/856024959.db2.gz ZBGBWUDWBYNWSN-UHFFFAOYSA-N -1 1 417.487 4.223 20 5 HIBDMM COc1ccc(-c2ccc(CN[C@H](Cc3cc(C)cc(C)c3)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000426771166 856468974 /nfs/dbraw/zinc/46/89/74/856468974.db2.gz ZHOGCHYSGZBDHY-HXUWFJFHSA-N -1 1 424.453 4.266 20 5 HIBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(C)(C)C)sc3c2)cc1[N+](=O)[O-] ZINC000438767753 864262636 /nfs/dbraw/zinc/26/26/36/864262636.db2.gz ALPRCMWJGPGRRA-UHFFFAOYSA-N -1 1 421.500 4.311 20 5 HIBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)cc1C ZINC000442842766 867695218 /nfs/dbraw/zinc/69/52/18/867695218.db2.gz IPACTPXKLNUJPN-UHFFFAOYSA-N -1 1 421.219 4.053 20 5 HIBDMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])c(C)cc3C)c2)n1 ZINC000443397980 867957145 /nfs/dbraw/zinc/95/71/45/867957145.db2.gz HQBOJGUZXVKAEC-UHFFFAOYSA-N -1 1 403.485 4.444 20 5 HIBDMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000444379385 868801137 /nfs/dbraw/zinc/80/11/37/868801137.db2.gz LVUYTZPUKMYBBG-UHFFFAOYSA-N -1 1 422.441 4.097 20 5 HIBDMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000444390452 868804926 /nfs/dbraw/zinc/80/49/26/868804926.db2.gz GCUUZWFZFRHRPI-UHFFFAOYSA-N -1 1 422.441 4.097 20 5 HIBDMM COc1cc(-c2noc(/C=C\c3ccccc3[N+](=O)[O-])n2)cc(Br)c1[O-] ZINC000445395230 869480214 /nfs/dbraw/zinc/48/02/14/869480214.db2.gz WCXNCNBMBRKUCO-SREVYHEPSA-N -1 1 418.203 4.292 20 5 HIBDMM COc1cc(-c2noc(/C=C\c3ccc([N+](=O)[O-])cc3)n2)cc(Br)c1[O-] ZINC000445397661 869482765 /nfs/dbraw/zinc/48/27/65/869482765.db2.gz KRWZIWYRCREVEH-DAXSKMNVSA-N -1 1 418.203 4.292 20 5 HIBDMM Cc1nn(Cc2ccc(-c3nc(-c4ccc([O-])cc4F)no3)cc2)c(C)c1[N+](=O)[O-] ZINC000445457090 869534742 /nfs/dbraw/zinc/53/47/42/869534742.db2.gz LOIQKBDBXJNVNH-UHFFFAOYSA-N -1 1 409.377 4.018 20 5 HIBDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445477257 869550579 /nfs/dbraw/zinc/55/05/79/869550579.db2.gz BPCONDKBVODJJN-UHFFFAOYSA-N -1 1 412.299 4.163 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c(C(F)(F)F)c1 ZINC000447002514 870885767 /nfs/dbraw/zinc/88/57/67/870885767.db2.gz AXCDYDCHORXCIM-UHFFFAOYSA-N -1 1 416.711 4.346 20 5 HIBDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)c2ccccc12 ZINC000463431906 876487818 /nfs/dbraw/zinc/48/78/18/876487818.db2.gz RPHFSGVDAULCKD-UHFFFAOYSA-N -1 1 413.455 4.124 20 5 HIBDMM Cc1csc(Oc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2F)n1 ZINC000470264789 884615153 /nfs/dbraw/zinc/61/51/53/884615153.db2.gz WPHAEYNFPVDQFS-UHFFFAOYSA-N -1 1 423.447 4.400 20 5 HIBDMM O=[N+]([O-])c1cccc(-c2noc(-c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)n2)c1 ZINC000505035081 913777612 /nfs/dbraw/zinc/77/76/12/913777612.db2.gz IEWQSDBYAYSQEV-UHFFFAOYSA-N -1 1 422.422 4.113 20 5 HIBDMM Cc1nc2cc(Cl)c([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)cc2s1 ZINC000479284618 894563211 /nfs/dbraw/zinc/56/32/11/894563211.db2.gz PKKNSKKEVGNQOU-UHFFFAOYSA-N -1 1 403.894 4.337 20 5 HIBDMM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccc(C)s3)ns2)cc1SC ZINC000484424318 899938334 /nfs/dbraw/zinc/93/83/34/899938334.db2.gz KHYJQMSHLXWBGH-UHFFFAOYSA-N -1 1 422.513 4.466 20 5 HIBDMM Cc1c([N-]S(=O)(=O)C[C@H](C)c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000485393945 900690733 /nfs/dbraw/zinc/69/07/33/900690733.db2.gz DTCYQTJQYNYUJT-NSHDSACASA-N -1 1 413.293 4.211 20 5 HIBDMM O=C([N-]c1nc(Sc2ccccc2)ns1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000489344990 903339778 /nfs/dbraw/zinc/33/97/78/903339778.db2.gz LYSSHEAFDZDWQW-UHFFFAOYSA-N -1 1 424.410 4.451 20 5 HIBDMM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000490365496 903957201 /nfs/dbraw/zinc/95/72/01/903957201.db2.gz KKPRJNMFDANBNY-XQRVVYSFSA-N -1 1 421.232 4.225 20 5 HIBDMM Cc1cc(Br)c([O-])c(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000490663600 904162457 /nfs/dbraw/zinc/16/24/57/904162457.db2.gz SIDSTKIYZZPBFV-UHFFFAOYSA-N -1 1 417.162 4.225 20 5 HIBDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)c2)oc1C ZINC000491757392 904692861 /nfs/dbraw/zinc/69/28/61/904692861.db2.gz CWCWJXTWNIWVLD-UHFFFAOYSA-N -1 1 401.444 4.284 20 5 HIBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3noc(C(F)F)n3)cc2)cc1[N+](=O)[O-] ZINC000491841078 904708785 /nfs/dbraw/zinc/70/87/85/904708785.db2.gz BFEWUNCFMAZGJG-UHFFFAOYSA-N -1 1 424.385 4.000 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2cccs2)c2ccc(Cl)cc2)s1 ZINC000512767663 921304165 /nfs/dbraw/zinc/30/41/65/921304165.db2.gz UQGVAGYUGZPBPJ-HNNXBMFYSA-N -1 1 414.917 4.439 20 5 HIBDMM O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)c1 ZINC000515632291 923231948 /nfs/dbraw/zinc/23/19/48/923231948.db2.gz UMYFRMORWKDALY-UHFFFAOYSA-N -1 1 412.402 4.078 20 5 HIBDMM O=C(Nc1ccccc1F)Nc1cccc2c1CCCN2C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000521158180 929032121 /nfs/dbraw/zinc/03/21/21/929032121.db2.gz GXIBILSGFWFOET-UHFFFAOYSA-N -1 1 423.404 4.299 20 5 HIBDMM Cc1cc(Cl)cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1[O-] ZINC000530874685 930845465 /nfs/dbraw/zinc/84/54/65/930845465.db2.gz SNMJENMTXLSJGZ-UHFFFAOYSA-N -1 1 404.728 4.456 20 5 HIBDMM CC(=O)c1cc(F)c([N-]C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c(F)c1 ZINC000537441505 933776606 /nfs/dbraw/zinc/77/66/06/933776606.db2.gz SNHXQPMHYFKKMJ-UHFFFAOYSA-N -1 1 403.366 4.451 20 5 HIBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(SCc2cccnc2)cc1 ZINC000539949924 938980605 /nfs/dbraw/zinc/98/06/05/938980605.db2.gz FTFRAYZBCUDYIL-UHFFFAOYSA-N -1 1 415.496 4.391 20 5 HIBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(SCc3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000539951405 938980776 /nfs/dbraw/zinc/98/07/76/938980776.db2.gz OTYGAJSGKMBZIQ-UHFFFAOYSA-N -1 1 415.496 4.391 20 5 HIBDMM O=[N+]([O-])c1ccc(-c2noc(-c3cccc([N-]S(=O)(=O)c4ccccc4)c3)n2)cc1 ZINC000546967068 940930555 /nfs/dbraw/zinc/93/05/55/940930555.db2.gz NLGHTWYMIULQMT-UHFFFAOYSA-N -1 1 422.422 4.113 20 5 HIBDMM Cc1sc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000046611907 848885848 /nfs/dbraw/zinc/88/58/48/848885848.db2.gz GPTASTHDZBVIST-UHFFFAOYSA-N -1 1 417.468 4.018 20 5 HIBDMM Cc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000053159204 849673862 /nfs/dbraw/zinc/67/38/62/849673862.db2.gz GRZRPSNCPNJPQD-UHFFFAOYSA-N -1 1 417.468 4.018 20 5 HIBDMM Cc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000058225384 850782989 /nfs/dbraw/zinc/78/29/89/850782989.db2.gz HKTGGBRZIYQQKZ-UHFFFAOYSA-N -1 1 417.468 4.018 20 5 HIBDMM CS[C@H]1CC[C@@H](Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000301415421 854388039 /nfs/dbraw/zinc/38/80/39/854388039.db2.gz APMPPBNCDOUDGT-CABCVRRESA-N -1 1 407.517 4.092 20 5 HIBDMM CS[C@@H]1CC[C@H](Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000301415428 854388316 /nfs/dbraw/zinc/38/83/16/854388316.db2.gz APMPPBNCDOUDGT-LSDHHAIUSA-N -1 1 407.517 4.092 20 5 HIBDMM O=[N+]([O-])c1cc(F)c(NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)c(F)c1 ZINC000301773039 854463205 /nfs/dbraw/zinc/46/32/05/854463205.db2.gz GGTFUZDNJRYVHV-UHFFFAOYSA-N -1 1 419.409 4.286 20 5 HIBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCc1ccc(Cl)cn1 ZINC000302038477 854519593 /nfs/dbraw/zinc/51/95/93/854519593.db2.gz VNCMUVUOMYROOW-UHFFFAOYSA-N -1 1 418.862 4.056 20 5 HIBDMM COc1ccc(-c2ccc(CN[C@@H](CC(=O)[O-])c3ccsc3)o2)c([N+](=O)[O-])c1 ZINC000426692479 856416573 /nfs/dbraw/zinc/41/65/73/856416573.db2.gz SCZUOZMIVIOTAB-INIZCTEOSA-N -1 1 402.428 4.231 20 5 HIBDMM CC(C)c1ccc(CN[C@@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000426727626 856438035 /nfs/dbraw/zinc/43/80/35/856438035.db2.gz PFPRFNQDBZQRSN-FQEVSTJZSA-N -1 1 408.458 4.210 20 5 HIBDMM COc1cccc(C(=O)[N-]c2c3ccccc3oc2C(=O)c2ccco2)c1[N+](=O)[O-] ZINC000435664255 860943907 /nfs/dbraw/zinc/94/39/07/860943907.db2.gz LVZNCKUUJYMQOZ-UHFFFAOYSA-N -1 1 406.350 4.426 20 5 HIBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCCCC(F)(F)F ZINC000439692287 865029700 /nfs/dbraw/zinc/02/97/00/865029700.db2.gz JPFPUNFXEFYGMY-UHFFFAOYSA-N -1 1 403.382 4.150 20 5 HIBDMM CCOc1cc([N-]C(=O)c2cnc([C@H](C)OCC)s2)c([N+](=O)[O-])cc1OCC ZINC000443846161 868375551 /nfs/dbraw/zinc/37/55/51/868375551.db2.gz WROLTOJGHNBXPZ-NSHDSACASA-N -1 1 409.464 4.199 20 5 HIBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000445141985 869239286 /nfs/dbraw/zinc/23/92/86/869239286.db2.gz WBJWIZATMXKVGY-CABCVRRESA-N -1 1 409.364 4.123 20 5 HIBDMM CCOc1cc(-c2noc(CCNc3ccccc3[N+](=O)[O-])n2)cc(Cl)c1[O-] ZINC000445409578 869493286 /nfs/dbraw/zinc/49/32/86/869493286.db2.gz AVFGQXSSHXMWPF-UHFFFAOYSA-N -1 1 404.810 4.057 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)c2ncccc12 ZINC000447274500 871163792 /nfs/dbraw/zinc/16/37/92/871163792.db2.gz NFKMANWWBYVMAE-UHFFFAOYSA-N -1 1 413.386 4.343 20 5 HIBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(CSC(C)C)c2C)cc1[N+](=O)[O-] ZINC000460822538 873706556 /nfs/dbraw/zinc/70/65/56/873706556.db2.gz FWZGBDBWTKXSAB-UHFFFAOYSA-N -1 1 410.517 4.354 20 5 HIBDMM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000461114297 874038405 /nfs/dbraw/zinc/03/84/05/874038405.db2.gz PSINSJMMMCDAKX-UHFFFAOYSA-N -1 1 405.657 4.120 20 5 HIBDMM COC(C)(C)C[C@@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000462893109 875919368 /nfs/dbraw/zinc/91/93/68/875919368.db2.gz KUUQSYXGSLBOFF-CQSZACIVSA-N -1 1 407.492 4.011 20 5 HIBDMM COC(C)(C)C[C@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000462893108 875919677 /nfs/dbraw/zinc/91/96/77/875919677.db2.gz KUUQSYXGSLBOFF-AWEZNQCLSA-N -1 1 407.492 4.011 20 5 HIBDMM CCOc1cc([N-]C(=O)c2ncoc2-c2ccc(F)cc2)c([N+](=O)[O-])cc1OCC ZINC000472526819 887398611 /nfs/dbraw/zinc/39/86/11/887398611.db2.gz ZNUCQNPXMRCUBP-UHFFFAOYSA-N -1 1 415.377 4.439 20 5 HIBDMM CCOC(=O)c1cc2cc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3C)ccc2s1 ZINC000475791528 890731484 /nfs/dbraw/zinc/73/14/84/890731484.db2.gz BYANZPYEJBIQLN-UHFFFAOYSA-N -1 1 420.468 4.095 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nc(-c3cc4ccccc4o3)cs2)s1 ZINC000476210399 891140194 /nfs/dbraw/zinc/14/01/94/891140194.db2.gz XAJVHOFBKLHWEC-UHFFFAOYSA-N -1 1 421.481 4.005 20 5 HIBDMM COc1ccc(C2([N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CCCC2)cc1 ZINC000476979567 891906945 /nfs/dbraw/zinc/90/69/45/891906945.db2.gz LTQYJGDKAQLPHJ-UHFFFAOYSA-N -1 1 410.879 4.005 20 5 HIBDMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000482563080 898155996 /nfs/dbraw/zinc/15/59/96/898155996.db2.gz ZODFBGYQSJREQR-UHFFFAOYSA-N -1 1 420.263 4.224 20 5 HIBDMM COc1c(C(=O)[N-]c2c3ccccc3oc2C(=O)c2ccco2)cccc1[N+](=O)[O-] ZINC000483100445 898792381 /nfs/dbraw/zinc/79/23/81/898792381.db2.gz GLAMNCQILASPOW-UHFFFAOYSA-N -1 1 406.350 4.426 20 5 HIBDMM O=C([N-]c1ncc(C(F)(F)F)s1)c1sc(Br)cc1[N+](=O)[O-] ZINC000485679944 900931330 /nfs/dbraw/zinc/93/13/30/900931330.db2.gz RLIZFNBDLKKVAM-UHFFFAOYSA-N -1 1 402.173 4.146 20 5 HIBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)cc1[N+](=O)[O-] ZINC000488257310 902730503 /nfs/dbraw/zinc/73/05/03/902730503.db2.gz BQXRXIFKMPKSGC-UHFFFAOYSA-N -1 1 422.356 4.038 20 5 HIBDMM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000489965244 903699651 /nfs/dbraw/zinc/69/96/51/903699651.db2.gz LZMYVIZJKWLLDY-XQRVVYSFSA-N -1 1 408.342 4.063 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccsc2)c2ccc(Cl)cc2)s1 ZINC000512779043 921309760 /nfs/dbraw/zinc/30/97/60/921309760.db2.gz MYUUHWWKSMCWMT-OAHLLOKOSA-N -1 1 414.917 4.439 20 5 HIBDMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000500522861 909904245 /nfs/dbraw/zinc/90/42/45/909904245.db2.gz DMKSACXDQAUKIY-NSHDSACASA-N -1 1 423.903 4.411 20 5 HIBDMM Cc1ccc(Cc2ccccn2)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000509377694 918044526 /nfs/dbraw/zinc/04/45/26/918044526.db2.gz HHOXIGXIXHWFFH-UHFFFAOYSA-N -1 1 411.483 4.307 20 5 HIBDMM C[C@@H](C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000562403361 945071413 /nfs/dbraw/zinc/07/14/13/945071413.db2.gz HHKNCJFGXUDKOO-CQSZACIVSA-N -1 1 411.458 4.105 20 5 HIBDMM C[C@H](CCc1ccco1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000008205283 845492028 /nfs/dbraw/zinc/49/20/28/845492028.db2.gz HCWAWURSHMEOHK-OAHLLOKOSA-N -1 1 415.471 4.422 20 5 HIBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCSc2ccc(Cl)cc21 ZINC000029965226 847660988 /nfs/dbraw/zinc/66/09/88/847660988.db2.gz URWMDWIFGXXITN-GFCCVEGCSA-N -1 1 419.311 4.417 20 5 HIBDMM Cc1sc(C(=O)[N-]c2nnc(SCc3ccc(F)cc3)s2)cc1[N+](=O)[O-] ZINC000032060599 847984209 /nfs/dbraw/zinc/98/42/09/847984209.db2.gz LAAGNGVHHARJIA-UHFFFAOYSA-N -1 1 410.477 4.500 20 5 HIBDMM O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436635592 861877608 /nfs/dbraw/zinc/87/76/08/861877608.db2.gz MGXKKOIWUPCCTL-UHFFFAOYSA-N -1 1 401.382 4.005 20 5 HIBDMM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000055622079 850081197 /nfs/dbraw/zinc/08/11/97/850081197.db2.gz DTPCVRRGVKJITQ-UHFFFAOYSA-N -1 1 418.258 4.051 20 5 HIBDMM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000064953305 852030143 /nfs/dbraw/zinc/03/01/43/852030143.db2.gz DSGQXMLNYVAWLS-UHFFFAOYSA-N -1 1 409.678 4.076 20 5 HIBDMM C[C@@H](CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])c1nccs1 ZINC000302135401 854535576 /nfs/dbraw/zinc/53/55/76/854535576.db2.gz MFENSPDWYPZSAY-ZDUSSCGKSA-N -1 1 418.500 4.068 20 5 HIBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Sc2ccncc2)cc1 ZINC000435135415 860658486 /nfs/dbraw/zinc/65/84/86/860658486.db2.gz PKHWYUCIFQXJGU-UHFFFAOYSA-N -1 1 401.469 4.250 20 5 HIBDMM C[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(C(F)(F)F)c1 ZINC000467787103 881609060 /nfs/dbraw/zinc/60/90/60/881609060.db2.gz WPTBTDXITKOXKP-SNVBAGLBSA-N -1 1 408.423 4.147 20 5 HIBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(Cl)c2)c1 ZINC000442314136 867322738 /nfs/dbraw/zinc/32/27/38/867322738.db2.gz GUKMEHIQJYHKJN-UHFFFAOYSA-N -1 1 419.846 4.023 20 5 HIBDMM CCOc1cc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc(Cl)c1[O-] ZINC000443192928 867869612 /nfs/dbraw/zinc/86/96/12/867869612.db2.gz LGPFYHMJLLVAKP-UHFFFAOYSA-N -1 1 414.805 4.475 20 5 HIBDMM CCOc1cc([N-]C(=O)c2cnc([C@@H](C)OCC)s2)c([N+](=O)[O-])cc1OCC ZINC000443846160 868376281 /nfs/dbraw/zinc/37/62/81/868376281.db2.gz WROLTOJGHNBXPZ-LLVKDONJSA-N -1 1 409.464 4.199 20 5 HIBDMM O=C([N-]c1c(F)cccc1N1CCCC1)c1sc(Br)cc1[N+](=O)[O-] ZINC000446086590 870033798 /nfs/dbraw/zinc/03/37/98/870033798.db2.gz ZWNNBKYTHNLXTA-UHFFFAOYSA-N -1 1 414.256 4.410 20 5 HIBDMM O=C([N-]c1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1cc(-c2cccnc2)on1 ZINC000446425928 870341604 /nfs/dbraw/zinc/34/16/04/870341604.db2.gz WLNJNPDBGNYLAO-UHFFFAOYSA-N -1 1 416.393 4.476 20 5 HIBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(S[C@H]3CCCOC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000503253822 912233783 /nfs/dbraw/zinc/23/37/83/912233783.db2.gz KHPIZCXVONDMCQ-HNNXBMFYSA-N -1 1 422.528 4.284 20 5 HIBDMM CC[C@H](C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000478233885 893395224 /nfs/dbraw/zinc/39/52/24/893395224.db2.gz ORCWHLQKHIGLED-ZDUSSCGKSA-N -1 1 405.476 4.079 20 5 HIBDMM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000479407257 894715126 /nfs/dbraw/zinc/71/51/26/894715126.db2.gz LJFMJEXKUUXGLS-UHFFFAOYSA-N -1 1 411.867 4.096 20 5 HIBDMM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(-c3ccccc3)s2)cc1SC ZINC000481954828 897344365 /nfs/dbraw/zinc/34/43/65/897344365.db2.gz YTOFRXYTMYFUJB-UHFFFAOYSA-N -1 1 402.457 4.096 20 5 HIBDMM CSc1cccc(C(=O)[N-]c2nnc(Cc3ccc(C)cc3)s2)c1[N+](=O)[O-] ZINC000486233577 901416368 /nfs/dbraw/zinc/41/63/68/901416368.db2.gz SFPUGBMTDRHGRG-UHFFFAOYSA-N -1 1 400.485 4.320 20 5 HIBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C[S@](=O)C(C)(C)C)c2)cc1[N+](=O)[O-] ZINC000491665444 904682440 /nfs/dbraw/zinc/68/24/40/904682440.db2.gz KYHZIMGDSQAUGJ-MHZLTWQESA-N -1 1 424.544 4.060 20 5 HIBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCO[C@H]1CCCc2ccccc21 ZINC000506225246 914851221 /nfs/dbraw/zinc/85/12/21/914851221.db2.gz IEVZKBLYSRGPMK-SFHVURJKSA-N -1 1 424.906 4.011 20 5 HIBDMM CCC[C@H](C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000499815494 908945225 /nfs/dbraw/zinc/94/52/25/908945225.db2.gz SWMPUBPDNMHGFP-AWEZNQCLSA-N -1 1 419.503 4.469 20 5 HIBDMM Cc1ccc(-c2cncc(F)c2)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000509377059 918042703 /nfs/dbraw/zinc/04/27/03/918042703.db2.gz FFYGBOCZLKOJMB-UHFFFAOYSA-N -1 1 401.419 4.214 20 5 HIBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(Cc3ccccn3)ccc2C)c1 ZINC000509377825 918044807 /nfs/dbraw/zinc/04/48/07/918044807.db2.gz YTRHWMXOQHHSTR-UHFFFAOYSA-N -1 1 411.483 4.307 20 5 HIBDMM Cc1ccc(-c2cncc(F)c2)cc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000509392183 918058212 /nfs/dbraw/zinc/05/82/12/918058212.db2.gz NYKRKEJJODGFRI-UHFFFAOYSA-N -1 1 401.419 4.214 20 5 HIBDMM O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000518320352 927184940 /nfs/dbraw/zinc/18/49/40/927184940.db2.gz PUIFUKNVKUETLP-LJQANCHMSA-N -1 1 404.426 4.153 20 5 HIBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(CC(C)(C)C)nc3c2)cc1[N+](=O)[O-] ZINC000521799993 929460183 /nfs/dbraw/zinc/46/01/83/929460183.db2.gz DCNGRRXENDQEDF-UHFFFAOYSA-N -1 1 403.460 4.434 20 5 HIBDMM COc1ccc(-c2nsc([N-]C(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])n2)cc1 ZINC000527123585 930597040 /nfs/dbraw/zinc/59/70/40/930597040.db2.gz IJBPLQNDGADPFY-UHFFFAOYSA-N -1 1 404.835 4.336 20 5 HIBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(SCc2cccnc2)cc1 ZINC000536132541 933679554 /nfs/dbraw/zinc/67/95/54/933679554.db2.gz WQLBRJWOHHYCMM-UHFFFAOYSA-N -1 1 415.496 4.391 20 5 HIBDMM CCOc1cc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc(Cl)c1[O-] ZINC000546563643 940854313 /nfs/dbraw/zinc/85/43/13/940854313.db2.gz HFZQSAPZBJOAMU-GOSISDBHSA-N -1 1 408.863 4.240 20 5 HIBDMM CCOc1ccc([N+](=O)[O-])cc1CN[C@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000551435352 941478496 /nfs/dbraw/zinc/47/84/96/941478496.db2.gz OTBFULPNUFHYAR-MRXNPFEDSA-N -1 1 412.364 4.318 20 5 HIBDMM COc1cc(C(=O)Nc2c([O-])cc(Br)cc2Cl)cc([N+](=O)[O-])c1C ZINC000552022419 941569848 /nfs/dbraw/zinc/56/98/48/941569848.db2.gz VIGCIJFNMHPMEY-UHFFFAOYSA-N -1 1 415.627 4.286 20 5 HIBDMM Cc1cc(Br)cc(Cl)c1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000436008307 861298887 /nfs/dbraw/zinc/29/88/87/861298887.db2.gz QHUSURHOGGUFLC-UHFFFAOYSA-N -1 1 405.657 4.120 20 5 HIBDMM COC(=O)c1ccc([O-])c(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1 ZINC000436504260 861828535 /nfs/dbraw/zinc/82/85/35/861828535.db2.gz MLKHVEXXUZTICS-UHFFFAOYSA-N -1 1 424.434 4.491 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)cc1 ZINC000060738727 851200925 /nfs/dbraw/zinc/20/09/25/851200925.db2.gz SMFATZXJKPDOGW-UHFFFAOYSA-N -1 1 412.402 4.078 20 5 HIBDMM C[C@H](CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])c1nccs1 ZINC000302135400 854535002 /nfs/dbraw/zinc/53/50/02/854535002.db2.gz MFENSPDWYPZSAY-CYBMUJFWSA-N -1 1 418.500 4.068 20 5 HIBDMM CSC1(CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CCC1 ZINC000302827424 854647314 /nfs/dbraw/zinc/64/73/14/854647314.db2.gz BJTABAZEYGGFJO-UHFFFAOYSA-N -1 1 407.517 4.093 20 5 HIBDMM C[C@H](Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000302900786 854671995 /nfs/dbraw/zinc/67/19/95/854671995.db2.gz SVGCOYFPRAJOHZ-AWEZNQCLSA-N -1 1 413.455 4.274 20 5 HIBDMM CCC(C)(C)OCc1cccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1C ZINC000425987490 856032511 /nfs/dbraw/zinc/03/25/11/856032511.db2.gz ZVVOTDFXEXKZTC-UHFFFAOYSA-N -1 1 422.503 4.418 20 5 HIBDMM CCOc1cc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc(Cl)c1[O-] ZINC000427602721 856883811 /nfs/dbraw/zinc/88/38/11/856883811.db2.gz RHEYMSQAHAOEHD-UHFFFAOYSA-N -1 1 418.755 4.301 20 5 HIBDMM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431339965 858571788 /nfs/dbraw/zinc/57/17/88/858571788.db2.gz BHXOXBYRHJGZRB-UHFFFAOYSA-N -1 1 422.626 4.048 20 5 HIBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc([C@H]2CCCc3ccccc32)s1 ZINC000432635011 859264682 /nfs/dbraw/zinc/26/46/82/859264682.db2.gz VJKZTBCUTOXMPF-HNNXBMFYSA-N -1 1 410.455 4.175 20 5 HIBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Sc3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000435138207 860660266 /nfs/dbraw/zinc/66/02/66/860660266.db2.gz QIAZUVLFUKSEEE-UHFFFAOYSA-N -1 1 401.469 4.250 20 5 HIBDMM COc1cccc(C(=O)[N-]c2nc(-c3ccc(SC)cc3)ns2)c1[N+](=O)[O-] ZINC000435804977 861072807 /nfs/dbraw/zinc/07/28/07/861072807.db2.gz AAQACWCVRNZKOE-UHFFFAOYSA-N -1 1 402.457 4.096 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c(C(F)(F)F)c1 ZINC000442247849 867287090 /nfs/dbraw/zinc/28/70/90/867287090.db2.gz GGXLYYQAZMSMBP-UHFFFAOYSA-N -1 1 416.711 4.346 20 5 HIBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000445141991 869239492 /nfs/dbraw/zinc/23/94/92/869239492.db2.gz WBJWIZATMXKVGY-HUUCEWRRSA-N -1 1 409.364 4.123 20 5 HIBDMM COC(=O)c1ccc(Cl)c([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000447132461 871034134 /nfs/dbraw/zinc/03/41/34/871034134.db2.gz KJWAVTFVPCDKHY-UHFFFAOYSA-N -1 1 419.640 4.111 20 5 HIBDMM COC(=O)c1c(C)c(C)sc1[N-]C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000447203826 871095317 /nfs/dbraw/zinc/09/53/17/871095317.db2.gz OINCKLWLTKAJDL-UHFFFAOYSA-N -1 1 419.278 4.136 20 5 HIBDMM CC(=O)c1cc(F)c([N-]C(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(F)c1F ZINC000461104880 874026069 /nfs/dbraw/zinc/02/60/69/874026069.db2.gz BHOSQDMRGIFCED-UHFFFAOYSA-N -1 1 417.137 4.230 20 5 HIBDMM CCO[C@@H](CCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])C(C)C ZINC000470864151 885354251 /nfs/dbraw/zinc/35/42/51/885354251.db2.gz ZPQRCVYCEZKIPS-FQEVSTJZSA-N -1 1 421.519 4.259 20 5 HIBDMM CCOc1cc([N-]C(=O)c2cnc(-c3ccco3)s2)c([N+](=O)[O-])cc1OCC ZINC000504360573 913193405 /nfs/dbraw/zinc/19/34/05/913193405.db2.gz XCBHHXLHZUNNNE-UHFFFAOYSA-N -1 1 403.416 4.361 20 5 HIBDMM O=[N+]([O-])c1ccccc1NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000474788748 889645195 /nfs/dbraw/zinc/64/51/95/889645195.db2.gz SUNGHZQGROTVHT-UHFFFAOYSA-N -1 1 401.419 4.147 20 5 HIBDMM CC[C@@H](C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000478233882 893395022 /nfs/dbraw/zinc/39/50/22/893395022.db2.gz ORCWHLQKHIGLED-CYBMUJFWSA-N -1 1 405.476 4.079 20 