smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CN(Cc1cccc([N+](=O)[O-])c1Br)CC1CC1 ZINC000236420743 949896877 /nfs/dbraw/zinc/89/68/77/949896877.db2.gz GERVJGPOXOYBLM-UHFFFAOYSA-N -1 1 343.177 2.654 20 5 EFBDMM O=C([O-])CN(Cc1c(Br)cccc1[N+](=O)[O-])CC1CC1 ZINC000844937858 955684395 /nfs/dbraw/zinc/68/43/95/955684395.db2.gz YNTHGUGZNDKPBP-UHFFFAOYSA-N -1 1 343.177 2.654 20 5 EFBDMM CC[C@]1(C(=O)[O-])CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001573822709 960979830 /nfs/dbraw/zinc/97/98/30/960979830.db2.gz ROBDMOVWAMSONU-INIZCTEOSA-N -1 1 332.360 2.548 20 5 EFBDMM COc1cc(CN2CCCC[C@@H]2CCC(=O)[O-])c([N+](=O)[O-])cc1F ZINC001604709498 973912076 /nfs/dbraw/zinc/91/20/76/973912076.db2.gz SFWQDRKAGXPXSA-GFCCVEGCSA-N -1 1 340.351 2.962 20 5 EFBDMM O=C([O-])CN(CCc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000738607395 978572806 /nfs/dbraw/zinc/57/28/06/978572806.db2.gz NFVYJPWNXMNZQM-UHFFFAOYSA-N -1 1 332.331 2.863 20 5 EFBDMM O=C([O-])c1ccc2c(c1)CCN(CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000903619161 980997262 /nfs/dbraw/zinc/99/72/62/980997262.db2.gz UFIRPIMTJVPPTE-UHFFFAOYSA-N -1 1 342.351 2.730 20 5 EFBDMM Cc1n[nH]c(C(F)F)c1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001599967665 985939114 /nfs/dbraw/zinc/93/91/14/985939114.db2.gz XWPARVWZDQJGHI-UHFFFAOYSA-N -1 1 340.242 2.514 20 5 EFBDMM CN1Cc2ccccc2[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001598630388 994164296 /nfs/dbraw/zinc/16/42/96/994164296.db2.gz GXKGNTRIBDZQLE-HNNXBMFYSA-N -1 1 327.340 2.892 20 5 EFBDMM CC(C)(C)n1cc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cn1 ZINC001593311548 994784017 /nfs/dbraw/zinc/78/40/17/994784017.db2.gz HSHFVFOQYZMATM-QGZVFWFLSA-N -1 1 346.387 2.636 20 5 EFBDMM COc1ccc([C@H](NCc2ccc([N+](=O)[O-])cc2)C(=O)[O-])c(OC)c1 ZINC001599533283 997697826 /nfs/dbraw/zinc/69/78/26/997697826.db2.gz YVQLZBIIMYBIMT-INIZCTEOSA-N -1 1 346.339 2.528 20 5 EFBDMM CC(C)C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCO1 ZINC001589571229 1093107976 /nfs/dbraw/zinc/10/79/76/1093107976.db2.gz GZYNXTCZSGHYQM-QWHCGFSZSA-N -1 1 346.391 2.781 20 5 EFBDMM CC(C)OC1(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCC1 ZINC001589738426 1093129613 /nfs/dbraw/zinc/12/96/13/1093129613.db2.gz WBHFZHZUYGIIQT-UHFFFAOYSA-N -1 1 332.364 2.535 20 5 EFBDMM CC(C)OC1(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCC1 ZINC001589738426 1093129620 /nfs/dbraw/zinc/12/96/20/1093129620.db2.gz WBHFZHZUYGIIQT-UHFFFAOYSA-N -1 1 332.364 2.535 20 5 EFBDMM C[C@H](CCc1cccn1C)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589836310 1093157985 /nfs/dbraw/zinc/15/79/85/1093157985.db2.gz MBDRPVFYMHSABD-LLVKDONJSA-N -1 1 341.375 2.547 20 5 EFBDMM C[C@H](CCc1cccn1C)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589836310 1093157987 /nfs/dbraw/zinc/15/79/87/1093157987.db2.gz MBDRPVFYMHSABD-LLVKDONJSA-N -1 1 341.375 2.547 20 5 EFBDMM C[C@H](CN(C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])C1CCCCC1 ZINC001589847070 1093158249 /nfs/dbraw/zinc/15/82/49/1093158249.db2.gz ZAAIKLJKMLUZBV-LLVKDONJSA-N -1 1 345.407 2.823 20 5 EFBDMM C[C@H](CN(C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])C1CCCCC1 ZINC001589847070 1093158252 /nfs/dbraw/zinc/15/82/52/1093158252.db2.gz ZAAIKLJKMLUZBV-LLVKDONJSA-N -1 1 345.407 2.823 20 5 EFBDMM C[C@H](Cc1ccccc1F)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589899693 1093172653 /nfs/dbraw/zinc/17/26/53/1093172653.db2.gz OMDWYACZXOVSDX-SNVBAGLBSA-N -1 1 342.334 2.957 20 5 EFBDMM C[C@H](Cc1ccccc1F)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001589899693 1093172658 /nfs/dbraw/zinc/17/26/58/1093172658.db2.gz OMDWYACZXOVSDX-SNVBAGLBSA-N -1 1 342.334 2.957 20 5 EFBDMM CC(C)(CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)C(C)(F)F ZINC001589906505 1093176421 /nfs/dbraw/zinc/17/64/21/1093176421.db2.gz IFIFKJXTZMHYSU-UHFFFAOYSA-N -1 1 326.307 2.868 20 5 EFBDMM CC(C)(CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)C(C)(F)F ZINC001589906505 1093176438 /nfs/dbraw/zinc/17/64/38/1093176438.db2.gz IFIFKJXTZMHYSU-UHFFFAOYSA-N -1 1 326.307 2.868 20 5 EFBDMM C[C@H]1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC12CCC2 ZINC001590274461 1093356867 /nfs/dbraw/zinc/35/68/67/1093356867.db2.gz LJSGGNASPRQUGC-NSHDSACASA-N -1 1 328.376 2.791 20 5 EFBDMM C[C@H]1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC12CCC2 ZINC001590275068 1093357179 /nfs/dbraw/zinc/35/71/79/1093357179.db2.gz UHRCEGZNSODLFE-NSHDSACASA-N -1 1 328.376 2.791 20 5 EFBDMM C[C@H]1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC12CCC2 ZINC001590275068 1093357187 /nfs/dbraw/zinc/35/71/87/1093357187.db2.gz UHRCEGZNSODLFE-NSHDSACASA-N -1 1 328.376 2.791 20 5 EFBDMM C/C=C/CNc1cc(NC/C=C\C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590352939 1093386116 /nfs/dbraw/zinc/38/61/16/1093386116.db2.gz DPDVVSHJSKCOAX-CIIODKQPSA-N -1 1 329.364 2.751 20 5 EFBDMM C/C=C/CNc1cc(NC/C=C\C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590352939 1093386124 /nfs/dbraw/zinc/38/61/24/1093386124.db2.gz DPDVVSHJSKCOAX-CIIODKQPSA-N -1 1 329.364 2.751 20 5 EFBDMM CC[C@H](C)[C@H](CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)OC ZINC001590399547 1093403697 /nfs/dbraw/zinc/40/36/97/1093403697.db2.gz JKQVTBKPRPICDF-ZANVPECISA-N -1 1 334.380 2.556 20 5 EFBDMM CC[C@H](C)[C@H](CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)OC ZINC001590399547 1093403700 /nfs/dbraw/zinc/40/37/00/1093403700.db2.gz JKQVTBKPRPICDF-ZANVPECISA-N -1 1 334.380 2.556 20 5 EFBDMM CC[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccncc1 ZINC001590473999 1093445959 /nfs/dbraw/zinc/44/59/59/1093445959.db2.gz VGGHPHLTEGCTCE-CYBMUJFWSA-N -1 1 325.332 2.733 20 5 EFBDMM CC[C@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC001590472940 1093446287 /nfs/dbraw/zinc/44/62/87/1093446287.db2.gz XCCBGMINWSXKOT-WCBMZHEXSA-N -1 1 338.393 2.596 20 5 EFBDMM CC[C@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC001590472940 1093446290 /nfs/dbraw/zinc/44/62/90/1093446290.db2.gz XCCBGMINWSXKOT-WCBMZHEXSA-N -1 1 338.393 2.596 20 5 EFBDMM CCC[C@H](O)CCCSc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590559188 1093486024 /nfs/dbraw/zinc/48/60/24/1093486024.db2.gz DARSMZCJRYIARW-QMMMGPOBSA-N -1 1 343.434 2.870 20 5 EFBDMM CCC[C@H](O)CCCSc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590559188 1093486026 /nfs/dbraw/zinc/48/60/26/1093486026.db2.gz DARSMZCJRYIARW-QMMMGPOBSA-N -1 1 343.434 2.870 20 5 EFBDMM CCCCCN(CCCOC)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590596566 1093505388 /nfs/dbraw/zinc/50/53/88/1093505388.db2.gz NNTVFOFUHNUILO-UHFFFAOYSA-N -1 1 348.407 2.808 20 5 EFBDMM CCCc1nc(C)c(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])o1 ZINC001590660399 1093532063 /nfs/dbraw/zinc/53/20/63/1093532063.db2.gz LDZTUQYVRPQJHV-UHFFFAOYSA-N -1 1 343.347 2.636 20 5 EFBDMM CCCc1nc(C)c(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])o1 ZINC001590660399 1093532068 /nfs/dbraw/zinc/53/20/68/1093532068.db2.gz LDZTUQYVRPQJHV-UHFFFAOYSA-N -1 1 343.347 2.636 20 5 EFBDMM CCO[C@@H]1C[C@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C12CCC2 ZINC001590795676 1093576333 /nfs/dbraw/zinc/57/63/33/1093576333.db2.gz YWSUNJNVGJYIHC-QWHCGFSZSA-N -1 1 344.375 2.535 20 5 EFBDMM CCO[C@@H]1C[C@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C12CCC2 ZINC001590795676 1093576338 /nfs/dbraw/zinc/57/63/38/1093576338.db2.gz YWSUNJNVGJYIHC-QWHCGFSZSA-N -1 1 344.375 2.535 20 5 EFBDMM CCOc1cccc(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001590841601 1093594040 /nfs/dbraw/zinc/59/40/40/1093594040.db2.gz XESCJLAPSXNGCN-UHFFFAOYSA-N -1 1 340.343 2.786 20 5 EFBDMM CCOc1cccc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001590841601 1093594046 /nfs/dbraw/zinc/59/40/46/1093594046.db2.gz XESCJLAPSXNGCN-UHFFFAOYSA-N -1 1 340.343 2.786 20 5 EFBDMM CN(CCc1ccccc1F)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591122377 1093664445 /nfs/dbraw/zinc/66/44/45/1093664445.db2.gz OTFZQQMOLYJDDR-UHFFFAOYSA-N -1 1 342.334 2.593 20 5 EFBDMM CN(CCc1ccccc1F)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591122377 1093664449 /nfs/dbraw/zinc/66/44/49/1093664449.db2.gz OTFZQQMOLYJDDR-UHFFFAOYSA-N -1 1 342.334 2.593 20 5 EFBDMM CN(Cc1c(F)cccc1F)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591127036 1093665379 /nfs/dbraw/zinc/66/53/79/1093665379.db2.gz SWECQKKUFTZBOW-UHFFFAOYSA-N -1 1 346.297 2.690 20 5 EFBDMM CN(c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)C1CC(OC(C)(C)C)C1 ZINC001591154737 1093675902 /nfs/dbraw/zinc/67/59/02/1093675902.db2.gz HKGBVRIETQKDMQ-UHFFFAOYSA-N -1 1 346.391 2.557 20 5 EFBDMM CO[C@@H](CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001591328898 1093693660 /nfs/dbraw/zinc/69/36/60/1093693660.db2.gz MDGRBUPIBJVGRL-AWEZNQCLSA-N -1 1 346.391 2.700 20 5 EFBDMM CO[C@@H](CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001591328898 1093693663 /nfs/dbraw/zinc/69/36/63/1093693663.db2.gz MDGRBUPIBJVGRL-AWEZNQCLSA-N -1 1 346.391 2.700 20 5 EFBDMM CO[C@H](CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC001591329343 1093694100 /nfs/dbraw/zinc/69/41/00/1093694100.db2.gz PGYHMAZUMYCYGB-OAHLLOKOSA-N -1 1 346.391 2.782 20 5 EFBDMM COCC1(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCCCC1 ZINC001591388641 1093712340 /nfs/dbraw/zinc/71/23/40/1093712340.db2.gz HENRCMDTLKIFML-UHFFFAOYSA-N -1 1 346.391 2.784 20 5 EFBDMM COCC1(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCCCC1 ZINC001591388641 1093712347 /nfs/dbraw/zinc/71/23/47/1093712347.db2.gz HENRCMDTLKIFML-UHFFFAOYSA-N -1 1 346.391 2.784 20 5 EFBDMM CS[C@@H]1CC[C@@H](Nc2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001591689731 1093827487 /nfs/dbraw/zinc/82/74/87/1093827487.db2.gz HNIPMYZABPZXFM-MWLCHTKSSA-N -1 1 334.405 2.779 20 5 EFBDMM CS[C@@H]1CC[C@@H](Nc2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001591689731 1093827491 /nfs/dbraw/zinc/82/74/91/1093827491.db2.gz HNIPMYZABPZXFM-MWLCHTKSSA-N -1 1 334.405 2.779 20 5 EFBDMM C[C@H]1c2ccccc2CN1c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591776180 1093856098 /nfs/dbraw/zinc/85/60/98/1093856098.db2.gz NTBIACYNRYXIPL-QMMMGPOBSA-N -1 1 328.357 2.918 20 5 EFBDMM C[C@H]1c2ccccc2CN1c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591776180 1093856101 /nfs/dbraw/zinc/85/61/01/1093856101.db2.gz NTBIACYNRYXIPL-QMMMGPOBSA-N -1 1 328.357 2.918 20 5 EFBDMM Cc1c(Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cnn1CC(C)C ZINC001591828246 1093874697 /nfs/dbraw/zinc/87/46/97/1093874697.db2.gz BXWIMOURXREBLE-UHFFFAOYSA-N -1 1 348.392 2.741 20 5 EFBDMM Cc1c(Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cnn1CC(C)C ZINC001591828246 1093874702 /nfs/dbraw/zinc/87/47/02/1093874702.db2.gz BXWIMOURXREBLE-UHFFFAOYSA-N -1 1 348.392 2.741 20 5 EFBDMM Cc1c(Oc2nc(Cl)c(-c3nnn[n-]3)s2)cccc1[N+](=O)[O-] ZINC001591830612 1093875794 /nfs/dbraw/zinc/87/57/94/1093875794.db2.gz LLKHWFFMRCZFSI-UHFFFAOYSA-N -1 1 338.736 2.986 20 5 EFBDMM Cc1c(Oc2nc(Cl)c(-c3nn[n-]n3)s2)cccc1[N+](=O)[O-] ZINC001591830612 1093875800 /nfs/dbraw/zinc/87/58/00/1093875800.db2.gz LLKHWFFMRCZFSI-UHFFFAOYSA-N -1 1 338.736 2.986 20 5 EFBDMM Cc1cc(C)c([C@@H](C)n2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)c(C)c1 ZINC001591948040 1093928808 /nfs/dbraw/zinc/92/88/08/1093928808.db2.gz XZOBDSRPOOCJEK-LLVKDONJSA-N -1 1 327.348 2.506 20 5 EFBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591974862 1093942502 /nfs/dbraw/zinc/94/25/02/1093942502.db2.gz YWVCWCFTICOKHU-UHFFFAOYSA-N -1 1 349.690 2.549 20 5 EFBDMM Cc1cc(N2CCC(F)(F)C[C@H]2C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592001959 1093952288 /nfs/dbraw/zinc/95/22/88/1093952288.db2.gz RRZPLWPHZILPAC-SECBINFHSA-N -1 1 338.318 2.707 20 5 EFBDMM Cc1cc(N2CCC(F)(F)C[C@H]2C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592001959 1093952293 /nfs/dbraw/zinc/95/22/93/1093952293.db2.gz RRZPLWPHZILPAC-SECBINFHSA-N -1 1 338.318 2.707 20 5 EFBDMM Cc1cc(NC[C@@]2(C)CCCS2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592042464 1093965294 /nfs/dbraw/zinc/96/52/94/1093965294.db2.gz GTAAELOXOTVWGU-CQSZACIVSA-N -1 1 334.405 2.781 20 5 EFBDMM Cc1cc(NC[C@@]2(C)CCCS2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592042464 1093965300 /nfs/dbraw/zinc/96/53/00/1093965300.db2.gz GTAAELOXOTVWGU-CQSZACIVSA-N -1 1 334.405 2.781 20 5 EFBDMM Cc1cc2n[nH]cc2cc1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001592070315 1093974488 /nfs/dbraw/zinc/97/44/88/1093974488.db2.gz MPALEUICUHJIBW-UHFFFAOYSA-N -1 1 342.344 2.765 20 5 EFBDMM Cc1cc2n[nH]cc2cc1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001592070315 1093974493 /nfs/dbraw/zinc/97/44/93/1093974493.db2.gz MPALEUICUHJIBW-UHFFFAOYSA-N -1 1 342.344 2.765 20 5 EFBDMM Cc1cccc(OCCNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001592238476 1094044808 /nfs/dbraw/zinc/04/48/08/1094044808.db2.gz XUBXCMOLCROVQY-UHFFFAOYSA-N -1 1 340.343 2.574 20 5 EFBDMM Cc1cccc(OCCNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001592238476 1094044815 /nfs/dbraw/zinc/04/48/15/1094044815.db2.gz XUBXCMOLCROVQY-UHFFFAOYSA-N -1 1 340.343 2.574 20 5 EFBDMM Nc1cc(NCC[C@H]2CC=CCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759459 1094186062 /nfs/dbraw/zinc/18/60/62/1094186062.db2.gz BRKRLDXZWORFEG-JTQLQIEISA-N -1 1 329.364 2.515 20 5 EFBDMM Nc1cc(NCC[C@H]2CC=CCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759459 1094186064 /nfs/dbraw/zinc/18/60/64/1094186064.db2.gz BRKRLDXZWORFEG-JTQLQIEISA-N -1 1 329.364 2.515 20 5 EFBDMM Nc1cc(NCC2(C3CCC3)CCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759990 1094186076 /nfs/dbraw/zinc/18/60/76/1094186076.db2.gz NZSINGLXBYRRTA-UHFFFAOYSA-N -1 1 343.391 2.739 20 5 EFBDMM Nc1cc(NCC2(C3CCC3)CCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759990 1094186077 /nfs/dbraw/zinc/18/60/77/1094186077.db2.gz NZSINGLXBYRRTA-UHFFFAOYSA-N -1 1 343.391 2.739 20 5 EFBDMM O=[N+]([O-])c1c(NCCOC2CCCCC2)cccc1-c1nnn[n-]1 ZINC001593464968 1094308484 /nfs/dbraw/zinc/30/84/84/1094308484.db2.gz CTUMXVBVCOWMAM-UHFFFAOYSA-N -1 1 332.364 2.536 20 5 EFBDMM O=[N+]([O-])c1c(NCCOC2CCCCC2)cccc1-c1nn[n-]n1 ZINC001593464968 1094308491 /nfs/dbraw/zinc/30/84/91/1094308491.db2.gz CTUMXVBVCOWMAM-UHFFFAOYSA-N -1 1 332.364 2.536 20 5 EFBDMM O=[N+]([O-])c1c(N[C@@H]2C[C@@]2(F)c2ccccc2)cccc1-c1nnn[n-]1 ZINC001593465467 1094309144 /nfs/dbraw/zinc/30/91/44/1094309144.db2.gz PFHQSHAFGVBUPM-CZUORRHYSA-N -1 1 340.318 2.824 20 5 EFBDMM O=[N+]([O-])c1c(N[C@@H]2C[C@@]2(F)c2ccccc2)cccc1-c1nn[n-]n1 ZINC001593465467 1094309148 /nfs/dbraw/zinc/30/91/48/1094309148.db2.gz PFHQSHAFGVBUPM-CZUORRHYSA-N -1 1 340.318 2.824 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC(Cc2cccs2)C1 ZINC001593466545 1094309253 /nfs/dbraw/zinc/30/92/53/1094309253.db2.gz JFBZZVXCWWMXKA-UHFFFAOYSA-N -1 1 342.384 2.515 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC(Cc2cccs2)C1 ZINC001593466545 1094309259 /nfs/dbraw/zinc/30/92/59/1094309259.db2.gz JFBZZVXCWWMXKA-UHFFFAOYSA-N -1 1 342.384 2.515 20 5 EFBDMM O=[N+]([O-])c1c(NC[C@@H]2CCCC3(CCC3)O2)cccc1-c1nnn[n-]1 ZINC001593465052 1094309957 /nfs/dbraw/zinc/30/99/57/1094309957.db2.gz HCYVGBQRUMHLIL-NSHDSACASA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1c(NC[C@@H]2CCCC3(CCC3)O2)cccc1-c1nn[n-]n1 ZINC001593465052 1094309965 /nfs/dbraw/zinc/30/99/65/1094309965.db2.gz HCYVGBQRUMHLIL-NSHDSACASA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1Cc2ccccc2C2(CC2)C1 ZINC001593466583 1094310118 /nfs/dbraw/zinc/31/01/18/1094310118.db2.gz SQUVEOHEBYKIHQ-UHFFFAOYSA-N -1 1 348.366 2.827 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1Cc2ccccc2C2(CC2)C1 ZINC001593466583 1094310124 /nfs/dbraw/zinc/31/01/24/1094310124.db2.gz SQUVEOHEBYKIHQ-UHFFFAOYSA-N -1 1 348.366 2.827 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001593467298 1094312439 /nfs/dbraw/zinc/31/24/39/1094312439.db2.gz WBAAPHVWMVYWHE-ACJLOTCBSA-N -1 1 348.366 2.553 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001593467298 1094312448 /nfs/dbraw/zinc/31/24/48/1094312448.db2.gz WBAAPHVWMVYWHE-ACJLOTCBSA-N -1 1 348.366 2.553 20 5 EFBDMM O=[N+]([O-])c1cc(N2CCC[C@H]2c2ccncc2)ccc1-c1nn[n-]n1 ZINC001593470667 1094315292 /nfs/dbraw/zinc/31/52/92/1094315292.db2.gz HDDYJOCMNDEMOM-AWEZNQCLSA-N -1 1 337.343 2.511 20 5 EFBDMM O=[N+]([O-])c1cc(NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)ccc1-c1nn[n-]n1 ZINC001593473688 1094318158 /nfs/dbraw/zinc/31/81/58/1094318158.db2.gz JNBWLQDGNJEVLJ-UXLLHSPISA-N -1 1 348.366 2.773 20 5 EFBDMM O=[N+]([O-])c1cc(N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)ccc1-c1nn[n-]n1 ZINC001593473479 1094318265 /nfs/dbraw/zinc/31/82/65/1094318265.db2.gz DSXFHGQAQULCOA-PPKCKEKNSA-N -1 1 336.302 2.621 20 5 EFBDMM O=[N+]([O-])c1cc(NCCCOc2ccccc2)ccc1-c1nn[n-]n1 ZINC001593473498 1094318380 /nfs/dbraw/zinc/31/83/80/1094318380.db2.gz FUFBXYYJUBYRHO-UHFFFAOYSA-N -1 1 340.343 2.656 20 5 EFBDMM O=[N+]([O-])c1cc(NC[C@H]2CCC3(CCCC3)O2)ccc1-c1nn[n-]n1 ZINC001593473465 1094318703 /nfs/dbraw/zinc/31/87/03/1094318703.db2.gz DHOIFUKDIZHYDE-GFCCVEGCSA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@H]2CCCC23CCOCC3)cc1-c1nnn[n-]1 ZINC001593478224 1094322899 /nfs/dbraw/zinc/32/28/99/1094322899.db2.gz RNCXEJKQAXHVPL-AWEZNQCLSA-N -1 1 344.375 2.536 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@H]2CCCC23CCOCC3)cc1-c1nn[n-]n1 ZINC001593478224 1094322909 /nfs/dbraw/zinc/32/29/09/1094322909.db2.gz RNCXEJKQAXHVPL-AWEZNQCLSA-N -1 1 344.375 2.536 20 5 EFBDMM O=[N+]([O-])c1ccc2[nH]c(Oc3cccc(F)c3-c3nnn[n-]3)nc2c1 ZINC001593479548 1094323201 /nfs/dbraw/zinc/32/32/01/1094323201.db2.gz KAZMFVIEAMKPJQ-UHFFFAOYSA-N -1 1 341.262 2.583 20 5 EFBDMM O=[N+]([O-])c1ccc2[nH]c(Oc3cccc(F)c3-c3nn[n-]n3)nc2c1 ZINC001593479548 1094323208 /nfs/dbraw/zinc/32/32/08/1094323208.db2.gz KAZMFVIEAMKPJQ-UHFFFAOYSA-N -1 1 341.262 2.583 20 5 EFBDMM O=[N+]([O-])c1ccc(Oc2ccnc(-c3nnn[n-]3)c2)c2cccnc21 ZINC001593482459 1094326443 /nfs/dbraw/zinc/32/64/43/1094326443.db2.gz UUAMYVJURAFFDP-UHFFFAOYSA-N -1 1 335.283 2.510 20 5 EFBDMM O=[N+]([O-])c1ccc(Oc2ccnc(-c3nn[n-]n3)c2)c2cccnc21 ZINC001593482459 1094326449 /nfs/dbraw/zinc/32/64/49/1094326449.db2.gz UUAMYVJURAFFDP-UHFFFAOYSA-N -1 1 335.283 2.510 20 5 EFBDMM O=[N+]([O-])c1ccc(OCCSCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC001593481800 1094326657 /nfs/dbraw/zinc/32/66/57/1094326657.db2.gz JNTAQCDCRHCQAJ-UHFFFAOYSA-N -1 1 347.356 2.680 20 5 EFBDMM O=[N+]([O-])c1ccc(OCCSCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC001593481800 1094326668 /nfs/dbraw/zinc/32/66/68/1094326668.db2.gz JNTAQCDCRHCQAJ-UHFFFAOYSA-N -1 1 347.356 2.680 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1Oc1cc(F)cc(F)c1 ZINC001593487733 1094328479 /nfs/dbraw/zinc/32/84/79/1094328479.db2.gz HAZUUWXALZUBBG-UHFFFAOYSA-N -1 1 325.256 2.907 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1Oc1cc(F)cc(F)c1 ZINC001593487733 1094328488 /nfs/dbraw/zinc/32/84/88/1094328488.db2.gz HAZUUWXALZUBBG-UHFFFAOYSA-N -1 1 325.256 2.907 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001593487707 1094328645 /nfs/dbraw/zinc/32/86/45/1094328645.db2.gz FQLOHOZRAYUJCG-VHSXEESVSA-N -1 1 346.347 2.944 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001593487707 1094328655 /nfs/dbraw/zinc/32/86/55/1094328655.db2.gz FQLOHOZRAYUJCG-VHSXEESVSA-N -1 1 346.347 2.944 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NC[C@H]1CCCC1(F)F ZINC001593489274 1094332118 /nfs/dbraw/zinc/33/21/18/1094332118.db2.gz YWCQNHHBSOEYEZ-ZCFIWIBFSA-N -1 1 330.320 2.684 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NC[C@H]1CCCC1(F)F ZINC001593489274 1094332124 /nfs/dbraw/zinc/33/21/24/1094332124.db2.gz YWCQNHHBSOEYEZ-ZCFIWIBFSA-N -1 1 330.320 2.684 20 5 EFBDMM Cc1c(CN[C@](C)(CC(=O)[O-])c2ccccn2)cccc1[N+](=O)[O-] ZINC001600013130 1094720842 /nfs/dbraw/zinc/72/08/42/1094720842.db2.gz AUDOIKVVFOKJPF-QGZVFWFLSA-N -1 1 329.356 2.778 20 5 EFBDMM O=C([O-])c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1Cl ZINC001601595167 1095750331 /nfs/dbraw/zinc/75/03/31/1095750331.db2.gz FMNCPSHUOMKSAA-UHFFFAOYSA-N -1 1 336.687 2.904 20 5 EFBDMM O=C([O-])[C@H]1[C@@H](CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1(F)F ZINC001601748744 1095885665 /nfs/dbraw/zinc/88/56/65/1095885665.db2.gz IRKMODAWGGEQJG-CHWSQXEVSA-N -1 1 326.299 2.525 20 5 EFBDMM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001601757751 1095891719 /nfs/dbraw/zinc/89/17/19/1095891719.db2.gz ZHWPTZHOMKOGIN-YACGNSKGSA-N -1 1 326.299 2.558 20 5 EFBDMM O=C([O-])CC1CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC001601956915 1095993606 /nfs/dbraw/zinc/99/36/06/1095993606.db2.gz QJLNYHBDPNQADG-UHFFFAOYSA-N -1 1 344.371 2.603 20 5 EFBDMM O=C([O-])c1cc(-c2nc(-c3ccc(O)c(F)c3)no2)cc([N+](=O)[O-])c1 ZINC001602236222 1096131568 /nfs/dbraw/zinc/13/15/68/1096131568.db2.gz KDIDWSJFUDMYBB-UHFFFAOYSA-N -1 1 345.242 2.855 20 5 EFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN[C@@H](CCO)c2ccccc2)c1 ZINC001602404125 1096224339 /nfs/dbraw/zinc/22/43/39/1096224339.db2.gz QWLRKXRPMDDGON-HNNXBMFYSA-N -1 1 330.340 2.506 20 5 EFBDMM CC(C)(C)OC1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001603100719 1096441121 /nfs/dbraw/zinc/44/11/21/1096441121.db2.gz CSIYFYOCGUJHLM-UHFFFAOYSA-N -1 1 346.391 2.559 20 5 EFBDMM CC(C)(C)OC1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001603100719 1096441126 /nfs/dbraw/zinc/44/11/26/1096441126.db2.gz CSIYFYOCGUJHLM-UHFFFAOYSA-N -1 1 346.391 2.559 20 5 EFBDMM CC(C)(CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])CC(F)F ZINC001603150955 1096460988 /nfs/dbraw/zinc/46/09/88/1096460988.db2.gz AEVBZRDVZJIFJF-UHFFFAOYSA-N -1 1 326.307 2.868 20 5 EFBDMM CC(C)(CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])CC(F)F ZINC001603150955 1096460991 /nfs/dbraw/zinc/46/09/91/1096460991.db2.gz AEVBZRDVZJIFJF-UHFFFAOYSA-N -1 1 326.307 2.868 20 5 EFBDMM CC(C)[C@@H]1C[C@H](CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCO1 ZINC001603241410 1096482077 /nfs/dbraw/zinc/48/20/77/1096482077.db2.gz RIJSETFEXGXLRJ-ABAIWWIYSA-N -1 1 346.391 2.638 20 5 EFBDMM CC(C)[C@@H]1C[C@H](CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCO1 ZINC001603241410 1096482083 /nfs/dbraw/zinc/48/20/83/1096482083.db2.gz RIJSETFEXGXLRJ-ABAIWWIYSA-N -1 1 346.391 2.638 20 5 EFBDMM CC(C)C[C@@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001603272489 1096491053 /nfs/dbraw/zinc/49/10/53/1096491053.db2.gz QEQXCLKFZONQNK-NWDGAFQWSA-N -1 1 346.391 2.781 20 5 EFBDMM CC(C)C[C@@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001603272489 1096491057 /nfs/dbraw/zinc/49/10/57/1096491057.db2.gz QEQXCLKFZONQNK-NWDGAFQWSA-N -1 1 346.391 2.781 20 5 EFBDMM CC1(C)CCC[C@H](CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)O1 ZINC001603773771 1096622159 /nfs/dbraw/zinc/62/21/59/1096622159.db2.gz HVQATKLGCZXMPW-LLVKDONJSA-N -1 1 332.364 2.535 20 5 EFBDMM CC1(C)CCC[C@H](CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)O1 ZINC001603773771 1096622165 /nfs/dbraw/zinc/62/21/65/1096622165.db2.gz HVQATKLGCZXMPW-LLVKDONJSA-N -1 1 332.364 2.535 20 5 EFBDMM C[C@@H]1CC[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC001603879087 1096654268 /nfs/dbraw/zinc/65/42/68/1096654268.db2.gz BEQGHTJICZQISW-ZDMBXUJBSA-N -1 1 331.380 2.594 20 5 EFBDMM C[C@@H]1CC[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC001603879087 1096654273 /nfs/dbraw/zinc/65/42/73/1096654273.db2.gz BEQGHTJICZQISW-ZDMBXUJBSA-N -1 1 331.380 2.594 20 5 EFBDMM C[C@@H]1CCCC[C@@H]1OCCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001603890933 1096660873 /nfs/dbraw/zinc/66/08/73/1096660873.db2.gz OSQPVNCFXNDIQJ-RISCZKNCSA-N -1 1 346.391 2.782 20 5 EFBDMM C[C@@H]1CCCC[C@@H]1OCCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001603890933 1096660877 /nfs/dbraw/zinc/66/08/77/1096660877.db2.gz OSQPVNCFXNDIQJ-RISCZKNCSA-N -1 1 346.391 2.782 20 5 EFBDMM C[C@@H]1c2sccc2CCN1c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603958855 1096682525 /nfs/dbraw/zinc/68/25/25/1096682525.db2.gz QRZMIZKXUVSHRY-SECBINFHSA-N -1 1 342.384 2.960 20 5 EFBDMM C[C@@H]1c2sccc2CCN1c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603958855 1096682530 /nfs/dbraw/zinc/68/25/30/1096682530.db2.gz QRZMIZKXUVSHRY-SECBINFHSA-N -1 1 342.384 2.960 20 5 EFBDMM CCC(CC)(CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)OC ZINC001604019047 1096701311 /nfs/dbraw/zinc/70/13/11/1096701311.db2.gz CHTMKWHIPQIXLG-UHFFFAOYSA-N -1 1 334.380 2.700 20 5 EFBDMM CCC(CC)(CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)OC ZINC001604019047 1096701317 /nfs/dbraw/zinc/70/13/17/1096701317.db2.gz CHTMKWHIPQIXLG-UHFFFAOYSA-N -1 1 334.380 2.700 20 5 EFBDMM CC[C@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1c(C)noc1C ZINC001604063656 1096717045 /nfs/dbraw/zinc/71/70/45/1096717045.db2.gz JRWJBRJRGYIDSM-LBPRGKRZSA-N -1 1 343.347 2.943 20 5 EFBDMM CC[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1c(C)noc1C ZINC001604063656 1096717049 /nfs/dbraw/zinc/71/70/49/1096717049.db2.gz JRWJBRJRGYIDSM-LBPRGKRZSA-N -1 1 343.347 2.943 20 5 EFBDMM CCC1(CC)CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001604086364 1096727095 /nfs/dbraw/zinc/72/70/95/1096727095.db2.gz RCTRHMVNSKCKLL-UHFFFAOYSA-N -1 1 345.407 2.967 20 5 EFBDMM CCC1(CC)CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001604086364 1096727102 /nfs/dbraw/zinc/72/71/02/1096727102.db2.gz RCTRHMVNSKCKLL-UHFFFAOYSA-N -1 1 345.407 2.967 20 5 EFBDMM CCN(CC)C(=S)Sc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001604282142 1096795157 /nfs/dbraw/zinc/79/51/57/1096795157.db2.gz OTBKTFYBBGLNML-UHFFFAOYSA-N -1 1 344.447 2.555 20 5 EFBDMM CCN(CC)C(=S)Sc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001604282142 1096795165 /nfs/dbraw/zinc/79/51/65/1096795165.db2.gz OTBKTFYBBGLNML-UHFFFAOYSA-N -1 1 344.447 2.555 20 5 EFBDMM C[C@@](NCc1cncc(Cl)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604349050 1096823863 /nfs/dbraw/zinc/82/38/63/1096823863.db2.gz QJHOLDZPAQJXNU-HNNXBMFYSA-N -1 1 335.747 2.733 20 5 EFBDMM C[C@@H](Oc1ccccc1CNCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001604443403 1096858389 /nfs/dbraw/zinc/85/83/89/1096858389.db2.gz OCOFJPLQPCOLLX-GFCCVEGCSA-N -1 1 330.340 2.737 20 5 EFBDMM CCOc1ccccc1CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001604465647 1096868608 /nfs/dbraw/zinc/86/86/08/1096868608.db2.gz QXOOTMZCMWSRQT-UHFFFAOYSA-N -1 1 340.343 2.786 20 5 EFBDMM CCOc1ccccc1CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001604465647 1096868615 /nfs/dbraw/zinc/86/86/15/1096868615.db2.gz QXOOTMZCMWSRQT-UHFFFAOYSA-N -1 1 340.343 2.786 20 5 EFBDMM C[C@H](CC1CCCCC1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605434109 1097124811 /nfs/dbraw/zinc/12/48/11/1097124811.db2.gz SMHOCZOMHSMZMJ-SNVBAGLBSA-N -1 1 331.380 2.941 20 5 EFBDMM C[C@H](CC1CCCCC1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605434109 1097124812 /nfs/dbraw/zinc/12/48/12/1097124812.db2.gz SMHOCZOMHSMZMJ-SNVBAGLBSA-N -1 1 331.380 2.941 20 5 EFBDMM Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001605499707 1097139530 /nfs/dbraw/zinc/13/95/30/1097139530.db2.gz ZDEJNTHMPVBZIL-UHFFFAOYSA-N -1 1 348.319 2.536 20 5 EFBDMM Cc1cc(CNc2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)cc(C)n1 ZINC001605662276 1097183672 /nfs/dbraw/zinc/18/36/72/1097183672.db2.gz YJDACVMVDMBKLE-UHFFFAOYSA-N -1 1 339.359 2.707 20 5 EFBDMM Cc1ccccc1CCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001605939952 1097282944 /nfs/dbraw/zinc/28/29/44/1097282944.db2.gz MUJAGROMGPEFDP-UHFFFAOYSA-N -1 1 330.373 2.799 20 5 EFBDMM Cc1ccccc1CCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001605939952 1097282948 /nfs/dbraw/zinc/28/29/48/1097282948.db2.gz MUJAGROMGPEFDP-UHFFFAOYSA-N -1 1 330.373 2.799 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@H](C2CCC2)[C@@H]2CCCO2)cc1-c1nnn[n-]1 ZINC001607082662 1097507664 /nfs/dbraw/zinc/50/76/64/1097507664.db2.gz RAQHYZQUQWYPMC-LSDHHAIUSA-N -1 1 344.375 2.535 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@H](C2CCC2)[C@@H]2CCCO2)cc1-c1nn[n-]n1 ZINC001607082662 1097507668 /nfs/dbraw/zinc/50/76/68/1097507668.db2.gz RAQHYZQUQWYPMC-LSDHHAIUSA-N -1 1 344.375 2.535 20 5 EFBDMM O=[N+]([O-])c1cn(CCCc2cccc3ccccc32)nc1-c1nn[n-]n1 ZINC001607085511 1097510022 /nfs/dbraw/zinc/51/00/22/1097510022.db2.gz TXWRXPLKGRNACN-UHFFFAOYSA-N -1 1 349.354 2.757 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1Nc1ccc2c(c1)CCOC2 ZINC001607088749 1097511181 /nfs/dbraw/zinc/51/11/81/1097511181.db2.gz XDHOIIDJHQHBRG-UHFFFAOYSA-N -1 1 344.356 2.653 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1Nc1ccc2c(c1)CCOC2 ZINC001607088749 1097511190 /nfs/dbraw/zinc/51/11/90/1097511190.db2.gz XDHOIIDJHQHBRG-UHFFFAOYSA-N -1 1 344.356 2.653 20 5 EFBDMM COc1ccc([C@H](NCc2ccc([N+](=O)[O-])cc2C)C(=O)[O-])cc1O ZINC001607234999 1097568825 /nfs/dbraw/zinc/56/88/25/1097568825.db2.gz RLWGXEDDVACOGW-INIZCTEOSA-N -1 1 346.339 2.533 20 5 EFBDMM COc1ccc([C@H](NCc2ccc([N+](=O)[O-])c(F)c2)C(=O)[O-])cc1 ZINC001607235257 1097569866 /nfs/dbraw/zinc/56/98/66/1097569866.db2.gz UDQIHFNMMKYPEW-HNNXBMFYSA-N -1 1 334.303 2.658 20 5 EFBDMM COc1ccc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001607259547 1097578141 /nfs/dbraw/zinc/57/81/41/1097578141.db2.gz WCWDWQWBBOMTNG-QGZVFWFLSA-N -1 1 348.330 2.832 20 5 EFBDMM Cc1c(CN[C@](C)(CC(=O)[O-])c2cccnc2)cccc1[N+](=O)[O-] ZINC001607528551 1097652438 /nfs/dbraw/zinc/65/24/38/1097652438.db2.gz OEINIQZTRBNZGY-QGZVFWFLSA-N -1 1 329.356 2.778 20 5 EFBDMM O=C([O-])[C@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])c2ccccc21 ZINC001608634973 1097972640 /nfs/dbraw/zinc/97/26/40/1097972640.db2.gz FBVIDNRPKBCRKP-AWEZNQCLSA-N -1 1 328.324 2.879 20 5 EFBDMM O=C([O-])CC1(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCCC1 ZINC001608688544 1097990650 /nfs/dbraw/zinc/99/06/50/1097990650.db2.gz PQMKUYAWTJKVKN-UHFFFAOYSA-N -1 1 346.343 2.522 20 5 EFBDMM C[C@]1(c2ccccc2)C[C@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609151548 1098171556 /nfs/dbraw/zinc/17/15/56/1098171556.db2.gz LOUWZVJSBWITJG-NVXWUHKLSA-N -1 1 336.355 2.917 20 5 EFBDMM C[C@@H]1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)C2)C1 ZINC001609162958 1098176059 /nfs/dbraw/zinc/17/60/59/1098176059.db2.gz ONQDIBOPERCQQF-BZNIZROVSA-N -1 1 328.376 2.791 20 5 EFBDMM C[C@@H]1CCCC[C@H]1OCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609165862 1098179785 /nfs/dbraw/zinc/17/97/85/1098179785.db2.gz ZEMNMQLUWRBJJO-IAQYHMDHSA-N -1 1 346.391 2.782 20 5 EFBDMM C[C@@H]1CCCC[C@H]1OCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609165862 1098179791 /nfs/dbraw/zinc/17/97/91/1098179791.db2.gz ZEMNMQLUWRBJJO-IAQYHMDHSA-N -1 1 346.391 2.782 20 5 EFBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)[C@H]2CCCC[C@@H]12 ZINC001609175546 1098182967 /nfs/dbraw/zinc/18/29/67/1098182967.db2.gz TUMWRRPJDKWANH-OSMZGAPFSA-N -1 1 328.376 2.790 20 5 EFBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)[C@H]2CCCC[C@@H]12 ZINC001609175546 1098182972 /nfs/dbraw/zinc/18/29/72/1098182972.db2.gz TUMWRRPJDKWANH-OSMZGAPFSA-N -1 1 328.376 2.790 20 5 EFBDMM COCC[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccco1 ZINC001609321459 1098248671 /nfs/dbraw/zinc/24/86/71/1098248671.db2.gz BSJZVWVYYNZWJG-GFCCVEGCSA-N -1 1 344.331 2.558 20 5 EFBDMM COCC[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccco1 ZINC001609321459 1098248674 /nfs/dbraw/zinc/24/86/74/1098248674.db2.gz BSJZVWVYYNZWJG-GFCCVEGCSA-N -1 1 344.331 2.558 20 5 EFBDMM Nc1cc(N[C@@H]2C[C@@H]2C2CCCCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609511024 1098365926 /nfs/dbraw/zinc/36/59/26/1098365926.db2.gz SNAIQSCBWSPEBH-BXUZGUMPSA-N -1 1 343.391 2.738 20 5 EFBDMM Nc1cc(N[C@@H]2C[C@@H]2C2CCCCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609511024 1098365931 /nfs/dbraw/zinc/36/59/31/1098365931.db2.gz SNAIQSCBWSPEBH-BXUZGUMPSA-N -1 1 343.391 2.738 20 5 EFBDMM CC(C)(C)c1[nH]ncc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001609671100 1098422093 /nfs/dbraw/zinc/42/20/93/1098422093.db2.gz VDYJGMIGJLPFFI-UHFFFAOYSA-N -1 1 332.316 2.566 20 5 EFBDMM COc1cc(CN[C@@](C)(C(=O)[O-])c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001610298355 1098608564 /nfs/dbraw/zinc/60/85/64/1098608564.db2.gz WXJDNUGLMPJEMF-QGZVFWFLSA-N -1 1 348.330 2.832 20 5 EFBDMM COc1ccc([C@@H](NCc2ccc([N+](=O)[O-])cc2OC)C(=O)[O-])cc1 ZINC001610323887 1098620229 /nfs/dbraw/zinc/62/02/29/1098620229.db2.gz GZSAEYWCSPGKGH-MRXNPFEDSA-N -1 1 346.339 2.528 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3C[C@@H]32)cc1Cl ZINC000828212103 1101950690 /nfs/dbraw/zinc/95/06/90/1101950690.db2.gz OYMMIMOVOBEQKK-VHSKPIJISA-N -1 1 348.783 2.854 20 5 EFBDMM CCOC(=O)c1ncn2c1cccc2Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393058 1102554895 /nfs/dbraw/zinc/55/48/95/1102554895.db2.gz MGGVMEADFJNNDT-UHFFFAOYSA-N -1 1 342.311 2.868 20 5 EFBDMM CC1=C(Oc2c([O-])cc(Br)cc2[N+](=O)[O-])C(=O)O[C@H]1C ZINC001234878886 1111431408 /nfs/dbraw/zinc/43/14/08/1111431408.db2.gz ZPFWVFQWMFJNPB-LURJTMIESA-N -1 1 344.117 2.661 20 5 EFBDMM CCCN(CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1Br ZINC000038021985 202387497 /nfs/dbraw/zinc/38/74/97/202387497.db2.gz HETXCUYFFGSPBK-UHFFFAOYSA-N -1 1 331.166 2.654 20 5 EFBDMM COc1ccc(S(=O)(=O)[N-]c2ccccc2F)c([N+](=O)[O-])c1 ZINC000071826146 201171026 /nfs/dbraw/zinc/17/10/26/201171026.db2.gz QHTCWMKPPKAVJS-UHFFFAOYSA-N -1 1 326.305 2.543 20 5 EFBDMM Cc1c(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)oc2ccc(F)cc12 ZINC000193464463 240107961 /nfs/dbraw/zinc/10/79/61/240107961.db2.gz ZUXYHTUPJBABJG-UHFFFAOYSA-N -1 1 345.286 2.819 20 5 EFBDMM CC(C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000193594884 240116451 /nfs/dbraw/zinc/11/64/51/240116451.db2.gz MTMGRZTXROGECG-UHFFFAOYSA-N -1 1 329.356 2.694 20 5 EFBDMM CC[C@@H](CSc1ccccc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193749610 240125217 /nfs/dbraw/zinc/12/52/17/240125217.db2.gz KRZIILPWUGBWBO-LBPRGKRZSA-N -1 1 347.396 2.996 20 5 EFBDMM C[C@@]1(c2ccccc2)CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193582110 240222060 /nfs/dbraw/zinc/22/20/60/240222060.db2.gz LPWODSQZQKZDFN-GOSISDBHSA-N -1 1 341.367 2.889 20 5 EFBDMM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193602849 240229413 /nfs/dbraw/zinc/22/94/13/240229413.db2.gz UBISTHMQRGUMNO-MFKMUULPSA-N -1 1 345.330 2.853 20 5 EFBDMM O=C(N[C@H]1CCOc2c(Cl)cccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000302988425 284211300 /nfs/dbraw/zinc/21/13/00/284211300.db2.gz KXNITQRCVHRECC-LBPRGKRZSA-N -1 1 349.730 2.602 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000421967988 246190900 /nfs/dbraw/zinc/19/09/00/246190900.db2.gz QTBTXQWBMLZCTL-QMMMGPOBSA-N -1 1 333.266 2.500 20 5 EFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H](CC(F)(F)F)C1 ZINC000422100160 246258626 /nfs/dbraw/zinc/25/86/26/246258626.db2.gz DFXLRYWDLBAFTL-MRVPVSSYSA-N -1 1 333.266 2.500 20 5 EFBDMM O=C(c1ncccc1[O-])N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000427501303 247358279 /nfs/dbraw/zinc/35/82/79/247358279.db2.gz FPJIVYDSUXDKGJ-OAHLLOKOSA-N -1 1 331.353 2.583 20 5 EFBDMM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000443935526 250237878 /nfs/dbraw/zinc/23/78/78/250237878.db2.gz OAJZCCPXAUAUTL-KWQFWETISA-N -1 1 340.323 2.850 20 5 EFBDMM Cc1ccccc1C[C@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445008776 250372646 /nfs/dbraw/zinc/37/26/46/250372646.db2.gz RCHQSTUUCGOCSD-OAHLLOKOSA-N -1 1 341.367 2.851 20 5 EFBDMM CCCOc1cc(C)ccc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445024460 250376091 /nfs/dbraw/zinc/37/60/91/250376091.db2.gz WLRAXGXQIWVJLF-UHFFFAOYSA-N -1 1 345.355 2.723 20 5 EFBDMM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000175276107 207111421 /nfs/dbraw/zinc/11/14/21/207111421.db2.gz IUGJBLZTCCLDLD-WDEREUQCSA-N -1 1 348.421 2.686 20 5 EFBDMM C[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000461849321 255963232 /nfs/dbraw/zinc/96/32/32/255963232.db2.gz KERBJXDFNYFHQZ-UWVGGRQHSA-N -1 1 332.809 2.963 20 5 EFBDMM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000342489930 145136936 /nfs/dbraw/zinc/13/69/36/145136936.db2.gz NRHWQNLQQWWJHP-SSDOTTSWSA-N -1 1 346.352 2.974 20 5 EFBDMM CCSc1cccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000343645022 145260717 /nfs/dbraw/zinc/26/07/17/145260717.db2.gz SHUXRYYKRBBJOE-UHFFFAOYSA-N -1 1 333.369 2.737 20 5 EFBDMM O=C(c1c(F)ccc([O-])c1F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000348852611 146013731 /nfs/dbraw/zinc/01/37/31/146013731.db2.gz MFWCZDLDPOJFEB-UHFFFAOYSA-N -1 1 334.278 2.777 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(CC(C)C)n[nH]1 ZINC000350685801 146080143 /nfs/dbraw/zinc/08/01/43/146080143.db2.gz SRIJXZGFTQLWPR-UHFFFAOYSA-N -1 1 338.389 2.626 20 5 EFBDMM Cc1cccc(C)c1OCCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000351505204 146133301 /nfs/dbraw/zinc/13/33/01/146133301.db2.gz LZNWVLOKQTZABU-UHFFFAOYSA-N -1 1 345.355 2.511 20 5 EFBDMM Cc1cc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)ccc1F ZINC000355837266 147078868 /nfs/dbraw/zinc/07/88/68/147078868.db2.gz DVTXVWXGZZRGDE-UHFFFAOYSA-N -1 1 328.296 2.982 20 5 EFBDMM CN(C)c1ccc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000355880480 147090463 /nfs/dbraw/zinc/09/04/63/147090463.db2.gz HQPDKTAYZPXTDW-UHFFFAOYSA-N -1 1 339.348 2.601 20 5 EFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(N4CCCC4)cn3)no2)[n-]1 ZINC000356691398 147310976 /nfs/dbraw/zinc/31/09/76/147310976.db2.gz URFSYGYZZPGVDZ-UHFFFAOYSA-N -1 1 326.316 2.635 20 5 EFBDMM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000360343923 148336591 /nfs/dbraw/zinc/33/65/91/148336591.db2.gz DSSLVJMKZBYYPJ-NXEZZACHSA-N -1 1 332.809 2.963 20 5 EFBDMM O=C(c1ccc([O-])cc1)C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000374417755 151343559 /nfs/dbraw/zinc/34/35/59/151343559.db2.gz VRCPQCOCKIPLEG-UHFFFAOYSA-N -1 1 333.369 2.856 20 5 EFBDMM O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1[O-] ZINC000030015014 544436512 /nfs/dbraw/zinc/43/65/12/544436512.db2.gz FFYKPXRNLKNXLF-UHFFFAOYSA-N -1 1 335.747 2.796 20 5 EFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC000191787553 265277663 /nfs/dbraw/zinc/27/76/63/265277663.db2.gz TWVSVTCMFDWPMC-UHFFFAOYSA-N -1 1 346.368 2.889 20 5 EFBDMM O=C([N-]c1nc2ccc(F)cn2n1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000085742194 272991947 /nfs/dbraw/zinc/99/19/47/272991947.db2.gz OGIWZDZGAXILGG-UHFFFAOYSA-N -1 1 335.682 2.682 20 5 EFBDMM CCCN1C(=O)CCc2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc21 ZINC000271529701 266002018 /nfs/dbraw/zinc/00/20/18/266002018.db2.gz SBZHAXBZNQEXSV-UHFFFAOYSA-N -1 1 342.355 2.864 20 5 EFBDMM CC(C)c1[nH]nc(C(=O)N2CCCc3cccc([O-])c32)c1[N+](=O)[O-] ZINC000272430346 266263101 /nfs/dbraw/zinc/26/31/01/266263101.db2.gz HMINAPRNQWLYPD-UHFFFAOYSA-N -1 1 330.344 2.740 20 5 EFBDMM CCOc1ccc([N+](=O)[O-])cc1CNCc1ccccc1CC(=O)[O-] ZINC000276997249 267096023 /nfs/dbraw/zinc/09/60/23/267096023.db2.gz KSGQEWYJEAMYNJ-UHFFFAOYSA-N -1 1 344.367 2.910 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000277904942 267294575 /nfs/dbraw/zinc/29/45/75/267294575.db2.gz XZRYEQBARGWXLV-CYBMUJFWSA-N -1 1 331.303 2.812 20 5 EFBDMM Cc1nn(CCc2nc(-c3ccc([O-])c(F)c3)no2)c(C)c1[N+](=O)[O-] ZINC000278180050 267362496 /nfs/dbraw/zinc/36/24/96/267362496.db2.gz OFSUZXSJOHDLJX-UHFFFAOYSA-N -1 1 347.306 2.546 20 5 EFBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1C(=O)N(C)C(C)C ZINC000279244315 273192446 /nfs/dbraw/zinc/19/24/46/273192446.db2.gz UFBLKCHBEBYBJG-UHFFFAOYSA-N -1 1 344.371 2.964 20 5 EFBDMM O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000280574967 273342699 /nfs/dbraw/zinc/34/26/99/273342699.db2.gz BSWNQDHRXMXWDL-HOMQSWHASA-N -1 1 331.303 2.511 20 5 EFBDMM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185810650 274571010 /nfs/dbraw/zinc/57/10/10/274571010.db2.gz BTWIXOSQNHFMRW-BJOHPYRUSA-N -1 1 345.330 2.888 20 5 EFBDMM O=C(N[C@H]1CCc2c1cccc2Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187012602 274994258 /nfs/dbraw/zinc/99/42/58/274994258.db2.gz MFSNATHVFNRJKI-LBPRGKRZSA-N -1 1 333.731 2.766 20 5 EFBDMM O=C([N-]c1nnc(-c2ccccn2)s1)c1ccc([N+](=O)[O-])cc1F ZINC000055446873 292654110 /nfs/dbraw/zinc/65/41/10/292654110.db2.gz BNQIHSMJJMQNLS-UHFFFAOYSA-N -1 1 345.315 2.900 20 5 EFBDMM O=C(Nc1cccc([O-])c1F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000128243231 293096158 /nfs/dbraw/zinc/09/61/58/293096158.db2.gz SSWWTEQJOOEOFT-UHFFFAOYSA-N -1 1 342.286 2.878 20 5 EFBDMM CC1(C)CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)Cc2ccccc2O1 ZINC000290706532 294162687 /nfs/dbraw/zinc/16/26/87/294162687.db2.gz TZXHULPGDSHOJQ-UHFFFAOYSA-N -1 1 343.339 2.509 20 5 EFBDMM Cc1cccc([N+](=O)[O-])c1N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290765062 294178348 /nfs/dbraw/zinc/17/83/48/294178348.db2.gz UTTPLLXBOOCJEP-LLVKDONJSA-N -1 1 345.321 2.798 20 5 EFBDMM CC(C)n1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)cn1 ZINC000291022397 294249898 /nfs/dbraw/zinc/24/98/98/294249898.db2.gz XVWFAQOVZUKGKI-UHFFFAOYSA-N -1 1 344.780 2.826 20 5 EFBDMM CCc1ccc([C@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cc1 ZINC000294483752 295174424 /nfs/dbraw/zinc/17/44/24/295174424.db2.gz JGYGGJDTFWNMFV-AWEZNQCLSA-N -1 1 341.367 2.888 20 5 EFBDMM COCc1cccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c1 ZINC000179376363 310786686 /nfs/dbraw/zinc/78/66/86/310786686.db2.gz CVSIWNGCUVNQRZ-UHFFFAOYSA-N -1 1 336.369 2.850 20 5 EFBDMM CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000299157392 311057119 /nfs/dbraw/zinc/05/71/19/311057119.db2.gz WMOUHWVPQRDMQR-UHFFFAOYSA-N -1 1 330.344 2.657 20 5 EFBDMM COC[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)[O-] ZINC000417637865 312250831 /nfs/dbraw/zinc/25/08/31/312250831.db2.gz ZLTQZCZUVGRJRV-CYBMUJFWSA-N -1 1 336.369 2.513 20 5 EFBDMM CCc1n[nH]c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1C ZINC000493280308 314301650 /nfs/dbraw/zinc/30/16/50/314301650.db2.gz LSUMXHFBNFISFW-UHFFFAOYSA-N -1 1 338.389 2.606 20 5 EFBDMM C[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000515981106 315646471 /nfs/dbraw/zinc/64/64/71/315646471.db2.gz KZCHPIZJCVFIRK-NSHDSACASA-N -1 1 327.406 2.627 20 5 EFBDMM CCCC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525689554 316226640 /nfs/dbraw/zinc/22/66/40/316226640.db2.gz JMOBAFOHWHDYSB-NEPJUHHUSA-N -1 1 327.406 2.627 20 5 EFBDMM C[C@H](CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])CC(C)(C)C ZINC000526945164 316308994 /nfs/dbraw/zinc/30/89/94/316308994.db2.gz GJCNOBAHFVZMLI-LLVKDONJSA-N -1 1 329.422 2.731 20 5 EFBDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H](C)C1CCCCC1 ZINC000531129925 317223526 /nfs/dbraw/zinc/22/35/26/317223526.db2.gz QXVYLPKGICKDBW-VXGBXAGGSA-N -1 1 341.433 2.873 20 5 EFBDMM O=C(Nc1cc(Cl)ccc1[O-])c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533997632 317529540 /nfs/dbraw/zinc/52/95/40/317529540.db2.gz LNXFVULTWGIECK-UHFFFAOYSA-N -1 1 336.687 2.935 20 5 EFBDMM CC(C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000547387573 318002835 /nfs/dbraw/zinc/00/28/35/318002835.db2.gz CZMKREGHPMZHFK-STQMWFEESA-N -1 1 341.433 2.873 20 5 EFBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C3CC3)s2)c1 ZINC000549214276 318169385 /nfs/dbraw/zinc/16/93/85/318169385.db2.gz SGEDHYXIODGUBP-UHFFFAOYSA-N -1 1 334.357 2.975 20 5 EFBDMM CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000555490527 318357968 /nfs/dbraw/zinc/35/79/68/318357968.db2.gz PLTNYQDETYJNHM-LLVKDONJSA-N -1 1 345.355 2.974 20 5 EFBDMM CN(C)[C@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])c1ccsc1 ZINC000568516718 319291772 /nfs/dbraw/zinc/29/17/72/319291772.db2.gz LGQCIGCQGDHBAS-OAHLLOKOSA-N -1 1 349.412 2.998 20 5 EFBDMM Cc1cnc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)[n-]c1=O ZINC000568782970 319318910 /nfs/dbraw/zinc/31/89/10/319318910.db2.gz IXTULIBOVUPDHQ-JTQLQIEISA-N -1 1 348.384 2.827 20 5 EFBDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(C2CC2)cc1 ZINC000575852337 319959193 /nfs/dbraw/zinc/95/91/93/319959193.db2.gz LARTYTMKMMYSFX-LLVKDONJSA-N -1 1 347.396 2.907 20 5 EFBDMM O=C([O-])c1ccc2c(c1)CN(CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000578779037 320239274 /nfs/dbraw/zinc/23/92/74/320239274.db2.gz CEYFEBIPZPOPIF-UHFFFAOYSA-N -1 1 342.351 2.730 20 5 EFBDMM CCCC[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCC1 ZINC000580387695 324150822 /nfs/dbraw/zinc/15/08/22/324150822.db2.gz RSCBNRCJIZBKQN-GFCCVEGCSA-N -1 1 327.406 2.627 20 5 EFBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)nn1-c1ccc(F)cc1F ZINC000495022656 468081887 /nfs/dbraw/zinc/08/18/87/468081887.db2.gz DLKJZSVAEYIOPB-UHFFFAOYSA-N -1 1 347.281 2.948 20 5 EFBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000014257044 471866779 /nfs/dbraw/zinc/86/67/79/471866779.db2.gz NFMMTGZFWRCZAW-UHFFFAOYSA-N -1 1 328.296 2.982 20 5 EFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)cc1 ZINC000028082185 472213183 /nfs/dbraw/zinc/21/31/83/472213183.db2.gz NUGPYKQTKKZBSQ-UHFFFAOYSA-N -1 1 344.352 2.581 20 5 EFBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000032585284 472444193 /nfs/dbraw/zinc/44/41/93/472444193.db2.gz DXAYNTKXINPXSF-UHFFFAOYSA-N -1 1 349.368 2.662 20 5 EFBDMM CCCc1cc(=O)[n-]c(SCCOc2ccccc2[N+](=O)[O-])n1 ZINC000059409030 472626486 /nfs/dbraw/zinc/62/64/86/472626486.db2.gz RWGKYUQCWSHICO-UHFFFAOYSA-N -1 1 335.385 2.802 20 5 EFBDMM Cc1cc(C(=O)NCCc2n[n-]c(=S)n2C(C)C)ccc1[N+](=O)[O-] ZINC000078542842 472731918 /nfs/dbraw/zinc/73/19/18/472731918.db2.gz OQIGWCHLIIYVGW-UHFFFAOYSA-N -1 1 349.416 2.711 20 5 EFBDMM CCOc1cc(C(=O)[N-]c2c(C)noc2C)c([N+](=O)[O-])cc1OC ZINC000063447396 472776603 /nfs/dbraw/zinc/77/66/03/472776603.db2.gz ZUPSFLWNQIRMKP-UHFFFAOYSA-N -1 1 335.316 2.859 20 5 EFBDMM COc1ccc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000048551173 472887561 /nfs/dbraw/zinc/88/75/61/472887561.db2.gz XPVYRQLZZBTUSJ-UHFFFAOYSA-N -1 1 340.133 2.946 20 5 EFBDMM CC1(c2ccccc2)CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000158829379 472970875 /nfs/dbraw/zinc/97/08/75/472970875.db2.gz WOHSXYWUUKJVNN-UHFFFAOYSA-N -1 1 341.367 2.889 20 5 EFBDMM CCOc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000074983883 473109037 /nfs/dbraw/zinc/10/90/37/473109037.db2.gz TUHUOBNUPOLOLM-UHFFFAOYSA-N -1 1 340.332 2.933 20 5 EFBDMM CN(CCc1ccc(Cl)cc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000113443377 473393974 /nfs/dbraw/zinc/39/39/74/473393974.db2.gz MRDRQXKOBNPTRX-UHFFFAOYSA-N -1 1 335.747 2.664 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(CCc1cccc(F)c1)C1CC1 ZINC000185656449 473480563 /nfs/dbraw/zinc/48/05/63/473480563.db2.gz OYKQBBBRBJIUHH-UHFFFAOYSA-N -1 1 345.330 2.682 20 5 EFBDMM CC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000185699900 473492502 /nfs/dbraw/zinc/49/25/02/473492502.db2.gz ONDACYCZAGZTCY-LBPRGKRZSA-N -1 1 337.282 2.855 20 5 EFBDMM Cc1cc(C)c2c(c1)CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC2 ZINC000194032541 473830937 /nfs/dbraw/zinc/83/09/37/473830937.db2.gz RHTFCNRQBVIEER-UHFFFAOYSA-N -1 1 327.340 2.511 20 5 EFBDMM C[C@@H](c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1)N1CCOCC1 ZINC000264768863 474121213 /nfs/dbraw/zinc/12/12/13/474121213.db2.gz NVSMALMTWZQIPN-LBPRGKRZSA-N -1 1 344.371 2.568 20 5 EFBDMM COC(=O)CCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000264826288 474140653 /nfs/dbraw/zinc/14/06/53/474140653.db2.gz SFRNRWQJCZMCGF-UHFFFAOYSA-N -1 1 347.327 2.507 20 5 EFBDMM CC(C)OC(=O)NCc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000265318478 474173461 /nfs/dbraw/zinc/17/34/61/474173461.db2.gz HOXQKWOHHOTMFB-UHFFFAOYSA-N -1 1 346.343 2.810 20 5 EFBDMM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000175621991 474265584 /nfs/dbraw/zinc/26/55/84/474265584.db2.gz ASIQUJJWGJKVKU-MRVPVSSYSA-N -1 1 345.377 2.538 20 5 EFBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000271359617 474509649 /nfs/dbraw/zinc/50/96/49/474509649.db2.gz NDWRGSWLLCBXPG-UHFFFAOYSA-N -1 1 346.315 2.673 20 5 EFBDMM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000266927260 474533575 /nfs/dbraw/zinc/53/35/75/474533575.db2.gz KVPGWQKSBBEDRP-OCCSQVGLSA-N -1 1 341.367 2.789 20 5 EFBDMM Cc1cc(C)n(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)n1 