5 HIBDMM Cc1ccc([C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000480629511 895997191 /nfs/dbraw/zinc/99/71/91/895997191.db2.gz FATNJVCVCJSRMR-IBGZPJMESA-N -1 1 417.874 4.020 20 5 HIBDMM O=C(Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000505763228 914432900 /nfs/dbraw/zinc/43/29/00/914432900.db2.gz SRUGABFBCYFJBZ-UHFFFAOYSA-N -1 1 418.331 4.446 20 5 HIBDMM Cc1cc(Cc2cnc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)s2)ccc1Br ZINC000487509515 902227405 /nfs/dbraw/zinc/22/74/05/902227405.db2.gz NGGKGVIHKWVKKK-UHFFFAOYSA-N -1 1 421.276 4.293 20 5 HIBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(COC3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000488222803 902703775 /nfs/dbraw/zinc/70/37/75/902703775.db2.gz PPWHIGGQTZUIAY-UHFFFAOYSA-N -1 1 424.450 4.003 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2cccc(Cl)c2)s1 ZINC000512778158 921309867 /nfs/dbraw/zinc/30/98/67/921309867.db2.gz CTCLHOVUZQTGLD-KRWDZBQOSA-N -1 1 408.888 4.378 20 5 HIBDMM Cc1ccc(Cc2ccccn2)cc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000509396934 918063919 /nfs/dbraw/zinc/06/39/19/918063919.db2.gz ORSXLRPXYQDMBA-UHFFFAOYSA-N -1 1 411.483 4.307 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4cccc(F)c4)[nH]c3c2)cc1 ZINC000511740211 920413460 /nfs/dbraw/zinc/41/34/60/920413460.db2.gz UWGTZIPKHWJHEQ-UHFFFAOYSA-N -1 1 412.402 4.078 20 5 HIBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccco1 ZINC000514735919 922773957 /nfs/dbraw/zinc/77/39/57/922773957.db2.gz WLVHVOYTMCXCDT-UHFFFAOYSA-N -1 1 406.350 4.426 20 5 HIBDMM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(Cc3ccccc3F)s2)c1 ZINC000517443448 924192871 /nfs/dbraw/zinc/19/28/71/924192871.db2.gz XYQHKCBPICOXIX-UHFFFAOYSA-N -1 1 404.448 4.150 20 5 HIBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Oc2cccc(F)c2)ccc1[O-] ZINC000518086258 927013087 /nfs/dbraw/zinc/01/30/87/927013087.db2.gz ZSGQGNNSZIRKLT-UHFFFAOYSA-N -1 1 404.375 4.033 20 5 HIBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cnc4ccccc43)cc2)cc1[N+](=O)[O-] ZINC000524627500 929736434 /nfs/dbraw/zinc/73/64/34/929736434.db2.gz NGBFQFVACLDAAG-UHFFFAOYSA-N -1 1 422.466 4.102 20 5 HIBDMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cc(Cl)c(C)c2F)cc1OC ZINC000535642724 933283825 /nfs/dbraw/zinc/28/38/25/933283825.db2.gz VJEQNVPBAHGUON-UHFFFAOYSA-N -1 1 400.765 4.494 20 5 HIBDMM O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000541516321 939542055 /nfs/dbraw/zinc/54/20/55/939542055.db2.gz IGVMPUGMQZQFLM-UHFFFAOYSA-N -1 1 411.727 4.304 20 5 HIBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCC1(C(F)(F)F)CC1 ZINC000553616212 941921910 /nfs/dbraw/zinc/92/19/10/941921910.db2.gz ZUNOVTFCNGBAOU-UHFFFAOYSA-N -1 1 415.393 4.150 20 5 HIBDMM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000560801350 944336610 /nfs/dbraw/zinc/33/66/10/944336610.db2.gz RYEQASQPGBPKAH-UHFFFAOYSA-N -1 1 409.446 4.009 20 5 HIBDMM Cc1nc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])sc1C(F)(F)F ZINC000574475386 948452197 /nfs/dbraw/zinc/45/21/97/948452197.db2.gz FFWTXYHLVQTYAA-UHFFFAOYSA-N -1 1 416.200 4.455 20 5 HIBDMM COc1cccc(CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])c1 ZINC000007982756 845458306 /nfs/dbraw/zinc/45/83/06/845458306.db2.gz YCYGKBZYTHLAQV-UHFFFAOYSA-N -1 1 413.455 4.016 20 5 HIBDMM CCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)s1 ZINC000030561433 847736165 /nfs/dbraw/zinc/73/61/65/847736165.db2.gz YAOBGFPDERGBRA-UHFFFAOYSA-N -1 1 414.443 4.452 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2)c(Cl)c1 ZINC000056127885 850248369 /nfs/dbraw/zinc/24/83/69/850248369.db2.gz CZUXWAWVVWYQGX-ZDUSSCGKSA-N -1 1 408.785 4.220 20 5 HIBDMM COc1ccc(S(=O)(=O)[N-]c2ccccc2Nc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000057434750 850637760 /nfs/dbraw/zinc/63/77/60/850637760.db2.gz QFYMJYSGRHWKQI-UHFFFAOYSA-N -1 1 413.455 4.456 20 5 HIBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)cc1C ZINC000060437024 851099397 /nfs/dbraw/zinc/09/93/97/851099397.db2.gz GLODVVLCJNCCSQ-UHFFFAOYSA-N -1 1 419.684 4.428 20 5 HIBDMM Cc1ccc(Br)c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000317334016 855382084 /nfs/dbraw/zinc/38/20/84/855382084.db2.gz FCTOXYXGNFMKQT-UHFFFAOYSA-N -1 1 405.657 4.120 20 5 HIBDMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000438796670 864289908 /nfs/dbraw/zinc/28/99/08/864289908.db2.gz RKUVCUYFXJJBPM-UHFFFAOYSA-N -1 1 413.293 4.337 20 5 HIBDMM COc1cccc(Cc2nnc([N-]C(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])s2)c1 ZINC000439111441 864548529 /nfs/dbraw/zinc/54/85/29/864548529.db2.gz MHPBIHOHSXVIQO-UHFFFAOYSA-N -1 1 418.862 4.260 20 5 HIBDMM COc1cc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc(Cl)c1[O-] ZINC000443196740 867871438 /nfs/dbraw/zinc/87/14/38/867871438.db2.gz MCMALRPQCBRNAF-UHFFFAOYSA-N -1 1 400.778 4.085 20 5 HIBDMM O=C([N-]c1nc2c(s1)CCCCC2)c1sc(Br)cc1[N+](=O)[O-] ZINC000444825815 869034791 /nfs/dbraw/zinc/03/47/91/869034791.db2.gz DFRYGHAEAKYXLR-UHFFFAOYSA-N -1 1 402.295 4.397 20 5 HIBDMM COc1cc(-c2noc(/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc(Br)c1[O-] ZINC000445397662 869482889 /nfs/dbraw/zinc/48/28/89/869482889.db2.gz KRWZIWYRCREVEH-QPJJXVBHSA-N -1 1 418.203 4.292 20 5 HIBDMM COc1cc(-c2noc(Cc3cccc([N+](=O)[O-])c3C)n2)cc(Br)c1[O-] ZINC000445397015 869483097 /nfs/dbraw/zinc/48/30/97/869483097.db2.gz BTPHNLVZDOAYHD-UHFFFAOYSA-N -1 1 420.219 4.021 20 5 HIBDMM Cc1cc(Cl)c2ccccc2c1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000462385678 875498196 /nfs/dbraw/zinc/49/81/96/875498196.db2.gz XMZGJPZAQUQJEZ-UHFFFAOYSA-N -1 1 420.830 4.209 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)c(Cl)c1 ZINC000467397277 881180257 /nfs/dbraw/zinc/18/02/57/881180257.db2.gz TWMYAYHAHKRCEU-UHFFFAOYSA-N -1 1 406.851 4.193 20 5 HIBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2F)s1 ZINC000470622597 885047721 /nfs/dbraw/zinc/04/77/21/885047721.db2.gz UQULATTUROUVCO-UHFFFAOYSA-N -1 1 408.798 4.167 20 5 HIBDMM O=[N+]([O-])c1ccc(NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000474782687 889640465 /nfs/dbraw/zinc/64/04/65/889640465.db2.gz YWKBIDNXPAHIJU-UHFFFAOYSA-N -1 1 401.419 4.147 20 5 HIBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)(C)C3CC3)cc2)cc1[N+](=O)[O-] ZINC000477664886 892801651 /nfs/dbraw/zinc/80/16/51/892801651.db2.gz QSADCCRHSCQQCB-UHFFFAOYSA-N -1 1 417.487 4.079 20 5 HIBDMM COc1ccc(-c2nnc([N-]C(=O)c3cccc(SC)c3[N+](=O)[O-])s2)cc1 ZINC000485518182 900802720 /nfs/dbraw/zinc/80/27/20/900802720.db2.gz UHFHGHRQGFZZGK-UHFFFAOYSA-N -1 1 402.457 4.096 20 5 HIBDMM COc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000488229110 902707052 /nfs/dbraw/zinc/70/70/52/902707052.db2.gz YTTXDRZXMLGRDJ-UHFFFAOYSA-N -1 1 410.757 4.076 20 5 HIBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000516786314 923886350 /nfs/dbraw/zinc/88/63/50/923886350.db2.gz NYLPNZRRTAZJFH-OAHLLOKOSA-N -1 1 401.271 4.331 20 5 HIBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000517208149 924054197 /nfs/dbraw/zinc/05/41/97/924054197.db2.gz VWRRMXWRPFSBDH-UHFFFAOYSA-N -1 1 406.794 4.213 20 5 HIBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000518649378 927403317 /nfs/dbraw/zinc/40/33/17/927403317.db2.gz MDSJQZQSYJTGFS-UHFFFAOYSA-N -1 1 420.447 4.139 20 5 HIBDMM COc1cc(-c2noc([C@@H](C)c3cccc([N+](=O)[O-])c3)n2)cc(Br)c1[O-] ZINC000519031548 927707695 /nfs/dbraw/zinc/70/76/95/927707695.db2.gz NOBHRDQYMUXHKP-VIFPVBQESA-N -1 1 420.219 4.273 20 5 HIBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](c1ccccc1)c1cccc2ccccc21 ZINC000525175173 930076406 /nfs/dbraw/zinc/07/64/06/930076406.db2.gz KYAOCMZTGJHJMQ-NRFANRHFSA-N -1 1 419.462 4.211 20 5 HIBDMM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2ccc3nc(N4CCCC4)sc3c2)s1 ZINC000543959344 940271159 /nfs/dbraw/zinc/27/11/59/940271159.db2.gz QJOXOTDSPOATSA-UHFFFAOYSA-N -1 1 424.529 4.013 20 5 HIBDMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000556570482 942901706 /nfs/dbraw/zinc/90/17/06/942901706.db2.gz FMFCIRABLFPZMH-UHFFFAOYSA-N -1 1 411.650 4.364 20 5 HIBDMM O=C([N-]c1ncc(-c2ccccn2)s1)c1sc(Br)cc1[N+](=O)[O-] ZINC000561019038 944397998 /nfs/dbraw/zinc/39/79/98/944397998.db2.gz NTXKAQSZGMTZEX-UHFFFAOYSA-N -1 1 411.262 4.190 20 5 HIBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3Cl)[nH]n2)c1 ZINC000564129639 945392320 /nfs/dbraw/zinc/39/23/20/945392320.db2.gz PDJMBZDCKIJLIS-UHFFFAOYSA-N -1 1 413.242 4.093 20 5 HIBDMM COc1cc(Cc2noc(-c3cc4ccccc4cc3[O-])n2)c([N+](=O)[O-])c(OC)c1 ZINC000566835763 946126835 /nfs/dbraw/zinc/12/68/35/946126835.db2.gz BKTQBARCOBWXHC-UHFFFAOYSA-N -1 1 407.382 4.112 20 5 HIBDMM COc1cccc(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)c1[N+](=O)[O-] ZINC000436009028 861298845 /nfs/dbraw/zinc/29/88/45/861298845.db2.gz CGWAKALFXVOBFE-UHFFFAOYSA-N -1 1 408.798 4.167 20 5 HIBDMM CCC(CC)c1nnc([N-]C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])s1 ZINC000025578670 847003718 /nfs/dbraw/zinc/00/37/18/847003718.db2.gz OGRZHOPJJNNFSV-UHFFFAOYSA-N -1 1 416.406 4.212 20 5 HIBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)cc1[N+](=O)[O-] ZINC000028807979 847463980 /nfs/dbraw/zinc/46/39/80/847463980.db2.gz FCMYPZBIMBMCOB-UHFFFAOYSA-N -1 1 410.666 4.246 20 5 HIBDMM Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1[N+](=O)[O-] ZINC000436613222 861869995 /nfs/dbraw/zinc/86/99/95/861869995.db2.gz SWZOHAYVVCDUMP-IBGZPJMESA-N -1 1 419.437 4.005 20 5 HIBDMM CCOc1cc(-c2noc(COc3ccc([N+](=O)[O-])c(C)c3)n2)cc(Cl)c1[O-] ZINC000436875008 862051922 /nfs/dbraw/zinc/05/19/22/862051922.db2.gz BQJLXPLWLYMYAJ-UHFFFAOYSA-N -1 1 405.794 4.290 20 5 HIBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(COCc2ccco2)c1 ZINC000055633077 850083073 /nfs/dbraw/zinc/08/30/73/850083073.db2.gz MLJAAULBTYJCIQ-UHFFFAOYSA-N -1 1 402.428 4.014 20 5 HIBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCc1cc2ccccc2[nH]1 ZINC000058544131 850850826 /nfs/dbraw/zinc/85/08/26/850850826.db2.gz LQWCIKNSWQFYKX-UHFFFAOYSA-N -1 1 422.466 4.489 20 5 HIBDMM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000060443341 851101551 /nfs/dbraw/zinc/10/15/51/851101551.db2.gz LZKWLHAASZYOJX-UHFFFAOYSA-N -1 1 411.867 4.014 20 5 HIBDMM CSc1nc(C)c(CCC(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)c(=O)[n-]1 ZINC000261394363 854246565 /nfs/dbraw/zinc/24/65/65/854246565.db2.gz IJYZGIHHRJYQAP-UHFFFAOYSA-N -1 1 416.503 4.029 20 5 HIBDMM O=[N+]([O-])c1cc(F)ccc1NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000301175636 854320542 /nfs/dbraw/zinc/32/05/42/854320542.db2.gz LIXWZHJEKXXWBB-UHFFFAOYSA-N -1 1 401.419 4.147 20 5 HIBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000389498415 855450712 /nfs/dbraw/zinc/45/07/12/855450712.db2.gz BMDCSJGDYYCXGF-UHFFFAOYSA-N -1 1 405.657 4.120 20 5 HIBDMM O=C([N-]c1nnc(-c2ccccc2)s1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429958764 857969599 /nfs/dbraw/zinc/96/95/99/857969599.db2.gz AWBPYSVBWWGRPU-UHFFFAOYSA-N -1 1 405.233 4.128 20 5 HIBDMM CCOCCC1(CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000443894759 868432831 /nfs/dbraw/zinc/43/28/31/868432831.db2.gz IMRBTKJTQQBWMY-UHFFFAOYSA-N -1 1 419.503 4.014 20 5 HIBDMM CCc1[nH]nc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)c1[N+](=O)[O-] ZINC000444340721 868770859 /nfs/dbraw/zinc/77/08/59/868770859.db2.gz QWDAANHVFXAOME-UHFFFAOYSA-N -1 1 409.427 4.115 20 5 HIBDMM COc1cccc(C(=O)[N-]c2nnc(SCc3cccs3)s2)c1[N+](=O)[O-] ZINC000444753657 868987389 /nfs/dbraw/zinc/98/73/89/868987389.db2.gz PCTQRZGWKHLQKG-UHFFFAOYSA-N -1 1 408.486 4.061 20 5 HIBDMM COc1ccc2nc([N-]C(=O)c3sc(Br)cc3[N+](=O)[O-])sc2c1 ZINC000444829489 869037703 /nfs/dbraw/zinc/03/77/03/869037703.db2.gz PJLVPIRVAOPUES-UHFFFAOYSA-N -1 1 414.262 4.289 20 5 HIBDMM O=C([N-]c1nc(C(F)(F)F)cs1)c1sc(Br)cc1[N+](=O)[O-] ZINC000444852693 869055646 /nfs/dbraw/zinc/05/56/46/869055646.db2.gz UESAARPXYAWRSO-UHFFFAOYSA-N -1 1 402.173 4.146 20 5 HIBDMM COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000445017112 869167811 /nfs/dbraw/zinc/16/78/11/869167811.db2.gz FYKWICACISEBNG-AWEZNQCLSA-N -1 1 407.426 4.204 20 5 HIBDMM COc1ccc(CSCc2nc(-c3ccc([O-])cc3Cl)no2)cc1[N+](=O)[O-] ZINC000445450577 869530044 /nfs/dbraw/zinc/53/00/44/869530044.db2.gz YUIHXGPNJQQEGW-UHFFFAOYSA-N -1 1 407.835 4.446 20 5 HIBDMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1-c1cccs1 ZINC000446954822 870859760 /nfs/dbraw/zinc/85/97/60/870859760.db2.gz SWUMKSURAULEJJ-UHFFFAOYSA-N -1 1 412.880 4.063 20 5 HIBDMM CC(=O)c1cc(F)c([N-]C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c(F)c1F ZINC000461096038 874011810 /nfs/dbraw/zinc/01/18/10/874011810.db2.gz SIGCCQFZAQNSBH-UHFFFAOYSA-N -1 1 404.247 4.068 20 5 HIBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Br)c([N+](=O)[O-])c1 ZINC000461118892 874044664 /nfs/dbraw/zinc/04/46/64/874044664.db2.gz QBQYJEZRDWHRSG-UHFFFAOYSA-N -1 1 405.657 4.120 20 5 HIBDMM COCCC1(CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CCC1 ZINC000471746559 886475405 /nfs/dbraw/zinc/47/54/05/886475405.db2.gz DVIZYFUDWOVUOL-UHFFFAOYSA-N -1 1 419.503 4.014 20 5 HIBDMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000482550758 898140310 /nfs/dbraw/zinc/14/03/10/898140310.db2.gz JYHQLRNVXXFOEB-UHFFFAOYSA-N -1 1 406.236 4.198 20 5 HIBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CCC3CCC3)cc2)cc1[N+](=O)[O-] ZINC000486844410 901891418 /nfs/dbraw/zinc/89/14/18/901891418.db2.gz KHGWBINFSGCVKN-UHFFFAOYSA-N -1 1 417.487 4.223 20 5 HIBDMM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cc(-c2ccc(Cl)s2)on1 ZINC000490368292 903961516 /nfs/dbraw/zinc/96/15/16/903961516.db2.gz OWABALSBJTZIKB-UHFFFAOYSA-N -1 1 416.806 4.002 20 5 HIBDMM CCC(C)(CC)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000498680517 908109725 /nfs/dbraw/zinc/10/97/25/908109725.db2.gz KQBSQFSFMUIMJN-UHFFFAOYSA-N -1 1 419.503 4.013 20 5 HIBDMM Cc1ccc(Sc2ccc(CNC3(c4nnn[n-]4)CCCC3)cc2[N+](=O)[O-])cc1 ZINC000499215524 908571346 /nfs/dbraw/zinc/57/13/46/908571346.db2.gz QOMXLFLWZBKKLF-UHFFFAOYSA-N -1 1 410.503 4.127 20 5 HIBDMM Cc1ccc(Sc2ccc(CNC3(c4nn[n-]n4)CCCC3)cc2[N+](=O)[O-])cc1 ZINC000499215524 908571361 /nfs/dbraw/zinc/57/13/61/908571361.db2.gz QOMXLFLWZBKKLF-UHFFFAOYSA-N -1 1 410.503 4.127 20 5 HIBDMM CCO[C@H](c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)c1ccc(F)cc1C(F)(F)F ZINC000516513269 923771831 /nfs/dbraw/zinc/77/18/31/923771831.db2.gz SRHZZJIWBDKIFQ-ZDUSSCGKSA-N -1 1 400.288 4.257 20 5 HIBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000516783021 923886262 /nfs/dbraw/zinc/88/62/62/923886262.db2.gz NQCMGHPVBSCNKL-SFHVURJKSA-N -1 1 420.849 4.455 20 5 HIBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCCOc1ccc(Cl)cc1 ZINC000517909928 926887720 /nfs/dbraw/zinc/88/77/20/926887720.db2.gz SIZONUHRYUYQGZ-UHFFFAOYSA-N -1 1 419.286 4.039 20 5 HIBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](c1ccccc1)c1cccc2ccccc21 ZINC000525175174 930076270 /nfs/dbraw/zinc/07/62/70/930076270.db2.gz KYAOCMZTGJHJMQ-OAQYLSRUSA-N -1 1 419.462 4.211 20 5 HIBDMM C[C@H](C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000562403360 945070888 /nfs/dbraw/zinc/07/08/88/945070888.db2.gz HHKNCJFGXUDKOO-AWEZNQCLSA-N -1 1 411.458 4.105 20 5 HIBDMM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000541802777 939636948 /nfs/dbraw/zinc/63/69/48/939636948.db2.gz NJYVYUCZKQAIAD-UHFFFAOYSA-N -1 1 408.476 4.109 20 5 HIBDMM CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)n[nH]1 ZINC000543567415 940112533 /nfs/dbraw/zinc/11/25/33/940112533.db2.gz OEKPBUYCBADXJO-UHFFFAOYSA-N -1 1 418.475 4.029 20 5 HIBDMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1C ZINC000543657550 940152319 /nfs/dbraw/zinc/15/23/19/940152319.db2.gz JGJLHGSFQYSXFX-UHFFFAOYSA-N -1 1 405.476 4.059 20 5 HIBDMM CSc1cccc(C(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)c1[N+](=O)[O-] ZINC000547942425 941079889 /nfs/dbraw/zinc/07/98/89/941079889.db2.gz FEZDSUWTUBKWTD-UHFFFAOYSA-N -1 1 404.448 4.150 20 5 HIBDMM O=C([O-])c1cc(NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)ccc1[N+](=O)[O-] ZINC000549916670 941237903 /nfs/dbraw/zinc/23/79/03/941237903.db2.gz XRABMACGLUFYHT-UHFFFAOYSA-N -1 1 423.391 4.388 20 5 HIBDMM Cc1c([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc(Br)cc1[N+](=O)[O-] ZINC000573594555 948244952 /nfs/dbraw/zinc/24/49/52/948244952.db2.gz DEAYQOSDBDVIQA-UHFFFAOYSA-N -1 1 421.219 4.404 20 5 HIBDMM CCc1cc(=O)[n-]c(SCc2cc(OC)c(OC[C@@H](C)CC)cc2[N+](=O)[O-])n1 ZINC000436213186 861512395 /nfs/dbraw/zinc/51/23/95/861512395.db2.gz YATQDCVPGGDVGZ-LBPRGKRZSA-N -1 1 407.492 4.379 20 5 HIBDMM COC(=O)c1ccc([O-])c(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)c1 ZINC000436503674 861827317 /nfs/dbraw/zinc/82/73/17/861827317.db2.gz ILQWWTAVLVYZAB-UHFFFAOYSA-N -1 1 404.444 4.087 20 5 HIBDMM CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])c(C)c3)n2)cc(Br)c1[O-] ZINC000436768612 861960689 /nfs/dbraw/zinc/96/06/89/861960689.db2.gz JIRSTTQJGUJDPY-UHFFFAOYSA-N -1 1 420.219 4.487 20 5 HIBDMM Cc1ccsc1CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000301069217 854286381 /nfs/dbraw/zinc/28/63/81/854286381.db2.gz FDXWDFOCSNVSBE-UHFFFAOYSA-N -1 1 403.485 4.378 20 5 HIBDMM O=[N+]([O-])c1ccc(NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)c(F)c1 ZINC000301157035 854314488 /nfs/dbraw/zinc/31/44/88/854314488.db2.gz GINMVXKQZRSDLZ-UHFFFAOYSA-N -1 1 401.419 4.147 20 5 HIBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc([C@H]3CCCc4ccccc43)s2)c1 ZINC000432593398 859244471 /nfs/dbraw/zinc/24/44/71/859244471.db2.gz NJFCGJROBHHOER-HNNXBMFYSA-N -1 1 410.455 4.175 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(Cl)cn3)cc2)cc1 ZINC000438769630 864264847 /nfs/dbraw/zinc/26/48/47/864264847.db2.gz BXXUKKRWWDXEST-UHFFFAOYSA-N -1 1 405.819 4.236 20 5 HIBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(Cl)cn3)cc2)c1 ZINC000442320011 867325893 /nfs/dbraw/zinc/32/58/93/867325893.db2.gz DVTRHGKEAUSUPD-UHFFFAOYSA-N -1 1 405.819 4.236 20 5 HIBDMM COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000445164652 869253908 /nfs/dbraw/zinc/25/39/08/869253908.db2.gz VVZOUWBOJYPFLG-PZJWPPBQSA-N -1 1 419.437 4.075 20 5 HIBDMM COc1cc(-c2noc(-c3cccc([N+](=O)[O-])c3C)n2)cc(Br)c1[O-] ZINC000445392231 869478648 /nfs/dbraw/zinc/47/86/48/869478648.db2.gz MDMYHKCJGWYOLU-UHFFFAOYSA-N -1 1 406.192 4.097 20 5 HIBDMM COc1cc(-c2noc(/C=C/c3ccccc3[N+](=O)[O-])n2)cc(Br)c1[O-] ZINC000445395231 869479727 /nfs/dbraw/zinc/47/97/27/869479727.db2.gz WCXNCNBMBRKUCO-VOTSOKGWSA-N -1 1 418.203 4.292 20 5 HIBDMM CCOc1cc(-c2noc(CN(C)c3ccccc3[N+](=O)[O-])n2)cc(Cl)c1[O-] ZINC000445407621 869492170 /nfs/dbraw/zinc/49/21/70/869492170.db2.gz QBVQERNMZLNBKZ-UHFFFAOYSA-N -1 1 404.810 4.039 20 5 HIBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Oc1ncccc1Br ZINC000468594713 882686929 /nfs/dbraw/zinc/68/69/29/882686929.db2.gz AIJNWBDXIGFXFW-UHFFFAOYSA-N -1 1 417.219 4.433 20 5 HIBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2nc(C)co2)ccc1C ZINC000470443799 884841643 /nfs/dbraw/zinc/84/16/43/884841643.db2.gz BPWRMPCUDPOYMF-UHFFFAOYSA-N -1 1 401.444 4.230 20 5 HIBDMM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000490365494 903958094 /nfs/dbraw/zinc/95/80/94/903958094.db2.gz KKPRJNMFDANBNY-GQCTYLIASA-N -1 1 421.232 4.225 20 5 HIBDMM O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000491951389 904739412 /nfs/dbraw/zinc/73/94/12/904739412.db2.gz BJTUGLHWRLAZBG-UHFFFAOYSA-N -1 1 424.284 4.458 20 5 HIBDMM O=C(Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)c1cccc([O-])c1[N+](=O)[O-] ZINC000538314852 938590944 /nfs/dbraw/zinc/59/09/44/938590944.db2.gz ZJOKOKDOPCROLG-UHFFFAOYSA-N -1 1 410.336 4.374 20 5 HIBDMM O=C(Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1)c1cccc([O-])c1[N+](=O)[O-] ZINC000539447202 938862202 /nfs/dbraw/zinc/86/22/02/938862202.db2.gz SSRGCUOTTAIICT-UHFFFAOYSA-N -1 1 406.373 4.159 20 5 HIBDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)c2)oc1C ZINC000541799680 939636149 /nfs/dbraw/zinc/63/61/49/939636149.db2.gz XZQCMBRMGOYYBH-UHFFFAOYSA-N -1 1 401.444 4.284 20 5 HIBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(COCc3ccco3)c2)c1 ZINC000542729598 939857475 /nfs/dbraw/zinc/85/74/75/939857475.db2.gz PQXIMSSUOUBWOM-UHFFFAOYSA-N -1 1 416.455 4.322 20 5 HIBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(C[S@](=O)C(C)(C)C)c2)c1 ZINC000543657985 940152358 /nfs/dbraw/zinc/15/23/58/940152358.db2.gz SAZJJSGLAHFCGA-MHZLTWQESA-N -1 1 424.544 4.060 20 5 HIBDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC000551477448 941487673 /nfs/dbraw/zinc/48/76/73/941487673.db2.gz LQCMHCBHSBMXCM-UHFFFAOYSA-N -1 1 405.476 4.042 20 5 HIBDMM C[C@H]1C[C@H](CCNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CCO1 ZINC000554739311 942217008 /nfs/dbraw/zinc/21/70/08/942217008.db2.gz XBAXQMWZRNBICG-JKSUJKDBSA-N -1 1 419.503 4.013 20 5 HIBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(CCc2cccc(C(F)(F)F)c2)CC1 ZINC000566541609 946037345 /nfs/dbraw/zinc/03/73/45/946037345.db2.gz CHZHYOPDXHYSRM-UHFFFAOYSA-N -1 1 423.391 4.199 20 5 HIBDMM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c([N+](=O)[O-])c1 ZINC000566988859 946203071 /nfs/dbraw/zinc/20/30/71/946203071.db2.gz MCIDAKDSIJCPKC-UHFFFAOYSA-N -1 1 410.757 4.076 20 5 HIBDMM O=C(Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000571785407 947782083 /nfs/dbraw/zinc/78/20/83/947782083.db2.gz OIWPTSGZILPCIM-UHFFFAOYSA-N -1 1 401.382 4.005 20 5 HIBDMM O=C(Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000571785407 947782110 /nfs/dbraw/zinc/78/21/10/947782110.db2.gz OIWPTSGZILPCIM-UHFFFAOYSA-N -1 1 401.382 4.005 20 5 HIBDMM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)c1 ZINC000078654200 852522970 /nfs/dbraw/zinc/52/29/70/852522970.db2.gz DNIWLUZNDZKDSY-UHFFFAOYSA-N -1 1 404.448 4.150 20 5 HIBDMM C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000261404157 854249798 /nfs/dbraw/zinc/24/97/98/854249798.db2.gz NYQCHWLDIFDQIL-SSDOTTSWSA-N -1 1 413.337 4.013 20 5 HIBDMM Cc1csc([C@@H](C)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])n1 ZINC000301147790 854311711 /nfs/dbraw/zinc/31/17/11/854311711.db2.gz HQSFRVSZWKPBBH-CYBMUJFWSA-N -1 1 418.500 4.334 20 5 HIBDMM CS[C@H]1CC[C@H](Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000301415423 854388539 /nfs/dbraw/zinc/38/85/39/854388539.db2.gz APMPPBNCDOUDGT-GJZGRUSLSA-N -1 1 407.517 4.092 