ZINC000340781164 474662292 /nfs/dbraw/zinc/66/22/92/474662292.db2.gz UFMBCGXMKSYEJB-UHFFFAOYSA-N -1 1 325.328 2.978 20 5 EFBDMM CC1(c2ccccc2)CC(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 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BWIYGFHZAFPBNG-UHFFFAOYSA-N -1 1 338.307 2.667 20 5 EFBDMM CC(C)(NC(=O)c1csc(=NC2CC2)[n-]1)c1ccccc1[N+](=O)[O-] ZINC000345801719 475463070 /nfs/dbraw/zinc/46/30/70/475463070.db2.gz FMXLOTVQJIEHRH-UHFFFAOYSA-N -1 1 346.412 2.713 20 5 EFBDMM O=C(c1cncc([O-])c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000339892874 475595734 /nfs/dbraw/zinc/59/57/34/475595734.db2.gz BBACDXIIRCNFNT-OAHLLOKOSA-N -1 1 331.353 2.583 20 5 EFBDMM Cc1nc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[n-]c(=O)c1C ZINC000346724604 475802255 /nfs/dbraw/zinc/80/22/55/475802255.db2.gz PNBBXRWLUXXHOF-SNVBAGLBSA-N -1 1 348.384 2.827 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc2c[nH]nc2cc1C ZINC000358797593 475946853 /nfs/dbraw/zinc/94/68/53/475946853.db2.gz IIRVAXFHZPZSBQ-UHFFFAOYSA-N -1 1 346.368 2.889 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(-c2ccccn2)no1 ZINC000353557386 476076716 /nfs/dbraw/zinc/07/67/16/476076716.db2.gz FOKYQLHZHIHIAJ-UHFFFAOYSA-N -1 1 340.295 2.906 20 5 EFBDMM CCOC(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000340594508 476133679 /nfs/dbraw/zinc/13/36/79/476133679.db2.gz NGPPQJABBHSEND-UHFFFAOYSA-N -1 1 330.296 2.729 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(CC(F)(F)F)CC1 ZINC000357021053 476162658 /nfs/dbraw/zinc/16/26/58/476162658.db2.gz PWVYAQODSRZKTE-UHFFFAOYSA-N -1 1 333.266 2.500 20 5 EFBDMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000353710621 476207192 /nfs/dbraw/zinc/20/71/92/476207192.db2.gz ORCGJDKMUCBCAD-UHFFFAOYSA-N -1 1 349.368 2.527 20 5 EFBDMM CC(C)c1ccc(OCCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000302935265 476211953 /nfs/dbraw/zinc/21/19/53/476211953.db2.gz FZLVVGAUEONUSL-UHFFFAOYSA-N -1 1 345.355 2.628 20 5 EFBDMM CCN(Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1)C(C)=O ZINC000340703441 476219886 /nfs/dbraw/zinc/21/98/86/476219886.db2.gz CEYOAKPGUGNTFW-UHFFFAOYSA-N -1 1 330.344 2.544 20 5 EFBDMM CCN(Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1)C(C)=O ZINC000340727512 476235592 /nfs/dbraw/zinc/23/55/92/476235592.db2.gz JBPJNQVWSXNAAF-UHFFFAOYSA-N -1 1 330.344 2.544 20 5 EFBDMM COC(=O)c1cc([N-]S(=O)(=O)CCC(C)(C)C)cc([N+](=O)[O-])c1 ZINC000357131269 476252799 /nfs/dbraw/zinc/25/27/99/476252799.db2.gz QHVUYUIADMYZAO-UHFFFAOYSA-N -1 1 344.389 2.559 20 5 EFBDMM O=C(N[C@@H]1CCCc2ccc(F)cc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000360494798 476305944 /nfs/dbraw/zinc/30/59/44/476305944.db2.gz HSQONNALPKVLLM-CQSZACIVSA-N -1 1 331.303 2.642 20 5 EFBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000353879468 476309936 /nfs/dbraw/zinc/30/99/36/476309936.db2.gz VJNYHQWQKZYIGS-UHFFFAOYSA-N -1 1 338.389 2.626 20 5 EFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)cc1C ZINC000353904355 476319695 /nfs/dbraw/zinc/31/96/95/476319695.db2.gz QITQLGBMOUPIKQ-UHFFFAOYSA-N -1 1 336.373 2.613 20 5 EFBDMM CSc1ccccc1CN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000352295157 476617356 /nfs/dbraw/zinc/61/73/56/476617356.db2.gz PNCFMUZKJKQEIT-UHFFFAOYSA-N -1 1 333.369 2.690 20 5 EFBDMM CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000447075429 476950205 /nfs/dbraw/zinc/95/02/05/476950205.db2.gz CRJINZSEZNUOJY-UHFFFAOYSA-N -1 1 332.360 2.593 20 5 EFBDMM CC(C)(C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1[N+](=O)[O-] ZINC000432410648 477212728 /nfs/dbraw/zinc/21/27/28/477212728.db2.gz QRACTZFWUUOVFU-UHFFFAOYSA-N -1 1 343.265 2.648 20 5 EFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2F)c(Cl)c1 ZINC000416584388 477227190 /nfs/dbraw/zinc/22/71/90/477227190.db2.gz DDOSQSILOVXKMA-GHMZBOCLSA-N -1 1 336.772 2.807 20 5 EFBDMM CN(Cc1ccc(F)c(Cl)c1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000432654287 477246212 /nfs/dbraw/zinc/24/62/12/477246212.db2.gz PHDHSFTUGQEZMJ-UHFFFAOYSA-N -1 1 339.710 2.760 20 5 EFBDMM Cc1cnn(-c2ccc(C)cc2NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000436050302 477410849 /nfs/dbraw/zinc/41/08/49/477410849.db2.gz ZQAMVRTUSAYNGU-UHFFFAOYSA-N -1 1 325.328 2.978 20 5 EFBDMM COC(=O)c1ccc([O-])c(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000436503098 477497107 /nfs/dbraw/zinc/49/71/07/477497107.db2.gz GNAYUXMCXSLRMV-UHFFFAOYSA-N -1 1 336.325 2.709 20 5 EFBDMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c1 ZINC000436503353 477497637 /nfs/dbraw/zinc/49/76/37/477497637.db2.gz JYJDEXQGZIHHJK-UHFFFAOYSA-N -1 1 330.296 2.648 20 5 EFBDMM COC(=O)c1ccc([O-])c(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000436518300 477502510 /nfs/dbraw/zinc/50/25/10/477502510.db2.gz JWWUWMFGUOAQQO-UHFFFAOYSA-N -1 1 330.296 2.648 20 5 EFBDMM CCC(=O)c1ccc(O)c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000436651321 477546817 /nfs/dbraw/zinc/54/68/17/477546817.db2.gz DVDWHAXOWCVRTR-UHFFFAOYSA-N -1 1 330.296 2.851 20 5 EFBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)F ZINC000451081460 477813705 /nfs/dbraw/zinc/81/37/05/477813705.db2.gz MKSPJOGJMCIGOY-MRVPVSSYSA-N -1 1 328.724 2.570 20 5 EFBDMM CCc1cc(=O)[n-]c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n1 ZINC000428710562 477966022 /nfs/dbraw/zinc/96/60/22/477966022.db2.gz SQGBEALVDFQIDE-UHFFFAOYSA-N -1 1 349.368 2.812 20 5 EFBDMM Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000440127596 478076173 /nfs/dbraw/zinc/07/61/73/478076173.db2.gz BBJHFOQCVWKWSB-UHFFFAOYSA-N -1 1 342.355 2.623 20 5 EFBDMM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000440181600 478086202 /nfs/dbraw/zinc/08/62/02/478086202.db2.gz BYHUASJTTKBMAC-GFCCVEGCSA-N -1 1 329.356 2.673 20 5 EFBDMM CC(C)C1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000440394144 478113353 /nfs/dbraw/zinc/11/33/53/478113353.db2.gz YPZWNMFUCYSTQB-UHFFFAOYSA-N -1 1 332.809 2.963 20 5 EFBDMM CCc1nnc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)o1 ZINC000440601024 478139078 /nfs/dbraw/zinc/13/90/78/478139078.db2.gz TZFVNOANBIQNMR-UHFFFAOYSA-N -1 1 327.300 2.788 20 5 EFBDMM COC(=O)Nc1ccc(OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000495552781 478227318 /nfs/dbraw/zinc/22/73/18/478227318.db2.gz GJYVYKSCJLEBQT-UHFFFAOYSA-N -1 1 332.268 2.698 20 5 EFBDMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000600674200 478462238 /nfs/dbraw/zinc/46/22/38/478462238.db2.gz DWVICEHAPHXKCB-JGPRNRPPSA-N -1 1 332.360 2.545 20 5 EFBDMM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000597801866 478516116 /nfs/dbraw/zinc/51/61/16/478516116.db2.gz VAIBIHXJUAFAEX-SNVBAGLBSA-N -1 1 330.344 2.704 20 5 EFBDMM CC(C)(C)[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000571403564 478588464 /nfs/dbraw/zinc/58/84/64/478588464.db2.gz LLBQVYPLTZZGBR-JTQLQIEISA-N -1 1 340.323 2.850 20 5 EFBDMM CC(=O)c1cccc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1[O-] ZINC000571628252 478639765 /nfs/dbraw/zinc/63/97/65/478639765.db2.gz LBNUGQMXFUXRCT-UHFFFAOYSA-N -1 1 332.316 2.602 20 5 EFBDMM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000564093989 478693188 /nfs/dbraw/zinc/69/31/88/478693188.db2.gz UXLBTEJOLJBNOW-KWQFWETISA-N -1 1 332.278 2.909 20 5 EFBDMM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000564093992 478693894 /nfs/dbraw/zinc/69/38/94/478693894.db2.gz UXLBTEJOLJBNOW-LDYMZIIASA-N -1 1 332.278 2.909 20 5 EFBDMM Cc1cc(S(=O)(=O)[N-][C@@H](C)CC(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000601393543 478818131 /nfs/dbraw/zinc/81/81/31/478818131.db2.gz ILLPTDTYUYGYCM-ZETCQYMHSA-N -1 1 344.286 2.662 20 5 EFBDMM CO[C@H](CS(=O)(=O)[N-]c1c(C)ccc([N+](=O)[O-])c1C)C(C)C ZINC000592382499 478878032 /nfs/dbraw/zinc/87/80/32/478878032.db2.gz XGIKYGYTEBXKCB-CYBMUJFWSA-N -1 1 330.406 2.624 20 5 EFBDMM CC1(C)C[C@]1(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000598549772 478889841 /nfs/dbraw/zinc/88/98/41/478889841.db2.gz DCXHXTJPFRUVLR-KRWDZBQOSA-N -1 1 327.340 2.751 20 5 EFBDMM CC[C@@H](C)n1ncc([N-]c2nccc(C(=O)OC)c2[N+](=O)[O-])c1C ZINC000598620696 478930336 /nfs/dbraw/zinc/93/03/36/478930336.db2.gz NJVMNLIHXOOWEX-SECBINFHSA-N -1 1 333.348 2.996 20 5 EFBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000583993984 478988574 /nfs/dbraw/zinc/98/85/74/478988574.db2.gz HDMNYWCIJLYAOT-SWLSCSKDSA-N -1 1 336.388 2.925 20 5 EFBDMM O=C([O-])[C@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000514867211 479080939 /nfs/dbraw/zinc/08/09/39/479080939.db2.gz RFTFKILTVPNLBH-LBPRGKRZSA-N -1 1 331.328 2.546 20 5 EFBDMM CC(C)(C)OC(=O)c1ccnc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000598911338 479082553 /nfs/dbraw/zinc/08/25/53/479082553.db2.gz AZGOVKJSLGKIQV-UHFFFAOYSA-N -1 1 332.316 2.526 20 5 EFBDMM O=C(c1ccc([O-])cc1)C1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596174867 479179862 /nfs/dbraw/zinc/17/98/62/479179862.db2.gz MZJSPCKFQDUFMP-UHFFFAOYSA-N -1 1 343.339 2.500 20 5 EFBDMM CC[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000599396287 479282896 /nfs/dbraw/zinc/28/28/96/479282896.db2.gz UHHWMLGHFQHZLF-AWEZNQCLSA-N -1 1 349.412 2.680 20 5 EFBDMM COC(=O)c1cc(Cl)cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1O ZINC000588100245 479395754 /nfs/dbraw/zinc/39/57/54/479395754.db2.gz UVHKFQUNZSOGSV-UHFFFAOYSA-N -1 1 340.675 2.586 20 5 EFBDMM C[C@H](CN(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1nccs1 ZINC000593737252 479439541 /nfs/dbraw/zinc/43/95/41/479439541.db2.gz HDZUULVMRBVPJG-SNVBAGLBSA-N -1 1 335.385 2.985 20 5 EFBDMM CCO[C@@H]1C[C@H](N(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1(C)C ZINC000593738035 479440212 /nfs/dbraw/zinc/44/02/12/479440212.db2.gz KVRIVGPUMAXUDN-LSDHHAIUSA-N -1 1 336.388 2.928 20 5 EFBDMM O=C([O-])[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000593743664 479443031 /nfs/dbraw/zinc/44/30/31/479443031.db2.gz HNSUDPWNNXQLJU-HNNXBMFYSA-N -1 1 342.351 2.658 20 5 EFBDMM CO[C@@]1(C)C[C@H](N(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1(C)C ZINC000593743533 479443571 /nfs/dbraw/zinc/44/35/71/479443571.db2.gz INHLDPABSOKHHA-YOEHRIQHSA-N -1 1 336.388 2.928 20 5 EFBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)CC(=O)[O-])cc1OC ZINC000593744425 479443847 /nfs/dbraw/zinc/44/38/47/479443847.db2.gz MCXZSSSBWMYKNI-NSHDSACASA-N -1 1 340.376 2.545 20 5 EFBDMM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000593748477 479446472 /nfs/dbraw/zinc/44/64/72/479446472.db2.gz NWGYOILMFWWXLB-NSHDSACASA-N -1 1 346.387 2.794 20 5 EFBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2c(O)cccc2Cl)c1 ZINC000590597757 479665884 /nfs/dbraw/zinc/66/58/84/479665884.db2.gz PVDDPACPYBPOHU-UHFFFAOYSA-N -1 1 328.733 2.755 20 5 EFBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C)ccc1F ZINC000619466380 479802693 /nfs/dbraw/zinc/80/26/93/479802693.db2.gz XNTUAJUWLNYBDT-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)ccc1[N+](=O)[O-] ZINC000609849060 480213175 /nfs/dbraw/zinc/21/31/75/480213175.db2.gz ZFLXYAFYXTWSOP-UHFFFAOYSA-N -1 1 338.389 2.725 20 5 EFBDMM CCC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610262628 480265103 /nfs/dbraw/zinc/26/51/03/480265103.db2.gz BUNWCCCUQAXBKT-NEPJUHHUSA-N -1 1 327.406 2.627 20 5 EFBDMM CC(C)(CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000618360850 480643361 /nfs/dbraw/zinc/64/33/61/480643361.db2.gz URBZALSOJZADQA-UHFFFAOYSA-N -1 1 329.356 2.793 20 5 EFBDMM O=C(Nc1nnc(Cc2ccccc2)s1)c1ccc([N+](=O)[O-])[n-]1 ZINC000604261808 485646177 /nfs/dbraw/zinc/64/61/77/485646177.db2.gz JRXNGVHXQURZIS-UHFFFAOYSA-N -1 1 329.341 2.618 20 5 EFBDMM COc1cccc([C@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000186835413 533789979 /nfs/dbraw/zinc/78/99/79/533789979.db2.gz WLWAWJQMMXHTHC-CQSZACIVSA-N -1 1 343.339 2.681 20 5 EFBDMM CCCOCc1ccccc1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000121372888 520259608 /nfs/dbraw/zinc/25/96/08/520259608.db2.gz LPMNUFWYUHTIMU-UHFFFAOYSA-N -1 1 345.355 2.552 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1c(F)cccc1F)C1CC1 ZINC000190021849 534767112 /nfs/dbraw/zinc/76/71/12/534767112.db2.gz GFHCPAVDRUCLTL-UHFFFAOYSA-N -1 1 349.293 2.778 20 5 EFBDMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000151885151 524625868 /nfs/dbraw/zinc/62/58/68/524625868.db2.gz TXRRQXDVUTYMJG-UHFFFAOYSA-N -1 1 336.369 2.505 20 5 EFBDMM CN(CCc1ccc(Cl)cc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193582175 536409830 /nfs/dbraw/zinc/40/98/30/536409830.db2.gz BRGGRMYQNNIIPM-UHFFFAOYSA-N -1 1 335.747 2.664 20 5 EFBDMM COc1cc(C)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000194663849 536605950 /nfs/dbraw/zinc/60/59/50/536605950.db2.gz PGWALSJQLZBOLK-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)[nH]nc1C1CC1 ZINC000760320614 576004775 /nfs/dbraw/zinc/00/47/75/576004775.db2.gz CILGBQFJLFLXNC-UHFFFAOYSA-N -1 1 336.373 2.613 20 5 EFBDMM C[C@H](Cc1ccco1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725822356 577235935 /nfs/dbraw/zinc/23/59/35/577235935.db2.gz XRZGKVHLIJVLCA-SECBINFHSA-N -1 1 344.776 2.751 20 5 EFBDMM Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768811405 577304927 /nfs/dbraw/zinc/30/49/27/577304927.db2.gz IMWMYNLDYQDJLY-CYBMUJFWSA-N -1 1 338.410 2.931 20 5 EFBDMM CC(C)([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccs1 ZINC000768830701 577307078 /nfs/dbraw/zinc/30/70/78/577307078.db2.gz HWPPMCCFWISMME-UHFFFAOYSA-N -1 1 332.428 2.931 20 5 EFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000769048750 577327898 /nfs/dbraw/zinc/32/78/98/577327898.db2.gz RMDDLWOZZFKVRG-UHFFFAOYSA-N -1 1 335.699 2.994 20 5 EFBDMM Cc1ccc(C)c(NC(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000769049061 577327976 /nfs/dbraw/zinc/32/79/76/577327976.db2.gz VHGSRDIOAOIGOD-UHFFFAOYSA-N -1 1 344.323 2.713 20 5 EFBDMM COc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1F ZINC000769892114 577391926 /nfs/dbraw/zinc/39/19/26/577391926.db2.gz WZORVPUEDFXNNR-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3c(Cl)nc4ccccn43)no2)[n-]1 ZINC000771341810 581200809 /nfs/dbraw/zinc/20/08/09/581200809.db2.gz VCLSDKHPXHJJHO-UHFFFAOYSA-N -1 1 330.691 2.941 20 5 EFBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1coc(C2CCOCC2)n1 ZINC000771724558 581236412 /nfs/dbraw/zinc/23/64/12/581236412.db2.gz RKZRNAYCEKTNQV-UHFFFAOYSA-N -1 1 335.291 2.868 20 5 EFBDMM O=C([N-]Oc1ccccc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000774276158 581488694 /nfs/dbraw/zinc/48/86/94/581488694.db2.gz PKWWOOLUGYZCBL-UHFFFAOYSA-N -1 1 341.367 2.921 20 5 EFBDMM Cc1cc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1Cl ZINC000822211521 599382284 /nfs/dbraw/zinc/38/22/84/599382284.db2.gz CIAQMWMPYHHGST-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM Cc1cc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1Cl ZINC000822211521 599382286 /nfs/dbraw/zinc/38/22/86/599382286.db2.gz CIAQMWMPYHHGST-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM COc1ccc([C@H](NCc2ccc(OC)c([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000737969926 599862732 /nfs/dbraw/zinc/86/27/32/599862732.db2.gz MSDRHMXGYHXQLX-INIZCTEOSA-N -1 1 346.339 2.528 20 5 EFBDMM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000738008903 600426821 /nfs/dbraw/zinc/42/68/21/600426821.db2.gz SYAFGIHLRMWQCY-OAHLLOKOSA-N -1 1 334.303 2.658 20 5 EFBDMM O=[N+]([O-])c1ccc(N(Cc2ccccc2)C2CC2)cc1-c1nnn[n-]1 ZINC000826498064 607450908 /nfs/dbraw/zinc/45/09/08/607450908.db2.gz GJUVECDNAVWGGY-UHFFFAOYSA-N -1 1 336.355 2.944 20 5 EFBDMM O=[N+]([O-])c1ccc(N(Cc2ccccc2)C2CC2)cc1-c1nn[n-]n1 ZINC000826498064 607450909 /nfs/dbraw/zinc/45/09/09/607450909.db2.gz GJUVECDNAVWGGY-UHFFFAOYSA-N -1 1 336.355 2.944 20 5 EFBDMM O=C([O-])c1cc(C(=O)Nc2cccc(Cl)c2O)cc([N+](=O)[O-])c1 ZINC000738673741 600581542 /nfs/dbraw/zinc/58/15/42/600581542.db2.gz WAUQVDXTYLROLC-UHFFFAOYSA-N -1 1 336.687 2.904 20 5 EFBDMM C[C@@H](NCc1cccc(OCC(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000827741821 600864147 /nfs/dbraw/zinc/86/41/47/600864147.db2.gz UIXVBDFDWDHMQL-GFCCVEGCSA-N -1 1 330.340 2.909 20 5 EFBDMM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000827928746 601012792 /nfs/dbraw/zinc/01/27/92/601012792.db2.gz OTGBAFUYKKVVBE-GHMZBOCLSA-N -1 1 346.343 2.528 20 5 EFBDMM C[C@]1(C(=O)[O-])CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000833553426 604675097 /nfs/dbraw/zinc/67/50/97/604675097.db2.gz DLHAVLHWBGGHKV-ZDUSSCGKSA-N -1 1 343.177 2.654 20 5 EFBDMM CCC(CC)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])SC ZINC000820887406 606713642 /nfs/dbraw/zinc/71/36/42/606713642.db2.gz BYAFRQMGUXPNEW-UHFFFAOYSA-N -1 1 337.409 2.504 20 5 EFBDMM CCC(CC)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])SC ZINC000820887406 606713644 /nfs/dbraw/zinc/71/36/44/606713644.db2.gz BYAFRQMGUXPNEW-UHFFFAOYSA-N -1 1 337.409 2.504 20 5 EFBDMM Cc1ccc(Cl)cc1Oc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822240029 606714060 /nfs/dbraw/zinc/71/40/60/606714060.db2.gz PBGDDEABSUQJDM-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM Cc1ccc(Cl)cc1Oc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822240029 606714061 /nfs/dbraw/zinc/71/40/61/606714061.db2.gz PBGDDEABSUQJDM-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM Cc1ccc(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1C ZINC000822271333 607161565 /nfs/dbraw/zinc/16/15/65/607161565.db2.gz XPIFHSSICLUMCQ-UHFFFAOYSA-N -1 1 328.357 2.938 20 5 EFBDMM Cc1ccc(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1C ZINC000822271333 607161567 /nfs/dbraw/zinc/16/15/67/607161567.db2.gz XPIFHSSICLUMCQ-UHFFFAOYSA-N -1 1 328.357 2.938 20 5 EFBDMM CN(Cc1cccc(F)c1)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825981200 607838265 /nfs/dbraw/zinc/83/82/65/607838265.db2.gz QHMCPRWYDLEAAJ-UHFFFAOYSA-N -1 1 328.307 2.550 20 5 EFBDMM CN(Cc1cccc(F)c1)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000825981200 607838266 /nfs/dbraw/zinc/83/82/66/607838266.db2.gz QHMCPRWYDLEAAJ-UHFFFAOYSA-N -1 1 328.307 2.550 20 5 EFBDMM O=[N+]([O-])c1cc(F)cc(Oc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000826498233 608193129 /nfs/dbraw/zinc/19/31/29/608193129.db2.gz MHCNIFADAPTFGC-UHFFFAOYSA-N -1 1 342.699 2.816 20 5 EFBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccccc1CN(C)C ZINC000733867985 1265451377 /nfs/dbraw/zinc/45/13/77/1265451377.db2.gz JYVWLCOYFMBBGW-UHFFFAOYSA-N -1 1 349.412 2.766 20 5 EFBDMM CSCC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000736347117 1267582614 /nfs/dbraw/zinc/58/26/14/1267582614.db2.gz SHYBINSSNOUBMO-MRVPVSSYSA-N -1 1 338.838 2.668 20 5 EFBDMM CC(C)CCCCCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000742273665 1269959799 /nfs/dbraw/zinc/95/97/99/1269959799.db2.gz FUSDWQOJOUECME-UHFFFAOYSA-N -1 1 329.422 2.875 20 5 EFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CCCCC1 ZINC000742314365 1269995368 /nfs/dbraw/zinc/99/53/68/1269995368.db2.gz XQARGRLVOFDMOQ-WCQYABFASA-N -1 1 342.392 2.981 20 5 EFBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000744474921 1271060815 /nfs/dbraw/zinc/06/08/15/1271060815.db2.gz GADRUUPGMNBNLT-UHFFFAOYSA-N -1 1 329.308 2.903 20 5 EFBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000744474830 1271060998 /nfs/dbraw/zinc/06/09/98/1271060998.db2.gz YKEXUCGZMVECNF-UHFFFAOYSA-N -1 1 329.308 2.903 20 5 EFBDMM COC(=O)c1n[nH]cc1[N-]c1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001169571872 1273015674 /nfs/dbraw/zinc/01/56/74/1273015674.db2.gz RIPFNEYQVPRKRQ-UHFFFAOYSA-N -1 1 339.311 2.910 20 5 EFBDMM CC(C)CCc1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n[nH]1 ZINC000786897897 1275571236 /nfs/dbraw/zinc/57/12/36/1275571236.db2.gz QMMLJMGIWMVOSS-UHFFFAOYSA-N -1 1 344.418 2.769 20 5 EFBDMM COc1ccc(C(=O)[N-]c2c(C)onc2OC(F)F)cc1[N+](=O)[O-] ZINC000788110006 1276039307 /nfs/dbraw/zinc/03/93/07/1276039307.db2.gz GFXFGPNAPQLRAO-UHFFFAOYSA-N -1 1 343.242 2.754 20 5 EFBDMM CC1(C)CC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815045308 1287266382 /nfs/dbraw/zinc/26/63/82/1287266382.db2.gz QTFMZXSSWZTPKI-NSHDSACASA-N -1 1 336.772 2.854 20 5 EFBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccc[nH]1 ZINC000815029650 1287276848 /nfs/dbraw/zinc/27/68/48/1287276848.db2.gz QNINSSPXHULSLK-SSDOTTSWSA-N -1 1 347.755 2.755 20 5 EFBDMM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815036141 1287281677 /nfs/dbraw/zinc/28/16/77/1287281677.db2.gz RKDOJXGGZNHRJQ-YUMQZZPRSA-N -1 1 336.772 2.854 20 5 EFBDMM CCc1[n-]n(-c2cc([N+](=O)[O-])ccc2Br)c(=O)c1F ZINC000871959945 1287376251 /nfs/dbraw/zinc/37/62/51/1287376251.db2.gz QXTLXVCCEYPUEG-SNVBAGLBSA-N -1 1 330.113 2.808 20 5 EFBDMM CC(C)SCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000805104960 1280440673 /nfs/dbraw/zinc/44/06/73/1280440673.db2.gz FRRCCDHQJRBMCW-UHFFFAOYSA-N -1 1 338.838 2.668 20 5 EFBDMM Nc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1[N+](=O)[O-] ZINC000808071275 1281514952 /nfs/dbraw/zinc/51/49/52/1281514952.db2.gz VESMREYSPWUNIY-UHFFFAOYSA-N -1 1 343.311 2.915 20 5 EFBDMM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809837034 1282498576 /nfs/dbraw/zinc/49/85/76/1282498576.db2.gz ROKHACJRFHZXJE-HTQZYQBOSA-N -1 1 336.772 2.854 20 5 EFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C2CC=CC2)c(Cl)cc1Cl ZINC000809826232 1282528188 /nfs/dbraw/zinc/52/81/88/1282528188.db2.gz WPKBBSXQWNJUBD-UHFFFAOYSA-N -1 1 337.184 2.899 20 5 EFBDMM Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811856247 1284695045 /nfs/dbraw/zinc/69/50/45/1284695045.db2.gz MCPKNWWCUOXKEJ-LLVKDONJSA-N -1 1 345.321 2.798 20 5 EFBDMM CCOC(=O)CC(C)(C)CCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1 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332.428 2.759 20 5 EFBDMM O=c1c2cc(OC[C@H]3C[C@H](O)C3)c([O-])cc2oc2cccc(O)c12 ZINC001218425834 1315194289 /nfs/dbraw/zinc/19/42/89/1315194289.db2.gz IJBHLJIVBSWPLP-MGCOHNPYSA-N -1 1 328.320 2.507 20 5 EFBDMM COc1cc(-c2nc3ccc(N(C)C)cc3[nH]2)cc([N+](=O)[O-])c1[O-] ZINC001250874479 1315285510 /nfs/dbraw/zinc/28/55/10/1315285510.db2.gz LMOXFPRDBBPOLA-UHFFFAOYSA-N -1 1 328.328 2.918 20 5 EFBDMM CCOc1ccc2nc(-c3cc([N+](=O)[O-])c(O)cc3[O-])n(C)c2c1 ZINC001251086523 1315320786 /nfs/dbraw/zinc/32/07/86/1315320786.db2.gz CWOYYJTZJLCAGW-UHFFFAOYSA-N -1 1 329.312 2.958 20 5 EFBDMM CC(=O)c1ccc2c(c1)nc(-c1cc([N+](=O)[O-])c(O)cc1[O-])n2C ZINC001251086457 1315320860 /nfs/dbraw/zinc/32/08/60/1315320860.db2.gz BLXZVWTUQFNBGH-UHFFFAOYSA-N -1 1 327.296 2.762 20 5 EFBDMM CC(=O)c1ccc2c(c1)nc(-c1cc([N+](=O)[O-])c([O-])cc1O)n2C ZINC001251086457 1315320865 /nfs/dbraw/zinc/32/08/65/1315320865.db2.gz BLXZVWTUQFNBGH-UHFFFAOYSA-N -1 1 327.296 2.762 20 5 EFBDMM COc1cccc([C@@H](C(=O)[O-])N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001261890521 1316436605 /nfs/dbraw/zinc/43/66/05/1316436605.db2.gz GKWKYMJFEKBZMV-KRWDZBQOSA-N -1 1 342.351 2.787 20 5 EFBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1N1CCCC1=O ZINC001317929483 1328445159 /nfs/dbraw/zinc/44/51/59/1328445159.db2.gz MKAOZAYUUHLWDM-UHFFFAOYSA-N -1 1 328.328 2.610 20 5 EFBDMM O=C(c1c[n-]c2ccccc2c1=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001322639220 1329475210 /nfs/dbraw/zinc/47/52/10/1329475210.db2.gz ULLWSHKGEBGTEJ-UHFFFAOYSA-N -1 1 335.319 2.639 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2C=CCCC2)cc1Cl ZINC001324096834 1329599367 /nfs/dbraw/zinc/59/93/67/1329599367.db2.gz OTZXEKFVSKOFJE-MRVPVSSYSA-N -1 1 334.756 2.774 20 5 EFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H](F)C1 ZINC001332119119 1330923787 /nfs/dbraw/zinc/92/37/87/1330923787.db2.gz KZOBABJGDGLDFT-ZJUUUORDSA-N -1 1 336.772 2.807 20 5 EFBDMM O=[N+]([O-])c1cccc(-c2cnn(Cc3ccccc3-c3nnn[n-]3)c2)c1 ZINC000826499546 1425727491 /nfs/dbraw/zinc/72/74/91/1425727491.db2.gz MULWRFFJRAFYQG-UHFFFAOYSA-N -1 1 347.338 2.687 20 5 EFBDMM Cc1ccc([C@@H](C)Nc2ncccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822228943 1427674474 /nfs/dbraw/zinc/67/44/74/1427674474.db2.gz JBGZXMNSMVTCJA-SNVBAGLBSA-N -1 1 325.332 2.651 20 5 EFBDMM O=[N+]([O-])c1ccc(F)cc1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000738368964 1428312856 /nfs/dbraw/zinc/31/28/56/1428312856.db2.gz GQHDUAVEVNVPSZ-UHFFFAOYSA-N -1 1 333.254 2.632 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCC[C@@H]1CCCC[C@@H]1O ZINC000823630471 1428838718 /nfs/dbraw/zinc/83/87/18/1428838718.db2.gz XIUFNGRBKQQDOB-NHYWBVRUSA-N -1 1 346.391 2.518 20 5 EFBDMM COC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000821683794 1428997489 /nfs/dbraw/zinc/99/74/89/1428997489.db2.gz KHLRQLGSAIZQME-OAHLLOKOSA-N -1 1 340.343 2.575 20 5 EFBDMM C[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000820770172 1429146419 /nfs/dbraw/zinc/14/64/19/1429146419.db2.gz ZFSMVIMDFFPYLK-MEDUHNTESA-N -1 1 336.355 2.972 20 5 EFBDMM O=[N+]([O-])c1ccc(OCc2cc(F)ccc2-c2nnn[n-]2)cc1F ZINC000823644190 1429332664 /nfs/dbraw/zinc/33/26/64/1429332664.db2.gz GNWITFDXAVBMQH-UHFFFAOYSA-N -1 1 333.254 2.632 20 5 EFBDMM CC[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000820909645 1429391259 /nfs/dbraw/zinc/39/12/59/1429391259.db2.gz ZJHQBRSWODGJEY-NSHDSACASA-N -1 1 339.359 2.776 20 5 EFBDMM CC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1cccc([N+](=O)[O-])c1 ZINC000820925775 1429404950 /nfs/dbraw/zinc/40/49/50/1429404950.db2.gz LVQBJVYBSKXHNG-GFCCVEGCSA-N -1 1 325.332 2.733 20 5 EFBDMM O=[N+]([O-])c1cnc(Sc2ccc(F)c(F)c2)c(-c2nnn[n-]2)c1 ZINC000823650815 1429592736 /nfs/dbraw/zinc/59/27/36/1429592736.db2.gz BGYBZILAUMXBEN-UHFFFAOYSA-N -1 1 336.283 2.599 20 5 EFBDMM C[C@@]1(c2ccccc2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820633394 1429602372 /nfs/dbraw/zinc/60/23/72/1429602372.db2.gz AYWSTQZWMRGNHY-RDJZCZTQSA-N -1 1 336.355 2.917 20 5 EFBDMM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000121128118 1423717879 /nfs/dbraw/zinc/71/78/79/1423717879.db2.gz FOUHGXZKPUHGOY-UHFFFAOYSA-N -1 1 344.718 2.681 20 5 EFBDMM CC(C)(CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000819983808 1423927963 /nfs/dbraw/zinc/92/79/63/1423927963.db2.gz GLNIVVWEEHKALR-AWEZNQCLSA-N -1 1 346.391 2.782 20 5 EFBDMM O=C(Nc1nn[n-]n1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000172325067 1423950749 /nfs/dbraw/zinc/95/07/49/1423950749.db2.gz TZXQJLJRGXWIRI-UHFFFAOYSA-N -1 1 342.340 2.511 20 5 EFBDMM COc1cc(-c2nnn[n-]2)ccc1COc1ccc([N+](=O)[O-])cc1F ZINC000826173134 1429697590 /nfs/dbraw/zinc/69/75/90/1429697590.db2.gz OKSKTDUDXKEXDM-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM C[C@@H]1CCCC[C@H]1CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736271929 1424225387 /nfs/dbraw/zinc/22/53/87/1424225387.db2.gz PIIXGXJHHZJPLC-MNOVXSKESA-N -1 1 331.380 2.798 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCC[C@H]2CCCC[C@@H]2O)c(-c2nnn[n-]2)c1 ZINC000823640269 1424344209 /nfs/dbraw/zinc/34/42/09/1424344209.db2.gz ZQTSXSGHTCQAPX-ABAIWWIYSA-N -1 1 346.391 2.518 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CCc3cccc(F)c32)c(-c2nnn[n-]2)c1 ZINC000823639616 1425363064 /nfs/dbraw/zinc/36/30/64/1425363064.db2.gz DUGRETHZBSOXLM-UHFFFAOYSA-N -1 1 326.291 2.608 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@@H]1c1ccsc1 ZINC000823620963 1425550894 /nfs/dbraw/zinc/55/08/94/1425550894.db2.gz UVNGPKAVDAZPNL-LLVKDONJSA-N -1 1 343.372 2.573 20 5 EFBDMM Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826264034 1425689462 /nfs/dbraw/zinc/68/94/62/1425689462.db2.gz ZXUCCHWQNYNODV-LLVKDONJSA-N -1 1 339.359 2.960 20 5 EFBDMM CN(Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825965711 1426363538 /nfs/dbraw/zinc/36/35/38/1426363538.db2.gz DEICOHOABNWJQY-UHFFFAOYSA-N -1 1 328.307 2.550 20 5 EFBDMM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000820428016 1427395146 /nfs/dbraw/zinc/39/51/46/1427395146.db2.gz WFGDOOMTUVTTOA-SNVBAGLBSA-N -1 1 342.334 2.765 20 5 EFBDMM Cc1ccc(-c2nnn[n-]2)cc1OCc1ccc([N+](=O)[O-])cc1F ZINC000822221658 1427583217 /nfs/dbraw/zinc/58/32/17/1427583217.db2.gz ZNTRRHBYCFDISF-UHFFFAOYSA-N -1 1 329.291 2.801 20 5 EFBDMM CN(Cc1ccc(-c2nnn[n-]2)o1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000825962238 1427664091 /nfs/dbraw/zinc/66/40/91/1427664091.db2.gz URXSNPIRRMBHCA-UHFFFAOYSA-N -1 1 348.750 2.653 20 5 EFBDMM Cc1ccccc1CSc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822362219 1428192315 /nfs/dbraw/zinc/19/23/15/1428192315.db2.gz OVXYPUKHOILNRV-UHFFFAOYSA-N -1 1 328.357 2.771 20 5 EFBDMM Cc1ccc([C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)cc1[N+](=O)[O-] ZINC000822229448 1429825490 /nfs/dbraw/zinc/82/54/90/1429825490.db2.gz VAAUCSAWWZPDED-JTQLQIEISA-N -1 1 325.332 2.651 20 5 EFBDMM COc1cc(F)c([N+](=O)[O-])c(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821719366 1429943940 /nfs/dbraw/zinc/94/39/40/1429943940.db2.gz CQLPMNPFLAVXDS-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM O=[N+]([O-])c1cc(CNC2(c3cccc(-c4nnn[n-]4)c3)CC2)cs1 ZINC000826497328 1429956956 /nfs/dbraw/zinc/95/69/56/1429956956.db2.gz CPKZRUUXJDNIPJ-UHFFFAOYSA-N -1 1 342.384 2.615 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@H]1c1ccncc1 ZINC000826497753 1430063167 /nfs/dbraw/zinc/06/31/67/1430063167.db2.gz SWJUFJWDMIOEKC-CYBMUJFWSA-N -1 1 337.343 2.511 20 5 EFBDMM O=[N+]([O-])c1cc(F)cc(Oc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000823634753 1430184082 /nfs/dbraw/zinc/18/40/82/1430184082.db2.gz LNBLTEZLWNGLBT-UHFFFAOYSA-N -1 1 336.670 2.755 20 5 EFBDMM Cc1cc([N+](=O)[O-])ccc1OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000826272403 1441427564 /nfs/dbraw/zinc/42/75/64/1441427564.db2.gz HQJVPYNUWSCZOL-UHFFFAOYSA-N -1 1 329.291 2.801 20 5 EFBDMM COc1cc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000821719418 1441484009 /nfs/dbraw/zinc/48/40/09/1441484009.db2.gz DRFXMSVEEJNXOJ-SNVBAGLBSA-N -1 1 340.343 2.957 20 5 EFBDMM CCc1ccc([C@@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821482257 1441646669 /nfs/dbraw/zinc/64/66/69/1441646669.db2.gz RNXJXOKDQZTHPE-SNVBAGLBSA-N -1 1 339.359 2.905 20 5 EFBDMM O=[N+]([O-])c1ccc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000738369571 1441793490 /nfs/dbraw/zinc/79/34/90/1441793490.db2.gz IYQSGEFTRUYCBG-UHFFFAOYSA-N -1 1 347.338 2.687 20 5 EFBDMM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1c(C)noc1C ZINC000825147975 1442095152 /nfs/dbraw/zinc/09/51/52/1442095152.db2.gz MZGKICURMNFJNY-LBPRGKRZSA-N -1 1 343.347 2.943 20 5 EFBDMM Cc1noc(C)c1[C@@H](C)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826339327 1442258154 /nfs/dbraw/zinc/25/81/54/1442258154.db2.gz ZTJZISKSSUSBFE-QMMMGPOBSA-N -1 1 343.347 2.595 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000737367864 1442405275 /nfs/dbraw/zinc/40/52/75/1442405275.db2.gz BGCCVJKMKAVGHE-UHFFFAOYSA-N -1 1 338.327 2.644 20 5 EFBDMM Cc1noc(C)c1[C@H](C)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826339326 1443194874 /nfs/dbraw/zinc/19/48/74/1443194874.db2.gz ZTJZISKSSUSBFE-MRVPVSSYSA-N -1 1 343.347 2.595 20 5 EFBDMM CC[C@@H](C)n1nc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1C ZINC000825080952 1443211894 /nfs/dbraw/zinc/21/18/94/1443211894.db2.gz DHGOSWAGRILWEQ-SECBINFHSA-N -1 1 342.363 2.994 20 5 EFBDMM O=[N+]([O-])c1ccc(COc2ccc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC000823640277 1443423876 /nfs/dbraw/zinc/42/38/76/1443423876.db2.gz ZZNUQZVLWCWMMJ-UHFFFAOYSA-N -1 1 333.254 2.632 20 5 EFBDMM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000820508548 1443830465 /nfs/dbraw/zinc/83/04/65/1443830465.db2.gz RJUFKIOKVORXSI-MRVPVSSYSA-N -1 1 345.340 2.754 20 5 EFBDMM C[C@@H](NCc1cc(-c2nnn[n-]2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000820426383 1444006440 /nfs/dbraw/zinc/00/64/40/1444006440.db2.gz JESHZYNFWXQNMF-SNVBAGLBSA-N -1 1 342.334 2.765 20 5 EFBDMM Cc1cc(-c2nn[n-]n2)ccc1-c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000826243374 1446121475 /nfs/dbraw/zinc/12/14/75/1446121475.db2.gz GRRMPXBWGLARBR-UHFFFAOYSA-N -1 1 349.310 2.800 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@H](CCO)C2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000738370865 1446134922 /nfs/dbraw/zinc/13/49/22/1446134922.db2.gz RFNPCOOIUPMSFN-CQSZACIVSA-N -1 1 346.391 2.518 20 5 EFBDMM COc1ccc(-c2nnn[n-]2)cc1COc1ccc([N+](=O)[O-])c(F)c1 ZINC000821749328 1446280306 /nfs/dbraw/zinc/28/03/06/1446280306.db2.gz HAZQCTRSYLUWJY-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM Cc1ccc(CC[C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC000822236267 1446300517 /nfs/dbraw/zinc/30/05/17/1446300517.db2.gz RNSUTNOIOIFOAA-SECBINFHSA-N -1 1 343.347 2.505 20 5 EFBDMM CC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000824029696 1446350051 /nfs/dbraw/zinc/35/00/51/1446350051.db2.gz POYUSLKBXRXUHH-UHFFFAOYSA-N -1 1 343.274 2.909 20 5 EFBDMM CC(C)[C@@H]1OCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820051907 1446526624 /nfs/dbraw/zinc/52/66/24/1446526624.db2.gz XNWLVWAGTLWEEQ-NHYWBVRUSA-N -1 1 346.391 2.638 20 5 EFBDMM O=[N+]([O-])c1ccc2nc(NCc3ccoc3)cc(-c3nnn[n-]3)c2c1 ZINC000823644253 1446930388 /nfs/dbraw/zinc/93/03/88/1446930388.db2.gz HYCRVLIMJXDKEO-UHFFFAOYSA-N -1 1 337.299 2.528 20 5 EFBDMM C[C@@H](NCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1[N+](=O)[O-] ZINC000824619662 1447096686 /nfs/dbraw/zinc/09/66/86/1447096686.db2.gz YJDXCGMISHNBBV-SNVBAGLBSA-N -1 1 342.334 2.765 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CC[C@@H]2c2cccc(F)c2)c(-c2nnn[n-]2)c1 ZINC000823640069 1447225517 /nfs/dbraw/zinc/22/55/17/1447225517.db2.gz QZDABOSIRKNJEB-CQSZACIVSA-N -1 1 340.318 2.865 20 5 EFBDMM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)ccc1[N+](=O)[O-] ZINC000822176994 1449422862 /nfs/dbraw/zinc/42/28/62/1449422862.db2.gz QZFMHWPDTZIYPZ-UHFFFAOYSA-N -1 1 338.327 2.644 20 5 EFBDMM Cc1c(NCc2ccc(F)c(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000822121306 1449704440 /nfs/dbraw/zinc/70/44/40/1449704440.db2.gz DFXMZERNLFQLPG-UHFFFAOYSA-N -1 1 328.307 2.835 20 5 EFBDMM C[C@H]1C[C@H](C)N(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820659693 1449951654 /nfs/dbraw/zinc/95/16/54/1449951654.db2.gz ZTLWWVVRNLZUAM-UWVGGRQHSA-N -1 1 339.359 2.558 20 5 EFBDMM Cc1cccc([C@H](C)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000822289563 1450138532 /nfs/dbraw/zinc/13/85/32/1450138532.db2.gz ZQOUTEHEKZLOSE-LLVKDONJSA-N -1 1 339.359 2.694 20 5 EFBDMM CCC(=O)c1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000820841835 1450165491 /nfs/dbraw/zinc/16/54/91/1450165491.db2.gz GDAFHCJMYJZWLG-UHFFFAOYSA-N -1 1 340.299 2.555 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCc2ccc(Cl)cc21 ZINC000823620404 1450171649 /nfs/dbraw/zinc/17/16/49/1450171649.db2.gz KWMHVPMFYFJUTA-UHFFFAOYSA-N -1 1 343.734 2.518 20 5 EFBDMM C[C@@H]1C[C@H](C)N(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820659695 1450299687 /nfs/dbraw/zinc/29/96/87/1450299687.db2.gz ZTLWWVVRNLZUAM-ZJUUUORDSA-N -1 1 339.359 2.558 20 5 EFBDMM O=[N+]([O-])c1cc(F)ccc1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000738361703 1450326455 /nfs/dbraw/zinc/32/64/55/1450326455.db2.gz YWVAFKWIZDKJJS-UHFFFAOYSA-N -1 1 333.254 2.632 20 5 EFBDMM O=[N+]([O-])c1cc(F)cc(OCc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC000823634153 1450402904 /nfs/dbraw/zinc/40/29/04/1450402904.db2.gz BBZSCNFFXYHTLT-UHFFFAOYSA-N -1 1 333.254 2.632 20 5 EFBDMM CS[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC000866886139 719763316 /nfs/dbraw/zinc/76/33/16/719763316.db2.gz XQHKAJASZDJQTQ-VHSXEESVSA-N -1 1 348.421 2.605 20 5 EFBDMM CC(C)C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000753375514 726282649 /nfs/dbraw/zinc/28/26/49/726282649.db2.gz AAFAPTQRGRLQCC-UHFFFAOYSA-N -1 1 332.809 2.963 20 5 EFBDMM C[C@H](Cc1ccccc1Cl)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000915650607 727109910 /nfs/dbraw/zinc/10/99/10/727109910.db2.gz NZLUCDDCBSVAPA-SECBINFHSA-N -1 1 335.747 2.710 20 5 EFBDMM O=C(CSCc1ccccc1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000916596531 727699919 /nfs/dbraw/zinc/69/99/19/727699919.db2.gz BBGVXJAIHBUMHO-UHFFFAOYSA-N -1 1 330.365 2.785 20 5 EFBDMM Cc1n[nH]c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1C ZINC000151414480 727849787 /nfs/dbraw/zinc/84/97/87/727849787.db2.gz JCEIYMJCCRKWPV-UHFFFAOYSA-N -1 1 344.780 2.697 20 5 EFBDMM COCc1cccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000171329886 728530007 /nfs/dbraw/zinc/53/00/07/728530007.db2.gz REQQFXGXUHOIRK-UHFFFAOYSA-N -1 1 340.332 2.681 20 5 EFBDMM CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccncc1 ZINC000173225133 728618740 /nfs/dbraw/zinc/61/87/40/728618740.db2.gz FJMURPZBJWVWIL-LBPRGKRZSA-N -1 1 339.348 2.559 20 5 EFBDMM C[C@H]1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC12CCC2 ZINC001576214255 950666367 /nfs/dbraw/zinc/66/63/67/950666367.db2.gz NZEQWEMANQEUGB-VIFPVBQESA-N -1 1 334.405 2.853 20 5 EFBDMM C[C@H]1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC12CCC2 ZINC001576214255 950666384 /nfs/dbraw/zinc/66/63/84/950666384.db2.gz NZEQWEMANQEUGB-VIFPVBQESA-N -1 1 334.405 2.853 20 5 EFBDMM COc1cc([N+](=O)[O-])ccc1CN[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594068024 958160002 /nfs/dbraw/zinc/16/00/02/958160002.db2.gz SSNMDEGMKUGPHA-OAHLLOKOSA-N -1 1 334.303 2.658 20 5 EFBDMM C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C(=O)[O-] ZINC000235363037 960422041 /nfs/dbraw/zinc/42/20/41/960422041.db2.gz KMPDDICZIOHOGY-LDYMZIIASA-N -1 1 343.177 2.510 20 5 EFBDMM C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)C[C@H]1C(=O)[O-] ZINC000235371670 960423646 /nfs/dbraw/zinc/42/36/46/960423646.db2.gz KEWONVOYEWCBLM-PSASIEDQSA-N -1 1 343.177 2.510 20 5 EFBDMM O=C([O-])C[C@@H]1CCCN1Cc1cccc([N+](=O)[O-])c1Br ZINC000236430787 960589317 /nfs/dbraw/zinc/58/93/17/960589317.db2.gz NBIGGWSEUHXJRV-JTQLQIEISA-N -1 1 343.177 2.796 20 5 EFBDMM COc1cc(CN2CCCC[C@H]2CCC(=O)[O-])c([N+](=O)[O-])cc1F ZINC001604709499 973911685 /nfs/dbraw/zinc/91/16/85/973911685.db2.gz SFWQDRKAGXPXSA-LBPRGKRZSA-N -1 1 340.351 2.962 20 5 EFBDMM C[C@](CC(=O)[O-])(NCc1ccc([N+](=O)[O-])c(F)c1)c1ccncc1 ZINC001592327558 977742339 /nfs/dbraw/zinc/74/23/39/977742339.db2.gz CMZHHTKMGFVXIM-MRXNPFEDSA-N -1 1 333.319 2.609 20 5 EFBDMM O=C([O-])[C@H](CC(F)(F)F)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000901777352 980507282 /nfs/dbraw/zinc/50/72/82/980507282.db2.gz AXOGEHGUOJCHKJ-VIFPVBQESA-N -1 1 326.658 2.743 20 5 EFBDMM O=C([O-])[C@@H](CC(F)(F)F)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000901780642 980511076 /nfs/dbraw/zinc/51/10/76/980511076.db2.gz QZNRSEWXKAZQHD-SECBINFHSA-N -1 1 326.658 2.743 20 5 EFBDMM O=C([O-])[C@@]1(C(F)(F)F)CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000901785090 980514951 /nfs/dbraw/zinc/51/49/51/980514951.db2.gz CIMDLCYCOPHVCZ-LYKUJDHUSA-N -1 1 344.289 2.947 20 5 EFBDMM C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1cccc([N+](=O)[O-])c1 ZINC001598524325 992699648 /nfs/dbraw/zinc/69/96/48/992699648.db2.gz XXMYSDIOVMJJFH-UHFFFAOYSA-N -1 1 330.340 2.690 20 5 EFBDMM CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1cccc([N+](=O)[O-])c1 ZINC001598524325 992699649 /nfs/dbraw/zinc/69/96/49/992699649.db2.gz XXMYSDIOVMJJFH-UHFFFAOYSA-N -1 1 330.340 2.690 20 5 EFBDMM COc1cc(CN2[C@H](C)CC(C(=O)[O-])C[C@H]2C)c([N+](=O)[O-])cc1F ZINC001599407568 997352165 /nfs/dbraw/zinc/35/21/65/997352165.db2.gz UOUZTSMJESHBRX-NXEZZACHSA-N -1 1 340.351 2.816 20 5 EFBDMM C[C@H]1CC[C@](NCc2cccnc2[N+](=O)[O-])(C(=O)[O-])c2ccccc21 ZINC001594319968 999229787 /nfs/dbraw/zinc/22/97/87/999229787.db2.gz HNSXSXGULVGPET-KPZWWZAWSA-N -1 1 341.367 2.957 20 5 EFBDMM C[C@H](OC(=O)c1csc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC001575486102 1088501827 /nfs/dbraw/zinc/50/18/27/1088501827.db2.gz OJIRIHKNCLIIQO-QMMMGPOBSA-N -1 1 345.340 2.754 20 5 EFBDMM C[C@H](OC(=O)c1csc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC001575486102 1088501836 /nfs/dbraw/zinc/50/18/36/1088501836.db2.gz OJIRIHKNCLIIQO-QMMMGPOBSA-N -1 1 345.340 2.754 20 5 EFBDMM C[C@@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1cncc(F)c1 ZINC001580308092 1090857080 /nfs/dbraw/zinc/85/70/80/1090857080.db2.gz GEUKKFMAFKMONX-ZCFIWIBFSA-N -1 1 335.324 2.544 20 5 EFBDMM C[C@@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1cncc(F)c1 ZINC001580308092 1090857082 /nfs/dbraw/zinc/85/70/82/1090857082.db2.gz GEUKKFMAFKMONX-ZCFIWIBFSA-N -1 1 335.324 2.544 20 5 EFBDMM Cc1c(Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cccc1N(C)C ZINC001580559913 1090948825 /nfs/dbraw/zinc/94/88/25/1090948825.db2.gz NNNNLUQJRHJBJZ-UHFFFAOYSA-N -1 1 345.388 2.954 20 5 EFBDMM Cc1c(Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cccc1N(C)C ZINC001580559913 1090948831 /nfs/dbraw/zinc/94/88/31/1090948831.db2.gz NNNNLUQJRHJBJZ-UHFFFAOYSA-N -1 1 345.388 2.954 20 5 EFBDMM Cc1cc(COC(=O)c2csc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC001580928650 1091043670 /nfs/dbraw/zinc/04/36/70/1091043670.db2.gz WPJBCJGRGOAYIT-UHFFFAOYSA-N -1 1 345.340 2.502 20 5 EFBDMM Cc1cc(COC(=O)c2csc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC001580928650 1091043675 /nfs/dbraw/zinc/04/36/75/1091043675.db2.gz WPJBCJGRGOAYIT-UHFFFAOYSA-N -1 1 345.340 2.502 20 5 EFBDMM Cc1cc(CSc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])no1 ZINC001580929689 1091044922 /nfs/dbraw/zinc/04/49/22/1091044922.db2.gz RBAWQWZEBASREG-UHFFFAOYSA-N -1 1 336.308 2.503 20 5 EFBDMM Cc1ccc([C@H](C)OC(=O)c2coc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC001581213900 1091095183 /nfs/dbraw/zinc/09/51/83/1091095183.db2.gz PRWZGXJUZUPFGS-VIFPVBQESA-N -1 1 343.299 2.594 20 5 EFBDMM Cc1ccc([C@H](C)OC(=O)c2coc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC001581213900 1091095190 /nfs/dbraw/zinc/09/51/90/1091095190.db2.gz PRWZGXJUZUPFGS-VIFPVBQESA-N -1 1 343.299 2.594 20 5 EFBDMM CC(C)(C)[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCO1 ZINC001589099595 1093030646 /nfs/dbraw/zinc/03/06/46/1093030646.db2.gz PGVDTQDMRMYIGT-RISCZKNCSA-N -1 1 346.391 2.781 20 5 EFBDMM CC(C)(CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC001589292693 1093068080 /nfs/dbraw/zinc/06/80/80/1093068080.db2.gz HTYNTZMBNRSCLP-UHFFFAOYSA-N -1 1 346.391 2.640 20 5 EFBDMM CC(C)C[C@H]1OCCC[C@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001589573353 1093109242 /nfs/dbraw/zinc/10/92/42/1093109242.db2.gz JSJPEVZMGLHYLO-UKRRQHHQSA-N -1 1 346.391 2.781 20 5 EFBDMM C[C@H](O)c1ccc(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cc1 ZINC001590003090 1093216364 /nfs/dbraw/zinc/21/63/64/1093216364.db2.gz LLNDJMOGCMCNHJ-QMMMGPOBSA-N -1 1 346.372 2.502 20 5 EFBDMM C[C@H](O)c1ccc(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cc1 ZINC001590003090 1093216372 /nfs/dbraw/zinc/21/63/72/1093216372.db2.gz LLNDJMOGCMCNHJ-QMMMGPOBSA-N -1 1 346.372 2.502 20 5 EFBDMM CC1(C)C[C@@H](Sc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CO1 ZINC001590084329 1093258414 /nfs/dbraw/zinc/25/84/14/1093258414.db2.gz BSUQJQSSGOJMIX-SSDOTTSWSA-N -1 1 339.352 2.574 20 5 EFBDMM C[C@@]1(CCNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C[C@@]1(F)Cl ZINC001590126550 1093277925 /nfs/dbraw/zinc/27/79/25/1093277925.db2.gz FNMFDHOCJLKJKH-MNOVXSKESA-N -1 1 346.775 2.953 20 5 EFBDMM C[C@@]1(CCNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C[C@@]1(F)Cl ZINC001590126550 1093277928 /nfs/dbraw/zinc/27/79/28/1093277928.db2.gz FNMFDHOCJLKJKH-MNOVXSKESA-N -1 1 346.775 2.953 20 5 EFBDMM C[C@@]1(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1(Cl)Cl ZINC001590133370 1093280205 /nfs/dbraw/zinc/28/02/05/1093280205.db2.gz AOQFEDLBCUPWDO-VIFPVBQESA-N -1 1 349.203 2.832 20 5 EFBDMM C[C@@]1(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1(Cl)Cl ZINC001590133370 1093280209 /nfs/dbraw/zinc/28/02/09/1093280209.db2.gz AOQFEDLBCUPWDO-VIFPVBQESA-N -1 1 349.203 2.832 20 5 EFBDMM C[C@@H]1[C@@H](C(F)(F)F)CCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590167108 1093295007 /nfs/dbraw/zinc/29/50/07/1093295007.db2.gz KSMHYIJLHSXPDV-XCBNKYQSSA-N -1 1 342.281 2.552 20 5 EFBDMM C[C@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@@H](C)C1 ZINC001590189263 1093299019 /nfs/dbraw/zinc/29/90/19/1093299019.db2.gz VNFOSCNCZYEEAY-MYJAWHEDSA-N -1 1 331.380 2.594 20 5 EFBDMM C[C@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@@H](C)C1 ZINC001590189263 1093299026 /nfs/dbraw/zinc/29/90/26/1093299026.db2.gz VNFOSCNCZYEEAY-MYJAWHEDSA-N -1 1 331.380 2.594 20 5 EFBDMM C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC12CCC2 ZINC001590274639 1093356492 /nfs/dbraw/zinc/35/64/92/1093356492.db2.gz NRUMLDXTGOCZJC-LLVKDONJSA-N -1 1 328.376 2.791 20 5 EFBDMM C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC12CCC2 ZINC001590274639 1093356501 /nfs/dbraw/zinc/35/65/01/1093356501.db2.gz NRUMLDXTGOCZJC-LLVKDONJSA-N -1 1 328.376 2.791 20 5 EFBDMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C[C@@H](C)C1(F)F ZINC001590311350 1093369186 /nfs/dbraw/zinc/36/91/86/1093369186.db2.gz CXMYBFWFGALEGR-RNFRBKRXSA-N -1 1 344.347 2.564 20 5 EFBDMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C[C@@H](C)C1(F)F ZINC001590311350 1093369191 /nfs/dbraw/zinc/36/91/91/1093369191.db2.gz CXMYBFWFGALEGR-RNFRBKRXSA-N -1 1 344.347 2.564 20 5 EFBDMM C/C=C\C[C@H]1CCCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001590355923 1093388771 /nfs/dbraw/zinc/38/87/71/1093388771.db2.gz WPINDFWPXQZAOL-DLGQBQFBSA-N -1 1 328.376 2.958 20 5 EFBDMM C/C=C\C[C@H]1CCCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001590355923 1093388782 /nfs/dbraw/zinc/38/87/82/1093388782.db2.gz WPINDFWPXQZAOL-DLGQBQFBSA-N -1 1 328.376 2.958 20 5 EFBDMM CC[C@H](CC(F)(F)F)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590422238 1093416206 /nfs/dbraw/zinc/41/62/06/1093416206.db2.gz QZVSTUOPBLMJRS-SSDOTTSWSA-N -1 1 330.270 2.918 20 5 EFBDMM CC[C@H](CC(F)(F)F)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590422238 1093416212 /nfs/dbraw/zinc/41/62/12/1093416212.db2.gz QZVSTUOPBLMJRS-SSDOTTSWSA-N -1 1 330.270 2.918 20 5 EFBDMM CCC(CC)(CC)CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590427060 1093418502 /nfs/dbraw/zinc/41/85/02/1093418502.db2.gz QIKUDQBBBXIIPK-UHFFFAOYSA-N -1 1 333.396 2.985 20 5 EFBDMM CCC(CC)(CC)CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590427060 1093418505 /nfs/dbraw/zinc/41/85/05/1093418505.db2.gz QIKUDQBBBXIIPK-UHFFFAOYSA-N -1 1 333.396 2.985 20 5 EFBDMM CC[C@H](CSC)N(C)c1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590447373 1093423703 /nfs/dbraw/zinc/42/37/03/1093423703.db2.gz NQMPYCIAEZNWOR-SNVBAGLBSA-N -1 1 336.421 2.661 20 5 EFBDMM CC[C@H](CSC)N(C)c1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590447373 1093423706 /nfs/dbraw/zinc/42/37/06/1093423706.db2.gz NQMPYCIAEZNWOR-SNVBAGLBSA-N -1 1 336.421 2.661 20 5 EFBDMM CC[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1nccs1 ZINC001590473580 1093446245 /nfs/dbraw/zinc/44/62/45/1093446245.db2.gz QKESXDRCMFFIBQ-JTQLQIEISA-N -1 1 331.361 2.795 20 5 EFBDMM CC[C@@H](OC(=O)c1coc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC001590857465 1093603657 /nfs/dbraw/zinc/60/36/57/1093603657.db2.gz SHJXVAIEUKZOPQ-GFCCVEGCSA-N -1 1 343.299 2.676 20 5 EFBDMM CC[C@@H](OC(=O)c1coc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC001590857465 1093603661 /nfs/dbraw/zinc/60/36/61/1093603661.db2.gz SHJXVAIEUKZOPQ-GFCCVEGCSA-N -1 1 343.299 2.676 20 5 EFBDMM CCc1nc(CNc2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)cs1 ZINC001590914067 1093630587 /nfs/dbraw/zinc/63/05/87/1093630587.db2.gz ZZFDFBPSGKFSSJ-UHFFFAOYSA-N -1 1 345.388 2.714 20 5 EFBDMM CCc1nc(CNc2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)cs1 ZINC001590914067 1093630589 /nfs/dbraw/zinc/63/05/89/1093630589.db2.gz ZZFDFBPSGKFSSJ-UHFFFAOYSA-N -1 1 345.388 2.714 20 5 EFBDMM CN(C)c1cccc(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])c1 ZINC001591034997 1093656354 /nfs/dbraw/zinc/65/63/54/1093656354.db2.gz XGJJFZBORLGXAR-UHFFFAOYSA-N -1 1 345.388 2.515 20 5 EFBDMM CN(C)c1cccc(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])c1 ZINC001591034997 1093656363 /nfs/dbraw/zinc/65/63/63/1093656363.db2.gz XGJJFZBORLGXAR-UHFFFAOYSA-N -1 1 345.388 2.515 20 5 EFBDMM CN(Cc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591140230 1093669619 /nfs/dbraw/zinc/66/96/19/1093669619.db2.gz VGMHJZFGJGVRKW-UHFFFAOYSA-N -1 1 346.297 2.690 20 5 EFBDMM CN(Cc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591140230 