20 5 HIBDMM CCc1nc(CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])cs1 ZINC000302711840 854610346 /nfs/dbraw/zinc/61/03/46/854610346.db2.gz ZSCQIWJZBOMGDU-UHFFFAOYSA-N -1 1 418.500 4.027 20 5 HIBDMM CCOc1cc([N-]C(=O)c2c(C)onc2-c2ccccn2)c([N+](=O)[O-])cc1OCC ZINC000428501834 857229141 /nfs/dbraw/zinc/22/91/41/857229141.db2.gz YBYDCHMLGRMCSM-UHFFFAOYSA-N -1 1 412.402 4.003 20 5 HIBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000432060465 858958702 /nfs/dbraw/zinc/95/87/02/858958702.db2.gz DRDGQGRBYKVGKH-UHFFFAOYSA-N -1 1 418.393 4.244 20 5 HIBDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442308495 867319474 /nfs/dbraw/zinc/31/94/74/867319474.db2.gz UQISESQWKFPTJI-UHFFFAOYSA-N -1 1 409.349 4.135 20 5 HIBDMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000444380695 868801599 /nfs/dbraw/zinc/80/15/99/868801599.db2.gz OCIRJGBYFZYQOS-UHFFFAOYSA-N -1 1 417.849 4.269 20 5 HIBDMM CCOc1cc(-c2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)cc(Cl)c1[O-] ZINC000445404123 869488186 /nfs/dbraw/zinc/48/81/86/869488186.db2.gz BLSLICJSQRMAOD-UHFFFAOYSA-N -1 1 414.805 4.406 20 5 HIBDMM Cc1c([N-]S(=O)(=O)c2ccc3ncccc3c2)cc(Br)cc1[N+](=O)[O-] ZINC000485395043 900692285 /nfs/dbraw/zinc/69/22/85/900692285.db2.gz BUXLBSVOXVZOCD-UHFFFAOYSA-N -1 1 422.260 4.015 20 5 HIBDMM Cc1ccc(Cc2nnc([N-]C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)s2)cc1 ZINC000489376598 903351211 /nfs/dbraw/zinc/35/12/11/903351211.db2.gz DYONNMSVGJSFPT-UHFFFAOYSA-N -1 1 420.397 4.199 20 5 HIBDMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1C ZINC000491572387 904656954 /nfs/dbraw/zinc/65/69/54/904656954.db2.gz MQYFJIHICURVMO-UHFFFAOYSA-N -1 1 405.476 4.059 20 5 HIBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)oc3c2)cc1[N+](=O)[O-] ZINC000491719982 904688045 /nfs/dbraw/zinc/68/80/45/904688045.db2.gz KPNHDQLHUFPWNV-UHFFFAOYSA-N -1 1 424.438 4.216 20 5 HIBDMM CC(C)Cc1nnc([N-]C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])s1 ZINC000495125431 906255684 /nfs/dbraw/zinc/25/56/84/906255684.db2.gz ZYQRTCPZOJIIJB-UHFFFAOYSA-N -1 1 412.471 4.476 20 5 HIBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(NC(=O)c2cccs2)cc1 ZINC000501804703 910855216 /nfs/dbraw/zinc/85/52/16/910855216.db2.gz ZOKIZPFHWCRVCY-UHFFFAOYSA-N -1 1 417.468 4.018 20 5 HIBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCSc2ccc(Cl)cc21 ZINC000520028487 928250121 /nfs/dbraw/zinc/25/01/21/928250121.db2.gz CERQAUQAOSCDMJ-LBPRGKRZSA-N -1 1 419.311 4.417 20 5 HIBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(COCc2ccco2)c1 ZINC000520767929 928807903 /nfs/dbraw/zinc/80/79/03/928807903.db2.gz IYBUGBULQNTEIH-UHFFFAOYSA-N -1 1 416.455 4.268 20 5 HIBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2csc(C)n2)c1 ZINC000520769489 928808887 /nfs/dbraw/zinc/80/88/87/928808887.db2.gz BDKPRKIQSMXHNG-UHFFFAOYSA-N -1 1 403.485 4.390 20 5 HIBDMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000521667968 929357377 /nfs/dbraw/zinc/35/73/77/929357377.db2.gz UBXJDQVYYUUVJJ-VIFPVBQESA-N -1 1 403.913 4.042 20 5 HIBDMM COc1ccc(-c2nnc([N-]C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])s2)cc1 ZINC000534237053 932356921 /nfs/dbraw/zinc/35/69/21/932356921.db2.gz JQEAUEJWNKKARU-UHFFFAOYSA-N -1 1 424.360 4.393 20 5 HIBDMM Cc1n[nH]c([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1-c1ccccc1 ZINC000535394684 933113056 /nfs/dbraw/zinc/11/30/56/933113056.db2.gz NEPHLVUMHBAOKS-UHFFFAOYSA-N -1 1 406.851 4.056 20 5 HIBDMM COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Br)ccc2[O-])cc1SC ZINC000535413674 933124250 /nfs/dbraw/zinc/12/42/50/933124250.db2.gz IRZULOMAFLFAJI-UHFFFAOYSA-N -1 1 413.249 4.046 20 5 HIBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)c1 ZINC000544639645 940496736 /nfs/dbraw/zinc/49/67/36/940496736.db2.gz HOFXYQUUZCYZLK-UHFFFAOYSA-N -1 1 422.513 4.015 20 5 HIBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2Cl)c([N+](=O)[O-])c1 ZINC000573334045 948158007 /nfs/dbraw/zinc/15/80/07/948158007.db2.gz QWNNFVDEGHSQPP-UHFFFAOYSA-N -1 1 405.657 4.120 20 5 HIBDMM CCc1cc(=O)[n-]c(SCc2cc(OC)c(OC[C@H](C)CC)cc2[N+](=O)[O-])n1 ZINC000436213185 861512658 /nfs/dbraw/zinc/51/26/58/861512658.db2.gz YATQDCVPGGDVGZ-GFCCVEGCSA-N -1 1 407.492 4.379 20 5 HIBDMM COc1cc2c(cc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)oc1ccccc12 ZINC000024101157 846790281 /nfs/dbraw/zinc/79/02/81/846790281.db2.gz PPMKICXOGZJIQB-UHFFFAOYSA-N -1 1 414.395 4.009 20 5 HIBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000060412049 851091322 /nfs/dbraw/zinc/09/13/22/851091322.db2.gz JENGASHDYAXNTN-UHFFFAOYSA-N -1 1 417.468 4.018 20 5 HIBDMM CS[C@@H]1CC[C@@H](Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000301415425 854388121 /nfs/dbraw/zinc/38/81/21/854388121.db2.gz APMPPBNCDOUDGT-HUUCEWRRSA-N -1 1 407.517 4.092 20 5 HIBDMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3c(C)ccc([N+](=O)[O-])c3C)c2)n1 ZINC000410330776 855932459 /nfs/dbraw/zinc/93/24/59/855932459.db2.gz ZYGHGJHYHINGOW-UHFFFAOYSA-N -1 1 403.485 4.444 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)c2ncccc12 ZINC000410420451 855988026 /nfs/dbraw/zinc/98/80/26/855988026.db2.gz GAVPYFRCWSUIPL-UHFFFAOYSA-N -1 1 416.217 4.390 20 5 HIBDMM CC(C)c1ccc(CN[C@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000426727627 856438344 /nfs/dbraw/zinc/43/83/44/856438344.db2.gz PFPRFNQDBZQRSN-HXUWFJFHSA-N -1 1 408.458 4.210 20 5 HIBDMM O=C(Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000437506240 862857322 /nfs/dbraw/zinc/85/73/22/862857322.db2.gz HBGTZGJVBITMEC-UHFFFAOYSA-N -1 1 401.382 4.005 20 5 HIBDMM O=C(Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000437506240 862857323 /nfs/dbraw/zinc/85/73/23/862857323.db2.gz HBGTZGJVBITMEC-UHFFFAOYSA-N -1 1 401.382 4.005 20 5 HIBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc(SCc2cccs2)s1 ZINC000427957810 857022213 /nfs/dbraw/zinc/02/22/13/857022213.db2.gz HHVNJHXSYLPXQN-UHFFFAOYSA-N -1 1 408.486 4.061 20 5 HIBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000467792004 881615994 /nfs/dbraw/zinc/61/59/94/881615994.db2.gz ZACCDOGMXAAHCN-CYBMUJFWSA-N -1 1 417.874 4.350 20 5 HIBDMM COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000445017114 869167594 /nfs/dbraw/zinc/16/75/94/869167594.db2.gz FYKWICACISEBNG-CQSZACIVSA-N -1 1 407.426 4.204 20 5 HIBDMM O=C(N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445149418 869243719 /nfs/dbraw/zinc/24/37/19/869243719.db2.gz KWWSGDLJUDABCQ-CQSZACIVSA-N -1 1 415.755 4.249 20 5 HIBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc4[nH]c(-c5cscn5)nc4c3)no2)cc1[O-] ZINC000463170540 876226857 /nfs/dbraw/zinc/22/68/57/876226857.db2.gz HGUCCACFQWSWKY-UHFFFAOYSA-N -1 1 406.383 4.017 20 5 HIBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc4ccccc4n3C)c2)cc1[N+](=O)[O-] ZINC000467083800 880853516 /nfs/dbraw/zinc/85/35/16/880853516.db2.gz GZLKHUXOOPEFDG-UHFFFAOYSA-N -1 1 422.466 4.258 20 5 HIBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3F)s2)c1 ZINC000470639088 885063738 /nfs/dbraw/zinc/06/37/38/885063738.db2.gz WAWTVGAVQIAZND-UHFFFAOYSA-N -1 1 408.798 4.167 20 5 HIBDMM C[C@@H](CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])C(F)(F)F ZINC000475728715 890666891 /nfs/dbraw/zinc/66/68/91/890666891.db2.gz CKGYMXZRNUZUNY-NSHDSACASA-N -1 1 403.382 4.006 20 5 HIBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1CC[C@H](c2ccccc2)C1 ZINC000477590283 892666155 /nfs/dbraw/zinc/66/61/55/892666155.db2.gz SECBZKSPMHIBCT-SFHVURJKSA-N -1 1 423.494 4.390 20 5 HIBDMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000482693134 898293405 /nfs/dbraw/zinc/29/34/05/898293405.db2.gz LUQCPDWCMYDJRP-JTQLQIEISA-N -1 1 411.277 4.491 20 5 HIBDMM CN(C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Cl)C1CCCCC1 ZINC000488700221 902950477 /nfs/dbraw/zinc/95/04/77/902950477.db2.gz VICKHTJYMGPLGG-UHFFFAOYSA-N -1 1 404.854 4.233 20 5 HIBDMM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000489965243 903699605 /nfs/dbraw/zinc/69/96/05/903699605.db2.gz LZMYVIZJKWLLDY-GQCTYLIASA-N -1 1 408.342 4.063 20 5 HIBDMM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000490377376 903970423 /nfs/dbraw/zinc/97/04/23/903970423.db2.gz ZCZLYLOBCFUNJB-XQRVVYSFSA-N -1 1 410.333 4.481 20 5 HIBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCc1cc(F)cc(F)c1 ZINC000503065650 912029350 /nfs/dbraw/zinc/02/93/50/912029350.db2.gz ZQTBGAZKAPMIPD-UHFFFAOYSA-N -1 1 419.409 4.286 20 5 HIBDMM Cc1csc(Nc2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2)n1 ZINC000517896973 926880031 /nfs/dbraw/zinc/88/00/31/926880031.db2.gz MTJHUGQGJPXELB-UHFFFAOYSA-N -1 1 404.473 4.213 20 5 HIBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C(c1ccccc1)c1ccccc1 ZINC000517914856 926889088 /nfs/dbraw/zinc/88/90/88/926889088.db2.gz DHBIOZHLEKNAEF-UHFFFAOYSA-N -1 1 402.859 4.316 20 5 HIBDMM O=C([N-]c1nnc(SCc2ccc(F)cc2)s1)c1ccc(F)cc1[N+](=O)[O-] ZINC000531557116 931102027 /nfs/dbraw/zinc/10/20/27/931102027.db2.gz HALOZRCJTBYISH-UHFFFAOYSA-N -1 1 408.411 4.269 20 5 HIBDMM CC(C)(C)Cc1nc2cc([N-]S(=O)(=O)Cc3ccccc3[N+](=O)[O-])ccc2o1 ZINC000546791808 940883927 /nfs/dbraw/zinc/88/39/27/940883927.db2.gz WNKISUODVSUJQO-UHFFFAOYSA-N -1 1 403.460 4.267 20 5 HIBDMM O=C(CCNc1ccccc1[N+](=O)[O-])Nc1c([O-])cc(Br)cc1Cl ZINC000552022632 941569780 /nfs/dbraw/zinc/56/97/80/941569780.db2.gz ZEJOSNWENWAHJU-UHFFFAOYSA-N -1 1 414.643 4.157 20 5 HIBDMM COc1cccc(C(=O)[N-]c2nnc([C@H]3CCCc4ccccc43)s2)c1[N+](=O)[O-] ZINC000435970458 861231183 /nfs/dbraw/zinc/23/11/83/861231183.db2.gz MDRHFUZKACIYFV-AWEZNQCLSA-N -1 1 410.455 4.175 20 5 HIBDMM CCOC(=O)c1c(-c2ccc(OC)cc2)csc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000020461508 846385376 /nfs/dbraw/zinc/38/53/76/846385376.db2.gz NYXRIQHBWTZDAD-UHFFFAOYSA-N -1 1 416.411 4.354 20 5 HIBDMM COc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000028781464 847459146 /nfs/dbraw/zinc/45/91/46/847459146.db2.gz YCIUDSCLOZUKJO-UHFFFAOYSA-N -1 1 400.412 4.197 20 5 HIBDMM CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)cc(Br)c1[O-] ZINC000436758825 861948308 /nfs/dbraw/zinc/94/83/08/861948308.db2.gz ZQEJYFRCBUCOSJ-UHFFFAOYSA-N -1 1 406.192 4.179 20 5 HIBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)C(C)(C)C)c2)c1C ZINC000303536905 855023000 /nfs/dbraw/zinc/02/30/00/855023000.db2.gz SVTBGJOLGQRXIH-UHFFFAOYSA-N -1 1 419.503 4.305 20 5 HIBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc([C@@H]2CCCc3ccccc32)s1 ZINC000432635012 859264503 /nfs/dbraw/zinc/26/45/03/859264503.db2.gz VJKZTBCUTOXMPF-OAHLLOKOSA-N -1 1 410.455 4.175 20 5 HIBDMM O=C([N-]c1nnc(-c2ccsc2)s1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000439213082 864634472 /nfs/dbraw/zinc/63/44/72/864634472.db2.gz HTCAQUHNZOWCKF-UHFFFAOYSA-N -1 1 400.363 4.446 20 5 HIBDMM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1ccc(Br)cc1[N+](=O)[O-] ZINC000442924981 867743012 /nfs/dbraw/zinc/74/30/12/867743012.db2.gz LMAFDWPILPJUKJ-UHFFFAOYSA-N -1 1 421.125 4.214 20 5 HIBDMM O=C(N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445149417 869244493 /nfs/dbraw/zinc/24/44/93/869244493.db2.gz KWWSGDLJUDABCQ-AWEZNQCLSA-N -1 1 415.755 4.249 20 5 HIBDMM COc1cc(-c2noc(-c3cc([N+](=O)[O-])ccc3C)n2)cc(Br)c1[O-] ZINC000445397577 869483031 /nfs/dbraw/zinc/48/30/31/869483031.db2.gz JKTPOQMYNCYXEP-UHFFFAOYSA-N -1 1 406.192 4.097 20 5 HIBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(-c2nc3ccccc3n2C)c1 ZINC000467085330 880854713 /nfs/dbraw/zinc/85/47/13/880854713.db2.gz MEDMEJGICMFGEY-UHFFFAOYSA-N -1 1 422.466 4.258 20 5 HIBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000467201052 880931807 /nfs/dbraw/zinc/93/18/07/880931807.db2.gz LDQCUXAERNKUIG-UHFFFAOYSA-N -1 1 410.455 4.105 20 5 HIBDMM CCOC1CC(CCNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000473724486 888501232 /nfs/dbraw/zinc/50/12/32/888501232.db2.gz PGWDYOWTJDWCLS-UHFFFAOYSA-N -1 1 419.503 4.013 20 5 HIBDMM CC[C@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000481016917 896347012 /nfs/dbraw/zinc/34/70/12/896347012.db2.gz KOCMCLKCTYZBJY-JTQLQIEISA-N -1 1 423.438 4.117 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c(C(F)(F)F)c1 ZINC000481873750 897245527 /nfs/dbraw/zinc/24/55/27/897245527.db2.gz KZQBJYLIJUGQDM-UHFFFAOYSA-N -1 1 422.768 4.003 20 5 HIBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCO[C@@H]1CCCc2ccccc21 ZINC000506225245 914851377 /nfs/dbraw/zinc/85/13/77/914851377.db2.gz IEVZKBLYSRGPMK-GOSISDBHSA-N -1 1 424.906 4.011 20 5 HIBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(SC[C@@H]3CCCO3)c([N+](=O)[O-])c2)c(C)c1 ZINC000497346564 906843664 /nfs/dbraw/zinc/84/36/64/906843664.db2.gz DRZWOLQKIBCEGE-HNNXBMFYSA-N -1 1 422.528 4.284 20 5 HIBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)c([N+](=O)[O-])c1 ZINC000500469767 909876096 /nfs/dbraw/zinc/87/60/96/909876096.db2.gz LZOXOVAVIRJAJI-UHFFFAOYSA-N -1 1 405.657 4.120 20 5 HIBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000518657146 927410025 /nfs/dbraw/zinc/41/00/25/927410025.db2.gz HBJPFMHSZXCNEZ-SECBINFHSA-N -1 1 419.684 4.050 20 5 HIBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000521667952 929356673 /nfs/dbraw/zinc/35/66/73/929356673.db2.gz UBXJDQVYYUUVJJ-SECBINFHSA-N -1 1 403.913 4.042 20 5 HIBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1CCC[C@H]1c1ccccn1 ZINC000530908661 930855905 /nfs/dbraw/zinc/85/59/05/930855905.db2.gz CFXWBSNYPZJVNT-IBGZPJMESA-N -1 1 424.482 4.132 20 5 HIBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1Cl ZINC000534243742 932361918 /nfs/dbraw/zinc/36/19/18/932361918.db2.gz JDVKWGPZPWKWFW-UHFFFAOYSA-N -1 1 410.757 4.076 20 5 HIBDMM CC(C)(CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])C(F)(F)F ZINC000565375447 945818518 /nfs/dbraw/zinc/81/85/18/945818518.db2.gz KGUXTQAKKQDXOR-UHFFFAOYSA-N -1 1 417.409 4.396 20 5 HIBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCc1ccccc1F ZINC000007983969 845458546 /nfs/dbraw/zinc/45/85/46/845458546.db2.gz MWFLZSLAFANNDO-UHFFFAOYSA-N -1 1 401.419 4.147 20 5 HIBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCSc2ccc(Cl)cc21 ZINC000029965230 847661104 /nfs/dbraw/zinc/66/11/04/847661104.db2.gz URWMDWIFGXXITN-LBPRGKRZSA-N -1 1 419.311 4.417 20 5 HIBDMM O=c1[nH]c(-c2ccc([O-])c(I)c2)nc2cc3ccccc3cc12 ZINC000436752497 861934940 /nfs/dbraw/zinc/93/49/40/861934940.db2.gz RPFDNCYDPIXGFU-UHFFFAOYSA-N -1 1 414.202 4.466 20 5 HIBDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)c2)oc1C ZINC000108236557 852830988 /nfs/dbraw/zinc/83/09/88/852830988.db2.gz SSDPTLKGHKDYDL-UHFFFAOYSA-N -1 1 401.444 4.284 20 5 HIBDMM C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000303456562 854956758 /nfs/dbraw/zinc/95/67/58/854956758.db2.gz KDQIYXPYUMJUSX-JTQLQIEISA-N -1 1 422.812 4.177 20 5 HIBDMM Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)cccc1[N+](=O)[O-] ZINC000319403402 855385152 /nfs/dbraw/zinc/38/51/52/855385152.db2.gz FQDNBXGLNHLXQE-UHFFFAOYSA-N -1 1 405.657 4.120 20 5 HIBDMM Cc1ccc([C@H]2OCCC[C@@H]2C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000437696152 863032604 /nfs/dbraw/zinc/03/26/04/863032604.db2.gz KHENLSQNLSVCTM-CRAIPNDOSA-N -1 1 424.906 4.003 20 5 HIBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Sc2ccncc2)cc1 ZINC000435146759 860665129 /nfs/dbraw/zinc/66/51/29/860665129.db2.gz PACKBPDTYNBVLX-UHFFFAOYSA-N -1 1 401.469 4.250 20 5 HIBDMM CCOc1cc(-c2noc(Cc3cccc([N+](=O)[O-])c3)n2)cc(Br)c1[O-] ZINC000438744607 864233896 /nfs/dbraw/zinc/23/38/96/864233896.db2.gz DICATNBTNUEJCT-UHFFFAOYSA-N -1 1 420.219 4.102 20 5 HIBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000446762791 870677256 /nfs/dbraw/zinc/67/72/56/870677256.db2.gz WAGNMPVAMIYEFM-UHFFFAOYSA-N -1 1 419.684 4.261 20 5 HIBDMM Cc1sc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000467056149 880844708 /nfs/dbraw/zinc/84/47/08/880844708.db2.gz GFJFYWRPWBIASI-NSHDSACASA-N -1 1 412.386 4.076 20 5 HIBDMM CC[C@H](Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])C1CCOCC1 ZINC000470867589 885355548 /nfs/dbraw/zinc/35/55/48/885355548.db2.gz XVDBIENLLXQQEG-SFHVURJKSA-N -1 1 419.503 4.013 20 5 HIBDMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000482693135 898292895 /nfs/dbraw/zinc/29/28/95/898292895.db2.gz LUQCPDWCMYDJRP-SNVBAGLBSA-N -1 1 411.277 4.491 20 5 HIBDMM Cc1cnc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])c(Br)c1 ZINC000486415828 901574883 /nfs/dbraw/zinc/57/48/83/901574883.db2.gz JYHYQFPILURVTL-UHFFFAOYSA-N -1 1 421.070 4.137 20 5 HIBDMM CCCCOc1ccc([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c(C)c1 ZINC000488216021 902697918 /nfs/dbraw/zinc/69/79/18/902697918.db2.gz HGBUXIPVHJANIJ-UHFFFAOYSA-N -1 1 412.439 4.031 20 5 HIBDMM O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507391636 916154895 /nfs/dbraw/zinc/15/48/95/916154895.db2.gz HKIYURJTFOGNRH-UHFFFAOYSA-N -1 1 416.262 4.083 20 5 HIBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000509677484 918309297 /nfs/dbraw/zinc/30/92/97/918309297.db2.gz BFXMOHOUGRFQOW-ZWNOBZJWSA-N -1 1 420.796 4.101 20 5 HIBDMM COc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000511135367 919753422 /nfs/dbraw/zinc/75/34/22/919753422.db2.gz OYDOPTXKBRAMBC-UHFFFAOYSA-N -1 1 400.412 4.197 20 5 HIBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(Cn2ccnc2C(C)C)c1 ZINC000518704262 927445531 /nfs/dbraw/zinc/44/55/31/927445531.db2.gz CCOSBDJDOGQJKE-UHFFFAOYSA-N -1 1 414.487 4.072 20 5 HIBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000522010562 929618310 /nfs/dbraw/zinc/61/83/10/929618310.db2.gz KLMLDFOJKVWWKP-UHFFFAOYSA-N -1 1 405.476 4.052 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)c2ccccc2F)s1 ZINC000525386553 930212372 /nfs/dbraw/zinc/21/23/72/930212372.db2.gz VOTLWPRXZNHKGC-MRXNPFEDSA-N -1 1 406.460 4.058 20 5 HIBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1Cl ZINC000534978917 932873118 /nfs/dbraw/zinc/87/31/18/932873118.db2.gz VEYNRPHNWRQHBX-UHFFFAOYSA-N -1 1 410.757 4.076 20 5 HIBDMM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000545381696 940567361 /nfs/dbraw/zinc/56/73/61/940567361.db2.gz WGPSGWSCAUMLAD-UHFFFAOYSA-N -1 1 418.393 4.343 20 5 HIBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(-c3cc(Cl)ccc3Cl)n2)c1 ZINC000549728084 941205858 /nfs/dbraw/zinc/20/58/58/941205858.db2.gz LBPYTXUPJGVDCU-UHFFFAOYSA-N -1 1 422.228 4.338 20 5 HIBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000550629566 941347683 /nfs/dbraw/zinc/34/76/83/941347683.db2.gz JTGWEQLVQWVAKH-UHFFFAOYSA-N -1 1 420.796 4.235 20 5 HIBDMM C[C@@H]1C[C@H](CCNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CCO1 ZINC000554739310 942217221 /nfs/dbraw/zinc/21/72/21/942217221.db2.gz XBAXQMWZRNBICG-HZPDHXFCSA-N -1 1 419.503 4.013 20 5 HIBDMM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1c([O-])cc(Br)cc1Cl ZINC000570311666 947188891 /nfs/dbraw/zinc/18/88/91/947188891.db2.gz ZVHADULBMGWEDT-UHFFFAOYSA-N -1 1 424.638 4.379 20 5 HIBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)c1C ZINC000007323958 845311340 /nfs/dbraw/zinc/31/13/40/845311340.db2.gz IRFDHEBGZNQREX-UHFFFAOYSA-N -1 1 404.444 4.054 20 5 HIBDMM C[C@@H](CCc1ccco1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000008205277 845491810 /nfs/dbraw/zinc/49/18/10/845491810.db2.gz HCWAWURSHMEOHK-HNNXBMFYSA-N -1 1 415.471 4.422 20 5 HIBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)OC1(CCCCC1)O2 ZINC000028791166 847461675 /nfs/dbraw/zinc/46/16/75/847461675.db2.gz JWNQTTPMBFWFHW-UHFFFAOYSA-N -1 1 404.444 4.136 20 5 HIBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(COCc3ccco3)c2)cc1[N+](=O)[O-] ZINC000055633119 850085524 /nfs/dbraw/zinc/08/55/24/850085524.db2.gz XCHCWJLILUPVGC-UHFFFAOYSA-N -1 1 402.428 4.014 20 5 HIBDMM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1OC ZINC000426808475 856490075 /nfs/dbraw/zinc/49/00/75/856490075.db2.gz RNCMFXBNXLJWLA-KRWDZBQOSA-N -1 1 402.447 4.041 20 5 HIBDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccccc2SCc2ccccc2OC)n1 ZINC000427371349 856798224 /nfs/dbraw/zinc/79/82/24/856798224.db2.gz BGGRMYRYKXVLRS-UHFFFAOYSA-N -1 1 412.471 4.364 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H](c2ccccc2)C(F)(F)F)c(Cl)c1 ZINC000432298402 859091490 /nfs/dbraw/zinc/09/14/90/859091490.db2.gz AHRLJYMVUAPUPE-CYBMUJFWSA-N -1 1 422.812 4.263 20 5 HIBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000432357141 859118937 /nfs/dbraw/zinc/11/89/37/859118937.db2.gz LCYKWKIMBGGESC-UHFFFAOYSA-N -1 1 419.684 4.428 20 5 HIBDMM CCC1(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)CCC1 ZINC000434215986 860200756 /nfs/dbraw/zinc/20/07/56/860200756.db2.gz ZCOUAGRPOSHBPE-UHFFFAOYSA-N -1 1 417.487 4.223 20 5 HIBDMM CC(C)c1oc([C@@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000445020458 869170092 /nfs/dbraw/zinc/17/00/92/869170092.db2.gz OMCLDJUFYMFENH-INIZCTEOSA-N -1 1 422.441 4.451 20 5 HIBDMM CCc1ccc(-c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)cc1[N+](=O)[O-] ZINC000445396313 869481634 /nfs/dbraw/zinc/48/16/34/869481634.db2.gz XZOIDDBQMMPOFG-UHFFFAOYSA-N -1 1 420.219 4.351 20 5 HIBDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c(F)c1 ZINC000447002150 870885577 /nfs/dbraw/zinc/88/55/77/870885577.db2.gz YYIDOWCMZPCVLO-UHFFFAOYSA-N -1 1 422.356 4.341 20 5 HIBDMM CCCOc1cc([N-]C(=O)c2snnc2C2CC2)c([N+](=O)[O-])cc1OCCC ZINC000463279749 876336542 /nfs/dbraw/zinc/33/65/42/876336542.db2.gz AAARLQIZRUKAAB-UHFFFAOYSA-N -1 1 406.464 4.154 20 5 HIBDMM O=C([N-]c1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1ccc(F)cc1[N+](=O)[O-] ZINC000466425323 880198254 /nfs/dbraw/zinc/19/82/54/880198254.db2.gz JOXUIBOHXZAJNZ-UHFFFAOYSA-N -1 1 402.451 4.306 20 5 HIBDMM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000475828334 890762363 /nfs/dbraw/zinc/76/23/63/890762363.db2.gz FSNZEVCZWPJPSH-UHFFFAOYSA-N -1 1 403.243 4.295 20 5 HIBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1CC[C@@H](c2ccccc2)C1 ZINC000477590282 892664930 /nfs/dbraw/zinc/66/49/30/892664930.db2.gz SECBZKSPMHIBCT-GOSISDBHSA-N -1 1 423.494 4.390 20 5 HIBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Br)c([N+](=O)[O-])c1 ZINC000479106089 894369995 /nfs/dbraw/zinc/36/99/95/894369995.db2.gz IBDXKGGDBNVMHW-UHFFFAOYSA-N -1 1 405.657 4.120 20 5 HIBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000479472569 894794652 /nfs/dbraw/zinc/79/46/52/894794652.db2.gz DELYNJGKLDNZBM-UHFFFAOYSA-N -1 1 408.241 4.322 20 5 HIBDMM