1093669620 /nfs/dbraw/zinc/66/96/20/1093669620.db2.gz VGMHJZFGJGVRKW-UHFFFAOYSA-N -1 1 346.297 2.690 20 5 EFBDMM CN(Cc1ccc(F)cc1F)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591140362 1093670576 /nfs/dbraw/zinc/67/05/76/1093670576.db2.gz UYUOROGDTKPRTG-UHFFFAOYSA-N -1 1 346.297 2.690 20 5 EFBDMM CN(Cc1ccc(F)cc1F)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591140362 1093670589 /nfs/dbraw/zinc/67/05/89/1093670589.db2.gz UYUOROGDTKPRTG-UHFFFAOYSA-N -1 1 346.297 2.690 20 5 EFBDMM CN(Cc1ccc(F)cc1)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591140033 1093670746 /nfs/dbraw/zinc/67/07/46/1093670746.db2.gz JZUOSFZABFNSGZ-UHFFFAOYSA-N -1 1 334.336 2.612 20 5 EFBDMM CN(Cc1ccc(F)cc1)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591140033 1093670753 /nfs/dbraw/zinc/67/07/53/1093670753.db2.gz JZUOSFZABFNSGZ-UHFFFAOYSA-N -1 1 334.336 2.612 20 5 EFBDMM COC1(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCCCCC1 ZINC001591343289 1093700348 /nfs/dbraw/zinc/70/03/48/1093700348.db2.gz RJNYJESDALNFBS-UHFFFAOYSA-N -1 1 346.391 2.926 20 5 EFBDMM COC1(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCCCCC1 ZINC001591343289 1093700353 /nfs/dbraw/zinc/70/03/53/1093700353.db2.gz RJNYJESDALNFBS-UHFFFAOYSA-N -1 1 346.391 2.926 20 5 EFBDMM COCC(C)(C)CCCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591368509 1093705998 /nfs/dbraw/zinc/70/59/98/1093705998.db2.gz MBYGGOSDUAYNFY-UHFFFAOYSA-N -1 1 334.380 2.640 20 5 EFBDMM COC[C@H](CC(C)(C)C)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591376000 1093708730 /nfs/dbraw/zinc/70/87/30/1093708730.db2.gz OMWBSCVWCBEUJQ-NSHDSACASA-N -1 1 334.380 2.638 20 5 EFBDMM COC[C@H](CC(C)(C)C)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591376000 1093708737 /nfs/dbraw/zinc/70/87/37/1093708737.db2.gz OMWBSCVWCBEUJQ-NSHDSACASA-N -1 1 334.380 2.638 20 5 EFBDMM COCC1CCC(Nc2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001591392202 1093714963 /nfs/dbraw/zinc/71/49/63/1093714963.db2.gz IWAFMHUVFBNYFK-UHFFFAOYSA-N -1 1 346.391 2.700 20 5 EFBDMM COCC1CCC(Nc2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001591392202 1093714968 /nfs/dbraw/zinc/71/49/68/1093714968.db2.gz IWAFMHUVFBNYFK-UHFFFAOYSA-N -1 1 346.391 2.700 20 5 EFBDMM COc1ccc(Sc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cc1 ZINC001591621070 1093802050 /nfs/dbraw/zinc/80/20/50/1093802050.db2.gz BBYMRQHZNPFQDJ-UHFFFAOYSA-N -1 1 335.370 2.996 20 5 EFBDMM COc1ccc(Sc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cc1 ZINC001591621070 1093802055 /nfs/dbraw/zinc/80/20/55/1093802055.db2.gz BBYMRQHZNPFQDJ-UHFFFAOYSA-N -1 1 335.370 2.996 20 5 EFBDMM CSCC[C@H](C)N(C)c1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591698046 1093831983 /nfs/dbraw/zinc/83/19/83/1093831983.db2.gz HLSSPLGAHWUEJD-JTQLQIEISA-N -1 1 336.421 2.661 20 5 EFBDMM CSCC[C@H](C)N(C)c1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591698046 1093831987 /nfs/dbraw/zinc/83/19/87/1093831987.db2.gz HLSSPLGAHWUEJD-JTQLQIEISA-N -1 1 336.421 2.661 20 5 EFBDMM Cc1cc(F)ccc1CCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591992376 1093949808 /nfs/dbraw/zinc/94/98/08/1093949808.db2.gz LXUSMRWUFDKYGF-UHFFFAOYSA-N -1 1 342.334 2.877 20 5 EFBDMM Cc1cc(N2CC[C@H](c3ccco3)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592001660 1093952516 /nfs/dbraw/zinc/95/25/16/1093952516.db2.gz BLCADNWOUBGJBN-NSHDSACASA-N -1 1 340.343 2.670 20 5 EFBDMM Cc1cc(N2CC[C@H](c3ccco3)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592001660 1093952520 /nfs/dbraw/zinc/95/25/20/1093952520.db2.gz BLCADNWOUBGJBN-NSHDSACASA-N -1 1 340.343 2.670 20 5 EFBDMM Cc1cc(N2CCC(F)(F)C[C@@H]2C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592001961 1093952782 /nfs/dbraw/zinc/95/27/82/1093952782.db2.gz RRZPLWPHZILPAC-VIFPVBQESA-N -1 1 338.318 2.707 20 5 EFBDMM Cc1cc(N2CCC(F)(F)C[C@@H]2C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592001961 1093952783 /nfs/dbraw/zinc/95/27/83/1093952783.db2.gz RRZPLWPHZILPAC-VIFPVBQESA-N -1 1 338.318 2.707 20 5 EFBDMM Cc1cc(NCC(C)(C)[C@@H](O)C(C)C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592038787 1093963645 /nfs/dbraw/zinc/96/36/45/1093963645.db2.gz LUHBHVTWIDTEDH-AWEZNQCLSA-N -1 1 348.407 2.538 20 5 EFBDMM Cc1cc(NCC(C)(C)[C@@H](O)C(C)C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592038787 1093963649 /nfs/dbraw/zinc/96/36/49/1093963649.db2.gz LUHBHVTWIDTEDH-AWEZNQCLSA-N -1 1 348.407 2.538 20 5 EFBDMM Cc1cc(NCCC[C@H]2CCCCO2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592046702 1093966261 /nfs/dbraw/zinc/96/62/61/1093966261.db2.gz FVWRSKREGUSUSE-CYBMUJFWSA-N -1 1 346.391 2.845 20 5 EFBDMM Cc1cc(NCCC[C@H]2CCCCO2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592046702 1093966264 /nfs/dbraw/zinc/96/62/64/1093966264.db2.gz FVWRSKREGUSUSE-CYBMUJFWSA-N -1 1 346.391 2.845 20 5 EFBDMM Cc1cc(NCCCc2ccccn2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592048923 1093967207 /nfs/dbraw/zinc/96/72/07/1093967207.db2.gz VYDZJUVSSPVLKQ-UHFFFAOYSA-N -1 1 339.359 2.523 20 5 EFBDMM Cc1cc(NCCCc2ccccn2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592048923 1093967210 /nfs/dbraw/zinc/96/72/10/1093967210.db2.gz VYDZJUVSSPVLKQ-UHFFFAOYSA-N -1 1 339.359 2.523 20 5 EFBDMM Cc1cc(NCCOCC2CCCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592050375 1093967223 /nfs/dbraw/zinc/96/72/23/1093967223.db2.gz NXKKCGQBWGBIIE-UHFFFAOYSA-N -1 1 346.391 2.702 20 5 EFBDMM Cc1cc(NCCOCC2CCCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592050375 1093967227 /nfs/dbraw/zinc/96/72/27/1093967227.db2.gz NXKKCGQBWGBIIE-UHFFFAOYSA-N -1 1 346.391 2.702 20 5 EFBDMM Cc1cc(N[C@H]2C[C@@H](OC(C)(C)C)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592055388 1093968256 /nfs/dbraw/zinc/96/82/56/1093968256.db2.gz RAAJTQJBPWRIJY-TXEJJXNPSA-N -1 1 346.391 2.841 20 5 EFBDMM Cc1cc(N[C@H]2C[C@@H](OC(C)(C)C)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592055388 1093968261 /nfs/dbraw/zinc/96/82/61/1093968261.db2.gz RAAJTQJBPWRIJY-TXEJJXNPSA-N -1 1 346.391 2.841 20 5 EFBDMM Cc1ccc(CN(C)c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)s1 ZINC001592152145 1094002137 /nfs/dbraw/zinc/00/21/37/1094002137.db2.gz HCOLIMKZKWDORD-UHFFFAOYSA-N -1 1 330.373 2.781 20 5 EFBDMM Cc1ccc(CN(C)c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)s1 ZINC001592152145 1094002143 /nfs/dbraw/zinc/00/21/43/1094002143.db2.gz HCOLIMKZKWDORD-UHFFFAOYSA-N -1 1 330.373 2.781 20 5 EFBDMM Cc1ccc(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cc1F ZINC001592166763 1094010902 /nfs/dbraw/zinc/01/09/02/1094010902.db2.gz GNLBBFDTANCGMO-UHFFFAOYSA-N -1 1 334.336 2.896 20 5 EFBDMM Cc1ccc(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cc1F ZINC001592166763 1094010909 /nfs/dbraw/zinc/01/09/09/1094010909.db2.gz GNLBBFDTANCGMO-UHFFFAOYSA-N -1 1 334.336 2.896 20 5 EFBDMM Cc1noc(C)c1[C@@H](C)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001592456149 1094107900 /nfs/dbraw/zinc/10/79/00/1094107900.db2.gz JZDZZDAMGXEPQD-SSDOTTSWSA-N -1 1 329.320 2.553 20 5 EFBDMM Cc1noc(C)c1[C@@H](C)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001592456149 1094107901 /nfs/dbraw/zinc/10/79/01/1094107901.db2.gz JZDZZDAMGXEPQD-SSDOTTSWSA-N -1 1 329.320 2.553 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(C2CC2)cc1 ZINC001593465739 1094309976 /nfs/dbraw/zinc/30/99/76/1094309976.db2.gz YFPZBICCRPVUTP-UHFFFAOYSA-N -1 1 337.343 2.659 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(C2CC2)cc1 ZINC001593465739 1094309980 /nfs/dbraw/zinc/30/99/80/1094309980.db2.gz YFPZBICCRPVUTP-UHFFFAOYSA-N -1 1 337.343 2.659 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC(c2ccco2)CC1 ZINC001593467103 1094310105 /nfs/dbraw/zinc/31/01/05/1094310105.db2.gz SGKIVHHQLWHRDG-UHFFFAOYSA-N -1 1 340.343 2.752 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC(c2ccco2)CC1 ZINC001593467103 1094310110 /nfs/dbraw/zinc/31/01/10/1094310110.db2.gz SGKIVHHQLWHRDG-UHFFFAOYSA-N -1 1 340.343 2.752 20 5 EFBDMM O=[N+]([O-])c1cc(N2CC[C@H]2c2cccc(F)c2)ccc1-c1nn[n-]n1 ZINC001593471617 1094315318 /nfs/dbraw/zinc/31/53/18/1094315318.db2.gz PISCSTQACIAYOC-AWEZNQCLSA-N -1 1 340.318 2.865 20 5 EFBDMM O=[N+]([O-])c1c(Sc2ccc3n[nH]cc3c2)cccc1-c1nnn[n-]1 ZINC001593469467 1094316164 /nfs/dbraw/zinc/31/61/64/1094316164.db2.gz RUBMNJRNWBUZRP-UHFFFAOYSA-N -1 1 339.340 2.802 20 5 EFBDMM O=[N+]([O-])c1c(Sc2ccc3n[nH]cc3c2)cccc1-c1nn[n-]n1 ZINC001593469467 1094316176 /nfs/dbraw/zinc/31/61/76/1094316176.db2.gz RUBMNJRNWBUZRP-UHFFFAOYSA-N -1 1 339.340 2.802 20 5 EFBDMM O=[N+]([O-])c1cc(NCC[C@@H]2CCC3(CCC3)O2)ccc1-c1nn[n-]n1 ZINC001593474545 1094316960 /nfs/dbraw/zinc/31/69/60/1094316960.db2.gz SGRKHSJDCBLHMC-LBPRGKRZSA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1cc(NC[C@@H]2CCC3(CCC3)CO2)ccc1-c1nn[n-]n1 ZINC001593473496 1094317314 /nfs/dbraw/zinc/31/73/14/1094317314.db2.gz FPKXRWAIUVOEIX-LBPRGKRZSA-N -1 1 344.375 2.536 20 5 EFBDMM O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(F)nc1-c1nn[n-]n1 ZINC001593473370 1094318050 /nfs/dbraw/zinc/31/80/50/1094318050.db2.gz ZKKGGVPKIOEUSY-UHFFFAOYSA-N -1 1 336.670 2.755 20 5 EFBDMM O=[N+]([O-])c1cc(NCCCc2cccc(F)c2)ccc1-c1nn[n-]n1 ZINC001593473420 1094318406 /nfs/dbraw/zinc/31/84/06/1094318406.db2.gz BKOYKHSIXSLHTQ-UHFFFAOYSA-N -1 1 342.334 2.959 20 5 EFBDMM O=[N+]([O-])c1cc(Oc2cccc(F)c2-c2nnn[n-]2)cc([N+](=O)[O-])c1 ZINC001593474184 1094318683 /nfs/dbraw/zinc/31/86/83/1094318683.db2.gz KGLSQJBBUZVPGD-UHFFFAOYSA-N -1 1 346.234 2.615 20 5 EFBDMM O=[N+]([O-])c1cc(Oc2cccc(F)c2-c2nn[n-]n2)cc([N+](=O)[O-])c1 ZINC001593474184 1094318688 /nfs/dbraw/zinc/31/86/88/1094318688.db2.gz KGLSQJBBUZVPGD-UHFFFAOYSA-N -1 1 346.234 2.615 20 5 EFBDMM O=[N+]([O-])c1cc(N[C@H](C2CC2)[C@H]2CCCCO2)ccc1-c1nn[n-]n1 ZINC001593474567 1094319011 /nfs/dbraw/zinc/31/90/11/1094319011.db2.gz TVULMUABXMFORW-HUUCEWRRSA-N -1 1 344.375 2.535 20 5 EFBDMM O=[N+]([O-])c1cc(NCc2cccc3cc[nH]c32)ccc1-c1nn[n-]n1 ZINC001593474973 1094320684 /nfs/dbraw/zinc/32/06/84/1094320684.db2.gz WJTBCVLKFZGDQS-UHFFFAOYSA-N -1 1 335.327 2.868 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@H](C2CC2)[C@@H]2CCCCO2)cc1-c1nnn[n-]1 ZINC001593478984 1094322384 /nfs/dbraw/zinc/32/23/84/1094322384.db2.gz OHTZVIAIDLLAAC-LSDHHAIUSA-N -1 1 344.375 2.535 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@H](C2CC2)[C@@H]2CCCCO2)cc1-c1nn[n-]n1 ZINC001593478984 1094322398 /nfs/dbraw/zinc/32/23/98/1094322398.db2.gz OHTZVIAIDLLAAC-LSDHHAIUSA-N -1 1 344.375 2.535 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@H]2CCOC23CCCCC3)cc1-c1nnn[n-]1 ZINC001593477892 1094322851 /nfs/dbraw/zinc/32/28/51/1094322851.db2.gz ISUWKMIYMZHAQG-AWEZNQCLSA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@H]2CCOC23CCCCC3)cc1-c1nn[n-]n1 ZINC001593477892 1094322858 /nfs/dbraw/zinc/32/28/58/1094322858.db2.gz ISUWKMIYMZHAQG-AWEZNQCLSA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@H]2C[C@@H]2Cc2ccccc2)cc1-c1nnn[n-]1 ZINC001593478086 1094323099 /nfs/dbraw/zinc/32/30/99/1094323099.db2.gz AOOMKAGEJZYTKO-WFASDCNBSA-N -1 1 336.355 2.818 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@H]2C[C@@H]2Cc2ccccc2)cc1-c1nn[n-]n1 ZINC001593478086 1094323104 /nfs/dbraw/zinc/32/31/04/1094323104.db2.gz AOOMKAGEJZYTKO-WFASDCNBSA-N -1 1 336.355 2.818 20 5 EFBDMM O=[N+]([O-])c1ccc(N2Cc3ccccc3C3(CC3)C2)cc1-c1nnn[n-]1 ZINC001593478677 1094323493 /nfs/dbraw/zinc/32/34/93/1094323493.db2.gz JPGUTNXAWLLNLN-UHFFFAOYSA-N -1 1 348.366 2.827 20 5 EFBDMM O=[N+]([O-])c1ccc(N2Cc3ccccc3C3(CC3)C2)cc1-c1nn[n-]n1 ZINC001593478677 1094323505 /nfs/dbraw/zinc/32/35/05/1094323505.db2.gz JPGUTNXAWLLNLN-UHFFFAOYSA-N -1 1 348.366 2.827 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CCCc3sccc3C2)cc1-c1nnn[n-]1 ZINC001593479211 1094324250 /nfs/dbraw/zinc/32/42/50/1094324250.db2.gz UJTLTGLPKYOIQY-UHFFFAOYSA-N -1 1 342.384 2.789 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CCCc3sccc3C2)cc1-c1nn[n-]n1 ZINC001593479211 1094324257 /nfs/dbraw/zinc/32/42/57/1094324257.db2.gz UJTLTGLPKYOIQY-UHFFFAOYSA-N -1 1 342.384 2.789 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NC[C@@H]1CCCC1(F)F ZINC001593489273 1094331134 /nfs/dbraw/zinc/33/11/34/1094331134.db2.gz YWCQNHHBSOEYEZ-LURJTMIESA-N -1 1 330.320 2.684 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NC[C@@H]1CCCC1(F)F ZINC001593489273 1094331141 /nfs/dbraw/zinc/33/11/41/1094331141.db2.gz YWCQNHHBSOEYEZ-LURJTMIESA-N -1 1 330.320 2.684 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@H]1C[C@@]1(F)c1ccccc1 ZINC001593489245 1094331988 /nfs/dbraw/zinc/33/19/88/1094331988.db2.gz XPGAKBYDDDHGNU-SMDDNHRTSA-N -1 1 346.347 2.886 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@H]1C[C@@]1(F)c1ccccc1 ZINC001593489245 1094331998 /nfs/dbraw/zinc/33/19/98/1094331998.db2.gz XPGAKBYDDDHGNU-SMDDNHRTSA-N -1 1 346.347 2.886 20 5 EFBDMM Cc1c(NC(=O)c2ccc3cncn3c2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600047087 1094740556 /nfs/dbraw/zinc/74/05/56/1094740556.db2.gz WMKMUVHTUOZELR-UHFFFAOYSA-N -1 1 340.295 2.501 20 5 EFBDMM Cc1ccc(CN[C@](C)(CC(=O)[O-])c2ccccn2)cc1[N+](=O)[O-] ZINC001600418750 1095051698 /nfs/dbraw/zinc/05/16/98/1095051698.db2.gz GBUHJKOYEIAZMA-QGZVFWFLSA-N -1 1 329.356 2.778 20 5 EFBDMM Cc1cccc(CNCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001600532029 1095141421 /nfs/dbraw/zinc/14/14/21/1095141421.db2.gz FNPQLEOADFZRBP-UHFFFAOYSA-N -1 1 330.340 2.656 20 5 EFBDMM O=C([O-])CC1(NCc2c(Br)cccc2[N+](=O)[O-])CCC1 ZINC001601936482 1095984260 /nfs/dbraw/zinc/98/42/60/1095984260.db2.gz UOFOXGYICAWZEK-UHFFFAOYSA-N -1 1 343.177 2.844 20 5 EFBDMM O=C([O-])c1cc(-c2ccc([C@@H]3COCCN3)cc2)cc([N+](=O)[O-])c1 ZINC001602236713 1096132067 /nfs/dbraw/zinc/13/20/67/1096132067.db2.gz KIKMQIXJUVGNFB-INIZCTEOSA-N -1 1 328.324 2.621 20 5 EFBDMM O=C([O-])c1cc(C(=O)Nc2ccc(F)c(F)c2O)cc([N+](=O)[O-])c1 ZINC001602247749 1096137250 /nfs/dbraw/zinc/13/72/50/1096137250.db2.gz BIHYSHZIENDWRQ-UHFFFAOYSA-N -1 1 338.222 2.529 20 5 EFBDMM O=C([O-])c1cc(NC(=O)c2ccc(O)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC001602284427 1096159961 /nfs/dbraw/zinc/15/99/61/1096159961.db2.gz CJUPCNUMLQOGIJ-UHFFFAOYSA-N -1 1 336.687 2.904 20 5 EFBDMM CC(C)(CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1cccnc1 ZINC001603150796 1096459772 /nfs/dbraw/zinc/45/97/72/1096459772.db2.gz RFCWFGBIXYRSCY-UHFFFAOYSA-N -1 1 339.359 2.560 20 5 EFBDMM CC(C)(CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1cccnc1 ZINC001603150796 1096459781 /nfs/dbraw/zinc/45/97/81/1096459781.db2.gz RFCWFGBIXYRSCY-UHFFFAOYSA-N -1 1 339.359 2.560 20 5 EFBDMM CC(C)(CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccccn1 ZINC001603150894 1096460422 /nfs/dbraw/zinc/46/04/22/1096460422.db2.gz XBSNAHUFRNNKMH-UHFFFAOYSA-N -1 1 339.359 2.560 20 5 EFBDMM CC(C)[C@H]1N(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC12CC=CC2 ZINC001603254601 1096487232 /nfs/dbraw/zinc/48/72/32/1096487232.db2.gz XZZSQXDJNBVTHL-OAHLLOKOSA-N -1 1 340.387 2.956 20 5 EFBDMM CC(C)C[C@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001603271041 1096491394 /nfs/dbraw/zinc/49/13/94/1096491394.db2.gz IHKHJDANQNXNGF-LLVKDONJSA-N -1 1 345.407 2.620 20 5 EFBDMM CC(C)C[C@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001603271041 1096491399 /nfs/dbraw/zinc/49/13/99/1096491399.db2.gz IHKHJDANQNXNGF-LLVKDONJSA-N -1 1 345.407 2.620 20 5 EFBDMM CC(C)CSCCCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001603304370 1096499385 /nfs/dbraw/zinc/49/93/85/1096499385.db2.gz TUJPCDAJUHGOLQ-UHFFFAOYSA-N -1 1 336.421 2.966 20 5 EFBDMM CC(C)CSCCCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001603304370 1096499390 /nfs/dbraw/zinc/49/93/90/1096499390.db2.gz TUJPCDAJUHGOLQ-UHFFFAOYSA-N -1 1 336.421 2.966 20 5 EFBDMM C[C@@H](OC(=O)c1ccsc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001603704771 1096596470 /nfs/dbraw/zinc/59/64/70/1096596470.db2.gz JEDPTJRQDXZVQF-MRVPVSSYSA-N -1 1 345.340 2.754 20 5 EFBDMM C[C@@H](OC(=O)c1ccsc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC001603704771 1096596471 /nfs/dbraw/zinc/59/64/71/1096596471.db2.gz JEDPTJRQDXZVQF-MRVPVSSYSA-N -1 1 345.340 2.754 20 5 EFBDMM C[C@H](OC(=O)c1ccsc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001603704772 1096596689 /nfs/dbraw/zinc/59/66/89/1096596689.db2.gz JEDPTJRQDXZVQF-QMMMGPOBSA-N -1 1 345.340 2.754 20 5 EFBDMM C[C@H](OC(=O)c1ccsc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC001603704772 1096596695 /nfs/dbraw/zinc/59/66/95/1096596695.db2.gz JEDPTJRQDXZVQF-QMMMGPOBSA-N -1 1 345.340 2.754 20 5 EFBDMM CC(C)[C@H]1N(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1(C)C ZINC001603761953 1096616737 /nfs/dbraw/zinc/61/67/37/1096616737.db2.gz LIYIGZOHEXVGKE-MRXNPFEDSA-N -1 1 336.388 2.925 20 5 EFBDMM C[C@@H]1[C@@H](C(F)(F)F)CCN1c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603837515 1096641409 /nfs/dbraw/zinc/64/14/09/1096641409.db2.gz UVTWVULUJAOADZ-XCBNKYQSSA-N -1 1 342.281 2.552 20 5 EFBDMM C[C@@H]1[C@@H](C(F)(F)F)CCN1c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603837515 1096641412 /nfs/dbraw/zinc/64/14/12/1096641412.db2.gz UVTWVULUJAOADZ-XCBNKYQSSA-N -1 1 342.281 2.552 20 5 EFBDMM C[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603870858 1096650684 /nfs/dbraw/zinc/65/06/84/1096650684.db2.gz HISNWEMUCFYTJP-UHIISALHSA-N -1 1 328.376 2.932 20 5 EFBDMM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603870857 1096651231 /nfs/dbraw/zinc/65/12/31/1096651231.db2.gz HISNWEMUCFYTJP-SUNKGSAMSA-N -1 1 328.376 2.932 20 5 EFBDMM C[C@@H]1CCCC[C@@H]1CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603890401 1096660202 /nfs/dbraw/zinc/66/02/02/1096660202.db2.gz CCGGSAMVHSUVIM-NXEZZACHSA-N -1 1 331.380 2.595 20 5 EFBDMM C[C@@H]1CCCC[C@@H]1CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603890401 1096660206 /nfs/dbraw/zinc/66/02/06/1096660206.db2.gz CCGGSAMVHSUVIM-NXEZZACHSA-N -1 1 331.380 2.595 20 5 EFBDMM C[C@H]1c2ccccc2CCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603957555 1096682918 /nfs/dbraw/zinc/68/29/18/1096682918.db2.gz WITGGDCDWNSIRW-NSHDSACASA-N -1 1 336.355 2.899 20 5 EFBDMM CC[C@H](CC(F)(F)F)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001604015545 1096699386 /nfs/dbraw/zinc/69/93/86/1096699386.db2.gz JXTDTILWHHIGAE-SSDOTTSWSA-N -1 1 330.270 2.918 20 5 EFBDMM CC[C@H](CC(F)(F)F)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001604015545 1096699393 /nfs/dbraw/zinc/69/93/93/1096699393.db2.gz JXTDTILWHHIGAE-SSDOTTSWSA-N -1 1 330.270 2.918 20 5 EFBDMM CC[C@@H](CC(F)(F)F)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001604015549 1096700400 /nfs/dbraw/zinc/70/04/00/1096700400.db2.gz JXTDTILWHHIGAE-ZETCQYMHSA-N -1 1 330.270 2.918 20 5 EFBDMM CC[C@@H](CC(F)(F)F)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001604015549 1096700406 /nfs/dbraw/zinc/70/04/06/1096700406.db2.gz JXTDTILWHHIGAE-ZETCQYMHSA-N -1 1 330.270 2.918 20 5 EFBDMM CCCc1nc(C)c(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])o1 ZINC001604246366 1096785124 /nfs/dbraw/zinc/78/51/24/1096785124.db2.gz IEGCCKUBWLXBRH-UHFFFAOYSA-N -1 1 349.376 2.697 20 5 EFBDMM CCCc1nc(C)c(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])o1 ZINC001604246366 1096785130 /nfs/dbraw/zinc/78/51/30/1096785130.db2.gz IEGCCKUBWLXBRH-UHFFFAOYSA-N -1 1 349.376 2.697 20 5 EFBDMM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(O)(C2(C(=O)[O-])CCC2)CC1 ZINC001604470360 1096870553 /nfs/dbraw/zinc/87/05/53/1096870553.db2.gz DWWYFHRMMKCBOS-ZDUSSCGKSA-N -1 1 348.399 2.738 20 5 EFBDMM C[C@@H]1CCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1(C)C ZINC001604754428 1096948244 /nfs/dbraw/zinc/94/82/44/1096948244.db2.gz WBYUVVRTYMFDQG-GFCCVEGCSA-N -1 1 336.388 2.926 20 5 EFBDMM COC1CCC(CNc2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001605028445 1097004565 /nfs/dbraw/zinc/00/45/65/1097004565.db2.gz DYKYUKWLMZYPKN-UHFFFAOYSA-N -1 1 346.391 2.700 20 5 EFBDMM COC1CCC(CNc2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001605028445 1097004571 /nfs/dbraw/zinc/00/45/71/1097004571.db2.gz DYKYUKWLMZYPKN-UHFFFAOYSA-N -1 1 346.391 2.700 20 5 EFBDMM COCc1cccc(Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1 ZINC001605133795 1097030448 /nfs/dbraw/zinc/03/04/48/1097030448.db2.gz SBBNJIYIESGLKO-UHFFFAOYSA-N -1 1 326.316 2.665 20 5 EFBDMM CS[C@@H]1CCCC[C@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001605381445 1097111303 /nfs/dbraw/zinc/11/13/03/1097111303.db2.gz VDAIZTYNGIWUDA-VXNVDRBHSA-N -1 1 340.434 2.923 20 5 EFBDMM CS[C@@H]1CCCC[C@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001605381445 1097111307 /nfs/dbraw/zinc/11/13/07/1097111307.db2.gz VDAIZTYNGIWUDA-VXNVDRBHSA-N -1 1 340.434 2.923 20 5 EFBDMM Cc1cc([C@@H](C)Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)c(C)o1 ZINC001605634154 1097176067 /nfs/dbraw/zinc/17/60/67/1097176067.db2.gz AUMNXTPPGBTLLB-MRVPVSSYSA-N -1 1 343.347 2.740 20 5 EFBDMM Cc1cc([C@@H](C)Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)c(C)o1 ZINC001605634154 1097176069 /nfs/dbraw/zinc/17/60/69/1097176069.db2.gz AUMNXTPPGBTLLB-MRVPVSSYSA-N -1 1 343.347 2.740 20 5 EFBDMM Cc1cc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc(C)c1O ZINC001605662159 1097183301 /nfs/dbraw/zinc/18/33/01/1097183301.db2.gz VOQQSQYXNKVMFH-UHFFFAOYSA-N -1 1 340.343 2.709 20 5 EFBDMM CCOc1ccc([N+](=O)[O-])cc1CNCc1ccc(CC(=O)[O-])cc1 ZINC001605701392 1097199058 /nfs/dbraw/zinc/19/90/58/1097199058.db2.gz UKOYBJGFFNOPQL-UHFFFAOYSA-N -1 1 344.367 2.910 20 5 EFBDMM Cc1cc(N[C@@H](C)Cc2ccco2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605717103 1097205182 /nfs/dbraw/zinc/20/51/82/1097205182.db2.gz AICAONQZIYNJHT-JTQLQIEISA-N -1 1 328.332 2.719 20 5 EFBDMM Cc1cc(N[C@@H](C)Cc2ccco2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605717103 1097205183 /nfs/dbraw/zinc/20/51/83/1097205183.db2.gz AICAONQZIYNJHT-JTQLQIEISA-N -1 1 328.332 2.719 20 5 EFBDMM Cc1cc(NCC[C@H]2CCO[C@H](C)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605731285 1097209825 /nfs/dbraw/zinc/20/98/25/1097209825.db2.gz VDNGZWHKSRTEJH-NEPJUHHUSA-N -1 1 346.391 2.700 20 5 EFBDMM Cc1cc(NCC[C@H]2CCO[C@H](C)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605731285 1097209830 /nfs/dbraw/zinc/20/98/30/1097209830.db2.gz VDNGZWHKSRTEJH-NEPJUHHUSA-N -1 1 346.391 2.700 20 5 EFBDMM Cc1cc(Oc2nc(-c3nn[n-]n3)c(Cl)s2)ccc1[N+](=O)[O-] ZINC001605751059 1097216797 /nfs/dbraw/zinc/21/67/97/1097216797.db2.gz NMXGZAOTGNLXPY-UHFFFAOYSA-N -1 1 338.736 2.986 20 5 EFBDMM Cc1csc([C@H](C)CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)n1 ZINC001606001821 1097294492 /nfs/dbraw/zinc/29/44/92/1097294492.db2.gz XBYKEYQZXBPMLZ-MRVPVSSYSA-N -1 1 345.388 2.755 20 5 EFBDMM CN(Cc1cccs1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001606160595 1097332363 /nfs/dbraw/zinc/33/23/63/1097332363.db2.gz RBCHLEDQSAOBRF-UHFFFAOYSA-N -1 1 336.369 2.752 20 5 EFBDMM Nc1cc(NCCC2=CCCCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001606451148 1097402732 /nfs/dbraw/zinc/40/27/32/1097402732.db2.gz NCISMVJFTPSWQA-UHFFFAOYSA-N -1 1 329.364 2.660 20 5 EFBDMM Nc1cc(NCCC2=CCCCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001606451148 1097402736 /nfs/dbraw/zinc/40/27/36/1097402736.db2.gz NCISMVJFTPSWQA-UHFFFAOYSA-N -1 1 329.364 2.660 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1SCc1ccccc1F ZINC001607077596 1097504881 /nfs/dbraw/zinc/50/48/81/1097504881.db2.gz AIVWSGUNVJHKRO-UHFFFAOYSA-N -1 1 332.320 2.601 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1SCc1ccccc1F ZINC001607077596 1097504885 /nfs/dbraw/zinc/50/48/85/1097504885.db2.gz AIVWSGUNVJHKRO-UHFFFAOYSA-N -1 1 332.320 2.601 20 5 EFBDMM O=[N+]([O-])c1cc(NCCC[C@@H]2CCCC[C@@H]2O)ccc1-c1nn[n-]n1 ZINC001607078862 1097506775 /nfs/dbraw/zinc/50/67/75/1097506775.db2.gz ATPAMXIVMXBNPU-NHYWBVRUSA-N -1 1 346.391 2.518 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@H]2CCOC3(CCCC3)C2)cc1-c1nnn[n-]1 ZINC001607082309 1097508318 /nfs/dbraw/zinc/50/83/18/1097508318.db2.gz OBEJNQULJYAENC-LBPRGKRZSA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@H]2CCOC3(CCCC3)C2)cc1-c1nn[n-]n1 ZINC001607082309 1097508322 /nfs/dbraw/zinc/50/83/22/1097508322.db2.gz OBEJNQULJYAENC-LBPRGKRZSA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1ccc(Oc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001607081655 1097509090 /nfs/dbraw/zinc/50/90/90/1097509090.db2.gz GPQPVWSEEOBYGW-UHFFFAOYSA-N -1 1 346.234 2.615 20 5 EFBDMM COc1ccc([C@@H](NCc2ccc([N+](=O)[O-])cc2C)C(=O)[O-])cc1O ZINC001607235001 1097568748 /nfs/dbraw/zinc/56/87/48/1097568748.db2.gz RLWGXEDDVACOGW-MRXNPFEDSA-N -1 1 346.339 2.533 20 5 EFBDMM O=C([O-])[C@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(O)c1 ZINC001608550341 1097950252 /nfs/dbraw/zinc/95/02/52/1097950252.db2.gz KYJGTTPFZBSVPE-CQSZACIVSA-N -1 1 336.731 2.869 20 5 EFBDMM CC(C)[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCO1 ZINC001609092052 1098139655 /nfs/dbraw/zinc/13/96/55/1098139655.db2.gz YTSPBVHBNPRDOJ-IAQYHMDHSA-N -1 1 346.391 2.638 20 5 EFBDMM CC(C)C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCO1 ZINC001609093844 1098141402 /nfs/dbraw/zinc/14/14/02/1098141402.db2.gz SZMYRVQSQFKZQQ-STQMWFEESA-N -1 1 346.391 2.781 20 5 EFBDMM CC(C)C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCO1 ZINC001609093844 1098141406 /nfs/dbraw/zinc/14/14/06/1098141406.db2.gz SZMYRVQSQFKZQQ-STQMWFEESA-N -1 1 346.391 2.781 20 5 EFBDMM C[C@@H](CCc1ccco1)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609112231 1098152394 /nfs/dbraw/zinc/15/23/94/1098152394.db2.gz YKLSFJNJWAMBAQ-JTQLQIEISA-N -1 1 328.332 2.801 20 5 EFBDMM CC1(C)CCC[C@](O)(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001609145177 1098168320 /nfs/dbraw/zinc/16/83/20/1098168320.db2.gz CXKJGYLJELJZAN-MRXNPFEDSA-N -1 1 346.391 2.518 20 5 EFBDMM CC1(C)CCC[C@](O)(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001609145177 1098168322 /nfs/dbraw/zinc/16/83/22/1098168322.db2.gz CXKJGYLJELJZAN-MRXNPFEDSA-N -1 1 346.391 2.518 20 5 EFBDMM C[C@@H]1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)C2)C1 ZINC001609162957 1098176842 /nfs/dbraw/zinc/17/68/42/1098176842.db2.gz ONQDIBOPERCQQF-BDJLRTHQSA-N -1 1 328.376 2.791 20 5 EFBDMM CCO[C@@H](CCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)C(C)C ZINC001609236913 1098215384 /nfs/dbraw/zinc/21/53/84/1098215384.db2.gz LZMIXWXJFJQUGQ-AWEZNQCLSA-N -1 1 334.380 2.638 20 5 EFBDMM O=[N+]([O-])c1cc(Sc2ncc3ccccn32)ccc1-c1nnn[n-]1 ZINC001609601009 1098394544 /nfs/dbraw/zinc/39/45/44/1098394544.db2.gz NKLIWHUMJPCLSF-UHFFFAOYSA-N -1 1 339.340 2.574 20 5 EFBDMM O=[N+]([O-])c1cc(Sc2ncc3ccccn32)ccc1-c1nn[n-]n1 ZINC001609601009 1098394550 /nfs/dbraw/zinc/39/45/50/1098394550.db2.gz NKLIWHUMJPCLSF-UHFFFAOYSA-N -1 1 339.340 2.574 20 5 EFBDMM COc1cc(CNc2ccc(C(=O)[O-])c(OC)c2)cc([N+](=O)[O-])c1O ZINC001610301689 1098610355 /nfs/dbraw/zinc/61/03/55/1098610355.db2.gz IDIYPLCCBATHAM-UHFFFAOYSA-N -1 1 348.311 2.628 20 5 EFBDMM COc1ccc(CN[C@](C)(C(=O)[O-])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001610336207 1098625649 /nfs/dbraw/zinc/62/56/49/1098625649.db2.gz ODCBZAYUCFGAGU-KRWDZBQOSA-N -1 1 348.330 2.832 20 5 EFBDMM Cc1c(C(=O)[O-])cc(CNC(C)(C)c2ccccc2[N+](=O)[O-])n1C ZINC001610409017 1098661642 /nfs/dbraw/zinc/66/16/42/1098661642.db2.gz LXKOQJZUJOGZNW-UHFFFAOYSA-N -1 1 331.372 2.965 20 5 EFBDMM Cc1nn(CN2CCC(CCC(=O)[O-])CC2)c2cc([N+](=O)[O-])ccc12 ZINC001610571743 1098761570 /nfs/dbraw/zinc/76/15/70/1098761570.db2.gz BAFNEPHPRUSGGK-UHFFFAOYSA-N -1 1 346.387 2.787 20 5 EFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC001610840054 1098927278 /nfs/dbraw/zinc/92/72/78/1098927278.db2.gz IVVRVESDCGCMMR-RDJZCZTQSA-N -1 1 342.351 2.601 20 5 EFBDMM O=C(OCCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000748125103 1102584142 /nfs/dbraw/zinc/58/41/42/1102584142.db2.gz MBZWHZNHICXWAJ-UHFFFAOYSA-N -1 1 346.126 2.661 20 5 EFBDMM O=C(OCCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000748125168 1102585635 /nfs/dbraw/zinc/58/56/35/1102585635.db2.gz OLPCDRIUUVSJLW-UHFFFAOYSA-N -1 1 346.126 2.661 20 5 EFBDMM O=[N+]([O-])c1ccccc1Cc1noc(-c2cc3c(cc2[O-])OCO3)n1 ZINC000436994464 1104027544 /nfs/dbraw/zinc/02/75/44/1104027544.db2.gz CULFDOJOMLYMMH-UHFFFAOYSA-N -1 1 341.279 2.670 20 5 EFBDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000094036983 1107382809 /nfs/dbraw/zinc/38/28/09/1107382809.db2.gz IQKTVARBTSHUHD-UHFFFAOYSA-N -1 1 343.265 2.909 20 5 EFBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000903999149 1107486006 /nfs/dbraw/zinc/48/60/06/1107486006.db2.gz IJKSFCMGDXJGHM-UHFFFAOYSA-N -1 1 349.368 2.662 20 5 EFBDMM CCN(CCNc1ccc([N+](=O)[O-])c(C)c1)C(=O)c1ncccc1[O-] ZINC001106727467 1111767915 /nfs/dbraw/zinc/76/79/15/1111767915.db2.gz QXJSWDTXMDXHRF-UHFFFAOYSA-N -1 1 344.371 2.578 20 5 EFBDMM CC(C)N(CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1Br ZINC000037994741 213185167 /nfs/dbraw/zinc/18/51/67/213185167.db2.gz AFNJEOGWJZCFGR-UHFFFAOYSA-N -1 1 331.166 2.652 20 5 EFBDMM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000129333208 223046099 /nfs/dbraw/zinc/04/60/99/223046099.db2.gz JKZTTZACHHKNQV-CMPLNLGQSA-N -1 1 345.330 2.853 20 5 EFBDMM CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)c3cccc([O-])c32)n1 ZINC000191893513 239367372 /nfs/dbraw/zinc/36/73/72/239367372.db2.gz XUFNXJKXAXOZEQ-JTQLQIEISA-N -1 1 330.344 2.671 20 5 EFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000191903729 239373675 /nfs/dbraw/zinc/37/36/75/239373675.db2.gz NZMHRNYWXUGJSA-UHFFFAOYSA-N -1 1 338.389 2.859 20 5 EFBDMM CC[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Oc1ccccc1C ZINC000193676584 240119578 /nfs/dbraw/zinc/11/95/78/240119578.db2.gz DDLAUQUSGVQTOQ-ZDUSSCGKSA-N -1 1 345.355 2.591 20 5 EFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000422100162 246259034 /nfs/dbraw/zinc/25/90/34/246259034.db2.gz DFXLRYWDLBAFTL-QMMMGPOBSA-N -1 1 333.266 2.500 20 5 EFBDMM CC(C)(C)OC(=O)NC1(c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)CCC1 ZINC000265019623 247138894 /nfs/dbraw/zinc/13/88/94/247138894.db2.gz SQWUSCUDHSRWAA-UHFFFAOYSA-N -1 1 349.347 2.877 20 5 EFBDMM O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ncccc1[O-] ZINC000427607958 247369257 /nfs/dbraw/zinc/36/92/57/247369257.db2.gz VUFCMBQJHOMEBY-UHFFFAOYSA-N -1 1 341.245 2.644 20 5 EFBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)cc1[N+](=O)[O-] ZINC000012547295 211406998 /nfs/dbraw/zinc/40/69/98/211406998.db2.gz NIYJRLSPHYIOJF-UHFFFAOYSA-N -1 1 332.341 2.580 20 5 EFBDMM COc1cccc(F)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442222573 250073000 /nfs/dbraw/zinc/07/30/00/250073000.db2.gz NTKVUIZSEJFACE-UHFFFAOYSA-N -1 1 326.305 2.543 20 5 EFBDMM CCn1cc(S(=O)(=O)[N-]CC[C@@H](C)CC(C)(C)C)c([N+](=O)[O-])n1 ZINC000442772747 250115949 /nfs/dbraw/zinc/11/59/49/250115949.db2.gz WBPOVCKPEUTBGB-LLVKDONJSA-N -1 1 346.453 2.552 20 5 EFBDMM COc1ccc(C)cc1[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444830605 250355513 /nfs/dbraw/zinc/35/55/13/250355513.db2.gz XEOQTODGRXSOCE-SNVBAGLBSA-N -1 1 331.328 2.503 20 5 EFBDMM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445008772 250373391 /nfs/dbraw/zinc/37/33/91/250373391.db2.gz RCHQSTUUCGOCSD-HNNXBMFYSA-N -1 1 341.367 2.851 20 5 EFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCc2occc21 ZINC000194341433 296496173 /nfs/dbraw/zinc/49/61/73/296496173.db2.gz IHBDSIFVVBMXDF-LLVKDONJSA-N -1 1 340.332 2.683 20 5 EFBDMM COc1ccc(CNC(=O)c2c(F)ccc([O-])c2F)cc1[N+](=O)[O-] ZINC000347999088 142306286 /nfs/dbraw/zinc/30/62/86/142306286.db2.gz CIIVDLIAYOZFHF-UHFFFAOYSA-N -1 1 338.266 2.517 20 5 EFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCC(F)(F)CC2)c(F)c1 ZINC000341445385 145053737 /nfs/dbraw/zinc/05/37/37/145053737.db2.gz BSMFYBQQHOHPCN-UHFFFAOYSA-N -1 1 338.307 2.590 20 5 EFBDMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344228629 145397153 /nfs/dbraw/zinc/39/71/53/145397153.db2.gz WBNZEJIYFWGDFR-UHFFFAOYSA-N -1 1 332.316 2.860 20 5 EFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cncc(Br)c3)no2)[n-]1 ZINC000355841284 147079345 /nfs/dbraw/zinc/07/93/45/147079345.db2.gz MHQSFMRCSBUKLL-UHFFFAOYSA-N -1 1 336.105 2.797 20 5 EFBDMM O=C1CCCN1c1cccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000355994217 147117882 /nfs/dbraw/zinc/11/78/82/147117882.db2.gz SMOMXWXNXWNJKM-UHFFFAOYSA-N -1 1 339.311 2.767 20 5 EFBDMM O=C(NCC1(c2ccc(F)cc2)CCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000356223783 147180484 /nfs/dbraw/zinc/18/04/84/147180484.db2.gz DLEHEUFQDUMYBW-UHFFFAOYSA-N -1 1 345.330 2.686 20 5 EFBDMM C[S@](=O)Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1Cl ZINC000360030600 148254777 /nfs/dbraw/zinc/25/47/77/148254777.db2.gz HHIPOTQOODJQAG-QFIPXVFZSA-N -1 1 341.776 2.707 20 5 EFBDMM Cc1ccc([C@@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000369371138 150338644 /nfs/dbraw/zinc/33/86/44/150338644.db2.gz TZSIUAXSJIXRJK-AWEZNQCLSA-N -1 1 327.340 2.981 20 5 EFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1(C2CC2)CC1 ZINC000160164928 225351071 /nfs/dbraw/zinc/35/10/71/225351071.db2.gz UCMFSJLDDVSFFP-UHFFFAOYSA-N -1 1 330.793 2.717 20 5 EFBDMM CO[C@H](C)c1nc(Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cs1 ZINC000274012944 266598948 /nfs/dbraw/zinc/59/89/48/266598948.db2.gz NCXUXRVVICVDNK-SSDOTTSWSA-N -1 1 335.345 2.728 20 5 EFBDMM CC1(c2ccccc2)CC(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000277633156 267217297 /nfs/dbraw/zinc/21/72/97/267217297.db2.gz BUNHBGGDQLZYBY-UHFFFAOYSA-N -1 1 327.340 2.546 20 5 EFBDMM CC1(C)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)Cc2ccccc21 ZINC000278009557 267320038 /nfs/dbraw/zinc/32/00/38/267320038.db2.gz IIPOYWZRMNXWAR-UHFFFAOYSA-N -1 1 327.340 2.629 20 5 EFBDMM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc(C)ccc2[O-])cc1OC ZINC000280163212 273297615 /nfs/dbraw/zinc/29/76/15/273297615.db2.gz RRTUQSRTEKXLEI-UHFFFAOYSA-N -1 1 347.327 2.663 20 5 EFBDMM O=C(N[C@H]1CC[C@@H](c2cccc(F)c2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000280281066 273310967 /nfs/dbraw/zinc/31/09/67/273310967.db2.gz RNMGVZVGDVPQPQ-RISCZKNCSA-N -1 1 345.330 2.901 20 5 EFBDMM O=C(N[C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000280646749 273350613 /nfs/dbraw/zinc/35/06/13/273350613.db2.gz SCVMBAMDSSUSON-RISCZKNCSA-N -1 1 345.330 2.901 20 5 EFBDMM CC[C@H](CSC)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000181616106 287909056 /nfs/dbraw/zinc/90/90/56/287909056.db2.gz NMULVLFMCXYXQM-MRVPVSSYSA-N -1 1 338.838 2.668 20 5 EFBDMM CSc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1)OCCO2 ZINC000337638000 278170943 /nfs/dbraw/zinc/17/09/43/278170943.db2.gz RKIBTBXJFHAAEN-UHFFFAOYSA-N -1 1 335.341 2.668 20 5 EFBDMM O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000360459966 279850981 /nfs/dbraw/zinc/85/09/81/279850981.db2.gz JUQFWEWRRDMLLY-GZMMTYOYSA-N -1 1 347.293 2.794 20 5 EFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2ccc(Cl)cc2C1 ZINC000124277629 280168335 /nfs/dbraw/zinc/16/83/35/280168335.db2.gz RVPAOGQAWLJUOI-UHFFFAOYSA-N -1 1 333.731 2.547 20 5 EFBDMM CC1(C)C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000193737422 281355669 /nfs/dbraw/zinc/35/56/69/281355669.db2.gz QCHJRIPDQZRVFQ-ZDUSSCGKSA-N -1 1 327.340 2.848 20 5 EFBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cc(C2CC2)ccn1 ZINC000290945838 294227370 /nfs/dbraw/zinc/22/73/70/294227370.db2.gz MASMCNZWLWOGGK-UHFFFAOYSA-N -1 1 347.396 2.852 20 5 EFBDMM CC(=O)N(c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1)[C@H]1C[C@H]1C ZINC000294092656 295109389 /nfs/dbraw/zinc/10/93/89/295109389.db2.gz IQXQZXYASXSAAX-BMIGLBTASA-N -1 1 342.355 2.937 20 5 EFBDMM COc1ccc(OC(F)F)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000343181978 295173225 /nfs/dbraw/zinc/17/32/25/295173225.db2.gz AYOSMEXXUSKHDN-UHFFFAOYSA-N -1 1 327.243 2.785 20 5 EFBDMM O=C(NC[C@@H](c1ccccc1)C1CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000294671834 295205093 /nfs/dbraw/zinc/20/50/93/295205093.db2.gz SGRWVZVFKXTNTE-AWEZNQCLSA-N -1 1 327.340 2.619 20 5 EFBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc([C@@H]3CCOC3)cc2)c1 ZINC000295242284 295286997 /nfs/dbraw/zinc/28/69/97/295286997.db2.gz VGJCEZSWVIAZAG-CYBMUJFWSA-N -1 1 348.380 2.900 20 5 EFBDMM CC(F)(F)CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000297038836 310845369 /nfs/dbraw/zinc/84/53/69/310845369.db2.gz LKIGQROZZRGBJW-UHFFFAOYSA-N -1 1 328.724 2.572 20 5 EFBDMM O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000298857516 311029130 /nfs/dbraw/zinc/02/91/30/311029130.db2.gz DLHYPKHNSHRFGI-ZDUSSCGKSA-N -1 1 331.328 2.733 20 5 EFBDMM O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000298925411 311035096 /nfs/dbraw/zinc/03/50/96/311035096.db2.gz DDJOBCASGMXPRW-CYBMUJFWSA-N -1 1 331.328 2.733 20 5 EFBDMM CCOC(=O)c1cnc(C(C)=Cc2cccc([N+](=O)[O-])c2)[n-]c1=O ZINC000347418157 311739299 /nfs/dbraw/zinc/73/92/99/311739299.db2.gz AWPUTMADAZNHLZ-YFHOEESVSA-N -1 1 329.312 2.828 20 5 EFBDMM COc1ccc([C@H](NCc2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1F ZINC000426829343 312530397 /nfs/dbraw/zinc/53/03/97/312530397.db2.gz OXYURYNOAHWMQH-HNNXBMFYSA-N -1 1 334.303 2.658 20 5 EFBDMM O=C(C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc([O-])cc1 ZINC000436976955 312605322 /nfs/dbraw/zinc/60/53/22/312605322.db2.gz CHIBEVNOPHHDGG-UHFFFAOYSA-N -1 1 340.335 2.674 20 5 EFBDMM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])CCC2 ZINC000514769366 315560511 /nfs/dbraw/zinc/56/05/11/315560511.db2.gz GSCWILBNDVHDPP-CQSZACIVSA-N -1 1 347.396 2.654 20 5 EFBDMM CC[C@@](C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000516926532 315719061 /nfs/dbraw/zinc/71/90/61/315719061.db2.gz FPNLFOPBXBMQCK-SNVBAGLBSA-N -1 1 326.296 2.604 20 5 EFBDMM CN(C)Cc1ccc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1F ZINC000516929908 315719739 /nfs/dbraw/zinc/71/97/39/315719739.db2.gz VDUDDJHVRFGBBI-UHFFFAOYSA-N -1 1 348.334 2.501 20 5 EFBDMM CC(C)CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525176031 316194171 /nfs/dbraw/zinc/19/41/71/316194171.db2.gz GEDMPQDKABOFFY-CHWSQXEVSA-N -1 1 341.433 2.873 20 5 EFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC(C1CC1)C1CC1 ZINC000525187822 316194992 /nfs/dbraw/zinc/19/49/92/316194992.db2.gz CRZOYCNQCDEINF-UHFFFAOYSA-N -1 1 344.820 2.963 20 5 EFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc2ccccc2c1 ZINC000525187420 316195031 /nfs/dbraw/zinc/19/50/31/316195031.db2.gz JRIIWDRSQUNKPO-UHFFFAOYSA-N -1 1 343.364 2.622 20 5 EFBDMM CCCC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525689555 316226691 /nfs/dbraw/zinc/22/66/91/316226691.db2.gz JMOBAFOHWHDYSB-NWDGAFQWSA-N -1 1 327.406 2.627 20 5 EFBDMM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cn1 ZINC000536517482 317636675 /nfs/dbraw/zinc/63/66/75/317636675.db2.gz GXRSEZGQBJIYAA-UHFFFAOYSA-N -1 1 327.218 2.967 20 5 EFBDMM CCN1C[C@@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H](C)C1 ZINC000563409380 318782076 /nfs/dbraw/zinc/78/20/76/318782076.db2.gz WTYMTMOIOJYSCO-NXEZZACHSA-N -1 1 341.795 2.509 20 5 EFBDMM Cc1cnc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)[n-]c1=O ZINC000568782971 319318719 /nfs/dbraw/zinc/31/87/19/319318719.db2.gz IXTULIBOVUPDHQ-SNVBAGLBSA-N -1 1 348.384 2.827 20 5 EFBDMM COc1cc([N+](=O)[O-])ccc1CN1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000569110081 319349452 /nfs/dbraw/zinc/34/94/52/319349452.db2.gz FOAHVECRFOVLHO-KRWDZBQOSA-N -1 1 342.351 2.787 20 5 EFBDMM Cc1cc(N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000577955580 320159816 /nfs/dbraw/zinc/15/98/16/320159816.db2.gz YYLDEHIGNJFHMQ-BMLIUANNSA-N -1 1 329.356 2.998 20 5 EFBDMM CN(C)[C@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])c1ccco1 ZINC000578774956 320238668 /nfs/dbraw/zinc/23/86/68/320238668.db2.gz YBHNIOKCYCZQDT-CQSZACIVSA-N -1 1 333.344 2.530 20 5 EFBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)c1C ZINC000007320636 471605742 /nfs/dbraw/zinc/60/57/42/471605742.db2.gz MNKSWFYMCIGNGA-UHFFFAOYSA-N -1 1 346.368 2.889 20 5 EFBDMM Cc1c([N-]S(=O)(=O)c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000014253973 471866510 /nfs/dbraw/zinc/86/65/10/471866510.db2.gz KDWGHDDGLZVVNZ-UHFFFAOYSA-N -1 1 328.296 2.982 20 5 EFBDMM Cc1ccc(SCCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000016495038 471938858 /nfs/dbraw/zinc/93/88/58/471938858.db2.gz VCMJAFCERPFPLJ-UHFFFAOYSA-N -1 1 333.369 2.526 20 5 EFBDMM O=C(NCc1ccc(C(F)(F)F)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000016499199 471940103 /nfs/dbraw/zinc/94/01/03/471940103.db2.gz MMHDUSMPHFEJFY-UHFFFAOYSA-N -1 1 341.245 2.644 20 5 EFBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1cc2ccccc2o1 ZINC000024154872 472047383 /nfs/dbraw/zinc/04/73/83/472047383.db2.gz YCOBTBSSWOWDQA-VIFPVBQESA-N -1 1 327.296 2.520 20 5 EFBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C)ccc1F ZINC000055558435 472204062 /nfs/dbraw/zinc/20/40/62/472204062.db2.gz JBJIHGNYPWBSRY-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM CCCCc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)[nH]n1 ZINC000084746832 472214675 /nfs/dbraw/zinc/21/46/75/472214675.db2.gz HJHLPJWFMOVRDF-UHFFFAOYSA-N -1 1 338.389 2.770 20 5 EFBDMM CCCc1nnc([N-]C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])s1 ZINC000076013114 472239402 /nfs/dbraw/zinc/23/94/02/472239402.db2.gz NLXJMJHINURLHF-UHFFFAOYSA-N -1 1 328.300 2.929 20 5 EFBDMM Cc1ccc(NC(=O)NCc2n[n-]c(=S)n2C2CC2)cc1[N+](=O)[O-] ZINC000085545506 472255451 /nfs/dbraw/zinc/25/54/51/472255451.db2.gz UUOFAXIBZCPDJS-UHFFFAOYSA-N -1 1 348.388 2.814 20 5 EFBDMM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000056108769 472283058 /nfs/dbraw/zinc/28/30/58/472283058.db2.gz HTGRRBRALHFXMM-VIFPVBQESA-N -1 1 342.323 2.913 20 5 EFBDMM COC(=O)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])o2)nc1C1CC1 ZINC000089418731 472434284 /nfs/dbraw/zinc/43/42/84/472434284.db2.gz CIZPYWDQKXREML-UHFFFAOYSA-N -1 1 337.313 2.561 20 5 EFBDMM O=C(N[C@@H]1CCSc2c(F)cccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000128747342 472490785 /nfs/dbraw/zinc/49/07/85/472490785.db2.gz FVUKIQDXPJQYGV-GFCCVEGCSA-N -1 1 349.343 2.801 20 5 EFBDMM COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(F)c2)cc1[N+](=O)[O-] ZINC000155002717 472495476 /nfs/dbraw/zinc/49/54/76/472495476.db2.gz FNVZTBKWPDYKCO-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1c[n-]c2ccccc2c1=O ZINC000089887796 472534611 /nfs/dbraw/zinc/53/46/11/472534611.db2.gz XZFRYJZGHGATSC-UHFFFAOYSA-N -1 1 349.306 2.565 20 5 EFBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)cc1[N+](=O)[O-] ZINC000047211519 472671228 /nfs/dbraw/zinc/67/12/28/472671228.db2.gz SPWJUZSHAGHXDJ-UHFFFAOYSA-N -1 1 344.352 2.647 20 5 EFBDMM Cc1ccc(O)c([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1 ZINC000157306494 472806332 /nfs/dbraw/zinc/80/63/32/472806332.db2.gz ZEMVOQGWRBRUGQ-UHFFFAOYSA-N -1 1 336.369 2.593 20 5 EFBDMM CCOC(=O)CC[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092073547 472853399 /nfs/dbraw/zinc/85/33/99/472853399.db2.gz VMPVTVUBNUEFON-ZDUSSCGKSA-N -1 1 336.388 2.856 20 5 EFBDMM O=C([N-]c1nncs1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050296181 472989096 /nfs/dbraw/zinc/98/90/96/472989096.db2.gz DASDCJXBQTXJCK-UHFFFAOYSA-N -1 1 333.354 2.822 20 5 EFBDMM CCCCc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[nH]n1 ZINC000159959625 473076337 /nfs/dbraw/zinc/07/63/37/473076337.db2.gz FOPIIRISKQHKIP-UHFFFAOYSA-N -1 1 338.389 2.770 20 5 EFBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cc(C(C)C)n[nH]1 ZINC000160639689 473155774 /nfs/dbraw/zinc/15/57/74/473155774.db2.gz MUCVYAIUAJBSOC-UHFFFAOYSA-N -1 1 338.389 2.859 20 5 EFBDMM CC[C@@](C)([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nccs1 ZINC000151470105 473460836 /nfs/dbraw/zinc/46/08/36/473460836.db2.gz CZUXXTCOEJAWSI-CYBMUJFWSA-N -1 1 341.414 2.655 20 5 EFBDMM C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000164346936 473486647 /nfs/dbraw/zinc/48/66/47/473486647.db2.gz LJDQTRFQIFFAGS-LBPRGKRZSA-N -1 1 335.404 2.541 20 5 EFBDMM CC[C@H](c1ccncc1)N(CC)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185713082 473495637 /nfs/dbraw/zinc/49/56/37/473495637.db2.gz YPQBSIVTSSJVSJ-CYBMUJFWSA-N -1 1 330.344 2.704 20 5 EFBDMM CC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000185717947 473496739 /nfs/dbraw/zinc/49/67/39/473496739.db2.gz DCGQPDFFVISXKX-LBPRGKRZSA-N -1 1 337.282 2.855 20 5 EFBDMM CC[C@](C)(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000185730829 473500105 /nfs/dbraw/zinc/50/01/05/473500105.db2.gz INCJFZXVYKCMEM-AWEZNQCLSA-N -1 1 336.373 2.516 20 5 EFBDMM C[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC[C@H]1c1ccccc1 ZINC000185738014 473502468 /nfs/dbraw/zinc/50/24/68/473502468.db2.gz SKWCIWJPUVINAT-SWLSCSKDSA-N -1 1 341.367 2.961 20 5 EFBDMM CSCCCCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000185977095 473562375 /nfs/dbraw/zinc/56/23/75/473562375.db2.gz MEWWCXJMDGJOSF-UHFFFAOYSA-N -1 1 336.410 2.546 20 5 EFBDMM Cc1ccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])[nH]n2)o1 ZINC000179172988 473646508 /nfs/dbraw/zinc/64/65/08/473646508.db2.gz UCGKNLABPVSIEL-UHFFFAOYSA-N -1 1 328.284 2.844 20 5 EFBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000186790014 473755852 /nfs/dbraw/zinc/75/58/52/473755852.db2.gz WBULESLZCDSWFQ-VIFPVBQESA-N -1 1 327.296 2.933 20 5 EFBDMM O=C(NC[C@@H]1CCCc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186879948 473774065 /nfs/dbraw/zinc/77/40/65/473774065.db2.gz HXGKNAISGOXMFV-LBPRGKRZSA-N -1 1 327.340 2.545 20 5 EFBDMM CCCCOc1cccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000186954584 473786607 /nfs/dbraw/zinc/78/66/07/473786607.db2.gz RGXPYFBYDUSXDM-UHFFFAOYSA-N -1 1 345.355 2.804 20 5 EFBDMM O=C(N[C@H]1CCOc2c(Cl)cccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187008671 473800940 /nfs/dbraw/zinc/80/09/40/473800940.db2.gz VLHNGDQYRJWABU-NSHDSACASA-N -1 1 349.730 2.602 20 5 EFBDMM Cc1ccc(C)n1C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000263686315 473805564 /nfs/dbraw/zinc/80/55/64/473805564.db2.gz LWKHPHUANJVNIR-UHFFFAOYSA-N -1 1 344.371 2.591 20 5 EFBDMM C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193774828 473808061 /nfs/dbraw/zinc/80/80/61/473808061.db2.gz OBPAIXJSSTVALZ-BONVTDFDSA-N -1 1 327.340 2.749 20 5 EFBDMM COc1cccc(F)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000187054966 473810792 /nfs/dbraw/zinc/81/07/92/473810792.db2.gz DJIXIQAVRQEYHU-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM CC[C@H]1c2ccsc2CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187073231 473811702 /nfs/dbraw/zinc/81/17/02/473811702.db2.gz FKPUNULROJEMSM-NSHDSACASA-N -1 1 333.369 2.907 20 5 EFBDMM O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187112594 473820765 /nfs/dbraw/zinc/82/07/65/473820765.db2.gz JSNVXXZAIZZVSG-UKRRQHHQSA-N -1 1 341.367 2.837 20 5 EFBDMM CCO[C@@H]1C[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C12CCCCC2 ZINC000187131612 473823157 /nfs/dbraw/zinc/82/31/57/473823157.db2.gz CAUZJLSKKAPMPN-ZIAGYGMSSA-N -1 1 349.387 2.553 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1Cc1ccccc1 ZINC000187213928 473838880 /nfs/dbraw/zinc/83/88/80/473838880.db2.gz YKVONRUYRKVLAU-AWEZNQCLSA-N -1 1 327.340 2.543 20 5 EFBDMM O=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000288159318 473862610 /nfs/dbraw/zinc/86/26/10/473862610.db2.gz YZLQDHBEVCOCBR-PSASIEDQSA-N -1 1 347.293 2.794 20 5 EFBDMM CC(=O)OCCCc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000274562549 473876785 /nfs/dbraw/zinc/87/67/85/473876785.db2.gz WNQSGTIURTVGNS-UHFFFAOYSA-N -1 1 331.328 2.671 20 5 EFBDMM Cc1cc(F)c([N-]S(=O)(=O)c2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC000282271048 474003376 /nfs/dbraw/zinc/00/33/76/474003376.db2.gz ICRNTSBBNFHVFG-UHFFFAOYSA-N -1 1 342.352 2.621 20 5 EFBDMM O=C(NCC1(c2ccc(Cl)cc2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188382218 474076778 /nfs/dbraw/zinc/07/67/78/474076778.db2.gz ZJKNPIHUXCYQAC-UHFFFAOYSA-N -1 1 347.758 2.810 20 5 EFBDMM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)s1 ZINC000188436535 474095272 /nfs/dbraw/zinc/09/52/72/474095272.db2.gz FEWNQDBCKMPUHE-MRVPVSSYSA-N -1 1 336.373 2.602 20 5 EFBDMM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000175276119 474177269 /nfs/dbraw/zinc/17/72/69/474177269.db2.gz