COc1c(C(=O)[N-]c2nc(-c3ccc(SC)cc3)ns2)cccc1[N+](=O)[O-] ZINC000480198285 895595780 /nfs/dbraw/zinc/59/57/80/895595780.db2.gz NEUDSVBIRMTXLH-UHFFFAOYSA-N -1 1 402.457 4.096 20 5 HIBDMM COCCCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000480609581 895975855 /nfs/dbraw/zinc/97/58/55/895975855.db2.gz LULVWVLIPOFOLL-MRXNPFEDSA-N -1 1 412.895 4.085 20 5 HIBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(COCc3ccco3)c2)cc1[N+](=O)[O-] ZINC000491603529 904671131 /nfs/dbraw/zinc/67/11/31/904671131.db2.gz DLDXNXWGIFURDU-UHFFFAOYSA-N -1 1 416.455 4.322 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccc(Cl)cc2)s1 ZINC000512758778 921302864 /nfs/dbraw/zinc/30/28/64/921302864.db2.gz LMJOLILOLYDWEQ-KRWDZBQOSA-N -1 1 408.888 4.378 20 5 HIBDMM CCC[C@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000498043185 907550530 /nfs/dbraw/zinc/55/05/30/907550530.db2.gz VMYIQKTXHYPHLR-AWEZNQCLSA-N -1 1 405.476 4.079 20 5 HIBDMM O=C(Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000508277570 917091698 /nfs/dbraw/zinc/09/16/98/917091698.db2.gz BLENWHIHJHHALW-UHFFFAOYSA-N -1 1 406.373 4.159 20 5 HIBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCc1cc(F)ccc1F ZINC000520562262 928643605 /nfs/dbraw/zinc/64/36/05/928643605.db2.gz COZABBZENXXZHH-UHFFFAOYSA-N -1 1 419.409 4.286 20 5 HIBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cc(Br)cc1C ZINC000520768984 928809159 /nfs/dbraw/zinc/80/91/59/928809159.db2.gz UVRWOLYNHIRHCT-UHFFFAOYSA-N -1 1 413.293 4.337 20 5 HIBDMM CCC[C@H](CC)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000520980490 928899650 /nfs/dbraw/zinc/89/96/50/928899650.db2.gz ZCTKSRRHVASESQ-INIZCTEOSA-N -1 1 419.503 4.013 20 5 HIBDMM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1coc(-c2ccccc2Cl)n1 ZINC000538447739 938624372 /nfs/dbraw/zinc/62/43/72/938624372.db2.gz FYPMGWAVMWPLSI-UHFFFAOYSA-N -1 1 415.789 4.317 20 5 HIBDMM O=[N+]([O-])c1ccc(-c2noc(-c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)n2)cc1 ZINC000545553896 940574568 /nfs/dbraw/zinc/57/45/68/940574568.db2.gz SZAOMNUWTXHNBX-UHFFFAOYSA-N -1 1 422.422 4.113 20 5 HIBDMM O=c1[n-]c(-c2n[nH]c(-c3cccc(Br)c3)n2)nc2cc3ccccc3cc12 ZINC000551596755 941509229 /nfs/dbraw/zinc/50/92/29/941509229.db2.gz VKAPNRABPRKLDN-UHFFFAOYSA-N -1 1 418.254 4.291 20 5 HIBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000016147516 846130766 /nfs/dbraw/zinc/13/07/66/846130766.db2.gz NTOAJSZIBDPZAI-UHFFFAOYSA-N -1 1 410.757 4.076 20 5 HIBDMM CCc1cc2c(COC(=O)c3cc(SC)ccc3[N+](=O)[O-])cc(=O)oc2cc1[O-] ZINC000016196744 846137507 /nfs/dbraw/zinc/13/75/07/846137507.db2.gz MQGZYGBBISUXSW-UHFFFAOYSA-N -1 1 415.423 4.048 20 5 HIBDMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C3CCCCC3)s2)cc1OC ZINC000029185776 847522168 /nfs/dbraw/zinc/52/21/68/847522168.db2.gz COPRNFSGVPZFHT-UHFFFAOYSA-N -1 1 406.464 4.154 20 5 HIBDMM O=C([N-]c1nc(-c2ccccc2)ns1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050331984 849372658 /nfs/dbraw/zinc/37/26/58/849372658.db2.gz DHXJJKBRZBYFTB-UHFFFAOYSA-N -1 1 409.452 4.489 20 5 HIBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)cc1[N+](=O)[O-] ZINC000064938315 852028137 /nfs/dbraw/zinc/02/81/37/852028137.db2.gz KDIUXPTUZUBNOU-UHFFFAOYSA-N -1 1 410.879 4.284 20 5 HIBDMM O=[N+]([O-])c1cc(Cl)cnc1Oc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000301753061 854459871 /nfs/dbraw/zinc/45/98/71/854459871.db2.gz VVWVHNKNZOQZPS-UHFFFAOYSA-N -1 1 405.819 4.236 20 5 HIBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc(Cl)c1Br ZINC000319121640 855385446 /nfs/dbraw/zinc/38/54/46/855385446.db2.gz DQLYZSYHOLFHIU-UHFFFAOYSA-N -1 1 405.657 4.120 20 5 HIBDMM COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)[N-]c2nnc(C(F)F)s2)cc1 ZINC000409465760 855493755 /nfs/dbraw/zinc/49/37/55/855493755.db2.gz WYJHZPLNMNGUMO-UHFFFAOYSA-N -1 1 422.369 4.437 20 5 HIBDMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000410412591 855982312 /nfs/dbraw/zinc/98/23/12/855982312.db2.gz DFTSXAPHMAMNEK-UHFFFAOYSA-N -1 1 420.878 4.066 20 5 HIBDMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000444391817 868805322 /nfs/dbraw/zinc/80/53/22/868805322.db2.gz LVYYXXCLWRFVJA-UHFFFAOYSA-N -1 1 417.849 4.269 20 5 HIBDMM COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000445164649 869251510 /nfs/dbraw/zinc/25/15/10/869251510.db2.gz VVZOUWBOJYPFLG-CTNGQTDRSA-N -1 1 419.437 4.075 20 5 HIBDMM CC(=O)c1cc(F)c([N-]C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(F)c1F ZINC000461103590 874023430 /nfs/dbraw/zinc/02/34/30/874023430.db2.gz OGUBPKRDXOUKGU-UHFFFAOYSA-N -1 1 406.238 4.486 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)c2ncccc12 ZINC000463531969 876610035 /nfs/dbraw/zinc/61/00/35/876610035.db2.gz LMTHWFUASXJCHQ-UHFFFAOYSA-N -1 1 415.324 4.102 20 5 HIBDMM CCC(C)(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000465052168 878413821 /nfs/dbraw/zinc/41/38/21/878413821.db2.gz HNHZJWVVMXSVHL-UHFFFAOYSA-N -1 1 419.503 4.469 20 5 HIBDMM O=C([N-]c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1cc(-c2ccccn2)no1 ZINC000474265613 889127381 /nfs/dbraw/zinc/12/73/81/889127381.db2.gz KNZYMICZRHFMEB-UHFFFAOYSA-N -1 1 414.377 4.128 20 5 HIBDMM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000479451611 894770681 /nfs/dbraw/zinc/77/06/81/894770681.db2.gz GBJCDNNJIWGAAR-UHFFFAOYSA-N -1 1 411.867 4.096 20 5 HIBDMM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2)cc(Br)cc1[N+](=O)[O-] ZINC000485398735 900696305 /nfs/dbraw/zinc/69/63/05/900696305.db2.gz MAXUGMNPTSELMI-UHFFFAOYSA-N -1 1 405.657 4.120 20 5 HIBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000488229334 902706677 /nfs/dbraw/zinc/70/66/77/902706677.db2.gz HNQYOCGLUHIPTI-UHFFFAOYSA-N -1 1 416.430 4.134 20 5 HIBDMM O=C([N-]c1n[nH]c(-c2cccc(C(F)(F)F)c2)n1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000490612635 904135483 /nfs/dbraw/zinc/13/54/83/904135483.db2.gz VGHZWNNHVDVLCL-UHFFFAOYSA-N -1 1 417.303 4.397 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3ccc4ccccc4c3)n[nH]2)s1 ZINC000493280979 905077509 /nfs/dbraw/zinc/07/75/09/905077509.db2.gz NGGHKISGQYDUFY-UHFFFAOYSA-N -1 1 400.441 4.000 20 5 HIBDMM COc1ccc(-c2nnc([N-]C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)s2)cc1 ZINC000493638859 905179736 /nfs/dbraw/zinc/17/97/36/905179736.db2.gz XCTYHIIYQRAPLG-UHFFFAOYSA-N -1 1 424.360 4.393 20 5 HIBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(NC(=O)c2cccs2)cc1 ZINC000501790639 910842932 /nfs/dbraw/zinc/84/29/32/910842932.db2.gz DMQSLCORPYTGTK-UHFFFAOYSA-N -1 1 417.468 4.018 20 5 HIBDMM Cc1ccc(-c2cncc(F)c2)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000509388757 918054681 /nfs/dbraw/zinc/05/46/81/918054681.db2.gz RGCSBZYMUVIVIP-UHFFFAOYSA-N -1 1 401.419 4.214 20 5 HIBDMM C[C@@H](Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])c1ccncc1F ZINC000509436916 918093436 /nfs/dbraw/zinc/09/34/36/918093436.db2.gz FNVOQZNYOAEXRQ-CYBMUJFWSA-N -1 1 416.434 4.103 20 5 HIBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000509677478 918309920 /nfs/dbraw/zinc/30/99/20/918309920.db2.gz BFXMOHOUGRFQOW-GXFFZTMASA-N -1 1 420.796 4.101 20 5 HIBDMM Cc1sc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])nc1-c1ccc(Cl)cc1 ZINC000511941248 920695105 /nfs/dbraw/zinc/69/51/05/920695105.db2.gz LJSCOGPLIVQZLE-UHFFFAOYSA-N -1 1 423.903 4.159 20 5 HIBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(Cl)c1 ZINC000520770007 928808923 /nfs/dbraw/zinc/80/89/23/928808923.db2.gz VPDBILIHZUXWAE-UHFFFAOYSA-N -1 1 406.794 4.213 20 5 HIBDMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)c1C ZINC000521415086 929210883 /nfs/dbraw/zinc/21/08/83/929210883.db2.gz BUQWJIFIISUURI-UHFFFAOYSA-N -1 1 405.476 4.005 20 5 HIBDMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000534692342 932663587 /nfs/dbraw/zinc/66/35/87/932663587.db2.gz PPFDAQZRUGAWJJ-UHFFFAOYSA-N -1 1 407.835 4.321 20 5 HIBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C(C)(C)C)c2)c1 ZINC000543657981 940152399 /nfs/dbraw/zinc/15/23/99/940152399.db2.gz SAZJJSGLAHFCGA-HHHXNRCGSA-N -1 1 424.544 4.060 20 5 HIBDMM O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000552409361 941661377 /nfs/dbraw/zinc/66/13/77/941661377.db2.gz ZPKVHHQHLDUZGV-UHFFFAOYSA-N -1 1 416.262 4.083 20 5 HIBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000559144141 943853559 /nfs/dbraw/zinc/85/35/59/943853559.db2.gz GNDYNFQDOBCRMS-CQSZACIVSA-N -1 1 414.849 4.383 20 5 HIBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000559740912 944042359 /nfs/dbraw/zinc/04/23/59/944042359.db2.gz UYSOBLBJQRQWRW-UHFFFAOYSA-N -1 1 420.796 4.235 20 5 HIBDMM CCCCCc1nnc([N-]C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])s1 ZINC000042219586 848303492 /nfs/dbraw/zinc/30/34/92/848303492.db2.gz AFGQCVMFWWQIEP-UHFFFAOYSA-N -1 1 418.397 4.372 20 5 HIBDMM CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)n1 ZINC000436819051 862004064 /nfs/dbraw/zinc/00/40/64/862004064.db2.gz MISVQFNBCKOERB-UHFFFAOYSA-N -1 1 409.427 4.046 20 5 HIBDMM COc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1[N-]S(C)(=O)=O ZINC000108081616 852821111 /nfs/dbraw/zinc/82/11/11/852821111.db2.gz IHIFZTSJQILTBN-UHFFFAOYSA-N -1 1 421.478 4.020 20 5 HIBDMM O=[N+]([O-])c1cc(F)c(Oc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(F)c1 ZINC000301791743 854466885 /nfs/dbraw/zinc/46/68/85/854466885.db2.gz OFIPRLHXCFMXCW-UHFFFAOYSA-N -1 1 406.366 4.466 20 5 HIBDMM Cc1ccc([C@H]2OCCC[C@H]2C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000437696157 863033377 /nfs/dbraw/zinc/03/33/77/863033377.db2.gz KHENLSQNLSVCTM-MAUKXSAKSA-N -1 1 424.906 4.003 20 5 HIBDMM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000433172153 859552916 /nfs/dbraw/zinc/55/29/16/859552916.db2.gz GNHIYIVGXLUGBZ-UHFFFAOYSA-N -1 1 423.647 4.259 20 5 HIBDMM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1cc(-c2ccccc2)n[nH]1 ZINC000434969652 860580393 /nfs/dbraw/zinc/58/03/93/860580393.db2.gz SBSLBJKFEORETM-UHFFFAOYSA-N -1 1 413.242 4.093 20 5 HIBDMM COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)[N-]c2nc(SC)ns2)cc1 ZINC000440070744 865338657 /nfs/dbraw/zinc/33/86/57/865338657.db2.gz BDXSWVGUJBETPL-UHFFFAOYSA-N -1 1 418.456 4.221 20 5 HIBDMM COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])cc1SC ZINC000442929043 867745475 /nfs/dbraw/zinc/74/54/75/867745475.db2.gz QORUSALOIXZENQ-UHFFFAOYSA-N -1 1 418.349 4.182 20 5 HIBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(Sc3ncco3)c([N+](=O)[O-])c2)c(C)c1 ZINC000444879252 869073369 /nfs/dbraw/zinc/07/33/69/869073369.db2.gz XKABDEQNEKGQTH-UHFFFAOYSA-N -1 1 405.457 4.152 20 5 HIBDMM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463736225 876856826 /nfs/dbraw/zinc/85/68/26/876856826.db2.gz ABWHUPQZTZMXLO-UHFFFAOYSA-N -1 1 411.727 4.304 20 5 HIBDMM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c(Cl)c1 ZINC000466518833 880295243 /nfs/dbraw/zinc/29/52/43/880295243.db2.gz NJLHDPAGGHVFCP-UHFFFAOYSA-N -1 1 401.680 4.095 20 5 HIBDMM CC[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000466867983 880635962 /nfs/dbraw/zinc/63/59/62/880635962.db2.gz ZZIZBXOORAIBKI-JTQLQIEISA-N -1 1 423.438 4.117 20 5 HIBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000474214272 889053955 /nfs/dbraw/zinc/05/39/55/889053955.db2.gz RDTJIJUGQIQZQI-CYBMUJFWSA-N -1 1 417.874 4.350 20 5 HIBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(SC[C@H]3CCCO3)c([N+](=O)[O-])c2)c(C)c1 ZINC000497346565 906843944 /nfs/dbraw/zinc/84/39/44/906843944.db2.gz DRZWOLQKIBCEGE-OAHLLOKOSA-N -1 1 422.528 4.284 20 5 HIBDMM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3cccs3)ns2)cc1SC ZINC000497975141 907448085 /nfs/dbraw/zinc/44/80/85/907448085.db2.gz DZDXTUWWHICRRG-UHFFFAOYSA-N -1 1 408.486 4.158 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCOc3c(-c4ccccc4)cccc32)s1 ZINC000509746053 918363464 /nfs/dbraw/zinc/36/34/64/918363464.db2.gz MLSOGJGONBVOJI-INIZCTEOSA-N -1 1 416.480 4.125 20 5 HIBDMM CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000512130353 920879341 /nfs/dbraw/zinc/87/93/41/920879341.db2.gz ZTQFUSARHWPFTN-UHFFFAOYSA-N -1 1 423.269 4.005 20 5 HIBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(=O)c2cccs2)cc1 ZINC000029406677 847559375 /nfs/dbraw/zinc/55/93/75/847559375.db2.gz SASIVGIPUIZOOJ-UHFFFAOYSA-N -1 1 417.468 4.018 20 5 HIBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-c2cn3ccsc3n2)cc1 ZINC000030529944 847729141 /nfs/dbraw/zinc/72/91/41/847729141.db2.gz DMMZQERWPVXIQU-UHFFFAOYSA-N -1 1 414.468 4.080 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2)c(Cl)c1 ZINC000056127884 850247837 /nfs/dbraw/zinc/24/78/37/850247837.db2.gz CZUXWAWVVWYQGX-CYBMUJFWSA-N -1 1 408.785 4.220 20 5 HIBDMM Cc1cnc([C@@H](C)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])s1 ZINC000301542198 854417182 /nfs/dbraw/zinc/41/71/82/854417182.db2.gz KCSSFUAGCDFYOX-CYBMUJFWSA-N -1 1 418.500 4.334 20 5 HIBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C[S@](=O)C(C)(C)C)c2)c1C ZINC000303676829 855126459 /nfs/dbraw/zinc/12/64/59/855126459.db2.gz JBKPUEJVHNKQIX-MHZLTWQESA-N -1 1 424.544 4.060 20 5 HIBDMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1Br ZINC000388884490 855448990 /nfs/dbraw/zinc/44/89/90/855448990.db2.gz REJAHNAUFKISBP-UHFFFAOYSA-N -1 1 405.657 4.120 20 5 HIBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2C)c1C ZINC000392109976 855463245 /nfs/dbraw/zinc/46/32/45/855463245.db2.gz MQGXTWVRVZHKBY-UHFFFAOYSA-N -1 1 413.293 4.392 20 5 HIBDMM CCOC(=O)c1sc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])cc1C ZINC000447167730 871061517 /nfs/dbraw/zinc/06/15/17/871061517.db2.gz JPTKNWNOBKQBAV-UHFFFAOYSA-N -1 1 419.278 4.218 20 5 HIBDMM Cc1c(=O)[n-]c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc1-c1ccccc1 ZINC000467195182 880925313 /nfs/dbraw/zinc/92/53/13/880925313.db2.gz GFLPGCFDELUFMV-UHFFFAOYSA-N -1 1 421.438 4.408 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCCC(F)(F)C2)c(C(F)(F)F)c1 ZINC000489986617 903714683 /nfs/dbraw/zinc/71/46/83/903714683.db2.gz UZHIAVLFJALIKN-JTQLQIEISA-N -1 1 416.368 4.108 20 5 HIBDMM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000490377375 903970062 /nfs/dbraw/zinc/97/00/62/903970062.db2.gz ZCZLYLOBCFUNJB-GQCTYLIASA-N -1 1 410.333 4.481 20 5 HIBDMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1NC(=O)C(C)(C)C ZINC000491605212 904672863 /nfs/dbraw/zinc/67/28/63/904672863.db2.gz TTXSVWMQFGIVGT-UHFFFAOYSA-N -1 1 419.503 4.305 20 5 HIBDMM Cc1ccc(Sc2ccc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)cc2[N+](=O)[O-])cc1 ZINC000497501659 906988578 /nfs/dbraw/zinc/98/85/78/906988578.db2.gz ZYGZXACFRZWWMY-UHFFFAOYSA-N -1 1 423.376 4.444 20 5 HIBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(c1ccccc1)c1ccccc1 ZINC000512758540 921302562 /nfs/dbraw/zinc/30/25/62/921302562.db2.gz HKDRBQBLXFJLPG-CQSZACIVSA-N -1 1 402.497 4.155 20 5 HIBDMM COC(=O)c1cc([N-]C(=O)c2cc(-c3ccc(Cl)s3)on2)cc([N+](=O)[O-])c1 ZINC000516602086 923810090 /nfs/dbraw/zinc/81/00/90/923810090.db2.gz YPWCKTVIEUAVOP-UHFFFAOYSA-N -1 1 407.791 4.004 20 5 HIBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(COCc2ccccc2)cc1 ZINC000525525673 930302739 /nfs/dbraw/zinc/30/27/39/930302739.db2.gz WMJAGPFNVDDVSI-UHFFFAOYSA-N -1 1 412.467 4.421 20 5 HIBDMM O=C(Nc1cc(Br)ccc1[O-])c1ccc([N+](=O)[O-])cc1Br ZINC000530777174 930820974 /nfs/dbraw/zinc/82/09/74/930820974.db2.gz WZQYSGQIRQNSIM-UHFFFAOYSA-N -1 1 416.025 4.078 20 5 HIBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1CCC[C@@H]1c1ccccn1 ZINC000530908664 930856287 /nfs/dbraw/zinc/85/62/87/930856287.db2.gz CFXWBSNYPZJVNT-LJQANCHMSA-N -1 1 424.482 4.132 20 5 HIBDMM O=C([N-]c1nnc(SCc2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cn1 ZINC000531634360 931133770 /nfs/dbraw/zinc/13/37/70/931133770.db2.gz VDERBOHAFHVRKJ-UHFFFAOYSA-N -1 1 407.864 4.039 20 5 HIBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000539557353 938879574 /nfs/dbraw/zinc/87/95/74/938879574.db2.gz PBHVFMGVWLOYIU-HIFRSBDPSA-N -1 1 417.487 4.079 20 5 HIBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(SCc3cccnc3)cc2)c1 ZINC000557693962 943261065 /nfs/dbraw/zinc/26/10/65/943261065.db2.gz WPCVNMPAMOGMLJ-UHFFFAOYSA-N -1 1 401.469 4.083 20 5 HIBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(-c3cc(F)ccc3C)s2)c1 ZINC000558797475 943667631 /nfs/dbraw/zinc/66/76/31/943667631.db2.gz RQWIEBXPVRSXEZ-UHFFFAOYSA-N -1 1 402.407 4.212 20 5 HIBDMM Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2Cl)c([N+](=O)[O-])c1 ZINC000436019178 861309368 /nfs/dbraw/zinc/30/93/68/861309368.db2.gz MJLCVOKGNNHULZ-UHFFFAOYSA-N -1 1 419.684 4.428 20 5 HIBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C3SCCS3)c2)c1C ZINC000015246322 846022841 /nfs/dbraw/zinc/02/28/41/846022841.db2.gz ZVUFUBUUSTYXEJ-UHFFFAOYSA-N -1 1 410.542 4.491 20 5 HIBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCCCOC1CCCC1 ZINC000060863768 851234925 /nfs/dbraw/zinc/23/49/25/851234925.db2.gz BDZAEFJDDDJNQZ-UHFFFAOYSA-N -1 1 419.503 4.157 20 5 HIBDMM Cc1csc([C@H](C)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])n1 ZINC000301147792 854311993 /nfs/dbraw/zinc/31/19/93/854311993.db2.gz HQSFRVSZWKPBBH-ZDUSSCGKSA-N -1 1 418.500 4.334 20 5 HIBDMM O=[N+]([O-])c1cnc(NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000301288298 854348730 /nfs/dbraw/zinc/34/87/30/854348730.db2.gz RTGXHPABSWHBBL-UHFFFAOYSA-N -1 1 418.862 4.056 20 5 HIBDMM Cc1coc(Sc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])n1 ZINC000302735743 854616676 /nfs/dbraw/zinc/61/66/76/854616676.db2.gz WOVBKLWNSCTQOF-UHFFFAOYSA-N -1 1 419.484 4.460 20 5 HIBDMM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(C(C)C)c([N+](=O)[O-])c2)c1OC ZINC000426826288 856501264 /nfs/dbraw/zinc/50/12/64/856501264.db2.gz DOAGDYOMGHIVRG-KRWDZBQOSA-N -1 1 402.447 4.041 20 5 HIBDMM O=C(Nc1cc([O-])c(Br)cc1Br)c1ccccc1[N+](=O)[O-] ZINC000431450344 858621882 /nfs/dbraw/zinc/62/18/82/858621882.db2.gz QGZVDLMDSODOFT-UHFFFAOYSA-N -1 1 416.025 4.078 20 5 HIBDMM Cc1sc(S(=O)(=O)[N-]c2cc3c(cc2Br)CCC3)cc1[N+](=O)[O-] ZINC000435737966 861018472 /nfs/dbraw/zinc/01/84/72/861018472.db2.gz NIVQWYVGSFPTSZ-UHFFFAOYSA-N -1 1 417.306 4.017 20 5 HIBDMM CCc1[nH]nc(C(=O)[N-]c2ccccc2SCc2ccccc2OC)c1[N+](=O)[O-] ZINC000444342710 868772303 /nfs/dbraw/zinc/77/23/03/868772303.db2.gz PLQGBVILMZJJIJ-UHFFFAOYSA-N -1 1 412.471 4.434 20 5 HIBDMM Cc1cc(NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000461766824 874898998 /nfs/dbraw/zinc/89/89/98/874898998.db2.gz JJDPLVPMQKPTCT-UHFFFAOYSA-N -1 1 415.446 4.455 20 5 HIBDMM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1c(F)cc(C(F)(F)F)cc1F ZINC000463284890 876342807 /nfs/dbraw/zinc/34/28/07/876342807.db2.gz RCLBMQDEGRLZHO-UHFFFAOYSA-N -1 1 418.274 4.305 20 5 HIBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000466867984 880635924 /nfs/dbraw/zinc/63/59/24/880635924.db2.gz ZZIZBXOORAIBKI-SNVBAGLBSA-N -1 1 423.438 4.117 20 5 HIBDMM Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000467209105 880938035 /nfs/dbraw/zinc/93/80/35/880938035.db2.gz WAAOFYFKUWITJX-UHFFFAOYSA-N -1 1 410.455 4.105 20 5 HIBDMM O=C(Nc1cccc([N+](=O)[O-])c1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469167471 883265314 /nfs/dbraw/zinc/26/53/14/883265314.db2.gz OFWMILJSWUVRIQ-UHFFFAOYSA-N -1 1 422.622 4.105 20 5 HIBDMM Cc1csc(Oc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)cc2F)n1 ZINC000470265564 884615068 /nfs/dbraw/zinc/61/50/68/884615068.db2.gz VSGPVIJCZHKUJZ-UHFFFAOYSA-N -1 1 423.447 4.400 20 5 HIBDMM CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000481574368 896953963 /nfs/dbraw/zinc/95/39/63/896953963.db2.gz OIPMGKWGSZPSKH-UHFFFAOYSA-N -1 1 406.411 4.466 20 5 HIBDMM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000481585248 896964985 /nfs/dbraw/zinc/96/49/85/896964985.db2.gz MMHSMIDGXODDNO-UHFFFAOYSA-N -1 1 417.219 4.014 20 5 HIBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000481966293 897356457 /nfs/dbraw/zinc/35/64/57/897356457.db2.gz VYTRZRVBIDSLLL-HHHXNRCGSA-N -1 1 424.544 4.060 20 5 HIBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NC[C@H]1CCC(F)(F)C1 ZINC000485399459 900697826 /nfs/dbraw/zinc/69/78/26/900697826.db2.gz CNJIBMWIOOWOPX-ZDUSSCGKSA-N -1 1 411.430 4.243 20 5 HIBDMM COc1cc(C(=O)[N-]c2c(F)cccc2F)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000512808367 921315698 /nfs/dbraw/zinc/31/56/98/921315698.db2.gz PBERCHOFQNUTAC-UHFFFAOYSA-N -1 1 421.381 4.169 20 5 HIBDMM Cc1cccc([C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccn2)c1 ZINC000497984009 907461246 /nfs/dbraw/zinc/46/12/46/907461246.db2.gz OXOONMHUGHOFCM-LJQANCHMSA-N -1 1 417.874 4.020 20 5 HIBDMM COc1c(Cl)cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1Cl ZINC000509535199 918183266 /nfs/dbraw/zinc/18/32/66/918183266.db2.gz CHPFAZHYFRWYDR-UHFFFAOYSA-N -1 1 405.259 4.328 20 5 HIBDMM COc1cc(-c2noc([C@H](C)c3cccc([N+](=O)[O-])c3)n2)cc(Br)c1[O-] ZINC000519031542 927707726 /nfs/dbraw/zinc/70/77/26/927707726.db2.gz NOBHRDQYMUXHKP-SECBINFHSA-N -1 1 420.219 4.273 20 5 HIBDMM COc1ccc(-c2nnc([N-]C(=O)c3cc(SC)ccc3[N+](=O)[O-])s2)cc1 ZINC000535685551 933341250 /nfs/dbraw/zinc/34/12/50/933341250.db2.gz KHTYGCJOUIDIJD-UHFFFAOYSA-N -1 1 402.457 4.096 20 5 HIBDMM O=c1[nH]c(-c2ccc(I)c([O-])c2)nc2cc3ccccc3cc12 ZINC000538430564 938618463 /nfs/dbraw/zinc/61/84/63/938618463.db2.gz KRYVACRDDTWYEZ-UHFFFAOYSA-N -1 1 414.202 4.466 20 5 HIBDMM COc1ccc(-c2nsc([N-]C(=O)c3cccc(SC)c3[N+](=O)[O-])n2)cc1 ZINC000548272599 941092979 /nfs/dbraw/zinc/09/29/79/941092979.db2.gz UVJXRMKLVGXGRO-UHFFFAOYSA-N -1 1 402.457 4.096 20 5 HIBDMM COc1ccc(C[C@@H](NCc2cc([O-])ccc2[N+](=O)[O-])c2ccccc2)cc1OC ZINC000549928255 941241046 /nfs/dbraw/zinc/24/10/46/941241046.db2.gz LNYIVHMSFBPEOZ-HXUWFJFHSA-N -1 1 408.454 4.391 20 5 HIBDMM C[C@H]1C[C@@H](CCNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CCO1 ZINC000554739309 942217170 /nfs/dbraw/zinc/21/71/70/942217170.db2.gz XBAXQMWZRNBICG-HOTGVXAUSA-N -1 1 419.503 4.013 20 5 HIBDMM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2ccc3nc(C(F)F)sc3c2)s1 ZINC000557765014 943284375 /nfs/dbraw/zinc/28/43/75/943284375.db2.gz LGBYWGDEHYUDPI-UHFFFAOYSA-N -1 1 405.429 4.351 20 5 HIBDMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)cc2)n1 ZINC000029403763 847558909 /nfs/dbraw/zinc/55/89/09/847558909.db2.gz ZUNDXEFPLTVHLE-UHFFFAOYSA-N -1 1 420.878 4.160 20 5 HIBDMM COC(=O)c1ccc([O-])c(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1 