IUGJBLZTCCLDLD-QWRGUYRKSA-N -1 1 348.421 2.686 20 5 EFBDMM O=C(Nc1ccc(OCC2CCOCC2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000265622317 474271943 /nfs/dbraw/zinc/27/19/43/474271943.db2.gz NQZNCBQCQDDABC-UHFFFAOYSA-N -1 1 345.355 2.981 20 5 EFBDMM O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccc([N+](=O)[O-])[n-]1 ZINC000341048489 474914820 /nfs/dbraw/zinc/91/48/20/474914820.db2.gz WZIWKYDSDYEVSL-LLVKDONJSA-N -1 1 349.318 2.872 20 5 EFBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000322128116 474936001 /nfs/dbraw/zinc/93/60/01/474936001.db2.gz NJIFSEXPBYHSBJ-UHFFFAOYSA-N -1 1 338.389 2.725 20 5 EFBDMM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000354673150 475330030 /nfs/dbraw/zinc/33/00/30/475330030.db2.gz RCNQPUDFZJDSAC-MRVPVSSYSA-N -1 1 326.296 2.604 20 5 EFBDMM O=C(N[C@@H]1CC[C@@H](c2ccccc2F)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000361346032 475373296 /nfs/dbraw/zinc/37/32/96/475373296.db2.gz LXJIDDPGFKRQIW-GHMZBOCLSA-N -1 1 345.330 2.901 20 5 EFBDMM CCc1cccc2c1OCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000338139486 475619057 /nfs/dbraw/zinc/61/90/57/475619057.db2.gz FKULOFSKRLZDEE-AWEZNQCLSA-N -1 1 343.339 2.511 20 5 EFBDMM COC(=O)c1ccc([N+](=O)[O-])c([N-]c2cnn([C@H](C)C3CC3)c2)n1 ZINC000343010586 475696182 /nfs/dbraw/zinc/69/61/82/475696182.db2.gz CKFLYMPDCZFTGN-SECBINFHSA-N -1 1 331.332 2.688 20 5 EFBDMM CC[C@H](C)n1ncc([N-]c2nc(C(=O)OC)ccc2[N+](=O)[O-])c1C ZINC000343230836 475872805 /nfs/dbraw/zinc/87/28/05/475872805.db2.gz WOAUQIHXQDUSOS-VIFPVBQESA-N -1 1 333.348 2.996 20 5 EFBDMM O=C(Nc1ccc(F)cc1[O-])c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000340331723 475953210 /nfs/dbraw/zinc/95/32/10/475953210.db2.gz AFDHJUGFIMDPRV-UHFFFAOYSA-N -1 1 342.286 2.878 20 5 EFBDMM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000362094228 475995231 /nfs/dbraw/zinc/99/52/31/475995231.db2.gz MKXZVJXJPMPJPN-ZCFIWIBFSA-N -1 1 346.714 2.867 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000340576617 476116513 /nfs/dbraw/zinc/11/65/13/476116513.db2.gz XOOBNPHMARRYGL-UHFFFAOYSA-N -1 1 334.353 2.734 20 5 EFBDMM O=C([N-]c1nnc(C(F)(F)F)s1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344242530 476178098 /nfs/dbraw/zinc/17/80/98/476178098.db2.gz ODRAZMQUBWRDOW-UHFFFAOYSA-N -1 1 336.226 2.857 20 5 EFBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1CCN(C2CC2)c2ccc(F)cc21 ZINC000359369478 476225937 /nfs/dbraw/zinc/22/59/37/476225937.db2.gz KFMPZSDHFMEONL-UHFFFAOYSA-N -1 1 330.319 2.691 20 5 EFBDMM CC[C@H](NC(=O)c1ccccc1)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000347304790 476245102 /nfs/dbraw/zinc/24/51/02/476245102.db2.gz ZMMQQZFOHGGBSL-NSHDSACASA-N -1 1 341.327 2.854 20 5 EFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Br)cn3)no2)[n-]1 ZINC000350756897 476297692 /nfs/dbraw/zinc/29/76/92/476297692.db2.gz HKKPVWBGEHZBOK-UHFFFAOYSA-N -1 1 336.105 2.797 20 5 EFBDMM CC(C)Cn1ncc([N-]c2nccc(C(N)=O)c2[N+](=O)[O-])c1C1CC1 ZINC000357540705 476441713 /nfs/dbraw/zinc/44/17/13/476441713.db2.gz XANJWIJUMZHHGO-UHFFFAOYSA-N -1 1 344.375 2.562 20 5 EFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000377560894 476453145 /nfs/dbraw/zinc/45/31/45/476453145.db2.gz RFYFZDVQIIHHRY-AWEZNQCLSA-N -1 1 341.367 2.790 20 5 EFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@](F)(c2ccccc2F)C1 ZINC000374997101 476626970 /nfs/dbraw/zinc/62/69/70/476626970.db2.gz WHIRZCQVHFSLJL-INIZCTEOSA-N -1 1 349.293 2.545 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2ccc(F)cc2)CC1 ZINC000365638011 476658731 /nfs/dbraw/zinc/65/87/31/476658731.db2.gz LOQNJBJNTOHQOP-UHFFFAOYSA-N -1 1 345.330 2.854 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2cccc(F)c2)CC1 ZINC000365649531 476662003 /nfs/dbraw/zinc/66/20/03/476662003.db2.gz OLCOMYMYOGNSQB-UHFFFAOYSA-N -1 1 345.330 2.854 20 5 EFBDMM Cc1cccc(C)c1NC(=O)Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000445321680 476736921 /nfs/dbraw/zinc/73/69/21/476736921.db2.gz SJDHEIQGXVHVDG-UHFFFAOYSA-N -1 1 341.327 2.771 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nc(-c3ccc([O-])cc3F)no2)cc2c1OCO2 ZINC000445459836 476742789 /nfs/dbraw/zinc/74/27/89/476742789.db2.gz IDDXCIHNVWGLLR-UHFFFAOYSA-N -1 1 345.242 2.885 20 5 EFBDMM CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000447070871 476948170 /nfs/dbraw/zinc/94/81/70/476948170.db2.gz YKNKTCAJHKYDOY-UHFFFAOYSA-N -1 1 332.360 2.593 20 5 EFBDMM CCc1[nH]nc(C(=O)[N-]c2c(OC)cccc2SC)c1[N+](=O)[O-] ZINC000416363031 477146888 /nfs/dbraw/zinc/14/68/88/477146888.db2.gz YQXLBKFHWBBMBY-UHFFFAOYSA-N -1 1 336.373 2.863 20 5 EFBDMM CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C2 ZINC000376063672 477157031 /nfs/dbraw/zinc/15/70/31/477157031.db2.gz ADNFBYXVQMVUAZ-SNVBAGLBSA-N -1 1 344.371 2.891 20 5 EFBDMM CCOC(=O)c1cnc(C(C)=Cc2ccc([N+](=O)[O-])cc2F)[n-]c1=O ZINC000432704864 477252381 /nfs/dbraw/zinc/25/23/81/477252381.db2.gz HTFMJGVUACEXDE-TWGQIWQCSA-N -1 1 347.302 2.967 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@H]1CCC(=O)[O-] ZINC000424268241 477349980 /nfs/dbraw/zinc/34/99/80/477349980.db2.gz ZRFXBPBPOGXCSY-ZDUSSCGKSA-N -1 1 349.387 2.561 20 5 EFBDMM O=C(c1cc(Cl)ccc1[O-])N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000436606629 477531394 /nfs/dbraw/zinc/53/13/94/477531394.db2.gz HROOSWRUJWWDGQ-UHFFFAOYSA-N -1 1 348.742 2.989 20 5 EFBDMM Cc1ccc([C@@H](C)NC(=O)c2csc(=NC3CC3)[n-]2)cc1[N+](=O)[O-] ZINC000426665629 477735517 /nfs/dbraw/zinc/73/55/17/477735517.db2.gz LSAGFUKFICSVFI-SNVBAGLBSA-N -1 1 346.412 2.847 20 5 EFBDMM COc1ccc([C@H](NCc2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])cc1F ZINC000426830261 477749580 /nfs/dbraw/zinc/74/95/80/477749580.db2.gz WQNFTQJLFGTGQI-INIZCTEOSA-N -1 1 348.330 2.966 20 5 EFBDMM COc1ccc([C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])cc1F ZINC000426830262 477749925 /nfs/dbraw/zinc/74/99/25/477749925.db2.gz WQNFTQJLFGTGQI-MRXNPFEDSA-N -1 1 348.330 2.966 20 5 EFBDMM C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000461849322 477884528 /nfs/dbraw/zinc/88/45/28/477884528.db2.gz KERBJXDFNYFHQZ-VHSXEESVSA-N -1 1 332.809 2.963 20 5 EFBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cccc2c1OCC2 ZINC000600660051 478458587 /nfs/dbraw/zinc/45/85/87/478458587.db2.gz OAVFFJQOXPYDNA-UHFFFAOYSA-N -1 1 348.380 2.514 20 5 EFBDMM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1O ZINC000600671593 478460407 /nfs/dbraw/zinc/46/04/07/478460407.db2.gz QVCOWSOSHPUCDT-UHFFFAOYSA-N -1 1 347.327 2.836 20 5 EFBDMM O=C(c1ccc([O-])cc1)C1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591150957 478476931 /nfs/dbraw/zinc/47/69/31/478476931.db2.gz AQDGLMGGKUUSNA-UHFFFAOYSA-N -1 1 345.330 2.934 20 5 EFBDMM CC[N@H+]1C[C@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000570930566 478482055 /nfs/dbraw/zinc/48/20/55/478482055.db2.gz XLIUMAKVFRQQRQ-ZJUUUORDSA-N -1 1 341.795 2.509 20 5 EFBDMM CCN1C[C@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000570930566 478482059 /nfs/dbraw/zinc/48/20/59/478482059.db2.gz XLIUMAKVFRQQRQ-ZJUUUORDSA-N -1 1 341.795 2.509 20 5 EFBDMM C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@H]1C(=O)[O-] ZINC000600799079 478526968 /nfs/dbraw/zinc/52/69/68/478526968.db2.gz CZPOOOUBMBNCJJ-JOYOIKCWSA-N -1 1 344.314 2.739 20 5 EFBDMM CC[C@H](Cc1ccc(F)cc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000597883816 478559436 /nfs/dbraw/zinc/55/94/36/478559436.db2.gz HEGYCJGLRHYIRJ-CYBMUJFWSA-N -1 1 333.319 2.586 20 5 EFBDMM Cc1noc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)c1[N+](=O)[O-] ZINC000595353973 478743812 /nfs/dbraw/zinc/74/38/12/478743812.db2.gz KUPICOIHVBQMKZ-UHFFFAOYSA-N -1 1 345.355 2.692 20 5 EFBDMM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)c(F)cc1[N+](=O)[O-] ZINC000601372091 478807068 /nfs/dbraw/zinc/80/70/68/478807068.db2.gz QYHSMRNMSQBRRF-MRVPVSSYSA-N -1 1 338.307 2.508 20 5 EFBDMM O=C([O-])c1cccc2c1CCN(CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000583392393 478841571 /nfs/dbraw/zinc/84/15/71/478841571.db2.gz FUVZDWLXCPZSSX-UHFFFAOYSA-N -1 1 342.351 2.730 20 5 EFBDMM Cc1cc(NCc2n[nH]c(C(C)(C)C)n2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583567910 478880843 /nfs/dbraw/zinc/88/08/43/478880843.db2.gz PUEUUDMDUVFLPV-UHFFFAOYSA-N -1 1 333.348 2.629 20 5 EFBDMM Cc1n[nH]c(C(F)(F)F)c1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000611294740 479340459 /nfs/dbraw/zinc/34/04/59/479340459.db2.gz XYQHLAQFFMJIFB-UHFFFAOYSA-N -1 1 330.222 2.603 20 5 EFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1(C2CCC2)CC1 ZINC000593643822 479411516 /nfs/dbraw/zinc/41/15/16/479411516.db2.gz GACARQSATNSWQG-UHFFFAOYSA-N -1 1 330.793 2.859 20 5 EFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C1(C2CCC2)CC1 ZINC000593644067 479411570 /nfs/dbraw/zinc/41/15/70/479411570.db2.gz MMOGRYYSGZATNK-UHFFFAOYSA-N -1 1 330.793 2.859 20 5 EFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C1CC2(CCC2)C1 ZINC000593664017 479415672 /nfs/dbraw/zinc/41/56/72/479415672.db2.gz JPOJZFDWSCEMCS-UHFFFAOYSA-N -1 1 330.793 2.859 20 5 EFBDMM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000603958681 479457785 /nfs/dbraw/zinc/45/77/85/479457785.db2.gz JRJNQQPKQWMSMC-JQWIXIFHSA-N -1 1 336.369 2.790 20 5 EFBDMM CNc1ccc(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)cc1[N+](=O)[O-] ZINC000604194609 479484220 /nfs/dbraw/zinc/48/42/20/479484220.db2.gz VQONOUYIEYYENT-UHFFFAOYSA-N -1 1 343.368 2.762 20 5 EFBDMM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000614856582 479529703 /nfs/dbraw/zinc/52/97/03/479529703.db2.gz FODRQJFCYZCGGV-UHFFFAOYSA-N -1 1 326.296 2.604 20 5 EFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2c(O)cccc2Cl)cc1 ZINC000590597604 479665696 /nfs/dbraw/zinc/66/56/96/479665696.db2.gz JYJBCDBGIAQUCI-UHFFFAOYSA-N -1 1 328.733 2.755 20 5 EFBDMM CCOc1ccc([N+](=O)[O-])cc1CNCc1cccc(C(=O)[O-])c1 ZINC000617338529 480171900 /nfs/dbraw/zinc/17/19/00/480171900.db2.gz RKBRSKFFDCWBKK-UHFFFAOYSA-N -1 1 330.340 2.982 20 5 EFBDMM CCC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000610259571 480263482 /nfs/dbraw/zinc/26/34/82/480263482.db2.gz FUPHYVQLZVJGEQ-ZDUSSCGKSA-N -1 1 335.385 2.810 20 5 EFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000610260030 480263517 /nfs/dbraw/zinc/26/35/17/480263517.db2.gz UNZXJOQUSQWRRY-YNEHKIRRSA-N -1 1 339.417 2.627 20 5 EFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCCCCc1ccccc1 ZINC000610262590 480264985 /nfs/dbraw/zinc/26/49/85/480264985.db2.gz MSTJAIJKHWMAEJ-UHFFFAOYSA-N -1 1 349.412 2.681 20 5 EFBDMM CCC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610262629 480265014 /nfs/dbraw/zinc/26/50/14/480265014.db2.gz BUNWCCCUQAXBKT-NWDGAFQWSA-N -1 1 327.406 2.627 20 5 EFBDMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000119587295 518409987 /nfs/dbraw/zinc/40/99/87/518409987.db2.gz MUDVWGFAJVLZIX-UHFFFAOYSA-N -1 1 334.353 2.907 20 5 EFBDMM CCOc1cc([N-]C(=O)c2cc(C)no2)c([N+](=O)[O-])cc1OCC ZINC000073081983 520758117 /nfs/dbraw/zinc/75/81/17/520758117.db2.gz CWODKCCLWHWORV-UHFFFAOYSA-N -1 1 335.316 2.941 20 5 EFBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1c(C)cccc1F ZINC000180742933 522986378 /nfs/dbraw/zinc/98/63/78/522986378.db2.gz HFTXVRMRDYZRRD-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM CCCN(CCc1cccc(F)c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187093336 528106176 /nfs/dbraw/zinc/10/61/76/528106176.db2.gz JMOHRLYKDZFOCF-UHFFFAOYSA-N -1 1 347.346 2.929 20 5 EFBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263364781 535022867 /nfs/dbraw/zinc/02/28/67/535022867.db2.gz SVOGFYMOSWYJQS-OCCSQVGLSA-N -1 1 336.388 2.925 20 5 EFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC12CCC(CC1)C2 ZINC000756971575 575806504 /nfs/dbraw/zinc/80/65/04/575806504.db2.gz CCIGAONKKYXTDC-UHFFFAOYSA-N -1 1 328.365 2.593 20 5 EFBDMM Cc1n[n-]cc1S(=O)(=O)Oc1ccc([N+](=O)[O-])c2ccccc12 ZINC000757362390 575838228 /nfs/dbraw/zinc/83/82/28/575838228.db2.gz RTJGCGXKMYIHCC-UHFFFAOYSA-N -1 1 333.325 2.547 20 5 EFBDMM Cc1nc2ccc([N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])cc2[nH]1 ZINC000759148348 575885590 /nfs/dbraw/zinc/88/55/90/575885590.db2.gz RQJYLQLBWOANJE-UHFFFAOYSA-N -1 1 346.368 2.889 20 5 EFBDMM Cc1c([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[nH]nc1C1CC1 ZINC000760322587 576004783 /nfs/dbraw/zinc/00/47/83/576004783.db2.gz KJHOJJFMAPSNSW-UHFFFAOYSA-N -1 1 336.373 2.613 20 5 EFBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc[nH]1 ZINC000760403912 576019071 /nfs/dbraw/zinc/01/90/71/576019071.db2.gz MJGPKEJTAFJZJA-MRVPVSSYSA-N -1 1 329.765 2.616 20 5 EFBDMM Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(F)cc2[O-])cc1[N+](=O)[O-] ZINC000768258262 577263421 /nfs/dbraw/zinc/26/34/21/577263421.db2.gz MKNVCPOGYKPOEA-UHFFFAOYSA-N -1 1 335.247 2.908 20 5 EFBDMM COc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(Cl)n1 ZINC000768862243 577311206 /nfs/dbraw/zinc/31/12/06/577311206.db2.gz QOIMSXARAQUCEF-UHFFFAOYSA-N -1 1 349.777 2.514 20 5 EFBDMM Cc1ccc(NC(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1C ZINC000769045053 577327233 /nfs/dbraw/zinc/32/72/33/577327233.db2.gz FEMKKSGXLZPKIS-UHFFFAOYSA-N -1 1 344.323 2.713 20 5 EFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000769050132 577328188 /nfs/dbraw/zinc/32/81/88/577328188.db2.gz ZWJRBWVCFAEXPN-UHFFFAOYSA-N -1 1 335.699 2.994 20 5 EFBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000770494934 577421646 /nfs/dbraw/zinc/42/16/46/577421646.db2.gz ZRWMEEXQDSFPCE-QMMMGPOBSA-N -1 1 344.352 2.796 20 5 EFBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1nc2c(cnn2C)c(=O)[n-]1 ZINC000771209756 581187904 /nfs/dbraw/zinc/18/79/04/581187904.db2.gz BAZAEBXTIKCLAL-UHFFFAOYSA-N -1 1 335.707 2.731 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc([O-])cc1F ZINC000773570380 581446832 /nfs/dbraw/zinc/44/68/32/581446832.db2.gz PBRMLMQBAHNWOO-UHFFFAOYSA-N -1 1 348.286 2.543 20 5 EFBDMM Cc1ccc(C)c(Sc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000822231680 599150844 /nfs/dbraw/zinc/15/08/44/599150844.db2.gz CURMBOUHOHFMLA-UHFFFAOYSA-N -1 1 328.357 2.938 20 5 EFBDMM O=C([O-])C[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000821516022 597459590 /nfs/dbraw/zinc/45/95/90/597459590.db2.gz MVBSSKIHTBJKHD-LBPRGKRZSA-N -1 1 345.355 2.937 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCc2cccc(F)c2)cc1-c1nnn[n-]1 ZINC000826499139 607451072 /nfs/dbraw/zinc/45/10/72/607451072.db2.gz XAEHKATXAYKLML-UHFFFAOYSA-N -1 1 328.307 2.569 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCc2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000826499139 607451073 /nfs/dbraw/zinc/45/10/73/607451073.db2.gz XAEHKATXAYKLML-UHFFFAOYSA-N -1 1 328.307 2.569 20 5 EFBDMM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](C(=O)[O-])C1 ZINC000736729203 601032031 /nfs/dbraw/zinc/03/20/31/601032031.db2.gz XUALNFVKGURLJC-PWSUYJOCSA-N -1 1 346.343 2.502 20 5 EFBDMM O=C([O-])c1cc([N+](=O)[O-])c(N2CC[N@H+]3CCCC[C@H]3C2)cc1Cl ZINC000833306889 602253658 /nfs/dbraw/zinc/25/36/58/602253658.db2.gz FXTIJNFMNXWKLE-JTQLQIEISA-N -1 1 339.779 2.621 20 5 EFBDMM O=C([O-])c1cc([N+](=O)[O-])c(N2CCN3CCCC[C@H]3C2)cc1Cl ZINC000833306889 602253660 /nfs/dbraw/zinc/25/36/60/602253660.db2.gz FXTIJNFMNXWKLE-JTQLQIEISA-N -1 1 339.779 2.621 20 5 EFBDMM O=C([O-])c1cc([N+](=O)[O-])c(N2CC[N@H+]3CCCC[C@@H]3C2)cc1Cl ZINC000833306890 602253690 /nfs/dbraw/zinc/25/36/90/602253690.db2.gz FXTIJNFMNXWKLE-SNVBAGLBSA-N -1 1 339.779 2.621 20 5 EFBDMM O=C([O-])c1cc([N+](=O)[O-])c(N2CCN3CCCC[C@@H]3C2)cc1Cl ZINC000833306890 602253692 /nfs/dbraw/zinc/25/36/92/602253692.db2.gz FXTIJNFMNXWKLE-SNVBAGLBSA-N -1 1 339.779 2.621 20 5 EFBDMM O=C([O-])c1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1Cl ZINC000833159102 604593468 /nfs/dbraw/zinc/59/34/68/604593468.db2.gz QYFMEUYLEJQYBV-UHFFFAOYSA-N -1 1 336.687 2.904 20 5 EFBDMM CC[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1cccc([N+](=O)[O-])c1 ZINC000820925776 606479185 /nfs/dbraw/zinc/47/91/85/606479185.db2.gz LVQBJVYBSKXHNG-LBPRGKRZSA-N -1 1 325.332 2.733 20 5 EFBDMM CC[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1cccc([N+](=O)[O-])c1 ZINC000820925776 606479186 /nfs/dbraw/zinc/47/91/86/606479186.db2.gz LVQBJVYBSKXHNG-LBPRGKRZSA-N -1 1 325.332 2.733 20 5 EFBDMM C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1c(F)cccc1F ZINC000820461187 606699140 /nfs/dbraw/zinc/69/91/40/606699140.db2.gz FTALWFNQYFGVEY-ZETCQYMHSA-N -1 1 347.285 2.621 20 5 EFBDMM C[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1c(F)cccc1F ZINC000820461187 606699142 /nfs/dbraw/zinc/69/91/42/606699142.db2.gz FTALWFNQYFGVEY-ZETCQYMHSA-N -1 1 347.285 2.621 20 5 EFBDMM CSCc1cccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821969489 606709687 /nfs/dbraw/zinc/70/96/87/606709687.db2.gz AVCKYGVKYOLYHC-UHFFFAOYSA-N -1 1 343.372 2.777 20 5 EFBDMM CSCc1cccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821969489 606709688 /nfs/dbraw/zinc/70/96/88/606709688.db2.gz AVCKYGVKYOLYHC-UHFFFAOYSA-N -1 1 343.372 2.777 20 5 EFBDMM CCC[C@@]1(C)CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821028783 606713422 /nfs/dbraw/zinc/71/34/22/606713422.db2.gz ZTJFOXPGGFAMFK-HNNXBMFYSA-N -1 1 331.380 2.577 20 5 EFBDMM CCC[C@@]1(C)CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821028783 606713423 /nfs/dbraw/zinc/71/34/23/606713423.db2.gz ZTJFOXPGGFAMFK-HNNXBMFYSA-N -1 1 331.380 2.577 20 5 EFBDMM CCCc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821143083 607162439 /nfs/dbraw/zinc/16/24/39/607162439.db2.gz QPYLONUDCCRUFW-UHFFFAOYSA-N -1 1 325.332 2.866 20 5 EFBDMM CCCc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821143083 607162441 /nfs/dbraw/zinc/16/24/41/607162441.db2.gz QPYLONUDCCRUFW-UHFFFAOYSA-N -1 1 325.332 2.866 20 5 EFBDMM Cc1ccc(C)c(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000822231922 607162711 /nfs/dbraw/zinc/16/27/11/607162711.db2.gz MVBYGVNHWBZEIO-UHFFFAOYSA-N -1 1 328.357 2.938 20 5 EFBDMM Cc1ccc(C)c(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000822231922 607162713 /nfs/dbraw/zinc/16/27/13/607162713.db2.gz MVBYGVNHWBZEIO-UHFFFAOYSA-N -1 1 328.357 2.938 20 5 EFBDMM O=[N+]([O-])c1cccc(F)c1COc1cccc(F)c1-c1nnn[n-]1 ZINC000826499510 607866545 /nfs/dbraw/zinc/86/65/45/607866545.db2.gz LOJLQTMMSGNUPO-UHFFFAOYSA-N -1 1 333.254 2.632 20 5 EFBDMM O=[N+]([O-])c1cccc(F)c1COc1cccc(F)c1-c1nn[n-]n1 ZINC000826499510 607866546 /nfs/dbraw/zinc/86/65/46/607866546.db2.gz LOJLQTMMSGNUPO-UHFFFAOYSA-N -1 1 333.254 2.632 20 5 EFBDMM CC[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000791420029 1278100331 /nfs/dbraw/zinc/10/03/31/1278100331.db2.gz WDGFXLQEUYOENW-GFCCVEGCSA-N -1 1 325.317 2.578 20 5 EFBDMM CC1([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC001117804980 1269097658 /nfs/dbraw/zinc/09/76/58/1269097658.db2.gz RWZWUOHBXNKHRF-UHFFFAOYSA-N -1 1 325.173 2.732 20 5 EFBDMM CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])[nH]n1 ZINC000743046655 1270381700 /nfs/dbraw/zinc/38/17/00/1270381700.db2.gz IZRIJFRZYCPKQB-UHFFFAOYSA-N -1 1 342.352 2.555 20 5 EFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1cccc2cc[nH]c21 ZINC000786136735 1275321143 /nfs/dbraw/zinc/32/11/43/1275321143.db2.gz VNMOWMJEIYMMQN-UHFFFAOYSA-N -1 1 349.343 2.694 20 5 EFBDMM O=c1nc2nc[nH]c2c(Nc2ncnc3cc4ccccc4cc32)[n-]1 ZINC001170227941 1278943723 /nfs/dbraw/zinc/94/37/23/1278943723.db2.gz XZYBYARATMRVOV-UHFFFAOYSA-N -1 1 329.323 2.899 20 5 EFBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)CCOCC1CC1 ZINC000818050379 1276468844 /nfs/dbraw/zinc/46/88/44/1276468844.db2.gz RLUNVXHTNCIHRR-UHFFFAOYSA-N -1 1 348.808 2.725 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCCC1CC1 ZINC000815016299 1287249619 /nfs/dbraw/zinc/24/96/19/1287249619.db2.gz FVEHNMOKLMKCGK-UHFFFAOYSA-N -1 1 336.772 2.856 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC1(C2CC2)CC1 ZINC000815025977 1287275433 /nfs/dbraw/zinc/27/54/33/1287275433.db2.gz MHVQLDOMBDZRCN-UHFFFAOYSA-N -1 1 348.783 2.856 20 5 EFBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)c1F ZINC000790867543 1277813486 /nfs/dbraw/zinc/81/34/86/1277813486.db2.gz UPZWERNJVCPCDI-UHFFFAOYSA-N -1 1 349.709 2.991 20 5 EFBDMM COc1cccc2c(C(=O)OCc3cc(F)ccc3[N+](=O)[O-])[nH]nc21 ZINC000808675444 1281859820 /nfs/dbraw/zinc/85/98/20/1281859820.db2.gz GXMLJPLBMYGYNW-UHFFFAOYSA-N -1 1 345.286 2.976 20 5 EFBDMM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809808195 1282472717 /nfs/dbraw/zinc/47/27/17/1282472717.db2.gz JFMRGGNLKYREOF-RNFRBKRXSA-N -1 1 339.200 2.836 20 5 EFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCC2CC2)c(Cl)cc1Cl ZINC000809821548 1282517663 /nfs/dbraw/zinc/51/76/63/1282517663.db2.gz VNFSZPLNKCITQW-UHFFFAOYSA-N -1 1 339.200 2.980 20 5 EFBDMM Cc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001175902526 1287603407 /nfs/dbraw/zinc/60/34/07/1287603407.db2.gz OPONQDIQWLQJLL-CMDGGOBGSA-N -1 1 333.369 2.625 20 5 EFBDMM O=c1[n-]nc([C@H]2CCCN(c3nc4ccc([N+](=O)[O-])cc4s3)C2)o1 ZINC000811841226 1284672777 /nfs/dbraw/zinc/67/27/77/1284672777.db2.gz WUAFFNOFHZCTDA-QMMMGPOBSA-N -1 1 347.356 2.677 20 5 EFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)cs1 ZINC000814285094 1286477758 /nfs/dbraw/zinc/47/77/58/1286477758.db2.gz DTBLCILXEXZPNU-LLVKDONJSA-N -1 1 348.352 2.941 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C(C1CC1)C1CC1 ZINC000814982706 1287203947 /nfs/dbraw/zinc/20/39/47/1287203947.db2.gz LRXOZZAATWNKFK-UHFFFAOYSA-N -1 1 348.783 2.854 20 5 EFBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1ncn(-c2ccccc2)n1 ZINC000092825577 1290911454 /nfs/dbraw/zinc/91/14/54/1290911454.db2.gz VNWRRSDXELPYKA-UHFFFAOYSA-N -1 1 327.275 2.567 20 5 EFBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1ncn(-c2ccccc2)n1 ZINC000092825730 1290911795 /nfs/dbraw/zinc/91/17/95/1290911795.db2.gz FZBVLMGWGPNOTA-UHFFFAOYSA-N -1 1 345.265 2.706 20 5 EFBDMM COC[C@@H](C)OC[C@H](C)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233505768 1312946789 /nfs/dbraw/zinc/94/67/89/1312946789.db2.gz GFWVNYGGWUNNED-BDAKNGLRSA-N -1 1 343.767 2.943 20 5 EFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccc(F)c1 ZINC000101571358 1293777446 /nfs/dbraw/zinc/77/74/46/1293777446.db2.gz GAFKNSVSUFSFPO-UHFFFAOYSA-N -1 1 344.751 2.866 20 5 EFBDMM COc1ccccc1S(=O)(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000800052060 1293896068 /nfs/dbraw/zinc/89/60/68/1293896068.db2.gz FDLBFIMJHJXFKI-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM CO[C@@H](C)CCOc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234125631 1313062210 /nfs/dbraw/zinc/06/22/10/1313062210.db2.gz UVLCGDZZVPGDMA-VIFPVBQESA-N -1 1 346.335 2.867 20 5 EFBDMM CCOC(=O)[C@H](C)Oc1cc([O-])cc2oc3ccc(O)cc3c(=O)c12 ZINC001234743927 1313188191 /nfs/dbraw/zinc/18/81/91/1313188191.db2.gz HOZNYFMIWGTDOJ-VIFPVBQESA-N -1 1 344.319 2.688 20 5 EFBDMM C[C@H]1COC[C@@H]1Oc1cc([O-])cc2oc3ccc(O)cc3c(=O)c12 ZINC001234743184 1313188344 /nfs/dbraw/zinc/18/83/44/1313188344.db2.gz AMGCRGXRXUAKNY-FVMDXXJSSA-N -1 1 328.320 2.771 20 5 EFBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(OC[C@@H]3CCCO3)c12 ZINC001234741006 1313188360 /nfs/dbraw/zinc/18/83/60/1313188360.db2.gz DHMIZYFUSRSGHG-NSHDSACASA-N -1 1 328.320 2.915 20 5 EFBDMM CC[C@@H](Oc1cc([O-])cc2oc3ccc(O)cc3c(=O)c12)C(=O)OC ZINC001234749392 1313188717 /nfs/dbraw/zinc/18/87/17/1313188717.db2.gz ZTKUQJXCBAVILZ-GFCCVEGCSA-N -1 1 344.319 2.688 20 5 EFBDMM COC(=O)C[C@@H](C)Oc1cc([O-])cc2oc3c(O)cccc3c(=O)c12 ZINC001234746972 1313188736 /nfs/dbraw/zinc/18/87/36/1313188736.db2.gz HCZZJQAAERZXFG-SECBINFHSA-N -1 1 344.319 2.688 20 5 EFBDMM COc1c(O)ccc2c(=O)c3c(O[C@@H](C)C(C)=O)cc([O-])cc3oc21 ZINC001234749545 1313188782 /nfs/dbraw/zinc/18/87/82/1313188782.db2.gz QDLXQDKSELCDDW-VIFPVBQESA-N -1 1 344.319 2.722 20 5 EFBDMM COc1c(O)ccc2c(=O)c3c(OC[C@@H](C)OC)cc([O-])cc3oc21 ZINC001234750349 1313188955 /nfs/dbraw/zinc/18/89/55/1313188955.db2.gz YKFCONDUNOWMIW-SECBINFHSA-N -1 1 346.335 2.780 20 5 EFBDMM O=c1c2ccc(O)c(OC[C@H]3CCCO3)c2oc2cc([O-])cc(O)c12 ZINC001234751039 1313189006 /nfs/dbraw/zinc/18/90/06/1313189006.db2.gz ROQMQTBSLZFDHP-SNVBAGLBSA-N -1 1 344.319 2.621 20 5 EFBDMM