ZINC000436510274 861830320 /nfs/dbraw/zinc/83/03/20/861830320.db2.gz UCLSWMGYVUNIPX-UHFFFAOYSA-N -1 1 424.434 4.491 20 5 HIBDMM O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436872448 862050481 /nfs/dbraw/zinc/05/04/81/862050481.db2.gz WPDULDWLVLXJMX-UHFFFAOYSA-N -1 1 401.382 4.005 20 5 HIBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(COCc2ccco2)c1 ZINC000055633123 850084843 /nfs/dbraw/zinc/08/48/43/850084843.db2.gz OTLWTWVMNOZFFX-UHFFFAOYSA-N -1 1 402.428 4.014 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)c2cccc(Cl)c2)s1 ZINC000066000864 852351287 /nfs/dbraw/zinc/35/12/87/852351287.db2.gz CTCLHOVUZQTGLD-QGZVFWFLSA-N -1 1 408.888 4.378 20 5 HIBDMM Cc1noc(C)c1[C@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000301293447 854349855 /nfs/dbraw/zinc/34/98/55/854349855.db2.gz RAXLBBZLHKETMN-LBPRGKRZSA-N -1 1 416.459 4.174 20 5 HIBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(Cl)cc1Br ZINC000317886604 855382229 /nfs/dbraw/zinc/38/22/29/855382229.db2.gz OAYGELNPOGEEMO-UHFFFAOYSA-N -1 1 405.657 4.120 20 5 HIBDMM COc1cccc(Cc2nnc([N-]C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)s2)c1 ZINC000410296822 855912399 /nfs/dbraw/zinc/91/23/99/855912399.db2.gz NJOOSPRZQDVCLJ-UHFFFAOYSA-N -1 1 410.411 4.044 20 5 HIBDMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(C(C)C)c([N+](=O)[O-])c2)c1OC ZINC000426826289 856500698 /nfs/dbraw/zinc/50/06/98/856500698.db2.gz DOAGDYOMGHIVRG-QGZVFWFLSA-N -1 1 402.447 4.041 20 5 HIBDMM COC1CCC(CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000426894419 856530179 /nfs/dbraw/zinc/53/01/79/856530179.db2.gz BJDYZULSQRCKFC-UHFFFAOYSA-N -1 1 419.503 4.013 20 5 HIBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc([C@@H]2CCCc3ccccc32)s1 ZINC000432577256 859235414 /nfs/dbraw/zinc/23/54/14/859235414.db2.gz YISRUXSYFVKBNE-OAHLLOKOSA-N -1 1 410.455 4.175 20 5 HIBDMM COc1cccc(C(=O)[N-]c2nc(Sc3ccc(C)cc3)ns2)c1[N+](=O)[O-] ZINC000444796982 869012931 /nfs/dbraw/zinc/01/29/31/869012931.db2.gz CMHHRFRENWXPQC-UHFFFAOYSA-N -1 1 402.457 4.167 20 5 HIBDMM C[C@@H]1CCc2nc([N-]C(=O)c3sc(Br)cc3[N+](=O)[O-])sc2C1 ZINC000444825128 869033919 /nfs/dbraw/zinc/03/39/19/869033919.db2.gz KJFHLJZLSTWAIP-ZCFIWIBFSA-N -1 1 402.295 4.252 20 5 HIBDMM Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445024757 869173420 /nfs/dbraw/zinc/17/34/20/869173420.db2.gz XOZWCEVENITOKS-CYBMUJFWSA-N -1 1 412.471 4.269 20 5 HIBDMM COc1cc(-c2noc(/C=C/c3cccc([N+](=O)[O-])c3)n2)cc(Br)c1[O-] ZINC000445394721 869480102 /nfs/dbraw/zinc/48/01/02/869480102.db2.gz RQVCOZMGSGPDTL-AATRIKPKSA-N -1 1 418.203 4.292 20 5 HIBDMM Cc1nn(Cc2ccc(-c3nc(-c4ccc([O-])c(F)c4)no3)cc2)c(C)c1[N+](=O)[O-] ZINC000445483497 869554467 /nfs/dbraw/zinc/55/44/67/869554467.db2.gz WKFHDLDYSYHISZ-UHFFFAOYSA-N -1 1 409.377 4.018 20 5 HIBDMM Cc1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)ccc1OC(C)C ZINC000462361292 875475042 /nfs/dbraw/zinc/47/50/42/875475042.db2.gz SBGUBULPHPTYTH-UHFFFAOYSA-N -1 1 401.444 4.039 20 5 HIBDMM C[C@@H](CC(F)(F)F)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000463745774 876868994 /nfs/dbraw/zinc/86/89/94/876868994.db2.gz LXQPDAUIVNDTLH-NSHDSACASA-N -1 1 403.382 4.148 20 5 HIBDMM Cc1c(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000467204140 880934165 /nfs/dbraw/zinc/93/41/65/880934165.db2.gz BEDWPXCVWATXPL-ZDUSSCGKSA-N -1 1 410.455 4.185 20 5 HIBDMM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000475828741 890762336 /nfs/dbraw/zinc/76/23/36/890762336.db2.gz HHNYLJSMOHVCIE-UHFFFAOYSA-N -1 1 403.243 4.295 20 5 HIBDMM CC[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000481025380 896354752 /nfs/dbraw/zinc/35/47/52/896354752.db2.gz PWEAHTRRWYSRJC-SNVBAGLBSA-N -1 1 423.438 4.117 20 5 HIBDMM Cc1ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1NC(=O)C(C)(C)C ZINC000481944662 897331011 /nfs/dbraw/zinc/33/10/11/897331011.db2.gz HPYKCDJAQUCCEQ-UHFFFAOYSA-N -1 1 419.503 4.305 20 5 HIBDMM Cc1cc(Br)c([O-])c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000482531788 898119537 /nfs/dbraw/zinc/11/95/37/898119537.db2.gz JMOFXXNSAOCCOC-UHFFFAOYSA-N -1 1 404.220 4.034 20 5 HIBDMM O=C([N-]c1cc2c(cc1Cl)CCC2=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486109923 901296100 /nfs/dbraw/zinc/29/61/00/901296100.db2.gz LMVMGWFFQQOTAT-UHFFFAOYSA-N -1 1 415.652 4.453 20 5 HIBDMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000497570191 907056970 /nfs/dbraw/zinc/05/69/70/907056970.db2.gz AOGSPDSQRSHQCS-UHFFFAOYSA-N -1 1 407.411 4.066 20 5 HIBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(Br)cc1Cl ZINC000500467324 909874198 /nfs/dbraw/zinc/87/41/98/909874198.db2.gz FYDVYVLLTLGCPB-UHFFFAOYSA-N -1 1 405.657 4.120 20 5 HIBDMM O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000509825727 918427335 /nfs/dbraw/zinc/42/73/35/918427335.db2.gz PADREGGSQVMCKR-UHFFFAOYSA-N -1 1 401.382 4.005 20 5 HIBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(COC3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000520699961 928747002 /nfs/dbraw/zinc/74/70/02/928747002.db2.gz ODHSPMRKLAXVDZ-UHFFFAOYSA-N -1 1 420.487 4.254 20 5 HIBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000539557352 938879479 /nfs/dbraw/zinc/87/94/79/938879479.db2.gz PBHVFMGVWLOYIU-DZGCQCFKSA-N -1 1 417.487 4.079 20 5 HIBDMM O=[N+]([O-])c1cccc2ncnc(Oc3cccc([N-]S(=O)(=O)c4ccccc4)c3)c21 ZINC000544393411 940410330 /nfs/dbraw/zinc/41/03/30/940410330.db2.gz NJAFEVQJUJTZRM-UHFFFAOYSA-N -1 1 422.422 4.131 20 5 HIBDMM CC(C)(C)OCc1cccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000548979153 941138299 /nfs/dbraw/zinc/13/82/99/941138299.db2.gz ULYDGCBFXFMICR-UHFFFAOYSA-N -1 1 412.895 4.042 20 5 HIBDMM CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000551055594 941401770 /nfs/dbraw/zinc/40/17/70/941401770.db2.gz OTBFULPNUFHYAR-INIZCTEOSA-N -1 1 412.364 4.318 20 5 HIBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000006316089 845188906 /nfs/dbraw/zinc/18/89/06/845188906.db2.gz YVTYEHFVFGWACZ-UHFFFAOYSA-N -1 1 400.412 4.197 20 5 HIBDMM CN(Cc1ccsc1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000007230232 845290180 /nfs/dbraw/zinc/29/01/80/845290180.db2.gz YAKPCFVIQVKNHB-UHFFFAOYSA-N -1 1 403.485 4.094 20 5 HIBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3cccs3)c2)cc1[N+](=O)[O-] ZINC000024103313 846789850 /nfs/dbraw/zinc/78/98/50/846789850.db2.gz TXXILQWQLHJOOA-UHFFFAOYSA-N -1 1 417.468 4.018 20 5 HIBDMM O=C([N-]c1n[nH]c(-c2ccccc2Br)n1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000028899655 847475354 /nfs/dbraw/zinc/47/53/54/847475354.db2.gz VUKWPSHYQJAFOE-UHFFFAOYSA-N -1 1 422.626 4.048 20 5 HIBDMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000436749745 861932143 /nfs/dbraw/zinc/93/21/43/861932143.db2.gz BXIILFPJBUSFSA-UHFFFAOYSA-N -1 1 410.348 4.003 20 5 HIBDMM CCOc1cc(-c2noc(-c3ccccc3[N+](=O)[O-])n2)cc(Br)c1[O-] ZINC000436913164 862091652 /nfs/dbraw/zinc/09/16/52/862091652.db2.gz ZSBUJAFCZAALGV-UHFFFAOYSA-N -1 1 406.192 4.179 20 5 HIBDMM Cc1noc(C)c1[C@@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000301293446 854349684 /nfs/dbraw/zinc/34/96/84/854349684.db2.gz RAXLBBZLHKETMN-GFCCVEGCSA-N -1 1 416.459 4.174 20 5 HIBDMM COc1cccc(Cc2nnc([N-]C(=O)c3cc(SC)ccc3[N+](=O)[O-])s2)c1 ZINC000410296098 855912813 /nfs/dbraw/zinc/91/28/13/855912813.db2.gz HVVOZEGHUAJTCA-UHFFFAOYSA-N -1 1 416.484 4.020 20 5 HIBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(NC(=O)C2CCCCC2)c1 ZINC000425983187 856029822 /nfs/dbraw/zinc/02/98/22/856029822.db2.gz BCRIGCMSMIHYEG-UHFFFAOYSA-N -1 1 417.487 4.223 20 5 HIBDMM O=C([O-])Cc1ccccc1CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000426690963 856415140 /nfs/dbraw/zinc/41/51/40/856415140.db2.gz FDCUWGOQMGPAMG-UHFFFAOYSA-N -1 1 410.401 4.443 20 5 HIBDMM COc1cc(CNCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000426691612 856415292 /nfs/dbraw/zinc/41/52/92/856415292.db2.gz JMEWRAUYEBTXMT-UHFFFAOYSA-N -1 1 422.437 4.170 20 5 HIBDMM COc1ccc(-c2ccc(CN[C@@H](Cc3cc(C)cc(C)c3)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000426771165 856468848 /nfs/dbraw/zinc/46/88/48/856468848.db2.gz ZHOGCHYSGZBDHY-FQEVSTJZSA-N -1 1 424.453 4.266 20 5 HIBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc(-c2c(F)cccc2Cl)s1 ZINC000427320632 856769664 /nfs/dbraw/zinc/76/96/64/856769664.db2.gz MROHTWPSHXTLSN-UHFFFAOYSA-N -1 1 408.798 4.167 20 5 HIBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccc(-c2ccc(Cl)s2)cn1 ZINC000433129403 859531930 /nfs/dbraw/zinc/53/19/30/859531930.db2.gz NUWAKWZITXBSTE-UHFFFAOYSA-N -1 1 423.903 4.356 20 5 HIBDMM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)s1 ZINC000441570846 866654727 /nfs/dbraw/zinc/65/47/27/866654727.db2.gz KPSFIRNNBVNVBX-UHFFFAOYSA-N -1 1 422.426 4.189 20 5 HIBDMM Cc1c(=O)[n-]c(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000460430561 873094715 /nfs/dbraw/zinc/09/47/15/873094715.db2.gz UNFPLXWYJMLTFW-ZDUSSCGKSA-N -1 1 410.455 4.185 20 5 HIBDMM Cc1c(=O)[n-]c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)nc1-c1ccccc1 ZINC000460450378 873123254 /nfs/dbraw/zinc/12/32/54/873123254.db2.gz RQXYUIOCNYWODC-UHFFFAOYSA-N -1 1 421.438 4.408 20 5 HIBDMM CCOc1cc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)c([N+](=O)[O-])cc1OC ZINC000504566504 913337238 /nfs/dbraw/zinc/33/72/38/913337238.db2.gz SQBKRAMUXAEVBG-UHFFFAOYSA-N -1 1 420.491 4.229 20 5 HIBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2c(F)cccc2Cl)s1 ZINC000478769114 894045748 /nfs/dbraw/zinc/04/57/48/894045748.db2.gz IFECXNJEZPVWIG-UHFFFAOYSA-N -1 1 408.798 4.167 20 5 HIBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1cc(Br)c(F)cc1C ZINC000479113881 894382540 /nfs/dbraw/zinc/38/25/40/894382540.db2.gz GYKDDRFRTIOHIJ-UHFFFAOYSA-N -1 1 417.256 4.222 20 5 HIBDMM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC000480232109 895638502 /nfs/dbraw/zinc/63/85/02/895638502.db2.gz XECGDQSKILHWEB-UHFFFAOYSA-N -1 1 411.867 4.014 20 5 HIBDMM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2cc3c(cc2SC)OCCO3)cc1SC ZINC000483530964 899192081 /nfs/dbraw/zinc/19/20/81/899192081.db2.gz QYSLTUGYCDIQJB-UHFFFAOYSA-N -1 1 422.484 4.071 20 5 HIBDMM Cc1ccc(-c2nsc([N-]C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)n2)s1 ZINC000496353903 906664849 /nfs/dbraw/zinc/66/48/49/906664849.db2.gz ATRCXIFADFTTEL-UHFFFAOYSA-N -1 1 412.399 4.337 20 5 HIBDMM O=C(Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507304978 916067347 /nfs/dbraw/zinc/06/73/47/916067347.db2.gz PWEUAVXIEHTERM-UHFFFAOYSA-N -1 1 401.382 4.005 20 5 HIBDMM O=C(Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507304978 916067367 /nfs/dbraw/zinc/06/73/67/916067367.db2.gz PWEUAVXIEHTERM-UHFFFAOYSA-N -1 1 401.382 4.005 20 5 HIBDMM O=[N+]([O-])c1ccc(Nc2ccccc2)c([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000514653262 922746625 /nfs/dbraw/zinc/74/66/25/922746625.db2.gz LMAGQDOAZKUNIS-UHFFFAOYSA-N -1 1 411.439 4.074 20 5 HIBDMM O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000518320351 927184569 /nfs/dbraw/zinc/18/45/69/927184569.db2.gz PUIFUKNVKUETLP-IBGZPJMESA-N -1 1 404.426 4.153 20 5 HIBDMM CN(C(=O)c1ccncc1)c1ccc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)cc1 ZINC000524560964 929687941 /nfs/dbraw/zinc/68/79/41/929687941.db2.gz IYUFAGBQAMZDPB-UHFFFAOYSA-N -1 1 406.445 4.415 20 5 HIBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)C(C)(C)C)c2)c1 ZINC000544638462 940496474 /nfs/dbraw/zinc/49/64/74/940496474.db2.gz YRXSCHRHTJMVBO-UHFFFAOYSA-N -1 1 419.503 4.305 20 5 HIBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)OC1(CCCCC1)O2 ZINC000030530230 847729287 /nfs/dbraw/zinc/72/92/87/847729287.db2.gz PZCDBZFEKPGGMS-UHFFFAOYSA-N -1 1 404.444 4.136 20 5 HIBDMM CCOc1cc(-c2noc(-c3cc([N+](=O)[O-])ccc3C)n2)cc(Br)c1[O-] ZINC000436767016 861957968 /nfs/dbraw/zinc/95/79/68/861957968.db2.gz FNFWOOLOJBBAAV-UHFFFAOYSA-N -1 1 420.219 4.487 20 5 HIBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(c1ccccc1)c1ccccc1 ZINC000066000254 852350395 /nfs/dbraw/zinc/35/03/95/852350395.db2.gz HKDRBQBLXFJLPG-AWEZNQCLSA-N -1 1 402.497 4.155 20 5 HIBDMM O=[N+]([O-])c1cnc(Oc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(Cl)c1 ZINC000301453737 854398824 /nfs/dbraw/zinc/39/88/24/854398824.db2.gz YFGNEYHWAQUUAU-UHFFFAOYSA-N -1 1 405.819 4.236 20 5 HIBDMM Cc1cnc([C@H](C)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])s1 ZINC000301542199 854416953 /nfs/dbraw/zinc/41/69/53/854416953.db2.gz KCSSFUAGCDFYOX-ZDUSSCGKSA-N -1 1 418.500 4.334 20 5 HIBDMM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000426672783 856406142 /nfs/dbraw/zinc/40/61/42/856406142.db2.gz BYMZOXJCFDMMKF-HXUWFJFHSA-N -1 1 405.410 4.122 20 5 HIBDMM COc1ccccc1[C@@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000426816718 856494864 /nfs/dbraw/zinc/49/48/64/856494864.db2.gz LYSQTGIABDOMDM-JOCHJYFZSA-N -1 1 421.453 4.287 20 5 HIBDMM COC(=O)c1ccc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2Sc2cccs2)o1 ZINC000435442894 860800672 /nfs/dbraw/zinc/80/06/72/860800672.db2.gz KXMRCEJTRGENSS-UHFFFAOYSA-N -1 1 404.425 4.439 20 5 HIBDMM O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444430455 868826417 /nfs/dbraw/zinc/82/64/17/868826417.db2.gz FKELKDCRPVTDQC-LLVKDONJSA-N -1 1 423.269 4.138 20 5 HIBDMM Cc1sc([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nc1-c1ccc(Cl)cc1 ZINC000444999185 869154187 /nfs/dbraw/zinc/15/41/87/869154187.db2.gz URYQKZYZVKFAFN-SECBINFHSA-N -1 1 418.862 4.272 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)c2ncccc12 ZINC000464412048 877616861 /nfs/dbraw/zinc/61/68/61/877616861.db2.gz RWRQLCIRMLYWGR-UHFFFAOYSA-N -1 1 423.454 4.088 20 5 HIBDMM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)s1 ZINC000469898287 884089545 /nfs/dbraw/zinc/08/95/45/884089545.db2.gz PKQIRINPIOTYFE-UHFFFAOYSA-N -1 1 424.360 4.415 20 5 HIBDMM CC[C@@H](Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])C1CCOCC1 ZINC000470867588 885356198 /nfs/dbraw/zinc/35/61/98/885356198.db2.gz XVDBIENLLXQQEG-GOSISDBHSA-N -1 1 419.503 4.013 20 5 HIBDMM Cc1c(CSC(C)C)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000471117797 885654128 /nfs/dbraw/zinc/65/41/28/885654128.db2.gz XJAAQAOODDQPAL-UHFFFAOYSA-N -1 1 424.500 4.044 20 5 HIBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)c1[N+](=O)[O-] ZINC000480198548 895596184 /nfs/dbraw/zinc/59/61/84/895596184.db2.gz IGPOXSUBMIODTH-UHFFFAOYSA-N -1 1 421.219 4.053 20 5 HIBDMM CC(=O)c1ccc(Oc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000484197642 899808919 /nfs/dbraw/zinc/80/89/19/899808919.db2.gz DBUBCIAQKJGMAW-UHFFFAOYSA-N -1 1 412.423 4.391 20 5 HIBDMM Cc1c([N-]S(=O)(=O)C[C@@H](C)c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000485393943 900690438 /nfs/dbraw/zinc/69/04/38/900690438.db2.gz DTCYQTJQYNYUJT-LLVKDONJSA-N -1 1 413.293 4.211 20 5 HIBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@H]1CCCC(F)(F)C1 ZINC000486892341 901935818 /nfs/dbraw/zinc/93/58/18/901935818.db2.gz GRBPECBVENODKT-AWEZNQCLSA-N -1 1 411.430 4.385 20 5 HIBDMM COC(=O)c1cc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)c(C)c([N+](=O)[O-])c1 ZINC000489759246 903583861 /nfs/dbraw/zinc/58/38/61/903583861.db2.gz XVEUVFIURRNZBJ-UHFFFAOYSA-N -1 1 415.789 4.251 20 5 HIBDMM Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)c2)n1 ZINC000491546357 904645591 /nfs/dbraw/zinc/64/55/91/904645591.db2.gz MORXTNVFBGPREY-UHFFFAOYSA-N -1 1 401.444 4.284 20 5 HIBDMM O=C([N-]c1nc(-c2cccs2)ns1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000497981770 907455589 /nfs/dbraw/zinc/45/55/89/907455589.db2.gz JZUMTWXJWCKGHX-UHFFFAOYSA-N -1 1 400.363 4.446 20 5 HIBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cc(F)ccc1SCC(F)F ZINC000499289085 908662711 /nfs/dbraw/zinc/66/27/11/908662711.db2.gz YCCIFZJCNSZFAV-UHFFFAOYSA-N -1 1 420.434 4.076 20 5 HIBDMM CCSc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000507482942 916251787 /nfs/dbraw/zinc/25/17/87/916251787.db2.gz GKEYCCBJDSIHGO-LLVKDONJSA-N -1 1 400.909 4.400 20 5 HIBDMM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000511120381 919734663 /nfs/dbraw/zinc/73/46/63/919734663.db2.gz KHWFGWXNAPMVPS-UHFFFAOYSA-N -1 1 418.258 4.051 20 5 HIBDMM O=C(CC1CCCCC1)Nc1cccc2c1CCCN2C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000521880272 929530098 /nfs/dbraw/zinc/53/00/98/929530098.db2.gz MPQKRFPLWZDVGC-UHFFFAOYSA-N -1 1 410.474 4.425 20 5 HIBDMM Cc1cc(-c2ccccc2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000532110646 931316409 /nfs/dbraw/zinc/31/64/09/931316409.db2.gz BUVUELAHJVGGLV-UHFFFAOYSA-N -1 1 412.423 4.069 20 5 HIBDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000535716686 933367405 /nfs/dbraw/zinc/36/74/05/933367405.db2.gz KXGHGMLUALJOHP-UHFFFAOYSA-N -1 1 409.349 4.135 20 5 HIBDMM Cc1cc(Br)c([O-])c(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000545851097 940635195 /nfs/dbraw/zinc/63/51/95/940635195.db2.gz RZKSXWVGPAVVLV-UHFFFAOYSA-N -1 1 411.227 4.427 20 5 HIBDMM CCOc1cc(C(=O)[N-]c2c(F)cc(Cl)c(C)c2F)c([N+](=O)[O-])cc1OC ZINC000560174890 944186513 /nfs/dbraw/zinc/18/65/13/944186513.db2.gz YLJHAHZHHZGAMS-UHFFFAOYSA-N -1 1 400.765 4.494 20 5 HIBDMM CCOc1cc(C(=O)[N-]c2nnc(C3CCCCC3)s2)c([N+](=O)[O-])cc1OC ZINC000029089144 847503184 /nfs/dbraw/zinc/50/31/84/847503184.db2.gz NXGLHKQSGFHRKM-UHFFFAOYSA-N -1 1 406.464 4.154 20 5 HIBDMM C[C@H](Cc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000303456563 854956542 /nfs/dbraw/zinc/95/65/42/854956542.db2.gz KDQIYXPYUMJUSX-SNVBAGLBSA-N -1 1 422.812 4.177 20 5 HIBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(Cl)ccc1Br ZINC000317842983 855382050 /nfs/dbraw/zinc/38/20/50/855382050.db2.gz ICARBTUZVOAESC-UHFFFAOYSA-N -1 1 405.657 4.120 20 5 HIBDMM COc1ccc(-c2ccc(CN[C@H](CC(=O)[O-])c3ccsc3)o2)c([N+](=O)[O-])c1 ZINC000426692480 856416535 /nfs/dbraw/zinc/41/65/35/856416535.db2.gz SCZUOZMIVIOTAB-MRXNPFEDSA-N -1 1 402.428 4.231 20 5 HIBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc([C@@H]3CCCc4ccccc43)s2)c1 ZINC000432593399 859244871 /nfs/dbraw/zinc/24/48/71/859244871.db2.gz NJFCGJROBHHOER-OAHLLOKOSA-N -1 1 410.455 4.175 20 5 HIBDMM Cc1cc2cc([N-]S(=O)(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000438800791 864292816 /nfs/dbraw/zinc/29/28/16/864292816.db2.gz OONGRHNLPIIXDE-UHFFFAOYSA-N -1 1 424.276 4.256 20 5 HIBDMM CC(C)c1oc([C@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000445020459 869169964 /nfs/dbraw/zinc/16/99/64/869169964.db2.gz OMCLDJUFYMFENH-MRXNPFEDSA-N -1 1 422.441 4.451 20 5 HIBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000445141992 869239052 /nfs/dbraw/zinc/23/90/52/869239052.db2.gz WBJWIZATMXKVGY-LSDHHAIUSA-N -1 1 409.364 4.123 20 5 HIBDMM COc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC[C@@H]3C)cc2C)ccc1[N+](=O)[O-] ZINC000469057377 883130741 /nfs/dbraw/zinc/13/07/41/883130741.db2.gz SQPIBMHVNAUULH-HNNXBMFYSA-N -1 1 419.503 4.091 20 5 HIBDMM Cc1csc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2F)n1 ZINC000470266533 884616726 /nfs/dbraw/zinc/61/67/26/884616726.db2.gz ZNXATCJIIZSZRQ-UHFFFAOYSA-N -1 1 423.447 4.400 20 5 HIBDMM CCOc1cc([N-]C(=O)c2cc(-c3ccc(F)cc3)on2)c([N+](=O)[O-])cc1OCC ZINC000475435976 890355801 /nfs/dbraw/zinc/35/58/01/890355801.db2.gz XOKZQYYPWSCCPK-UHFFFAOYSA-N -1 1 415.377 4.439 20 5 HIBDMM Cc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000480629512 895996802 /nfs/dbraw/zinc/99/68/02/895996802.db2.gz FATNJVCVCJSRMR-LJQANCHMSA-N -1 1 417.874 4.020 20 5 HIBDMM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(-c3ccsc3)s2)cc1SC ZINC000483467778 899108920 /nfs/dbraw/zinc/10/89/20/899108920.db2.gz VGDQNXDJXFQCMD-UHFFFAOYSA-N -1 1 408.486 4.158 20 5 HIBDMM CSc1ccc(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2C)cc1 ZINC000485397700 900693935 /nfs/dbraw/zinc/69/39/35/900693935.db2.gz YIVDUGJHERNRHJ-UHFFFAOYSA-N -1 1 417.306 4.188 20 5 HIBDMM COc1cccc(Cc2nnc([N-]C(=O)c3cccc(SC)c3[N+](=O)[O-])s2)c1 ZINC000486231193 901414610 /nfs/dbraw/zinc/41/46/10/901414610.db2.gz SLBOORIFVHGCQM-UHFFFAOYSA-N -1 1 416.484 4.020 20 5 HIBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCc1cccc(F)c1 ZINC000506051612 914748836 /nfs/dbraw/zinc/74/88/36/914748836.db2.gz MYXNKJWSFOKLFU-UHFFFAOYSA-N -1 1 401.419 4.147 20 5 HIBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000518657147 927409639 /nfs/dbraw/zinc/40/96/39/927409639.db2.gz HBJPFMHSZXCNEZ-VIFPVBQESA-N -1 1 419.684 4.050 20 5 HIBDMM O=[N+]([O-])c1ccc([O-])cc1CN(Cc1cccc(Br)c1)C1CCOCC1 ZINC000521468645 929235093 /nfs/dbraw/zinc/23/50/93/929235093.db2.gz DTYPAPYIUNSRRQ-UHFFFAOYSA-N -1 1 421.291 4.244 20 5 HIBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(COCc2ccccc2)cc1 ZINC000525535765 930309122 /nfs/dbraw/zinc/30/91/22/930309122.db2.gz OZPHUIKKULTAKU-UHFFFAOYSA-N -1 1 412.467 4.421 20 5 HIBDMM O=C(Nc1cc(Br)ccc1[O-])c1ccc(Br)cc1[N+](=O)[O-] ZINC000530777066 930821228 /nfs/dbraw/zinc/82/12/28/930821228.db2.gz IYIRLLKEISBTAC-UHFFFAOYSA-N -1 1 416.025 4.078 20 5 HIBDMM Cc1c(Br)cc(S(=O)(=O)[N-]c2ccc3ncccc3c2)cc1[N+](=O)[O-] ZINC000535655589 933299248 /nfs/dbraw/zinc/29/92/48/933299248.db2.gz TWSCXKUWEJNVAE-UHFFFAOYSA-N -1 1 422.260 4.015 20 5 HIBDMM COc1cc(C(=O)[N-]c2c(F)cc(Cl)cc2F)c([N+](=O)[O-])cc1OC(F)F ZINC000538250193 938574109 /nfs/dbraw/zinc/57/41/09/938574109.db2.gz AYZBZJAPDSHMNG-UHFFFAOYSA-N -1 1 408.691 4.389 20 5 HIBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000539557356 938879512 /nfs/dbraw/zinc/87/95/12/938879512.db2.gz PBHVFMGVWLOYIU-ZFWWWQNUSA-N -1 1 417.487 4.079 20 5 HIBDMM COc1ccnc2c([N-]C(=O)c3sc(Br)cc3[N+](=O)[O-])cccc12 ZINC000563664527 945242700 /nfs/dbraw/zinc/24/27/00/945242700.db2.gz DNBMHIFTBXGMRX-UHFFFAOYSA-N -1 1 408.233 4.228 20 5 HIBDMM Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cc(C)cc(Br)c2[O-])c1 ZINC000540623231 939322762 /nfs/dbraw/zinc/32/27/62/939322762.db2.gz NIPIBJBTMKOLBB-UHFFFAOYSA-N -1 1 409.236 4.087 20 5 HIBDMM O=c1nc(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)[n-]c2scc(-c3ccco3)c21 ZINC000540856489 939397189 /nfs/dbraw/zinc/39/71/89/939397189.db2.gz QXAUURXJGZXEFX-UHFFFAOYSA-N -1 1 419.422 4.477 20 5 HIBDMM Cc1cc(Br)cc(Cl)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000436005211 861291438 /nfs/dbraw/zinc/29/14/38/861291438.db2.gz GFALYOAWMVKBPS-UHFFFAOYSA-N -1 1 423.647 4.259 20 5 HIBDMM CCc1cc(=O)[n-]c(S[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)n1 ZINC000436238031 861545618 /nfs/dbraw/zinc/54/56/18/861545618.db2.gz DPLYTXQARKIFDC-LJQANCHMSA-N -1 1 424.482 4.433 20 5 HIBDMM COc1ccc(CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000008148616 845481790 /nfs/dbraw/zinc/48/17/90/845481790.db2.gz JIVZWSZUFQGSGG-UHFFFAOYSA-N -1 1 413.455 4.016 20 5 HIBDMM CCc1cc2c(COC(=O)c3ccc(SC)c([N+](=O)[O-])c3)cc(=O)oc2cc1[O-] ZINC000009621849 845577661 /nfs/dbraw/zinc/57/76/61/845577661.db2.gz VPCIGIYFJHKDGG-UHFFFAOYSA-N -1 1 415.423 4.048 20 5 HIBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)cc1F ZINC000031721608 847938385 /nfs/dbraw/zinc/93/83/85/847938385.db2.gz VEPHGQKEACDWDX-UHFFFAOYSA-N -1 1 402.403 4.210 20 5 HIBDMM CC(C)CCSc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000045572075 848692696 /nfs/dbraw/zinc/69/26/96/848692696.db2.gz XPESXSQGIBIGQD-UHFFFAOYSA-N -1 1 403.386 4.122 20 5 HIBDMM CCOc1cc(-c2noc(-c3cc(F)cc([N+](=O)[O-])c3)n2)cc(Br)c1[O-] ZINC000436895184 862071685 /nfs/dbraw/zinc/07/16/85/862071685.db2.gz UCKDTPQCKNOLPE-UHFFFAOYSA-N -1 1 424.182 4.318 20 5 HIBDMM O=C(Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436987820 862165330 /nfs/dbraw/zinc/16/53/30/862165330.db2.gz MZICPCBHXWCMSF-UHFFFAOYSA-N -1 1 401.382 4.005 20 5 HIBDMM O=C(Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436987820 862165336 /nfs/dbraw/zinc/16/53/36/862165336.db2.gz MZICPCBHXWCMSF-UHFFFAOYSA-N -1 1 401.382 4.005 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccc(Cl)cc2)s1 ZINC000064243562 851857017 /nfs/dbraw/zinc/85/70/17/851857017.db2.gz LMJOLILOLYDWEQ-QGZVFWFLSA-N -1 1 408.888 4.378 20 5 HIBDMM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000426661013 856399401 /nfs/dbraw/zinc/39/94/01/856399401.db2.gz RUSVLVLMSKSDAT-FQEVSTJZSA-N -1 1 405.410 4.122 20 5 HIBDMM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000433156672 859545083 /nfs/dbraw/zinc/54/50/83/859545083.db2.gz KABVRLOMJPLSFB-UHFFFAOYSA-N -1 1 423.647 4.259 20 5 HIBDMM COc1cccc(C(=O)[N-]c2nnc(C34CC5CC(CC(C5)C3)C4)s2)c1[N+](=O)[O-] ZINC000435653384 860936261 /nfs/dbraw/zinc/93/62/61/860936261.db2.gz GIMKPSMYOALGTK-UHFFFAOYSA-N -1 1 414.487 4.175 20 5 HIBDMM CC1=C(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)CCC1 ZINC000437943974 863318684 /nfs/dbraw/zinc/31/86/84/863318684.db2.gz UMDCSOMVGDZBNM-UHFFFAOYSA-N -1 1 415.471 4.143 20 5 HIBDMM Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445178158 869262775 /nfs/dbraw/zinc/26/27/75/869262775.db2.gz XIJSXKZMIXKTST-VIFPVBQESA-N -1 1 418.862 4.272 20 5 HIBDMM Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445178156 869262886 /nfs/dbraw/zinc/26/28/86/869262886.db2.gz XIJSXKZMIXKTST-SECBINFHSA-N -1 1 418.862 4.272 20 5 HIBDMM O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000463542433 876623069 /nfs/dbraw/zinc/62/30/69/876623069.db2.gz HZIIAHSMKJEDDE-UHFFFAOYSA-N -1 1 402.769 4.220 20 5 HIBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-n2cnc3ccccc32)cc1 ZINC000503427204 912423330 /nfs/dbraw/zinc/42/33/30/912423330.db2.gz MTHVIEJGSABPTQ-UHFFFAOYSA-N -1 1 408.439 4.043 20 5 HIBDMM COc1ccc(OCCSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c([N+](=O)[O-])c1 ZINC000467215882 880945712 /nfs/dbraw/zinc/94/57/12/880945712.db2.gz VBQDMEJHXGFLAP-UHFFFAOYSA-N -1 1 413.455 4.246 20 5 HIBDMM Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)c2)n1 ZINC000470457619 884852286 /nfs/dbraw/zinc/85/22/86/884852286.db2.gz GYIDDFBJVYSKAT-UHFFFAOYSA-N -1 1 401.444 4.284 20 5 HIBDMM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1-c1ncco1 ZINC000481562626 896940376 /nfs/dbraw/zinc/94/03/76/896940376.db2.gz BWANXFYVJQOZHJ-UHFFFAOYSA-N -1 1 407.835 4.321 20 5 HIBDMM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000494127070 905469179 /nfs/dbraw/zinc/46/91/79/905469179.db2.gz HDWIUQMVFZWMJY-XQRVVYSFSA-N -1 1 410.333 4.481 20 5 HIBDMM O=C([N-]c1c(F)cc(Br)cc1F)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000497349562 906845016 /nfs/dbraw/zinc/84/50/16/906845016.db2.gz FCAYZFZJUYAROZ-UHFFFAOYSA-N -1 1 423.116 4.489 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2cccs2)c2ccc(Cl)cc2)s1 ZINC000512767664 921304191 /nfs/dbraw/zinc/30/41/91/921304191.db2.gz UQGVAGYUGZPBPJ-OAHLLOKOSA-N -1 1 414.917 4.439 20 5 HIBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C34CC5CC(CC(C5)C3)C4)s2)c1 ZINC000518648755 927403065 /nfs/dbraw/zinc/40/30/65/927403065.db2.gz LEYYMBRPHQJMSK-UHFFFAOYSA-N -1 1 414.487 4.175 20 5 HIBDMM CCOc1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc(Cl)c1[O-] ZINC000552745356 941750722 /nfs/dbraw/zinc/75/07/22/941750722.db2.gz PVAPWPROPVWDBY-UHFFFAOYSA-N -1 1 415.627 4.367 20 5 HIBDMM Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1[N+](=O)[O-] ZINC000436613223 861870329 /nfs/dbraw/zinc/87/03/29/861870329.db2.gz SWZOHAYVVCDUMP-LJQANCHMSA-N -1 1 419.437 4.005 20 5 HIBDMM CCOc1cc(-c2noc(-c3ccc(F)cc3[N+](=O)[O-])n2)cc(Br)c1[O-] ZINC000436736772 861922123 /nfs/dbraw/zinc/92/21/23/861922123.db2.gz HDTGBXQLASWHME-UHFFFAOYSA-N -1 1 424.182 4.318 20 5 HIBDMM CCOc1cc(-c2noc(-c3ccc(C)c([N+](=O)[O-])c3)n2)cc(Br)c1[O-] ZINC000436766450 861956938 /nfs/dbraw/zinc/95/69/38/861956938.db2.gz DHXKGKAJROUJOC-UHFFFAOYSA-N -1 1 420.219 4.487 20 5 HIBDMM O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436982497 862161975 /nfs/dbraw/zinc/16/19/75/862161975.db2.gz XMRTWFDLVRSPMD-UHFFFAOYSA-N -1 1 416.262 4.083 20 5 HIBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(Oc3cccnc3F)c([N+](=O)[O-])c2)c(C)c1 ZINC000301584788 854424472 /nfs/dbraw/zinc/42/44/72/854424472.db2.gz UXXBFEFYCYXBQO-UHFFFAOYSA-N -1 1 417.418 4.339 20 5 HIBDMM O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(Br)c([O-])c1 ZINC000427603538 856885235 /nfs/dbraw/zinc/88/52/35/856885235.db2.gz KPJVOPCUPZVIIE-UHFFFAOYSA-N -1 1 419.153 4.012 20 5 HIBDMM Cc1ccc([C@@H]2OCCC[C@@H]2C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000437696163 863032798 /nfs/dbraw/zinc/03/27/98/863032798.db2.gz KHENLSQNLSVCTM-QAPCUYQASA-N -1 1 424.906 4.003 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H](c2ccccc2)C(F)(F)F)c(Cl)c1 ZINC000432298403 859091071 /nfs/dbraw/zinc/09/10/71/859091071.db2.gz AHRLJYMVUAPUPE-ZDUSSCGKSA-N -1 1 422.812 4.263 20 5 HIBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(C(F)(F)F)c2)c1 ZINC000442238138 867277845 /nfs/dbraw/zinc/27/78/45/867277845.db2.gz BWXITMFQUSASNC-UHFFFAOYSA-N -1 1 412.292 4.016 20 5 HIBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)c1C ZINC000442855239 867700804 /nfs/dbraw/zinc/70/08/04/867700804.db2.gz XCSAYYWCQQJHEX-UHFFFAOYSA-N -1 1 421.219 4.053 20 5 HIBDMM CSc1cc2c(cc1[N-]C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCCO2 ZINC000443871218 868402468 /nfs/dbraw/zinc/40/24/68/868402468.db2.gz VHWOSTOLXRBABD-UHFFFAOYSA-N -1 1 414.361 4.359 20 5 HIBDMM COc1cc(-c2noc(-c3ccc([N+](=O)[O-])c(C)c3)n2)cc(Br)c1[O-] ZINC000445390769 869477393 /nfs/dbraw/zinc/47/73/93/869477393.db2.gz ISZLHZKVAKEYEO-UHFFFAOYSA-N -1 1 406.192 4.097 20 5 HIBDMM Cc1c(=O)[n-]c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000460451265 873125122 /nfs/dbraw/zinc/12/51/22/873125122.db2.gz UMBYTDUCNBYFCA-CYBMUJFWSA-N -1 1 410.455 4.185 20 5 HIBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCc1cccc2cc[nH]c21 ZINC000466368255 880126461 /nfs/dbraw/zinc/12/64/61/880126461.db2.gz HTIBPXKOZKHZSB-UHFFFAOYSA-N -1 1 422.466 4.489 20 5 HIBDMM CCC1(CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CCOCC1 ZINC000466637274 880411360 /nfs/dbraw/zinc/41/13/60/880411360.db2.gz JVTOAYLUZYNVPS-UHFFFAOYSA-N -1 1 419.503 4.014 20 5 HIBDMM Cc1c(=O)[n-]c(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000467204139 880933798 /nfs/dbraw/zinc/93/37/98/880933798.db2.gz BEDWPXCVWATXPL-CYBMUJFWSA-N -1 1 410.455 4.185 20 5 HIBDMM CCOC(=O)c1cc2cc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3C)ccc2s1 ZINC000475803987 890738058 /nfs/dbraw/zinc/73/80/58/890738058.db2.gz ANDBUSMEQFKJSN-UHFFFAOYSA-N -1 1 420.468 4.095 20 5 HIBDMM O=C([N-]c1ccc(OC(F)F)cc1F)c1sc(Br)cc1[N+](=O)[O-] ZINC000512448162 921168826 /nfs/dbraw/zinc/16/88/26/921168826.db2.gz YLNZNTGXRFVWKV-UHFFFAOYSA-N -1 1 411.155 4.412 20 5 HIBDMM O=C([N-]c1nc(Sc2ccccc2)ns1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498291609 907822574 /nfs/dbraw/zinc/82/25/74/907822574.db2.gz RBLZGYPFGFIAMU-UHFFFAOYSA-N -1 1 409.452 4.398 20 5 HIBDMM CCOC(=O)c1sc(-c2ccc(OC)cc2)cc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000511697955 920363450 /nfs/dbraw/zinc/36/34/50/920363450.db2.gz NBWUGDFQXQCBHP-UHFFFAOYSA-N -1 1 416.411 4.354 20 5 HIBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(NC(=O)C(C)(C)C)ccc2C)c1 ZINC000541801049 939636587 /nfs/dbraw/zinc/63/65/87/939636587.db2.gz VULULWSGLFSTTC-UHFFFAOYSA-N -1 1 419.503 4.305 20 5 HIBDMM O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc([O-])c(Cl)c1 ZINC000542816811 939861363 /nfs/dbraw/zinc/86/13/63/939861363.db2.gz FKNQKITVSAREGH-UHFFFAOYSA-N -1 1 403.744 4.413 20 5 HIBDMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000543811021 940193841 /nfs/dbraw/zinc/19/38/41/940193841.db2.gz WWABEBWRDVWOTD-UHFFFAOYSA-N -1 1 417.162 4.225 20 5 HIBDMM CCOc1cc([N-]C(=O)c2csc(C(F)(F)F)n2)c([N+](=O)[O-])cc1OCC ZINC000551195842 941426543 /nfs/dbraw/zinc/42/65/43/941426543.db2.gz NVYPHWQIFNLKTD-UHFFFAOYSA-N -1 1 405.354 4.120 20 5 HIBDMM O=C([N-]c1ncc(-c2cccnc2)s1)c1sc(Br)cc1[N+](=O)[O-] ZINC000557385163 943095886 /nfs/dbraw/zinc/09/58/86/943095886.db2.gz ZLNACUIUAUWEGH-UHFFFAOYSA-N -1 1 411.262 4.190 20 5 HIBDMM COCC1(CCNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CCC1 ZINC000558952481 943769888 /nfs/dbraw/zinc/76/98/88/943769888.db2.gz JPBGJFDRIAGTOK-UHFFFAOYSA-N -1 1 419.503 4.014 20 5 HIBDMM COc1cccc(C(=O)[N-]c2nnc([C@@H]3CCCc4ccccc43)s2)c1[N+](=O)[O-] ZINC000435970462 861232161 /nfs/dbraw/zinc/23/21/61/861232161.db2.gz MDRHFUZKACIYFV-CQSZACIVSA-N -1 1 410.455 4.175 20 5 HIBDMM CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1OCC ZINC000007421234 845328155 /nfs/dbraw/zinc/32/81/55/845328155.db2.gz GQKXFDTVPRYOPL-UHFFFAOYSA-N -1 1 414.867 4.155 20 5 HIBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(NC(=O)c2cccs2)c1 ZINC000024103232 846789971 /nfs/dbraw/zinc/78/99/71/846789971.db2.gz MFVSKJWYGGXFMM-UHFFFAOYSA-N -1 1 417.468 4.018 20 5 HIBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000060414622 851092425 /nfs/dbraw/zinc/09/24/25/851092425.db2.gz JGXKIKDLFSDVAO-UHFFFAOYSA-N -1 1 417.468 4.018 20 5 HIBDMM CCCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000109597576 852989259 /nfs/dbraw/zinc/98/92/59/852989259.db2.gz PAYZELBIZOFFLY-UHFFFAOYSA-N -1 1 419.503 4.013 20 5 HIBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C(C)(C)C)c2)c1C ZINC000303676828 855126188 /nfs/dbraw/zinc/12/61/88/855126188.db2.gz JBKPUEJVHNKQIX-HHHXNRCGSA-N -1 1 424.544 4.060 20 5 HIBDMM Cc1cc(Br)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000317406268 855382281 /nfs/dbraw/zinc/38/22/81/855382281.db2.gz ITBRYCDSPLPNFI-UHFFFAOYSA-N -1 1 405.657 4.120 20 5 HIBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000445018750 869169002 /nfs/dbraw/zinc/16/90/02/869169002.db2.gz JKRFXJSFXFPZFD-UHFFFAOYSA-N -1 1 410.257 4.097 20 5 HIBDMM Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445024758 869173840 /nfs/dbraw/zinc/17/38/40/869173840.db2.gz XOZWCEVENITOKS-ZDUSSCGKSA-N -1 1 412.471 4.269 20 5 HIBDMM COc1cc(-c2noc(-c3ccc(C)c([N+](=O)[O-])c3)n2)cc(Br)c1[O-] ZINC000445395815 869481300 /nfs/dbraw/zinc/48/13/00/869481300.db2.gz WXQPFQVUCXKIQE-UHFFFAOYSA-N -1 1 406.192 4.097 20 5 HIBDMM COc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC[C@H]3C)cc2C)ccc1[N+](=O)[O-] ZINC000469057447 883131119 /nfs/dbraw/zinc/13/11/19/883131119.db2.gz SQPIBMHVNAUULH-OAHLLOKOSA-N -1 1 419.503 4.091 20 5 HIBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000473207708 887983278 /nfs/dbraw/zinc/98/32/78/887983278.db2.gz JFLJJVIUTULMEB-UHFFFAOYSA-N -1 1 408.241 4.322 20 5 HIBDMM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000473763506 888558452 /nfs/dbraw/zinc/55/84/52/888558452.db2.gz JZZRSVBPOHPKPZ-UHFFFAOYSA-N -1 1 406.794 4.267 20 5 HIBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC(C)(C)C3)cc2)cc1[N+](=O)[O-] ZINC000504628738 913380627 /nfs/dbraw/zinc/38/06/27/913380627.db2.gz UNRDCTHZTOSRSN-UHFFFAOYSA-N -1 1 417.487 4.079 20 5 HIBDMM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000475837064 890769736 /nfs/dbraw/zinc/76/97/36/890769736.db2.gz VKCJFAXXLXDJSZ-UHFFFAOYSA-N -1 1 419.846 4.190 20 5 HIBDMM COc1c(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)cccc1[N+](=O)[O-] ZINC000476777582 891755312 /nfs/dbraw/zinc/75/53/12/891755312.db2.gz UJEWCFYIIHKVIF-UHFFFAOYSA-N -1 1 408.798 4.167 20 5 HIBDMM COc1c(C(=O)[N-]c2nc(Sc3ccc(C)cc3)ns2)cccc1[N+](=O)[O-] ZINC000480113991 895485246 /nfs/dbraw/zinc/48/52/46/895485246.db2.gz UZEAXDGLLHJPJK-UHFFFAOYSA-N -1 1 402.457 4.167 20 5 HIBDMM CSc1cccc(C(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)c1[N+](=O)[O-] ZINC000486219467 901402201 /nfs/dbraw/zinc/40/22/01/901402201.db2.gz FTFVQBHBBMAVIH-UHFFFAOYSA-N -1 1 404.448 4.150 20 5 HIBDMM Cc1coc(-c2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)ccc2C)n1 ZINC000491583219 904662360 /nfs/dbraw/zinc/66/23/60/904662360.db2.gz HHKBVVLBOWFIKZ-UHFFFAOYSA-N -1 1 401.444 4.284 20 5 HIBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccsc3)cc2)cc1[N+](=O)[O-] ZINC000497141398 906811617 /nfs/dbraw/zinc/81/16/17/906811617.db2.gz NMHXFWXVDUUKFQ-UHFFFAOYSA-N -1 1 417.468 4.018 20 5 HIBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000516786313 923886199 /nfs/dbraw/zinc/88/61/99/923886199.db2.gz NYLPNZRRTAZJFH-HNNXBMFYSA-N -1 1 401.271 4.331 20 5 HIBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cn2cnc3ccccc32)cc1 ZINC000517607177 926714372 /nfs/dbraw/zinc/71/43/72/926714372.db2.gz KVHGBVQHWWKZKN-UHFFFAOYSA-N -1 1 422.466 4.102 20 5 HIBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCc1ccc(F)cc1F ZINC000520152626 928346310 /nfs/dbraw/zinc/34/63/10/928346310.db2.gz PBPZQIPZFGNIIT-UHFFFAOYSA-N -1 1 419.409 4.286 20 5 HIBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Cn2cnc3ccccc32)cc1 ZINC000521018728 928936816 /nfs/dbraw/zinc/93/68/16/928936816.db2.gz VQCUIDOQJBWZFF-UHFFFAOYSA-N -1 1 422.466 4.102 20 5 HIBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(COCc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000525534560 930308479 /nfs/dbraw/zinc/30/84/79/930308479.db2.gz IBZAFHJQALTNQT-UHFFFAOYSA-N -1 1 412.467 4.421 20 5 HIBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](CCCc1ccccc1)c1ccccc1 ZINC000525698056 930407924 /nfs/dbraw/zinc/40/79/24/930407924.db2.gz RJLJFKWAHQFDNE-LJQANCHMSA-N -1 1 411.483 4.032 20 5 HIBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)c1 ZINC000544640829 940496828 /nfs/dbraw/zinc/49/68/28/940496828.db2.gz JZXLVFALYZBMPG-UHFFFAOYSA-N -1 1 419.484 4.048 20 5 HIBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)c1 ZINC000549009626 941142674 /nfs/dbraw/zinc/14/26/74/941142674.db2.gz PAYAAVKFKQYDFJ-UHFFFAOYSA-N -1 1 404.835 4.418 20 5 HIBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000559144140 943853323 /nfs/dbraw/zinc/85/33/23/943853323.db2.gz GNDYNFQDOBCRMS-AWEZNQCLSA-N -1 1 414.849 4.383 20 5 HIBDMM O=C([N-]c1nc(C2CCOCC2)cs1)c1sc(Br)cc1[N+](=O)[O-] ZINC000561396892 944578562 /nfs/dbraw/zinc/57/85/62/944578562.db2.gz CSXSPYWUHKBLGN-UHFFFAOYSA-N -1 1 418.294 4.022 20 5 HIBDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)c2)cs1 ZINC000007325322 845310989 /nfs/dbraw/zinc/31/09/89/845310989.db2.gz UJZKPIWWLDIXFA-UHFFFAOYSA-N -1 1 403.485 4.444 20 5 HIBDMM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000426661014 856399336 /nfs/dbraw/zinc/39/93/36/856399336.db2.gz RUSVLVLMSKSDAT-HXUWFJFHSA-N -1 1 405.410 4.122 20 5 HIBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccco1 ZINC000427102943 856637870 /nfs/dbraw/zinc/63/78/70/856637870.db2.gz IIVMDRPQGFKNJO-UHFFFAOYSA-N -1 1 406.350 4.426 20 5 HIBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3cccc(Cl)c3Cl)[nH]n2)c1 ZINC000434965393 860577722 /nfs/dbraw/zinc/57/77/22/860577722.db2.gz FHDLACOJWGHJBT-UHFFFAOYSA-N -1 1 413.242 4.093 20 5 HIBDMM O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444430466 868826284 /nfs/dbraw/zinc/82/62/84/868826284.db2.gz FKELKDCRPVTDQC-NSHDSACASA-N -1 1 423.269 4.138 20 5 HIBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000463445563 876505000 /nfs/dbraw/zinc/50/50/00/876505000.db2.gz VHTMIZWTVPMOIV-UHFFFAOYSA-N -1 1 406.794 4.267 20 5 HIBDMM COC(=O)c1cc([N-]C(=O)c2c(F)cc(C(F)(F)F)cc2F)c(C)c([N+](=O)[O-])c1 ZINC000464481869 877701427 /nfs/dbraw/zinc/70/14/27/877701427.db2.gz NQEKQUZNRUQABG-UHFFFAOYSA-N -1 1 418.274 4.239 20 5 HIBDMM COc1cccc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3F)s2)c1[N+](=O)[O-] ZINC000470637913 885063803 /nfs/dbraw/zinc/06/38/03/885063803.db2.gz NYPNKXOURAJTNA-UHFFFAOYSA-N -1 1 408.798 4.167 20 5 HIBDMM CCO[C@H](CCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])C(C)C ZINC000470864152 885354865 /nfs/dbraw/zinc/35/48/65/885354865.db2.gz ZPQRCVYCEZKIPS-HXUWFJFHSA-N -1 1 421.519 4.259 20 5 HIBDMM Cc1coc(-c2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)ccc2C)n1 ZINC000477411015 892364169 /nfs/dbraw/zinc/36/41/69/892364169.db2.gz HEEWJLRXNBBBOW-UHFFFAOYSA-N -1 1 401.444 4.284 20 5 HIBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2Br)c1[N+](=O)[O-] ZINC000480210417 895613728 /nfs/dbraw/zinc/61/37/28/895613728.db2.gz QVGJPUWNVRUSHM-UHFFFAOYSA-N -1 1 421.219 4.053 20 5 HIBDMM Cc1cscc1CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000485995431 901212871 /nfs/dbraw/zinc/21/28/71/901212871.db2.gz DJFPHXPVAIOHPL-UHFFFAOYSA-N -1 1 403.485 4.378 20 5 HIBDMM Cc1nc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)sc1Cc1cccc(Br)c1 ZINC000488409977 902813768 /nfs/dbraw/zinc/81/37/68/902813768.db2.gz YGOYCQAYVISCIO-UHFFFAOYSA-N -1 1 421.276 4.293 20 5 HIBDMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000497570144 907055008 /nfs/dbraw/zinc/05/50/08/907055008.db2.gz AHIFIAGHSDIUFE-UHFFFAOYSA-N -1 1 407.411 4.066 20 5 HIBDMM O=C([N-]c1nc(-c2cccs2)ns1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000497982571 907459883 /nfs/dbraw/zinc/45/98/83/907459883.db2.gz SGBFIWRVLQUAJG-UHFFFAOYSA-N -1 1 411.262 4.190 20 5 HIBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccc(Cl)cc1C(F)(F)F ZINC000501934561 910923944 /nfs/dbraw/zinc/92/39/44/910923944.db2.gz WZYWZLDONOLUMX-UHFFFAOYSA-N -1 1 408.785 4.251 20 5 HIBDMM Cc1c(Br)cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1[N+](=O)[O-] ZINC000512363817 921105943 /nfs/dbraw/zinc/10/59/43/921105943.db2.gz VMJXDQUJFKTCAU-UHFFFAOYSA-N -1 1 417.219 4.014 20 5 HIBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCc1ccc(F)c(F)c1 ZINC000518696075 927437770 /nfs/dbraw/zinc/43/77/70/927437770.db2.gz PGWGCEMYHOMBLZ-UHFFFAOYSA-N -1 1 419.409 4.286 20 5 HIBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000521105381 928998039 /nfs/dbraw/zinc/99/80/39/928998039.db2.gz MVTMGOAVYNFPJK-UHFFFAOYSA-N -1 1 419.503 4.251 20 5 HIBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](CCCc1ccccc1)c1ccccc1 ZINC000525698055 930408044 /nfs/dbraw/zinc/40/80/44/930408044.db2.gz RJLJFKWAHQFDNE-IBGZPJMESA-N -1 1 411.483 4.032 20 5 HIBDMM CC(=O)c1cc(F)c([N-]C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c(F)c1 ZINC000539651410 938894293 /nfs/dbraw/zinc/89/42/93/938894293.db2.gz RHIAMWVNVZWYGQ-UHFFFAOYSA-N -1 1 403.366 4.451 20 5 HIBDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541756243 939622216 /nfs/dbraw/zinc/62/22/16/939622216.db2.gz KUPPZWREZIHLNF-UHFFFAOYSA-N -1 1 415.397 4.266 20 5 HIBDMM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(-c3ccc(Cl)cc3)n2)cc1SC ZINC000542446233 939824474 /nfs/dbraw/zinc/82/44/74/939824474.db2.gz MTBNWWZYBBPEGW-UHFFFAOYSA-N -1 1 419.850 4.016 20 5 HIBDMM Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)c2)n1 ZINC000543665487 940154929 /nfs/dbraw/zinc/15/49/29/940154929.db2.gz XSYYIGRFMKGRGB-UHFFFAOYSA-N -1 1 401.444 4.284 20 5 HIBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)c1 ZINC000554963381 942335964 /nfs/dbraw/zinc/33/59/64/942335964.db2.gz VBHDVPWHIUBMRK-UHFFFAOYSA-N -1 1 404.835 4.418 20 5 HIBDMM CCOc1cc(-c2noc(Cc3ccc(OC)c([N+](=O)[O-])c3)n2)cc(Cl)c1[O-] ZINC000559880843 944073873 /nfs/dbraw/zinc/07/38/73/944073873.db2.gz HABNSAXNSWWZTH-UHFFFAOYSA-N -1 1 405.794 4.002 20 5 HIBDMM CN(Cc1cccs1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000007984983 845458430 /nfs/dbraw/zinc/45/84/30/845458430.db2.gz SFQPOEIUIVFWJE-UHFFFAOYSA-N -1 1 403.485 4.094 20 5 HIBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4ccsc4n3)cc2)cc1[N+](=O)[O-] ZINC000016154412 846131671 /nfs/dbraw/zinc/13/16/71/846131671.db2.gz AYJIXNCRHFNHQX-UHFFFAOYSA-N -1 1 414.468 4.080 20 5 HIBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2F)c([N+](=O)[O-])c1 ZINC000031721593 847937938 /nfs/dbraw/zinc/93/79/38/847937938.db2.gz FDVPZXUTXQASOZ-UHFFFAOYSA-N -1 1 402.403 4.210 20 5 HIBDMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000055315493 849999389 /nfs/dbraw/zinc/99/93/89/849999389.db2.gz MLPZUOJKXPMZKC-UHFFFAOYSA-N -1 1 410.451 4.250 20 5 HIBDMM O=C([N-]c1nnc(-c2ccccc2)s1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000107772316 852795434 /nfs/dbraw/zinc/79/54/34/852795434.db2.gz OLBGNTLLSFVZSZ-UHFFFAOYSA-N -1 1 424.360 4.307 20 5 HIBDMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000261404158 854250237 /nfs/dbraw/zinc/25/02/37/854250237.db2.gz NYQCHWLDIFDQIL-ZETCQYMHSA-N -1 1 413.337 4.013 20 5 HIBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(Br)c1 ZINC000314201729 855375097 /nfs/dbraw/zinc/37/50/97/855375097.db2.gz QEMNBDJHSZGDAG-UHFFFAOYSA-N -1 1 405.657 4.120 20 5 HIBDMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(Br)c1 ZINC000322338096 855392152 /nfs/dbraw/zinc/39/21/52/855392152.db2.gz AARLSWZHPCHTPC-UHFFFAOYSA-N -1 1 419.684 4.428 20 5 HIBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000467792005 881616643 /nfs/dbraw/zinc/61/66/43/881616643.db2.gz ZACCDOGMXAAHCN-ZDUSSCGKSA-N -1 1 417.874 4.350 20 5 HIBDMM O=C(NCc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1)Nc1ccccc1Cl ZINC000443458701 868048973 /nfs/dbraw/zinc/04/89/73/868048973.db2.gz AWCHSBRKHDWMMU-UHFFFAOYSA-N -1 1 413.821 4.150 20 5 HIBDMM O=C([N-]c1nc(-c2ccco2)cs1)c1sc(Br)cc1[N+](=O)[O-] ZINC000444859300 869060582 /nfs/dbraw/zinc/06/05/82/869060582.db2.gz NOHYKMPAIKLDSA-UHFFFAOYSA-N -1 1 400.235 4.388 20 5 HIBDMM COc1cc(-c2noc(/C=C\c3cccc([N+](=O)[O-])c3)n2)cc(Br)c1[O-] ZINC000445394722 869480441 /nfs/dbraw/zinc/48/04/41/869480441.db2.gz RQVCOZMGSGPDTL-WAYWQWQTSA-N -1 1 418.203 4.292 20 5 HIBDMM Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)c2)n1 ZINC000470446228 884842611 /nfs/dbraw/zinc/84/26/11/884842611.db2.gz PVVFJLOCCMRFBU-UHFFFAOYSA-N -1 1 401.444 4.284 20 5 HIBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000474214273 889053252 /nfs/dbraw/zinc/05/32/52/889053252.db2.gz RDTJIJUGQIQZQI-ZDUSSCGKSA-N -1 1 417.874 4.350 20 5 HIBDMM CC[C@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000481025378 896354148 /nfs/dbraw/zinc/35/41/48/896354148.db2.gz PWEAHTRRWYSRJC-JTQLQIEISA-N -1 1 423.438 4.117 20 5 HIBDMM Cc1nc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c(Cl)cc1Cl ZINC000481991300 897386798 /nfs/dbraw/zinc/38/67/98/897386798.db2.gz RTQYKMPQFSKWHI-UHFFFAOYSA-N -1 1 410.666 4.368 20 5 HIBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NC[C@@H]1CCC(F)(F)C1 ZINC000485399457 900697695 /nfs/dbraw/zinc/69/76/95/900697695.db2.gz CNJIBMWIOOWOPX-CYBMUJFWSA-N -1 1 411.430 4.243 20 5 HIBDMM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)cc1SC ZINC000490299739 903887696 /nfs/dbraw/zinc/88/76/96/903887696.db2.gz JVFLXHMPIQSFTK-AATRIKPKSA-N -1 1 418.456 4.193 20 5 HIBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)cc1[N+](=O)[O-] ZINC000491761750 904694914 /nfs/dbraw/zinc/69/49/14/904694914.db2.gz JLOZSWIRNDQPAB-UHFFFAOYSA-N -1 1 419.484 4.048 20 5 HIBDMM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000494127069 905469132 /nfs/dbraw/zinc/46/91/32/905469132.db2.gz HDWIUQMVFZWMJY-GQCTYLIASA-N -1 1 410.333 4.481 20 5 HIBDMM COc1cc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2C)ccc1[N+](=O)[O-] ZINC000508119068 916935968 /nfs/dbraw/zinc/93/59/68/916935968.db2.gz QKXIKEWOSWCCEC-UHFFFAOYSA-N -1 1 419.503 4.093 20 5 HIBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCSc2ccc(Cl)cc21 ZINC000520028486 928251055 /nfs/dbraw/zinc/25/10/55/928251055.db2.gz CERQAUQAOSCDMJ-GFCCVEGCSA-N -1 1 419.311 4.417 20 5 HIBDMM COc1ccc(-c2nsc([N-]C(=O)c3cc(SC)ccc3[N+](=O)[O-])n2)cc1 ZINC000524551977 929681221 /nfs/dbraw/zinc/68/12/21/929681221.db2.gz USBNHVAIKJMBIG-UHFFFAOYSA-N -1 1 402.457 4.096 20 5 HIBDMM O=C(Nc1cc(Br)ccc1[O-])c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000531492675 931077322 /nfs/dbraw/zinc/07/73/22/931077322.db2.gz JRDGWCANVRQBNU-UHFFFAOYSA-N -1 1 405.126 4.334 20 5 HIBDMM CCOc1ccc(F)c([N-]C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1F ZINC000534770384 932751143 /nfs/dbraw/zinc/75/11/43/932751143.db2.gz IAJCCNYTVZIZCC-UHFFFAOYSA-N -1 1 418.299 4.134 20 5 HIBDMM COc1ccc(S(=O)(=O)[N-]c2ccccc2NC2CCCCC2)cc1[N+](=O)[O-] ZINC000535737624 933371209 /nfs/dbraw/zinc/37/12/09/933371209.db2.gz CYSCDZGWJFYFCG-UHFFFAOYSA-N -1 1 405.476 4.149 20 5 HIBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(SC3CCOCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000535913108 933488250 /nfs/dbraw/zinc/48/82/50/933488250.db2.gz GKHXUNDLFNOWDS-UHFFFAOYSA-N -1 1 422.528 4.284 20 5 HIBDMM Cc1c([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n[nH]c1-c1ccccc1 ZINC000539109179 938804136 /nfs/dbraw/zinc/80/41/36/938804136.db2.gz QLZCLIPGWXNXDD-UHFFFAOYSA-N -1 1 406.851 4.056 20 5 HIBDMM Cc1cc(C)c([N+](=O)[O-])c(NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)n1 ZINC000541931836 939657252 /nfs/dbraw/zinc/65/72/52/939657252.db2.gz CNGUPPZGZXONFS-UHFFFAOYSA-N -1 1 412.471 4.020 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)s1 ZINC000549238831 941173312 /nfs/dbraw/zinc/17/33/12/941173312.db2.gz VJFRMLMBKSZBIZ-CQSZACIVSA-N -1 1 406.407 4.105 20 5 HIBDMM COC(=O)c1cc([N-]C(=O)c2cc(-c3ccccc3Cl)on2)c(C)c([N+](=O)[O-])c1 ZINC000550107149 941285574 /nfs/dbraw/zinc/28/55/74/941285574.db2.gz VDODOYBUURPQAW-UHFFFAOYSA-N -1 1 415.789 4.251 20 5 HIBDMM O=C([N-]c1nnc(SCc2ccc(F)cc2)s1)c1ccc([N+](=O)[O-])cc1F ZINC000054421287 849863714 /nfs/dbraw/zinc/86/37/14/849863714.db2.gz ZMLBZXAHLXHPJT-UHFFFAOYSA-N -1 1 408.411 4.269 20 5 HIBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(SCc2cccs2)s1 ZINC000104963857 852685461 /nfs/dbraw/zinc/68/54/61/852685461.db2.gz FHLZSEGOBIFYTE-UHFFFAOYSA-N -1 1 408.486 4.061 20 5 HIBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1Cl ZINC000195698163 853765781 /nfs/dbraw/zinc/76/57/81/853765781.db2.gz CVGALTHUIHBEQQ-UHFFFAOYSA-N -1 1 410.757 4.076 20 5 HIBDMM O=[N+]([O-])c1ccccc1CNCc1cc(Br)c([O-])c(Br)c1 ZINC000223483589 853878309 /nfs/dbraw/zinc/87/83/09/853878309.db2.gz OMIHXDYVVDABGW-UHFFFAOYSA-N -1 1 416.069 4.115 20 5 HIBDMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)c2)n1 ZINC000467933369 881806561 /nfs/dbraw/zinc/80/65/61/881806561.db2.gz KYSWZHREHGBVNO-UHFFFAOYSA-N -1 1 407.835 4.321 20 5 HIBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc(-c2ccc(SC)cc2)ns1 ZINC000440469104 865773184 /nfs/dbraw/zinc/77/31/84/865773184.db2.gz KBCDCOOOHJSBAX-UHFFFAOYSA-N -1 1 402.457 4.096 20 5 HIBDMM CCOc1cc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)cc(Cl)c1[O-] ZINC000443208038 867874709 /nfs/dbraw/zinc/87/47/09/867874709.db2.gz MYKKARSRCKRDQA-UHFFFAOYSA-N -1 1 404.810 4.057 20 5 HIBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000445141990 869239942 /nfs/dbraw/zinc/23/99/42/869239942.db2.gz WBJWIZATMXKVGY-GJZGRUSLSA-N -1 1 409.364 4.123 20 5 HIBDMM COc1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3C)n2)cc(Br)c1[O-] ZINC000445397533 869482707 /nfs/dbraw/zinc/48/27/07/869482707.db2.gz IXQZBUYDGSZZPZ-UHFFFAOYSA-N -1 1 406.192 4.097 20 5 HIBDMM CCOc1cc(-c2noc(CCCNc3ccc([N+](=O)[O-])cc3)n2)cc(Cl)c1[O-] ZINC000445410166 869493338 /nfs/dbraw/zinc/49/33/38/869493338.db2.gz GYEJQWACSOJVDH-UHFFFAOYSA-N -1 1 418.837 4.447 20 5 HIBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)c1 ZINC000460437204 873104836 /nfs/dbraw/zinc/10/48/36/873104836.db2.gz MMZHWPBGTRSPCV-UHFFFAOYSA-N -1 1 408.382 4.193 20 5 HIBDMM C[C@H](CC(F)(F)F)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000463745773 876868926 /nfs/dbraw/zinc/86/89/26/876868926.db2.gz LXQPDAUIVNDTLH-LLVKDONJSA-N -1 1 403.382 4.148 20 5 HIBDMM CCOc1c(Cl)cc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1Cl ZINC000464541733 877756079 /nfs/dbraw/zinc/75/60/79/877756079.db2.gz WGBIDOJYFFAWIO-UHFFFAOYSA-N -1 1 421.258 4.110 20 5 HIBDMM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000466956676 880739678 /nfs/dbraw/zinc/73/96/78/880739678.db2.gz AGTTXBDSGYOGBL-UHFFFAOYSA-N -1 1 417.896 4.158 20 5 HIBDMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000474312114 889177046 /nfs/dbraw/zinc/17/70/46/889177046.db2.gz STGGLPCIKWXBRJ-UHFFFAOYSA-N -1 1 405.657 4.120 20 5 HIBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(C[S@](=O)C(C)(C)C)c1 ZINC000481966294 897356247 /nfs/dbraw/zinc/35/62/47/897356247.db2.gz VYTRZRVBIDSLLL-MHZLTWQESA-N -1 1 424.544 4.060 20 5 HIBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000493032154 904994630 /nfs/dbraw/zinc/99/46/30/904994630.db2.gz JMAZXRFIBVRUDK-UHFFFAOYSA-N -1 1 417.409 4.097 20 5 HIBDMM CCSc1ccc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000507482944 916250859 /nfs/dbraw/zinc/25/08/59/916250859.db2.gz GKEYCCBJDSIHGO-NSHDSACASA-N -1 1 400.909 4.400 20 5 HIBDMM CN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000513614682 921944549 /nfs/dbraw/zinc/94/45/49/921944549.db2.gz JFWAVYQQKCZDFS-UHFFFAOYSA-N -1 1 406.320 4.406 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)c2ccccc2F)s1 ZINC000525386552 930212009 /nfs/dbraw/zinc/21/20/09/930212009.db2.gz VOTLWPRXZNHKGC-INIZCTEOSA-N -1 1 406.460 4.058 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccco4)[nH]c3c2)c(Cl)c1 ZINC000530717018 930806750 /nfs/dbraw/zinc/80/67/50/930806750.db2.gz PHSCVTVTTYLEAJ-UHFFFAOYSA-N -1 1 418.818 4.185 20 5 HIBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000531194245 930960366 /nfs/dbraw/zinc/96/03/66/930960366.db2.gz WNNSBNKUYNBRED-UHFFFAOYSA-N -1 1 418.818 4.185 20 5 HIBDMM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000538708514 938687545 /nfs/dbraw/zinc/68/75/45/938687545.db2.gz VCRAFWALBNYELO-UHFFFAOYSA-N -1 1 424.360 4.030 20 5 HIBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cc(Br)sc3Br)no2)[n-]1 ZINC000570272246 947177374 /nfs/dbraw/zinc/17/73/74/947177374.db2.gz RUWYLJZZRPXZTD-UHFFFAOYSA-N -1 1 420.042 4.226 20 5 HIBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)c1C ZINC000015243992 846023273 /nfs/dbraw/zinc/02/32/73/846023273.db2.gz SFEVPKADVZBWDP-UHFFFAOYSA-N -1 1 406.794 4.267 20 5 HIBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCCC2)O3)cc1[N+](=O)[O-] ZINC000028783647 847460286 /nfs/dbraw/zinc/46/02/86/847460286.db2.gz MGPUMPVPQTVJFX-UHFFFAOYSA-N -1 1 404.444 4.136 20 5 HIBDMM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)c2)n1 ZINC000031776625 847946963 /nfs/dbraw/zinc/94/69/63/847946963.db2.gz XRUDAKRGXWVSOI-UHFFFAOYSA-N -1 1 418.862 4.123 20 5 HIBDMM O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043342477 848411676 /nfs/dbraw/zinc/41/16/76/848411676.db2.gz CZNSDTUMWLFHRP-UHFFFAOYSA-N -1 1 403.822 4.081 20 5 HIBDMM CCOc1cc(-c2noc(-c3cccc([N+](=O)[O-])c3)n2)cc(Br)c1[O-] ZINC000436777917 861970534 /nfs/dbraw/zinc/97/05/34/861970534.db2.gz PJWABQZJIWLWGF-UHFFFAOYSA-N -1 1 406.192 4.179 20 5 HIBDMM O=C([N-]c1nc(-c2ccccc2)ns1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050331985 849372113 /nfs/dbraw/zinc/37/21/13/849372113.db2.gz ATUILBHMFNMWLA-UHFFFAOYSA-N -1 1 409.452 4.489 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC(c2ccccc2)c2ccccc2)s1 ZINC000064241151 851855932 /nfs/dbraw/zinc/85/59/32/851855932.db2.gz UILOVLPBJSVCFQ-UHFFFAOYSA-N -1 1 402.497 4.157 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3F)cc2)cc1 ZINC000064478396 851909416 /nfs/dbraw/zinc/90/94/16/851909416.db2.gz BSAODMXOYQJZHO-UHFFFAOYSA-N -1 1 402.403 4.114 20 5 HIBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(Br)ccc1Cl ZINC000315716901 855379179 /nfs/dbraw/zinc/37/91/79/855379179.db2.gz MRUNAIQCNXIRAU-UHFFFAOYSA-N -1 1 405.657 4.120 20 5 HIBDMM O=C([N-]c1nnc(-c2ccsc2)s1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429818004 857896172 /nfs/dbraw/zinc/89/61/72/857896172.db2.gz BNEKXIURONYUSW-UHFFFAOYSA-N -1 1 411.262 4.190 20 5 HIBDMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000432085154 858977610 /nfs/dbraw/zinc/97/76/10/858977610.db2.gz MTNANOWZPZLBPR-UHFFFAOYSA-N -1 1 422.768 4.270 20 5 HIBDMM CS(=O)(=O)c1ccc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2Sc2cccs2)o1 ZINC000435444332 860800770 /nfs/dbraw/zinc/80/07/70/860800770.db2.gz SACGPXJWFBKQBH-UHFFFAOYSA-N -1 1 424.481 4.056 20 5 HIBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc(Sc2ccc(C)cc2)ns1 ZINC000440313640 865584061 /nfs/dbraw/zinc/58/40/61/865584061.db2.gz JHLNGQJDEGAUST-UHFFFAOYSA-N -1 1 402.457 4.167 20 5 HIBDMM COc1cc(-c2noc(-c3cc(C)cc([N+](=O)[O-])c3)n2)cc(Br)c1[O-] ZINC000445392076 869478873 /nfs/dbraw/zinc/47/88/73/869478873.db2.gz NFLPQBRSFBXUCG-UHFFFAOYSA-N -1 1 406.192 4.097 20 5 HIBDMM Cc1sc(S(=O)(=O)[N-]c2ccc(Cl)cc2Br)cc1[N+](=O)[O-] ZINC000466962220 880752041 /nfs/dbraw/zinc/75/20/41/880752041.db2.gz BLGBZFSSZJCVFI-UHFFFAOYSA-N -1 1 411.686 4.181 20 5 HIBDMM CC[C@@H](C)Sc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(C)c1 ZINC000471137372 885679494 /nfs/dbraw/zinc/67/94/94/885679494.db2.gz PJNIUXJBWAHQJN-GFCCVEGCSA-N -1 1 424.500 4.293 20 5 HIBDMM Cc1coc(-c2cc([N-]S(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)ccc2C)n1 ZINC000477441959 892392588 /nfs/dbraw/zinc/39/25/88/892392588.db2.gz HUEFQOSHLJFLKE-UHFFFAOYSA-N -1 1 401.444 4.284 20 5 HIBDMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1C ZINC000481979617 897372750 /nfs/dbraw/zinc/37/27/50/897372750.db2.gz HQBOILBOYJQRIA-UHFFFAOYSA-N -1 1 405.476 4.059 20 5 HIBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C(C)(C)C)c2)cc1[N+](=O)[O-] ZINC000491665440 904682682 /nfs/dbraw/zinc/68/26/82/904682682.db2.gz KYHZIMGDSQAUGJ-HHHXNRCGSA-N -1 1 424.544 4.060 20 5 HIBDMM CCC[C@@H](C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000499815496 908944776 /nfs/dbraw/zinc/94/47/76/908944776.db2.gz SWMPUBPDNMHGFP-CQSZACIVSA-N -1 1 419.503 4.469 20 5 HIBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3csc4ccccc43)[nH]n2)c1 ZINC000506807274 915554951 /nfs/dbraw/zinc/55/49/51/915554951.db2.gz SVVOSMXMJCYFBS-UHFFFAOYSA-N -1 1 400.441 4.000 20 5 HIBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(Cc3ccccn3)ccc2C)c1C ZINC000509383487 918050264 /nfs/dbraw/zinc/05/02/64/918050264.db2.gz IISVDMFFYPKPPN-UHFFFAOYSA-N -1 1 411.483 4.307 20 5 HIBDMM O=[N+]([O-])c1ccc(-c2noc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)n2)cc1 ZINC000545553053 940574518 /nfs/dbraw/zinc/57/45/18/940574518.db2.gz UPBJVQNBBHSNNB-UHFFFAOYSA-N -1 1 422.422 4.113 20 5 HIBDMM CCOc1cc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc(Cl)c1[O-] ZINC000546563645 940854487 /nfs/dbraw/zinc/85/44/87/940854487.db2.gz HFZQSAPZBJOAMU-SFHVURJKSA-N -1 1 408.863 4.240 20 5 HIBDMM C[C@@H]1C[C@@H](CCNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CCO1 ZINC000554739301 942216879 /nfs/dbraw/zinc/21/68/79/942216879.db2.gz XBAXQMWZRNBICG-CVEARBPZSA-N -1 1 419.503 4.013 20 5 HIBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)c1 ZINC000574057932 948354592 /nfs/dbraw/zinc/35/45/92/948354592.db2.gz WYHKNYGHMUMBIR-UHFFFAOYSA-N -1 1 418.862 4.342 20 5 HIBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(SCc2cccnc2)cc1 ZINC000024829885 846874844 /nfs/dbraw/zinc/87/48/44/846874844.db2.gz OGUKDDSVYMCAPW-UHFFFAOYSA-N -1 1 415.496 4.391 20 5 HIBDMM COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)[N-]c2nnc(C3CC3)s2)cc1 ZINC000030560408 847736385 /nfs/dbraw/zinc/73/63/85/847736385.db2.gz VAZOEOCIAUSKJC-UHFFFAOYSA-N -1 1 412.427 4.377 20 5 HIBDMM Cc1sc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000046588591 848881003 /nfs/dbraw/zinc/88/10/03/848881003.db2.gz QGKFPWOASMIHML-UHFFFAOYSA-N -1 1 417.468 4.018 20 5 HIBDMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000055594999 850072376 /nfs/dbraw/zinc/07/23/76/850072376.db2.gz RGQBKVWCJRRBLU-UHFFFAOYSA-N -1 1 411.867 4.014 20 5 HIBDMM O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436912132 862088828 /nfs/dbraw/zinc/08/88/28/862088828.db2.gz WHBFLAOYJQGUDJ-UHFFFAOYSA-N -1 1 401.382 4.005 20 5 HIBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000057432516 850636845 /nfs/dbraw/zinc/63/68/45/850636845.db2.gz SSWXSVKXMARXOA-UHFFFAOYSA-N -1 1 400.412 4.197 20 5 HIBDMM Cc1csc(Nc2cccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)n1 ZINC000072034533 852477944 /nfs/dbraw/zinc/47/79/44/852477944.db2.gz UIYGXWVMKAJRIQ-UHFFFAOYSA-N -1 1 404.473 4.213 20 5 HIBDMM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000426672782 856405837 /nfs/dbraw/zinc/40/58/37/856405837.db2.gz BYMZOXJCFDMMKF-FQEVSTJZSA-N -1 1 405.410 4.122 20 5 HIBDMM O=C([O-])[C@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(O)cc1 ZINC000426766210 856466540 /nfs/dbraw/zinc/46/65/40/856466540.db2.gz XVFDGXKTAKKLLC-HXUWFJFHSA-N -1 1 412.373 4.147 20 5 HIBDMM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1OC ZINC000426808476 856489870 /nfs/dbraw/zinc/48/98/70/856489870.db2.gz RNCMFXBNXLJWLA-QGZVFWFLSA-N -1 1 402.447 4.041 20 5 HIBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nc(Sc2ccc(C)cc2)ns1 ZINC000427863345 856985987 /nfs/dbraw/zinc/98/59/87/856985987.db2.gz ILBPFGUOMBHXRH-UHFFFAOYSA-N -1 1 402.457 4.167 20 5 HIBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000438768079 864263043 /nfs/dbraw/zinc/26/30/43/864263043.db2.gz BHTQMMYJXGGAHS-UHFFFAOYSA-N -1 1 408.785 4.462 20 5 HIBDMM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443572980 868128185 /nfs/dbraw/zinc/12/81/85/868128185.db2.gz IIHBPMFBZVISTK-UHFFFAOYSA-N -1 1 410.226 4.470 20 5 HIBDMM Cc1c(=O)[n-]c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nc1-c1ccccc1 ZINC000460432552 873097593 /nfs/dbraw/zinc/09/75/93/873097593.db2.gz ZLZFKSDARBGHBT-UHFFFAOYSA-N -1 1 411.439 4.225 20 5 HIBDMM Cc1c(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000460451266 873124756 /nfs/dbraw/zinc/12/47/56/873124756.db2.gz UMBYTDUCNBYFCA-ZDUSSCGKSA-N -1 1 410.455 4.185 20 5 HIBDMM Cc1c(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cccc1[N+](=O)[O-] ZINC000467209245 880937589 /nfs/dbraw/zinc/93/75/89/880937589.db2.gz ZCGGYUDFNOBDMX-AWEZNQCLSA-N -1 1 424.482 4.494 20 5 HIBDMM O=C(Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000469562405 883815022 /nfs/dbraw/zinc/81/50/22/883815022.db2.gz QTHANNUTWNJCJP-UHFFFAOYSA-N -1 1 410.336 4.374 20 5 HIBDMM COCc1ccccc1S(=O)(=O)[N-]c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000484628503 900079256 /nfs/dbraw/zinc/07/92/56/900079256.db2.gz HWTVQQSNDIJIOH-UHFFFAOYSA-N -1 1 414.439 4.334 20 5 HIBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@@H]1CCCC(F)(F)C1 ZINC000486892343 901935983 /nfs/dbraw/zinc/93/59/83/901935983.db2.gz GRBPECBVENODKT-CQSZACIVSA-N -1 1 411.430 4.385 20 5 HIBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccccc1OC1CCCC1 ZINC000516342142 923677055 /nfs/dbraw/zinc/67/70/55/923677055.db2.gz RRZANIFQFSMYQK-UHFFFAOYSA-N -1 1 410.879 4.048 20 5 HIBDMM CCO[C@@H](c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)c1ccc(F)cc1C(F)(F)F ZINC000516513267 923772071 /nfs/dbraw/zinc/77/20/71/923772071.db2.gz SRHZZJIWBDKIFQ-CYBMUJFWSA-N -1 1 400.288 4.257 20 5 HIBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cn3ccnc3C(C)C)c2)cc1[N+](=O)[O-] ZINC000517489959 924225965 /nfs/dbraw/zinc/22/59/65/924225965.db2.gz YTSOXEGEQIGMRU-UHFFFAOYSA-N -1 1 414.487 4.072 20 5 HIBDMM COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000524967171 929931874 /nfs/dbraw/zinc/93/18/74/929931874.db2.gz KSYOIYSHMGTOFK-UHFFFAOYSA-N -1 1 400.412 4.197 20 5 HIBDMM COc1c(C(=O)[N-]c2nnc(SCc3ccc(F)cc3)s2)cccc1[N+](=O)[O-] ZINC000527236001 930618683 /nfs/dbraw/zinc/61/86/83/930618683.db2.gz KDTVGKZONKWMKJ-UHFFFAOYSA-N -1 1 420.447 4.139 20 5 HIBDMM O=C(Nc1ccc(F)cc1[O-])c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000532012997 931284302 /nfs/dbraw/zinc/28/43/02/931284302.db2.gz XUNJDUBJGQQQLC-UHFFFAOYSA-N -1 1 411.176 4.184 20 5 HIBDMM CCOc1cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc(Cl)c1[O-] ZINC000545856350 940639485 /nfs/dbraw/zinc/63/94/85/940639485.db2.gz DQDASADNGRPTSS-UHFFFAOYSA-N -1 1 420.849 4.036 20 5 HIBDMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000552022388 941569729 /nfs/dbraw/zinc/56/97/29/941569729.db2.gz MEEFTPMEWVEBNA-UHFFFAOYSA-N -1 1 410.611 4.450 20 5 HIBDMM O=C([O-])/C=C/c1ccc(NC2CCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000013037633 845904015 /nfs/dbraw/zinc/90/40/15/845904015.db2.gz YVRBRWFDMFCMQQ-XBXARRHUSA-N -1 1 415.877 4.423 20 5 HIBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(SCc2ccc(F)cc2)s1 ZINC000022740098 846612533 /nfs/dbraw/zinc/61/25/33/846612533.db2.gz QXBSFFXNVNERMN-UHFFFAOYSA-N -1 1 420.447 4.139 20 5 HIBDMM O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436676277 861891484 /nfs/dbraw/zinc/89/14/84/861891484.db2.gz YXTMUAIQEVZMII-UHFFFAOYSA-N -1 1 401.382 4.005 20 5 HIBDMM CCOc1cc(-c2noc(-c3cccc([N+](=O)[O-])c3C)n2)cc(Br)c1[O-] ZINC000436757943 861944342 /nfs/dbraw/zinc/94/43/42/861944342.db2.gz WRDBMFJEIFBRPN-UHFFFAOYSA-N -1 1 420.219 4.487 20 5 HIBDMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1C ZINC000063181228 851629466 /nfs/dbraw/zinc/62/94/66/851629466.db2.gz VRBHARTUTRZLHD-UHFFFAOYSA-N -1 1 405.476 4.059 20 5 HIBDMM CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1[N+](=O)[O-] ZINC000097028938 852575047 /nfs/dbraw/zinc/57/50/47/852575047.db2.gz JADAGOLKEQXGMW-UHFFFAOYSA-N -1 1 410.470 4.333 20 5 HIBDMM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000206619347 853798877 /nfs/dbraw/zinc/79/88/77/853798877.db2.gz BYKVGTBHTRKQJT-NVNXTCNLSA-N -1 1 423.450 4.048 20 5 HIBDMM COc1ccccc1[C@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000426816719 856495295 /nfs/dbraw/zinc/49/52/95/856495295.db2.gz LYSQTGIABDOMDM-QFIPXVFZSA-N -1 1 421.453 4.287 20 5 HIBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nc(-c2ccc(SC)cc2)ns1 ZINC000427383099 856802852 /nfs/dbraw/zinc/80/28/52/856802852.db2.gz QBEWWPBTNAHNTD-UHFFFAOYSA-N -1 1 402.457 4.096 20 5 HIBDMM CSc1ccc([N-]S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 ZINC000438796171 864288186 /nfs/dbraw/zinc/28/81/86/864288186.db2.gz QHVDQPCIIAWVHG-UHFFFAOYSA-N -1 1 417.306 4.188 20 5 HIBDMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444646206 868929041 /nfs/dbraw/zinc/92/90/41/868929041.db2.gz BBBBBLAJHVJFEE-UHFFFAOYSA-N -1 1 414.396 4.168 20 5 HIBDMM CCOc1cc(-c2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)cc(Cl)c1[O-] ZINC000445410879 869494512 /nfs/dbraw/zinc/49/45/12/869494512.db2.gz KJIZVRPEXMBYEQ-UHFFFAOYSA-N -1 1 414.805 4.475 20 5 HIBDMM Cc1c(=O)[n-]c(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)nc1-c1ccccc1 ZINC000460450608 873125707 /nfs/dbraw/zinc/12/57/07/873125707.db2.gz BKOSEXHECISFBQ-UHFFFAOYSA-N -1 1 421.438 4.408 20 5 HIBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(S[C@@H]3CCCOC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000503253824 912233190 /nfs/dbraw/zinc/23/31/90/912233190.db2.gz KHPIZCXVONDMCQ-OAHLLOKOSA-N -1 1 422.528 4.284 20 5 HIBDMM Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000467199660 880929799 /nfs/dbraw/zinc/92/97/99/880929799.db2.gz CNXYLRIABMRZIS-UHFFFAOYSA-N -1 1 410.455 4.105 20 5 HIBDMM Cc1c(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cccc1[N+](=O)[O-] ZINC000467209246 880937410 /nfs/dbraw/zinc/93/74/10/880937410.db2.gz ZCGGYUDFNOBDMX-CQSZACIVSA-N -1 1 424.482 4.494 20 5 HIBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2F)s1 ZINC000470638760 885064097 /nfs/dbraw/zinc/06/40/97/885064097.db2.gz XOKLMRBGUHDSPL-UHFFFAOYSA-N -1 1 408.798 4.167 20 5 HIBDMM COc1c(C(=O)[N-]c2nnc(SCc3cccs3)s2)cccc1[N+](=O)[O-] ZINC000479793558 895097152 /nfs/dbraw/zinc/09/71/52/895097152.db2.gz CMNLIEWQPSYSGK-UHFFFAOYSA-N -1 1 408.486 4.061 20 5 HIBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000480356498 895762573 /nfs/dbraw/zinc/76/25/73/895762573.db2.gz MRLNUPPXIBHTPF-UHFFFAOYSA-N -1 1 410.257 4.097 20 5 HIBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(Sc2nncs2)cc1 ZINC000481962851 897354101 /nfs/dbraw/zinc/35/41/01/897354101.db2.gz XNWKHHXCVQOPKA-UHFFFAOYSA-N -1 1 422.513 4.015 20 5 HIBDMM COc1c(F)cc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000488285475 902747872 /nfs/dbraw/zinc/74/78/72/902747872.db2.gz XQVHQWKCTRLHKO-UHFFFAOYSA-N -1 1 422.356 4.038 20 5 HIBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000509677481 918309564 /nfs/dbraw/zinc/30/95/64/918309564.db2.gz BFXMOHOUGRFQOW-MFKMUULPSA-N -1 1 420.796 4.101 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCOc3c(-c4ccccc4)cccc32)s1 ZINC000509746056 918365836 /nfs/dbraw/zinc/36/58/36/918365836.db2.gz MLSOGJGONBVOJI-MRXNPFEDSA-N -1 1 416.480 4.125 20 5 HIBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000516783020 923885894 /nfs/dbraw/zinc/88/58/94/923885894.db2.gz NQCMGHPVBSCNKL-GOSISDBHSA-N -1 1 420.849 4.455 20 5 HIBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCCCOC1CCCCC1 ZINC000518967454 927662314 /nfs/dbraw/zinc/66/23/14/927662314.db2.gz PEMNVFKSVOPWEL-UHFFFAOYSA-N -1 1 404.916 4.046 20 5 HIBDMM CCC[C@@H](CC)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000520980491 928899861 /nfs/dbraw/zinc/89/98/61/928899861.db2.gz ZCTKSRRHVASESQ-MRXNPFEDSA-N -1 1 419.503 4.013 20 5 HIBDMM CCOc1cc(-c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)cc(Cl)c1[O-] ZINC000525955802 930493663 /nfs/dbraw/zinc/49/36/63/930493663.db2.gz MLVPOEIVDPPDFQ-UHFFFAOYSA-N -1 1 405.794 4.002 20 5 HIBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3=CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000527357485 930645390 /nfs/dbraw/zinc/64/53/90/930645390.db2.gz QOANBOLPBFZVPR-UHFFFAOYSA-N -1 1 415.471 4.143 20 5 HIBDMM COc1ccc(-c2nsc([N-]C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)cc1 ZINC000532614424 931554527 /nfs/dbraw/zinc/55/45/27/931554527.db2.gz KYVOAWVIWGKONU-UHFFFAOYSA-N -1 1 424.360 4.393 20 5 HIBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cc(Br)cc2F)c1 ZINC000549010438 941142888 /nfs/dbraw/zinc/14/28/88/941142888.db2.gz SJRMGLHREQOPOK-UHFFFAOYSA-N -1 1 401.163 4.287 20 5 HIBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)c1 ZINC000549294529 941177808 /nfs/dbraw/zinc/17/78/08/941177808.db2.gz QLKJGQDYPJEOHS-UHFFFAOYSA-N -1 1 418.862 4.342 20 5 HIBDMM COc1ccc(C[C@@H](NCc2cc([O-])ccc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 ZINC000549510731 941197546 /nfs/dbraw/zinc/19/75/46/941197546.db2.gz QGFNGAHYZPIBRR-JOCHJYFZSA-N -1 1 408.454 4.391 20 5 HIBDMM CCc1cc(=O)[n-]c(S[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)n1 ZINC000436238029 861544672 /nfs/dbraw/zinc/54/46/72/861544672.db2.gz DPLYTXQARKIFDC-IBGZPJMESA-N -1 1 424.482 4.433 20 5 HIBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(C)C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000030532149 847729862 /nfs/dbraw/zinc/72/98/62/847729862.db2.gz FVLGRGXPNZXQOB-UHFFFAOYSA-N -1 1 414.867 4.092 20 5 HIBDMM Cc1csc(Nc2cccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)c2)n1 ZINC000060059890 851035491 /nfs/dbraw/zinc/03/54/91/851035491.db2.gz JNPMRJGXDNPCLU-UHFFFAOYSA-N -1 1 404.473 4.213 20 5 HIBDMM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(Cc3ccc(C)cc3)s2)c1 ZINC000078671315 852525094 /nfs/dbraw/zinc/52/50/94/852525094.db2.gz NUGYGYDKARQWMK-UHFFFAOYSA-N -1 1 400.485 4.320 20 5 HIBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCc1ccc(Cl)nc1 ZINC000301068888 854286122 /nfs/dbraw/zinc/28/61/22/854286122.db2.gz GPKCAHXANFEAMA-UHFFFAOYSA-N -1 1 418.862 4.056 20 5 HIBDMM O=C([O-])c1coc(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000426686975 856413114 /nfs/dbraw/zinc/41/31/14/856413114.db2.gz IDUPZAYCQMDLRM-UHFFFAOYSA-N -1 1 418.409 4.029 20 5 HIBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc([C@H]2CCCc3ccccc32)s1 ZINC000432577255 859235234 /nfs/dbraw/zinc/23/52/34/859235234.db2.gz YISRUXSYFVKBNE-HNNXBMFYSA-N -1 1 410.455 4.175 20 5 HIBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)[nH]n2)c1 ZINC000434978523 860584239 /nfs/dbraw/zinc/58/42/39/860584239.db2.gz WAVPZKKTVCJDNV-UHFFFAOYSA-N -1 1 413.242 4.093 20 5 HIBDMM COc1ccc(-c2nnc([N-]C(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])s2)cc1 ZINC000438950487 864422196 /nfs/dbraw/zinc/42/21/96/864422196.db2.gz QURHFFHIYFBKKJ-UHFFFAOYSA-N -1 1 404.835 4.336 20 5 HIBDMM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)[N-]c1nnc(Cc2cccc(F)c2)s1 ZINC000439110855 864547185 /nfs/dbraw/zinc/54/71/85/864547185.db2.gz JZYPXKDXKMBSGA-UHFFFAOYSA-N -1 1 406.826 4.390 20 5 HIBDMM C[C@H]1CCc2nc([N-]C(=O)c3sc(Br)cc3[N+](=O)[O-])sc2C1 ZINC000444825127 869033665 /nfs/dbraw/zinc/03/36/65/869033665.db2.gz KJFHLJZLSTWAIP-LURJTMIESA-N -1 1 402.295 4.252 20 5 HIBDMM COc1cccc2sc([N-]C(=O)c3sc(Br)cc3[N+](=O)[O-])nc21 ZINC000444825228 869035462 /nfs/dbraw/zinc/03/54/62/869035462.db2.gz BNWVHQLERSYAMU-UHFFFAOYSA-N -1 1 414.262 4.289 20 5 HIBDMM Cc1sc([C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nc1-c1ccc(Cl)cc1 ZINC000444999187 869153895 /nfs/dbraw/zinc/15/38/95/869153895.db2.gz URYQKZYZVKFAFN-VIFPVBQESA-N -1 1 418.862 4.272 20 5 HIBDMM CCOC(=O)c1cc(C)sc1[N-]C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000447372608 871280543 /nfs/dbraw/zinc/28/05/43/871280543.db2.gz INQARBSMYHOJNJ-UHFFFAOYSA-N -1 1 419.278 4.218 20 5 HIBDMM CC[C@H](C)Sc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(C)c1 ZINC000471137373 885679875 /nfs/dbraw/zinc/67/98/75/885679875.db2.gz PJNIUXJBWAHQJN-LBPRGKRZSA-N -1 1 424.500 4.293 20 5 HIBDMM CCCC1(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)CC1 ZINC000471173072 885731467 /nfs/dbraw/zinc/73/14/67/885731467.db2.gz OOHWHCOGYDNGMJ-UHFFFAOYSA-N -1 1 417.487 4.223 20 5 HIBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Br)c([N+](=O)[O-])c1 ZINC000477424896 892378613 /nfs/dbraw/zinc/37/86/13/892378613.db2.gz SMYMYZYQOYPMEZ-UHFFFAOYSA-N -1 1 405.657 4.120 20 5 HIBDMM O=[N+]([O-])c1cccc(-c2noc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)n2)c1 ZINC000505002193 913746433 /nfs/dbraw/zinc/74/64/33/913746433.db2.gz DRKCJRURRGVQTK-UHFFFAOYSA-N -1 1 422.422 4.113 20 5 HIBDMM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000481604643 896984836 /nfs/dbraw/zinc/98/48/36/896984836.db2.gz YZUZWKWHENYFQE-UHFFFAOYSA-N -1 1 411.867 4.014 20 5 HIBDMM COc1cc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)c([N+](=O)[O-])cc1OC ZINC000484777417 900188781 /nfs/dbraw/zinc/18/87/81/900188781.db2.gz PCBWHSCVFJBCOO-UHFFFAOYSA-N -1 1 420.834 4.036 20 5 HIBDMM CSc1cccc(C(=O)[N-]c2nnc(Cc3ccccc3F)s2)c1[N+](=O)[O-] ZINC000486223701 901407233 /nfs/dbraw/zinc/40/72/33/901407233.db2.gz ZDUYQKWFKUYIQP-UHFFFAOYSA-N -1 1 404.448 4.150 20 5 HIBDMM Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000491605757 904672618 /nfs/dbraw/zinc/67/26/18/904672618.db2.gz YTWOIDWAZMKJPA-UHFFFAOYSA-N -1 1 419.503 4.305 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccsc2)c2ccc(Cl)cc2)s1 ZINC000512779042 921309818 /nfs/dbraw/zinc/30/98/18/921309818.db2.gz MYUUHWWKSMCWMT-HNNXBMFYSA-N -1 1 414.917 4.439 20 5 HIBDMM Cc1cccc([C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccn2)c1 ZINC000497984007 907462042 /nfs/dbraw/zinc/46/20/42/907462042.db2.gz OXOONMHUGHOFCM-IBGZPJMESA-N -1 1 417.874 4.020 20 5 HIBDMM CCC[C@@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000498043188 907550449 /nfs/dbraw/zinc/55/04/49/907550449.db2.gz VMYIQKTXHYPHLR-CQSZACIVSA-N -1 1 405.476 4.079 20 5 HIBDMM O=[N+]([O-])c1cc(CNC2(c3nnn[n-]3)CCCC2)ccc1Oc1ccccc1Cl ZINC000499213557 908569844 /nfs/dbraw/zinc/56/98/44/908569844.db2.gz NJYUPWNFGUTWKD-UHFFFAOYSA-N -1 1 414.853 4.113 20 5 HIBDMM O=[N+]([O-])c1cc(CNC2(c3nn[n-]n3)CCCC2)ccc1Oc1ccccc1Cl ZINC000499213557 908569853 /nfs/dbraw/zinc/56/98/53/908569853.db2.gz NJYUPWNFGUTWKD-UHFFFAOYSA-N -1 1 414.853 4.113 20 5 HIBDMM O=C([N-]c1nnc(SCc2ccc(F)cc2)s1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000518285452 927143186 /nfs/dbraw/zinc/14/31/86/927143186.db2.gz MNONJHUHTIRDCL-UHFFFAOYSA-N -1 1 408.411 4.269 20 5 HIBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1Cl ZINC000534943910 932850582 /nfs/dbraw/zinc/85/05/82/932850582.db2.gz RFBBYQLCGJJLNC-UHFFFAOYSA-N -1 1 411.650 4.364 20 5 HIBDMM CC(C)OCCCCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000543976922 940281523 /nfs/dbraw/zinc/28/15/23/940281523.db2.gz VOWOPEYEQSJHPQ-UHFFFAOYSA-N -1 1 407.492 4.013 20 5 HIBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C(C)(C)c3ccccc3)s2)c1 ZINC000549296454 941177866 /nfs/dbraw/zinc/17/78/66/941177866.db2.gz XCKMMVFRLDFKCX-UHFFFAOYSA-N -1 1 412.471 4.423 20 5 HIBDMM COc1ccc(C[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])c2ccccc2)cc1OC ZINC000549928254 941240412 /nfs/dbraw/zinc/24/04/12/941240412.db2.gz LNYIVHMSFBPEOZ-FQEVSTJZSA-N -1 1 408.454 4.391 20 5 HIBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(NC(=O)c2cccs2)c1 ZINC000030530277 847729010 /nfs/dbraw/zinc/72/90/10/847729010.db2.gz WFHPCMPSRVZBDL-UHFFFAOYSA-N -1 1 417.468 4.018 20 5 HIBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccs3)cc2)cc1[N+](=O)[O-] ZINC000058177313 850777595 /nfs/dbraw/zinc/77/75/95/850777595.db2.gz YTTCPIXZZWGRLV-UHFFFAOYSA-N -1 1 417.468 4.018 20 5 HIBDMM O=[N+]([O-])c1cc(Cl)cnc1NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000301731484 854454454 /nfs/dbraw/zinc/45/44/54/854454454.db2.gz DTYPSVAWIHZRNE-UHFFFAOYSA-N -1 1 418.862 4.056 20 5 HIBDMM Cc1nc(C)c(CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])s1 ZINC000302648327 854597374 /nfs/dbraw/zinc/59/73/74/854597374.db2.gz JKTPJVRNGNJCSY-UHFFFAOYSA-N -1 1 418.500 4.081 20 5 HIBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)(C)C)ccc2C)c1C ZINC000303431448 854931517 /nfs/dbraw/zinc/93/15/17/854931517.db2.gz DUFSFUMIAQFCQJ-UHFFFAOYSA-N -1 1 419.503 4.305 20 5 HIBDMM Cc1ccc([C@@H]2OCCC[C@H]2C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000437696168 863033322 /nfs/dbraw/zinc/03/33/22/863033322.db2.gz KHENLSQNLSVCTM-YJBOKZPZSA-N -1 1 424.906 4.003 20 5 HIBDMM C[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(C(F)(F)F)c1 ZINC000467787101 881609768 /nfs/dbraw/zinc/60/97/68/881609768.db2.gz WPTBTDXITKOXKP-JTQLQIEISA-N -1 1 408.423 4.147 20 5 HIBDMM Cc1c(Br)cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1[N+](=O)[O-] ZINC000438761524 864255442 /nfs/dbraw/zinc/25/54/42/864255442.db2.gz BEYJPXVJYLQAHY-UHFFFAOYSA-N -1 1 421.219 4.404 20 5 HIBDMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000444393340 868806594 /nfs/dbraw/zinc/80/65/94/868806594.db2.gz QLEODAQUEKUSPG-UHFFFAOYSA-N -1 1 417.849 4.269 20 5 HIBDMM O=C([N-]c1nc(-c2ccccn2)cs1)c1sc(Br)cc1[N+](=O)[O-] ZINC000444839645 869045969 /nfs/dbraw/zinc/04/59/69/869045969.db2.gz ZJBANNYOITVCEU-UHFFFAOYSA-N -1 1 411.262 4.190 20 5 HIBDMM COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000445164653 869253208 /nfs/dbraw/zinc/25/32/08/869253208.db2.gz VVZOUWBOJYPFLG-TZIWHRDSSA-N -1 1 419.437 4.075 20 5 HIBDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nc(-c2ccc([O-])cc2F)no1 ZINC000445462036 869538179 /nfs/dbraw/zinc/53/81/79/869538179.db2.gz ZMKJCSJQEUMBSB-UHFFFAOYSA-N -1 1 412.299 4.163 20 5 HIBDMM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000447006001 870887252 /nfs/dbraw/zinc/88/72/52/870887252.db2.gz JOGZXYVBGNFIAC-UHFFFAOYSA-N -1 1 410.757 4.076 20 5 HIBDMM Cc1c(=O)[n-]c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000460430560 873094160 /nfs/dbraw/zinc/09/41/60/873094160.db2.gz UNFPLXWYJMLTFW-CYBMUJFWSA-N -1 1 410.455 4.185 20 5 HIBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(COC(C)(C)C)c2C)cc1[N+](=O)[O-] ZINC000476430904 891342987 /nfs/dbraw/zinc/34/29/87/891342987.db2.gz RDWXKUJLYFKYAF-UHFFFAOYSA-N -1 1 408.476 4.028 20 5 HIBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(-c2nc(C)co2)c1 ZINC000477413042 892366479 /nfs/dbraw/zinc/36/64/79/892366479.db2.gz MVJCJUXYJMZXIG-UHFFFAOYSA-N -1 1 401.444 4.230 20 5 HIBDMM Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000481960892 897350432 /nfs/dbraw/zinc/35/04/32/897350432.db2.gz NISSGRBFPUNGEZ-UHFFFAOYSA-N -1 1 419.503 4.305 20 5 HIBDMM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000505754746 914427727 /nfs/dbraw/zinc/42/77/27/914427727.db2.gz NHTMMRWFEXEKHP-UHFFFAOYSA-N -1 1 404.444 4.232 20 5 HIBDMM Cc1nc(-c2ccc(NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)nc2)[n-]c(=O)c1C ZINC000486019717 901227346 /nfs/dbraw/zinc/22/73/46/901227346.db2.gz WXZQMZQKJRIDIM-UHFFFAOYSA-N -1 1 419.363 4.400 20 5 HIBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1ccc(Oc2ccc(Cl)cc2)cn1 ZINC000488466098 902838936 /nfs/dbraw/zinc/83/89/36/902838936.db2.gz PGEFDPPDEHOLIH-UHFFFAOYSA-N -1 1 419.846 4.377 20 5 HIBDMM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)cc1SC ZINC000490299741 903887762 /nfs/dbraw/zinc/88/77/62/903887762.db2.gz JVFLXHMPIQSFTK-WAYWQWQTSA-N -1 1 418.456 4.193 20 5 HIBDMM CCC(CC)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000497483936 906965294 /nfs/dbraw/zinc/96/52/94/906965294.db2.gz SRYKEMKWMHULDE-UHFFFAOYSA-N -1 1 405.476 4.079 20 5 HIBDMM O=C([N-]c1nc(-c2cccs2)ns1)c1ccc([N+](=O)[O-])cc1Br ZINC000497979456 907454292 /nfs/dbraw/zinc/45/42/92/907454292.db2.gz FKIVWTLDHBEFPN-UHFFFAOYSA-N -1 1 411.262 4.190 20 5 HIBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000500522860 909904807 /nfs/dbraw/zinc/90/48/07/909904807.db2.gz DMKSACXDQAUKIY-LLVKDONJSA-N -1 1 423.903 4.411 20 5 HIBDMM C[C@H](Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])c1ccncc1F ZINC000509436920 918093166 /nfs/dbraw/zinc/09/31/66/918093166.db2.gz FNVOQZNYOAEXRQ-ZDUSSCGKSA-N -1 1 416.434 4.103 20 5 HIBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000509677471 918309681 /nfs/dbraw/zinc/30/96/81/918309681.db2.gz BFXMOHOUGRFQOW-GWCFXTLKSA-N -1 1 420.796 4.101 20 5 HIBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Cn2cnc3ccccc32)cc1 ZINC000521889052 929538271 /nfs/dbraw/zinc/53/82/71/929538271.db2.gz YSSWMHLBWOPTPN-UHFFFAOYSA-N -1 1 422.466 4.102 20 5 HIBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000525011181 929972067 /nfs/dbraw/zinc/97/20/67/929972067.db2.gz DSBFIJAOAFKFIR-UHFFFAOYSA-N -1 1 408.785 4.462 20 5 HIBDMM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)[N-]c1nnc(Cc2ccc(F)cc2)s1 ZINC000526130420 930541279 /nfs/dbraw/zinc/54/12/79/930541279.db2.gz MVYPRCJMSBYSKO-UHFFFAOYSA-N -1 1 406.826 4.390 20 5 HIBDMM O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000535833402 933421815 /nfs/dbraw/zinc/42/18/15/933421815.db2.gz RVSPITNUEWQMOA-UHFFFAOYSA-N -1 1 416.262 4.083 20 5 HIBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000538004998 938458675 /nfs/dbraw/zinc/45/86/75/938458675.db2.gz TXVQUIVEYFEERK-UHFFFAOYSA-N -1 1 406.794 4.267 20 5 HIBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000539557354 938879609 /nfs/dbraw/zinc/87/96/09/938879609.db2.gz PBHVFMGVWLOYIU-UKRRQHHQSA-N -1 1 417.487 4.079 20 5 HIBDMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000543858618 940213091 /nfs/dbraw/zinc/21/30/91/940213091.db2.gz OBMMGJLJDYKCNM-UHFFFAOYSA-N -1 1 410.757 4.076 20 5 HIBDMM COc1ccc(C[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 ZINC000549510735 941197566 /nfs/dbraw/zinc/19/75/66/941197566.db2.gz QGFNGAHYZPIBRR-QFIPXVFZSA-N -1 1 408.454 4.391 20 5 HIBDMM COc1ccc(-c2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc2OC(F)F)cc1 ZINC000559933022 944089730 /nfs/dbraw/zinc/08/97/30/944089730.db2.gz YPJINOYYVCUHMM-UHFFFAOYSA-N -1 1 403.341 4.452 20 5 HIBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1c(C)cc(Br)cc1Cl ZINC000436004706 861292159 /nfs/dbraw/zinc/29/21/59/861292159.db2.gz DXXCVLSOGRWMOW-UHFFFAOYSA-N -1 1 419.684 4.428 20 5 HIBDMM CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])s3)n2)cc(Br)c1[O-] ZINC000436771018 861963078 /nfs/dbraw/zinc/96/30/78/861963078.db2.gz RRGXAYFUUMWPHL-UHFFFAOYSA-N -1 1 412.221 4.240 20 5 HIBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000060738722 851200607 /nfs/dbraw/zinc/20/06/07/851200607.db2.gz ZUMAPAJSIINPJC-UHFFFAOYSA-N -1 1 412.402 4.078 20 5 HIBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(ccn3CC(C)C)c2)cc1[N+](=O)[O-] ZINC000065069795 852053859 /nfs/dbraw/zinc/05/38/59/852053859.db2.gz UUQMUWMWSRFRGS-UHFFFAOYSA-N -1 1 403.460 4.015 20 5 HIBDMM CC(C)n1c(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)n[n-]c1=S ZINC000097554966 852631083 /nfs/dbraw/zinc/63/10/83/852631083.db2.gz HZSMATRLMAMVGE-UHFFFAOYSA-N -1 1 409.899 4.103 20 5 HIBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)cc1[N+](=O)[O-] ZINC000427294452 856756495 /nfs/dbraw/zinc/75/64/95/856756495.db2.gz IQOJHJPNCQEDFW-UHFFFAOYSA-N -1 1 407.835 4.321 20 5 HIBDMM O=C(Nc1cc([O-])c(Br)cc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000431451984 858623730 /nfs/dbraw/zinc/62/37/30/858623730.db2.gz LRNGMJCHUUGMPL-UHFFFAOYSA-N -1 1 416.025 4.078 20 5 HIBDMM CSc1cccc([N-]S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 ZINC000438796628 864290096 /nfs/dbraw/zinc/29/00/96/864290096.db2.gz RGEJYMBLOHTMJN-UHFFFAOYSA-N -1 1 417.306 4.188 20 5 HIBDMM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)[N-]c1nnc(Cc2ccccc2F)s1 ZINC000439099248 864539868 /nfs/dbraw/zinc/53/98/68/864539868.db2.gz NFZBVSBLZQBHBA-UHFFFAOYSA-N -1 1 406.826 4.390 20 5 HIBDMM Cc1ccc2oc(CN(Cc3ccco3)C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2c1 ZINC000444970089 869133346 /nfs/dbraw/zinc/13/33/46/869133346.db2.gz UHFALHDGUTYFOG-UHFFFAOYSA-N -1 1 407.382 4.186 20 5 HIBDMM COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000445164651 869251870 /nfs/dbraw/zinc/25/18/70/869251870.db2.gz VVZOUWBOJYPFLG-FPOVZHCZSA-N -1 1 419.437 4.075 20 5 HIBDMM CSc1cc2c(cc1[N-]C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)OCCO2 ZINC000448212346 872113152 /nfs/dbraw/zinc/11/31/52/872113152.db2.gz HRHPQBCVFVGUCI-UHFFFAOYSA-N -1 1 414.361 4.359 20 5 HIBDMM O=C(Cc1cccc(F)c1)c1cc(Cl)cnc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000464712872 877938493 /nfs/dbraw/zinc/93/84/93/877938493.db2.gz RSUKBYMRDWXTLM-UHFFFAOYSA-N -1 1 403.753 4.053 20 5 HIBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1CCC(F)(F)F ZINC000464836501 878097614 /nfs/dbraw/zinc/09/76/14/878097614.db2.gz SDQZOPGAGSHVBU-UHFFFAOYSA-N -1 1 402.394 4.453 20 5 HIBDMM Cc1sc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000467056148 880845117 /nfs/dbraw/zinc/84/51/17/880845117.db2.gz GFJFYWRPWBIASI-LLVKDONJSA-N -1 1 412.386 4.076 20 5 HIBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2nc(C3CCC3)[nH]c2c1 ZINC000467426602 881216055 /nfs/dbraw/zinc/21/60/55/881216055.db2.gz GFIKYPPCCQVZMM-UHFFFAOYSA-N -1 1 406.851 4.193 20 5 HIBDMM C[C@H](CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])C(F)(F)F ZINC000475728714 890667337 /nfs/dbraw/zinc/66/73/37/890667337.db2.gz CKGYMXZRNUZUNY-LLVKDONJSA-N -1 1 403.382 4.006 20 5 HIBDMM COCCCC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000480609579 895975004 /nfs/dbraw/zinc/97/50/04/895975004.db2.gz LULVWVLIPOFOLL-INIZCTEOSA-N -1 1 412.895 4.085 20 5 HIBDMM CC[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000481016927 896348404 /nfs/dbraw/zinc/34/84/04/896348404.db2.gz KOCMCLKCTYZBJY-SNVBAGLBSA-N -1 1 423.438 4.117 20 5 HIBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(NC(=O)C(C)(C)C)ccc1C ZINC000481143002 896470072 /nfs/dbraw/zinc/47/00/72/896470072.db2.gz ODKRQTOVWBNEOV-UHFFFAOYSA-N -1 1 419.503 4.251 20 5 HIBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(COCc2ccco2)c1 ZINC000481975190 897367703 /nfs/dbraw/zinc/36/77/03/897367703.db2.gz FUPXLOUXISLEPR-UHFFFAOYSA-N -1 1 416.455 4.322 20 5 HIBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCC(F)(F)C2)c(C(F)(F)F)c1 ZINC000489986618 903713948 /nfs/dbraw/zinc/71/39/48/903713948.db2.gz UZHIAVLFJALIKN-SNVBAGLBSA-N -1 1 416.368 4.108 20 5 HIBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)cc1[N+](=O)[O-] ZINC000491583097 904662487 /nfs/dbraw/zinc/66/24/87/904662487.db2.gz GGOZDKPQOOVUOB-UHFFFAOYSA-N -1 1 422.513 4.015 20 5 HIBDMM COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc(OC)c1C(C)C ZINC000491810020 904698324 /nfs/dbraw/zinc/69/83/24/904698324.db2.gz JNNZPNOKMGJFQW-UHFFFAOYSA-N -1 1 408.476 4.153 20 5 HIBDMM Cc1sc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)cc1[N+](=O)[O-] ZINC000500467221 909874619 /nfs/dbraw/zinc/87/46/19/909874619.db2.gz FJWHRVYALBQOJF-UHFFFAOYSA-N -1 1 411.686 4.181 20 5 HIBDMM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc(-c2ccccc2Cl)on1 ZINC000506576255 915223073 /nfs/dbraw/zinc/22/30/73/915223073.db2.gz JCLLGNKCFJOWMO-UHFFFAOYSA-N -1 1 415.789 4.317 20 5 HIBDMM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(SCc2ccc(Cl)cc2)s1 ZINC000506687582 915363345 /nfs/dbraw/zinc/36/33/45/915363345.db2.gz CFEFDMPQPIOQBX-UHFFFAOYSA-N -1 1 421.891 4.348 20 5 HIBDMM COc1ccccc1-c1cccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000518422763 927259892 /nfs/dbraw/zinc/25/98/92/927259892.db2.gz UZXNVPUXCBNEDZ-UHFFFAOYSA-N -1 1 414.439 4.080 20 5 HIBDMM COc1cc(C(=O)Nc2cc(Cl)cc(C)c2[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000531351367 931027469 /nfs/dbraw/zinc/02/74/69/931027469.db2.gz CIJRRDMKJDZKOR-UHFFFAOYSA-N -1 1 402.737 4.125 20 5 HIBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1Cl ZINC000534206677 932331667 /nfs/dbraw/zinc/33/16/67/932331667.db2.gz IGSQGJAFQBIGCI-UHFFFAOYSA-N -1 1 411.650 4.364 20 5 HIBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1CCc2ccsc2C1 ZINC000535536510 933229369 /nfs/dbraw/zinc/22/93/69/933229369.db2.gz FMBWHKSOEXSQPH-UHFFFAOYSA-N -1 1 415.496 4.020 20 5 HIBDMM COC(=O)c1coc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2Sc2cccs2)c1 ZINC000546755260 940877542 /nfs/dbraw/zinc/87/75/42/940877542.db2.gz UBIHMYNFDSYLEI-UHFFFAOYSA-N -1 1 404.425 4.439 20 5 HIBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)c1 ZINC000548952555 941133243 /nfs/dbraw/zinc/13/32/43/941133243.db2.gz QEGYVYNZYCCBPT-UHFFFAOYSA-N -1 1 404.835 4.418 20 5 HIBDMM O=[N+]([O-])c1cccc(F)c1NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000561185103 944505681 /nfs/dbraw/zinc/50/56/81/944505681.db2.gz NVFUMLFFCGSPJE-UHFFFAOYSA-N -1 1 401.419 4.147 20 5 HIBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Br)cc3OC(F)F)no2)[n-]1 ZINC000574247295 948398835 /nfs/dbraw/zinc/39/88/35/948398835.db2.gz OKJDVWCPBUBKGW-UHFFFAOYSA-N -1 1 401.123 4.004 20 5 HIBDMM