O=[N+]([O-])c1cc(Br)cc([O-])c1O[C@@H]1CCOC[C@H]1F ZINC001234875844 1313201913 /nfs/dbraw/zinc/20/19/13/1313201913.db2.gz WAJZGMSGZWYUCA-GMSGAONNSA-N -1 1 336.113 2.569 20 5 EFBDMM Cc1cccc(-c2noc(-c3n[n-]c(C(F)(F)F)c3[N+](=O)[O-])n2)n1 ZINC001212972725 1297307767 /nfs/dbraw/zinc/30/77/67/1297307767.db2.gz HAIVSKVHEXRTIB-UHFFFAOYSA-N -1 1 340.221 2.757 20 5 EFBDMM Cc1cccnc1-c1noc(-c2n[n-]c(C(F)(F)F)c2[N+](=O)[O-])n1 ZINC001212973172 1297333388 /nfs/dbraw/zinc/33/33/88/1297333388.db2.gz UDDXSXPSNYJCGU-UHFFFAOYSA-N -1 1 340.221 2.757 20 5 EFBDMM Cc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1F ZINC000194338139 1298539280 /nfs/dbraw/zinc/53/92/80/1298539280.db2.gz FFSRUZSWXIETEC-UHFFFAOYSA-N -1 1 342.323 2.660 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC1=CCCC1 ZINC000851826331 1299420948 /nfs/dbraw/zinc/42/09/48/1299420948.db2.gz IPUYXZGCUVORIS-UHFFFAOYSA-N -1 1 334.756 2.776 20 5 EFBDMM Cc1cccc(N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000853986261 1300376396 /nfs/dbraw/zinc/37/63/96/1300376396.db2.gz AMYHOVFVOORTGZ-KOLCDFICSA-N -1 1 345.321 2.797 20 5 EFBDMM Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000853986366 1300377255 /nfs/dbraw/zinc/37/72/55/1300377255.db2.gz GDQGHDGWYQOMBE-KOLCDFICSA-N -1 1 345.321 2.797 20 5 EFBDMM CC(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000116701674 1314221912 /nfs/dbraw/zinc/22/19/12/1314221912.db2.gz URKBZIZQGKYFSL-UHFFFAOYSA-N -1 1 327.189 2.978 20 5 EFBDMM COc1ncc(Nc2ncc(Br)cc2[O-])cc1[N+](=O)[O-] ZINC001210135414 1314286019 /nfs/dbraw/zinc/28/60/19/1314286019.db2.gz SDAPQCFWDVRMNW-UHFFFAOYSA-N -1 1 341.121 2.605 20 5 EFBDMM O=c1[nH]cc(Br)cc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210392666 1314325352 /nfs/dbraw/zinc/32/53/52/1314325352.db2.gz GZAPRAIDDSHZBZ-UHFFFAOYSA-N -1 1 326.106 2.907 20 5 EFBDMM Cc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)n(Cc2ccncc2)n1 ZINC001210393659 1314325605 /nfs/dbraw/zinc/32/56/05/1314325605.db2.gz XKKAGOIWMLTYFD-UHFFFAOYSA-N -1 1 325.328 2.992 20 5 EFBDMM Cc1cnn(CC2CCOCC2)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210396231 1314325722 /nfs/dbraw/zinc/32/57/22/1314325722.db2.gz OOMAKFNIIHEOII-UHFFFAOYSA-N -1 1 332.360 2.976 20 5 EFBDMM O=C([O-])C1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000901481557 1310551440 /nfs/dbraw/zinc/55/14/40/1310551440.db2.gz WDUWTKJBFCUOHT-UHFFFAOYSA-N -1 1 332.278 2.910 20 5 EFBDMM C[C@@H](CN(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000901596160 1310725776 /nfs/dbraw/zinc/72/57/76/1310725776.db2.gz FIYNEMPVOQIYMQ-JTQLQIEISA-N -1 1 335.385 2.871 20 5 EFBDMM CCOc1ccccc1OCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780066612 1310910512 /nfs/dbraw/zinc/91/05/12/1310910512.db2.gz AGCBRUSFAHLLBO-UHFFFAOYSA-N -1 1 347.323 2.935 20 5 EFBDMM CCc1ccc(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000780070093 1311035314 /nfs/dbraw/zinc/03/53/14/1311035314.db2.gz UGSLONYBMGSJBO-UHFFFAOYSA-N -1 1 329.308 2.903 20 5 EFBDMM O=C(OCCc1ccc2c(c1)CCO2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071084 1311052048 /nfs/dbraw/zinc/05/20/48/1311052048.db2.gz CBSZEGKQOBJXQJ-UHFFFAOYSA-N -1 1 329.308 2.635 20 5 EFBDMM COc1cc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000780072836 1311054053 /nfs/dbraw/zinc/05/40/53/1311054053.db2.gz UZXXFOUHGPFZFQ-UHFFFAOYSA-N -1 1 348.267 2.574 20 5 EFBDMM O=C(OCc1cc(-c2ccco2)on1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071948 1311079006 /nfs/dbraw/zinc/07/90/06/1311079006.db2.gz MMNYUFHVIXCMDE-UHFFFAOYSA-N -1 1 330.252 2.905 20 5 EFBDMM COC(=O)c1ccc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(F)c1 ZINC000780074318 1311152407 /nfs/dbraw/zinc/15/24/07/1311152407.db2.gz ILMTVBSQAPTQHB-UHFFFAOYSA-N -1 1 349.270 2.583 20 5 EFBDMM O=C(OCc1ccccc1)[C@H]1C[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225663863 1311561870 /nfs/dbraw/zinc/56/18/70/1311561870.db2.gz HVUUOAGJCLCUEB-BETUJISGSA-N -1 1 344.323 2.596 20 5 EFBDMM C[C@@H](Oc1[n-]c(=O)ncc1Br)c1ccccc1[N+](=O)[O-] ZINC001227138222 1311767316 /nfs/dbraw/zinc/76/73/16/1311767316.db2.gz OVDOUHDMHNYREE-SSDOTTSWSA-N -1 1 340.133 2.993 20 5 EFBDMM O=c1c2cc(O[C@@H]3CCOC[C@@H]3F)c([O-])cc2oc2cccc(O)c12 ZINC001227310148 1311791966 /nfs/dbraw/zinc/79/19/66/1311791966.db2.gz TXRGKJHLHRZTOG-GXFFZTMASA-N -1 1 346.310 2.863 20 5 EFBDMM CC[C@@H](Oc1cc2c(cc1[O-])oc1cccc(O)c1c2=O)C(=O)OC ZINC001227309518 1311792200 /nfs/dbraw/zinc/79/22/00/1311792200.db2.gz MTTQTLASFYXXAK-GFCCVEGCSA-N -1 1 344.319 2.688 20 5 EFBDMM Cc1ccc(C(=O)c2cc([O-])c(OC3CN(C)C3)c([N+](=O)[O-])c2)cc1 ZINC001227700525 1311841504 /nfs/dbraw/zinc/84/15/04/1311841504.db2.gz WILPGKMJRVANGO-UHFFFAOYSA-N -1 1 342.351 2.533 20 5 EFBDMM O=c1[n-]cnc(O[C@H]2CC=C[C@@H]2COCc2ccccc2)c1[N+](=O)[O-] ZINC001228143308 1311906571 /nfs/dbraw/zinc/90/65/71/1311906571.db2.gz KIIRFDVKBHNVGV-KGLIPLIRSA-N -1 1 343.339 2.631 20 5 EFBDMM O=[N+]([O-])c1ccc([C@H](Oc2cnnc(=S)[n-]2)C(F)(F)F)cc1 ZINC001228636235 1311973312 /nfs/dbraw/zinc/97/33/12/1311973312.db2.gz IVXFZUMMAXAYOW-VIFPVBQESA-N -1 1 332.263 2.751 20 5 EFBDMM COC(=O)c1ccc([C@@H](C)Oc2nc(C)cc([O-])c2[N+](=O)[O-])cc1 ZINC001231259241 1312465958 /nfs/dbraw/zinc/46/59/58/1312465958.db2.gz IEPGCLAJMBOMHM-SNVBAGLBSA-N -1 1 332.312 2.930 20 5 EFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)C(=O)OCc2ccccc2)n1 ZINC001231262390 1312466207 /nfs/dbraw/zinc/46/62/07/1312466207.db2.gz FYVMBYXYZDZQBT-NSHDSACASA-N -1 1 332.312 2.515 20 5 EFBDMM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000119345007 1314618765 /nfs/dbraw/zinc/61/87/65/1314618765.db2.gz IOCGLBIUGXWQAL-SSDOTTSWSA-N -1 1 348.352 2.974 20 5 EFBDMM COCOc1ccc2nc(-c3cc(OC)c([O-])c([N+](=O)[O-])c3)[nH]c2c1 ZINC001250875045 1315285203 /nfs/dbraw/zinc/28/52/03/1315285203.db2.gz WPEMIVDWHKAHEB-UHFFFAOYSA-N -1 1 345.311 2.835 20 5 EFBDMM O=c1cc(CN2Cc3ccc([N+](=O)[O-])cc3C2)c2ccc([O-])cc2o1 ZINC001319328901 1328852935 /nfs/dbraw/zinc/85/29/35/1328852935.db2.gz RAEAXVVAIFULRC-UHFFFAOYSA-N -1 1 338.319 2.923 20 5 EFBDMM CC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001320043090 1329063402 /nfs/dbraw/zinc/06/34/02/1329063402.db2.gz HXUMBRABEZXEJV-LBPRGKRZSA-N -1 1 339.348 2.559 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2C=CCCC2)cc1Cl ZINC001324096835 1329599377 /nfs/dbraw/zinc/59/93/77/1329599377.db2.gz OTZXEKFVSKOFJE-QMMMGPOBSA-N -1 1 334.756 2.774 20 5 EFBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000849463469 1335624111 /nfs/dbraw/zinc/62/41/11/1335624111.db2.gz HEBWVAUDBDOXKA-JTQLQIEISA-N -1 1 336.772 2.854 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(Oc2ccc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC000826498147 1426016445 /nfs/dbraw/zinc/01/64/45/1426016445.db2.gz IWIRAEKPYODZGR-UHFFFAOYSA-N -1 1 337.217 2.985 20 5 EFBDMM C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736162204 1426173783 /nfs/dbraw/zinc/17/37/83/1426173783.db2.gz IAAXNUZJJINNEY-SNVBAGLBSA-N -1 1 339.311 2.693 20 5 EFBDMM O=[N+]([O-])c1ccccc1CN(Cc1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC000826500136 1428409552 /nfs/dbraw/zinc/40/95/52/1428409552.db2.gz MJQGNOBHUZZLSM-UHFFFAOYSA-N -1 1 340.343 2.533 20 5 EFBDMM Cc1cc(Sc2ccc(-c3nnn[n-]3)cc2F)ncc1[N+](=O)[O-] ZINC000822212714 1428617618 /nfs/dbraw/zinc/61/76/18/1428617618.db2.gz DRZIKEKFMSKIPL-UHFFFAOYSA-N -1 1 332.320 2.769 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000822271113 1428785134 /nfs/dbraw/zinc/78/51/34/1428785134.db2.gz MXTJCHRITBFTHL-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM CC(C)(C)[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000824077419 1428985382 /nfs/dbraw/zinc/98/53/82/1428985382.db2.gz BDVZZSWGWLXJAM-IINYFYTJSA-N -1 1 346.391 2.781 20 5 EFBDMM O=[N+]([O-])c1cccc(F)c1COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000738369707 1423443837 /nfs/dbraw/zinc/44/38/37/1423443837.db2.gz MGRVHFXBEMDGAI-UHFFFAOYSA-N -1 1 333.254 2.632 20 5 EFBDMM C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccccc1[N+](=O)[O-] ZINC000824656233 1423595859 /nfs/dbraw/zinc/59/58/59/1423595859.db2.gz JJZQRKIOOVGXGF-QMMMGPOBSA-N -1 1 345.750 2.996 20 5 EFBDMM Cc1cc([N+](=O)[O-])ccc1OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826272494 1429687531 /nfs/dbraw/zinc/68/75/31/1429687531.db2.gz MHEVKDVSGGCETD-UHFFFAOYSA-N -1 1 341.327 2.541 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(OCc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC000822270902 1424218567 /nfs/dbraw/zinc/21/85/67/1424218567.db2.gz CBAOCKTULCRONW-UHFFFAOYSA-N -1 1 329.291 2.801 20 5 EFBDMM Cc1cc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ncc1[N+](=O)[O-] ZINC000822209454 1424500130 /nfs/dbraw/zinc/50/01/30/1424500130.db2.gz JOFGRSLNSQQNRA-SNVBAGLBSA-N -1 1 325.332 2.651 20 5 EFBDMM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000123619869 1424664950 /nfs/dbraw/zinc/66/49/50/1424664950.db2.gz TVHMQCOKNREZBK-UHFFFAOYSA-N -1 1 344.718 2.681 20 5 EFBDMM O=[N+]([O-])c1ccc2nc(NCCCC3CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823645972 1424667153 /nfs/dbraw/zinc/66/71/53/1424667153.db2.gz YKRPQAHRXZJXKM-UHFFFAOYSA-N -1 1 339.359 2.925 20 5 EFBDMM Cc1cc([C@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1F ZINC000822191148 1425012775 /nfs/dbraw/zinc/01/27/75/1425012775.db2.gz GJUBEEZZYXFJQC-VIFPVBQESA-N -1 1 343.322 2.791 20 5 EFBDMM O=C(C[C@@H]1C=CCC1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826403847 1425249150 /nfs/dbraw/zinc/24/91/50/1425249150.db2.gz FWQZIQPEHQTWHQ-MRVPVSSYSA-N -1 1 348.750 2.723 20 5 EFBDMM CCS[C@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821456659 1425369115 /nfs/dbraw/zinc/36/91/15/1425369115.db2.gz RNZKMWYKLRHWAS-OLZOCXBDSA-N -1 1 334.405 2.861 20 5 EFBDMM CCCCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736452458 1425513009 /nfs/dbraw/zinc/51/30/09/1425513009.db2.gz YPKYLYOOXKTMTL-UHFFFAOYSA-N -1 1 327.348 2.925 20 5 EFBDMM C[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000820451076 1425604505 /nfs/dbraw/zinc/60/45/05/1425604505.db2.gz SKXYJXTVZYDNLI-MRVPVSSYSA-N -1 1 325.332 2.534 20 5 EFBDMM O=[N+]([O-])c1ccc(CCNc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000738361279 1425974970 /nfs/dbraw/zinc/97/49/70/1425974970.db2.gz XDGHMVHYMOBPTB-UHFFFAOYSA-N -1 1 328.307 2.569 20 5 EFBDMM COc1cc(-c2nnn[n-]2)ccc1COc1ccc([N+](=O)[O-])c(F)c1 ZINC000826173301 1426097018 /nfs/dbraw/zinc/09/70/18/1426097018.db2.gz WSKABJIDHWMNGB-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM Cc1cc(C)c([N+](=O)[O-])c(OCc2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000826263885 1426530669 /nfs/dbraw/zinc/53/06/69/1426530669.db2.gz UMVBGOTWYVLZPJ-UHFFFAOYSA-N -1 1 344.306 2.505 20 5 EFBDMM O=[N+]([O-])c1ccc(SCc2ccc(F)cc2-c2nn[n-]n2)nc1 ZINC000823643786 1426570922 /nfs/dbraw/zinc/57/09/22/1426570922.db2.gz ATIIHJFPFGNKHZ-UHFFFAOYSA-N -1 1 332.320 2.601 20 5 EFBDMM CCOCCC1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCC1 ZINC000821373026 1426788686 /nfs/dbraw/zinc/78/86/86/1426788686.db2.gz BKSMSYNECRZSKX-UHFFFAOYSA-N -1 1 346.391 2.784 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(NCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000826498232 1426795383 /nfs/dbraw/zinc/79/53/83/1426795383.db2.gz MGJNFWJOOKAKAV-UHFFFAOYSA-N -1 1 332.270 2.665 20 5 EFBDMM Cc1cc(C)c([N+](=O)[O-])c(OCc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000826263583 1426857090 /nfs/dbraw/zinc/85/70/90/1426857090.db2.gz IGFVCDBPRPNEOZ-UHFFFAOYSA-N -1 1 344.306 2.505 20 5 EFBDMM COc1cc([N+](=O)[O-])ccc1OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821728391 1426933040 /nfs/dbraw/zinc/93/30/40/1426933040.db2.gz VPLDTBUCEKKQPN-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2Cl)ncc1[N+](=O)[O-] ZINC000822211865 1426987962 /nfs/dbraw/zinc/98/79/62/1426987962.db2.gz RKSQCBRUJUVYIJ-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824627517 1427301962 /nfs/dbraw/zinc/30/19/62/1427301962.db2.gz YCMZZIUBDFICDN-JTQLQIEISA-N -1 1 342.334 2.765 20 5 EFBDMM C[C@@H]1C[C@H]2CCCC[C@H]2N1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736235561 1427333323 /nfs/dbraw/zinc/33/33/23/1427333323.db2.gz GHQNYWPKYHCGMY-NQBHXWOUSA-N -1 1 328.376 2.932 20 5 EFBDMM CC[C@H](c1ccncc1)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736395824 1427367615 /nfs/dbraw/zinc/36/76/15/1427367615.db2.gz IYSKKSOFPUAJRJ-CQSZACIVSA-N -1 1 339.359 2.757 20 5 EFBDMM COc1cc(-c2nnn[n-]2)ccc1COc1ccc([N+](=O)[O-])cc1C ZINC000826173011 1427498206 /nfs/dbraw/zinc/49/82/06/1427498206.db2.gz IVRYYHIEGTWXCH-UHFFFAOYSA-N -1 1 341.327 2.671 20 5 EFBDMM O=[N+]([O-])c1cnc(Sc2cccc(Cl)c2)c(-c2nnn[n-]2)c1 ZINC000738373875 1427523444 /nfs/dbraw/zinc/52/34/44/1427523444.db2.gz JDIVGSLKYUBFCS-UHFFFAOYSA-N -1 1 334.748 2.975 20 5 EFBDMM COc1ccc(COc2cc(F)ccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826207646 1427873148 /nfs/dbraw/zinc/87/31/48/1427873148.db2.gz WRPOIDKPANDQGU-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM Cc1c(OCc2cc(F)ccc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000822130530 1427912758 /nfs/dbraw/zinc/91/27/58/1427912758.db2.gz UYGFUINQJWZGFI-UHFFFAOYSA-N -1 1 329.291 2.801 20 5 EFBDMM CC(C)(C)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819913915 1428039690 /nfs/dbraw/zinc/03/96/90/1428039690.db2.gz HHQBHKVAWWPJKH-UHFFFAOYSA-N -1 1 327.348 2.781 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1cccc2c1CCCC2 ZINC000823630124 1428143169 /nfs/dbraw/zinc/14/31/69/1428143169.db2.gz SGCNYHOAKHHMCU-UHFFFAOYSA-N -1 1 338.327 2.841 20 5 EFBDMM O=[N+]([O-])c1ccc(OCCSc2ccccc2-c2nnn[n-]2)cc1 ZINC000823644659 1441440131 /nfs/dbraw/zinc/44/01/31/1441440131.db2.gz JYQDFBUKXGCEMA-UHFFFAOYSA-N -1 1 343.368 2.946 20 5 EFBDMM C[C@@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000820275022 1441748259 /nfs/dbraw/zinc/74/82/59/1441748259.db2.gz MOTYTEKHZHCSQV-VIFPVBQESA-N -1 1 339.359 2.781 20 5 EFBDMM C[C@@H]1[C@@H](C)CCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820727085 1441827939 /nfs/dbraw/zinc/82/79/39/1441827939.db2.gz GLZXTPKYZAZYBT-VHSXEESVSA-N -1 1 339.359 2.558 20 5 EFBDMM C[C@@H](NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000820428610 1441835658 /nfs/dbraw/zinc/83/56/58/1441835658.db2.gz YIIJFFCOXSUISB-SNVBAGLBSA-N -1 1 342.334 2.765 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737114109 1441930006 /nfs/dbraw/zinc/93/00/06/1441930006.db2.gz DLZSBIHJCKMTTN-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM Cc1ccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(Cl)c1 ZINC000822267518 1442070955 /nfs/dbraw/zinc/07/09/55/1442070955.db2.gz YHCSJGNMDPADBE-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM Cc1cccc(OCc2cc(F)ccc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000826300271 1442071564 /nfs/dbraw/zinc/07/15/64/1442071564.db2.gz OAYQYHKAKSWVMC-UHFFFAOYSA-N -1 1 329.291 2.801 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000823620952 1442262347 /nfs/dbraw/zinc/26/23/47/1442262347.db2.gz UOBVRKLJSXQLLX-VXGBXAGGSA-N -1 1 329.364 2.551 20 5 EFBDMM CN(CCc1cccs1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821607452 1442367859 /nfs/dbraw/zinc/36/78/59/1442367859.db2.gz PBGLRJHDIREAIH-UHFFFAOYSA-N -1 1 330.373 2.515 20 5 EFBDMM C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000820461806 1442443900 /nfs/dbraw/zinc/44/39/00/1442443900.db2.gz RAHMOMJJCFLCTD-SSDOTTSWSA-N -1 1 347.285 2.621 20 5 EFBDMM CCc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000736692853 1443067764 /nfs/dbraw/zinc/06/77/64/1443067764.db2.gz ZKOCKTMMYNBDPV-UHFFFAOYSA-N -1 1 339.311 2.557 20 5 EFBDMM Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826264035 1443370959 /nfs/dbraw/zinc/37/09/59/1443370959.db2.gz ZXUCCHWQNYNODV-NSHDSACASA-N -1 1 339.359 2.960 20 5 EFBDMM COCC[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccco1 ZINC000826155281 1443410650 /nfs/dbraw/zinc/41/06/50/1443410650.db2.gz LHYZLEURTQUPQU-GFCCVEGCSA-N -1 1 344.331 2.558 20 5 EFBDMM Cc1ccc(CNCc2cc(-c3nnn[n-]3)ccc2F)cc1[N+](=O)[O-] ZINC000822238575 1443448647 /nfs/dbraw/zinc/44/86/47/1443448647.db2.gz MNUAEIOALBXYON-UHFFFAOYSA-N -1 1 342.334 2.512 20 5 EFBDMM COc1cc(-c2nnn[n-]2)ccc1CNc1cc([N+](=O)[O-])ccc1F ZINC000826170972 1443617400 /nfs/dbraw/zinc/61/74/00/1443617400.db2.gz XEVFCBFYQNIMOT-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM CC(C)(C)C1=CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000824072480 1443671438 /nfs/dbraw/zinc/67/14/38/1443671438.db2.gz VZUCKVMGRMYFFH-UHFFFAOYSA-N -1 1 328.376 2.958 20 5 EFBDMM Cc1ccc([C@@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000737321700 1443924375 /nfs/dbraw/zinc/92/43/75/1443924375.db2.gz VIVNWIKALKXBEI-NSHDSACASA-N -1 1 339.359 2.694 20 5 EFBDMM CCC[C@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736422504 1446486359 /nfs/dbraw/zinc/48/63/59/1446486359.db2.gz IMXDYPAHEPNRLV-VIFPVBQESA-N -1 1 327.348 2.924 20 5 EFBDMM COc1ccc(-c2nnn[n-]2)cc1COc1cc(F)cc([N+](=O)[O-])c1 ZINC000821749508 1446569652 /nfs/dbraw/zinc/56/96/52/1446569652.db2.gz PQUWTMWFRLZQCL-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM C[C@@]1(c2ccccc2)C[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820633395 1446853537 /nfs/dbraw/zinc/85/35/37/1446853537.db2.gz AYWSTQZWMRGNHY-WBVHZDCISA-N -1 1 336.355 2.917 20 5 EFBDMM COc1cc(COc2ccc(-c3nnn[n-]3)c(F)c2)ccc1[N+](=O)[O-] ZINC000826179994 1447059764 /nfs/dbraw/zinc/05/97/64/1447059764.db2.gz ODJRFAYIIVLYPT-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CCS[C@H]3CCCC[C@@H]32)c(-c2nnn[n-]2)c1 ZINC000823639917 1447135663 /nfs/dbraw/zinc/13/56/63/1447135663.db2.gz LXFLJASRCFWMLM-KBPBESRZSA-N -1 1 346.416 2.639 20 5 EFBDMM O=[N+]([O-])c1ccc(CNCc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000826498375 1447326206 /nfs/dbraw/zinc/32/62/06/1447326206.db2.gz SANMHQXUILYVEB-UHFFFAOYSA-N -1 1 344.762 2.718 20 5 EFBDMM CCC[C@H](C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825234255 1449121359 /nfs/dbraw/zinc/12/13/59/1449121359.db2.gz XXFPTXABAKUDGG-ZETCQYMHSA-N -1 1 338.755 2.803 20 5 EFBDMM COc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c(C)c1 ZINC000821821532 1449453808 /nfs/dbraw/zinc/45/38/08/1449453808.db2.gz JSYXKERDEIOKHS-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM Cc1nc(Sc2ccc(-c3nnn[n-]3)cc2F)ccc1[N+](=O)[O-] ZINC000822452884 1449704699 /nfs/dbraw/zinc/70/46/99/1449704699.db2.gz BVDXTCCLOKHRSG-UHFFFAOYSA-N -1 1 332.320 2.769 20 5 EFBDMM Cc1ccc([C@@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(C)c1 ZINC000822228630 1449745312 /nfs/dbraw/zinc/74/53/12/1449745312.db2.gz AVDCLLJQEAZNFC-LLVKDONJSA-N -1 1 339.359 2.960 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000826212503 1449822049 /nfs/dbraw/zinc/82/20/49/1449822049.db2.gz SVSZJEXBWSJXIJ-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM Cc1cc(-c2nnn[n-]2)cc(C)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000737220531 1449951723 /nfs/dbraw/zinc/95/17/23/1449951723.db2.gz BPEDHTOACAFCMS-UHFFFAOYSA-N -1 1 325.328 2.971 20 5 EFBDMM O=[N+]([O-])c1cnc(Oc2ccc(F)c(Cl)c2)c(-c2nnn[n-]2)c1 ZINC000823650771 1450270587 /nfs/dbraw/zinc/27/05/87/1450270587.db2.gz AEAMCDAIURZWIH-UHFFFAOYSA-N -1 1 336.670 2.755 20 5 EFBDMM CCn1cc(S(=O)(=O)[N-]CCCCCCC(C)C)c([N+](=O)[O-])n1 ZINC000754792692 726950430 /nfs/dbraw/zinc/95/04/30/726950430.db2.gz QAOXJPJABTWCDF-UHFFFAOYSA-N -1 1 346.453 2.696 20 5 EFBDMM C[C@@H](Cc1ccccc1Cl)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000915650608 727109915 /nfs/dbraw/zinc/10/99/15/727109915.db2.gz NZLUCDDCBSVAPA-VIFPVBQESA-N -1 1 335.747 2.710 20 5 EFBDMM Cc1cc(S(=O)(=O)[N-]c2cccc(O)c2)cc([N+](=O)[O-])c1F ZINC000154287930 727771976 /nfs/dbraw/zinc/77/19/76/727771976.db2.gz ZWFBWLZNUUHLRH-UHFFFAOYSA-N -1 1 326.305 2.549 20 5 EFBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc1Cl ZINC000055572232 727947506 /nfs/dbraw/zinc/94/75/06/727947506.db2.gz KJAGJKVXKLVLPO-UHFFFAOYSA-N -1 1 341.776 2.940 20 5 EFBDMM O=C([O-])[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000923233054 957105021 /nfs/dbraw/zinc/10/50/21/957105021.db2.gz XZYXNIBJZCHDBP-LBPRGKRZSA-N -1 1 343.177 2.796 20 5 EFBDMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001573712744 959859870 /nfs/dbraw/zinc/85/98/70/959859870.db2.gz VIJDHGKYIRPWTC-YPMHNXCESA-N -1 1 345.355 2.935 20 5 EFBDMM O=C([O-])[C@@H](CC(F)(F)F)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000901777351 980507347 /nfs/dbraw/zinc/50/73/47/980507347.db2.gz AXOGEHGUOJCHKJ-SECBINFHSA-N -1 1 326.658 2.743 20 5 EFBDMM C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1C(=O)[O-] ZINC000923247426 982852891 /nfs/dbraw/zinc/85/28/91/982852891.db2.gz FHKHJGKQVVRCOZ-LDYMZIIASA-N -1 1 343.177 2.510 20 5 EFBDMM C[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1C(=O)[O-] ZINC001599929838 985291660 /nfs/dbraw/zinc/29/16/60/985291660.db2.gz BBIHAIKCGGVVDK-XHDPSFHLSA-N -1 1 345.355 2.792 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1CN[C@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC001599622588 994104797 /nfs/dbraw/zinc/10/47/97/994104797.db2.gz UXBDAQKEPWYTLT-KRWDZBQOSA-N -1 1 348.330 2.832 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1CN[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001599622676 994105987 /nfs/dbraw/zinc/10/59/87/994105987.db2.gz YPMPAEWRIGFGGB-QGZVFWFLSA-N -1 1 330.340 2.693 20 5 EFBDMM C[C@@H](NCC(=O)Nc1cccc(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC001593236803 994408939 /nfs/dbraw/zinc/40/89/39/994408939.db2.gz JNXFRGXYTJOEAN-LLVKDONJSA-N -1 1 343.339 2.582 20 5 EFBDMM C[C@H](NCC(=O)Nc1ccsc1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593237637 994414396 /nfs/dbraw/zinc/41/43/96/994414396.db2.gz RYAUOEKXMLHTCR-VIFPVBQESA-N -1 1 349.368 2.644 20 5 EFBDMM C[C@H]1Cc2ccccc2CN1c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001576386956 1089172496 /nfs/dbraw/zinc/17/24/96/1089172496.db2.gz XAERCVNMIOMGTG-VIFPVBQESA-N -1 1 342.384 2.788 20 5 EFBDMM C[C@H]1Cc2ccccc2CN1c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001576386956 1089172502 /nfs/dbraw/zinc/17/25/02/1089172502.db2.gz XAERCVNMIOMGTG-VIFPVBQESA-N -1 1 342.384 2.788 20 5 EFBDMM Cc1cccc2c1CCN2c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001581247199 1091105626 /nfs/dbraw/zinc/10/56/26/1091105626.db2.gz AOZICQIMBNPBSW-UHFFFAOYSA-N -1 1 328.357 2.839 20 5 EFBDMM Cc1cccc2c1CCN2c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001581247199 1091105629 /nfs/dbraw/zinc/10/56/29/1091105629.db2.gz AOZICQIMBNPBSW-UHFFFAOYSA-N -1 1 328.357 2.839 20 5 EFBDMM O=[N+]([O-])c1c(NC[C@H]2CCc3ccccc32)cccc1-c1nnn[n-]1 ZINC001582801605 1091667414 /nfs/dbraw/zinc/66/74/14/1091667414.db2.gz BECLKCKVPARFAF-GFCCVEGCSA-N -1 1 336.355 2.917 20 5 EFBDMM O=[N+]([O-])c1c(NC[C@H]2CCc3ccccc32)cccc1-c1nn[n-]n1 ZINC001582801605 1091667419 /nfs/dbraw/zinc/66/74/19/1091667419.db2.gz BECLKCKVPARFAF-GFCCVEGCSA-N -1 1 336.355 2.917 20 5 EFBDMM CC(C)(CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1cccnc1 ZINC001589288544 1093064806 /nfs/dbraw/zinc/06/48/06/1093064806.db2.gz OOHKQJFGUYGPJW-UHFFFAOYSA-N -1 1 345.388 2.621 20 5 EFBDMM CC(C)(CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1cccnc1 ZINC001589288544 1093064814 /nfs/dbraw/zinc/06/48/14/1093064814.db2.gz OOHKQJFGUYGPJW-UHFFFAOYSA-N -1 1 345.388 2.621 20 5 EFBDMM CC(C)[C@H]1N(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC12CCC2 ZINC001589519780 1093101683 /nfs/dbraw/zinc/10/16/83/1093101683.db2.gz MHRLRRLZHPXKLF-LLVKDONJSA-N -1 1 334.405 2.851 20 5 EFBDMM CC(C)[C@H]1N(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC12CCC2 ZINC001589519780 1093101689 /nfs/dbraw/zinc/10/16/89/1093101689.db2.gz MHRLRRLZHPXKLF-LLVKDONJSA-N -1 1 334.405 2.851 20 5 EFBDMM C[C@@H](CCc1ccco1)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589836764 1093158732 /nfs/dbraw/zinc/15/87/32/1093158732.db2.gz RCSVPWFZNFICDG-JTQLQIEISA-N -1 1 328.332 2.801 20 5 EFBDMM C[C@@H](CCc1ccco1)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589836764 1093158740 /nfs/dbraw/zinc/15/87/40/1093158740.db2.gz RCSVPWFZNFICDG-JTQLQIEISA-N -1 1 328.332 2.801 20 5 EFBDMM C[C@H](CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)CC(F)(F)F ZINC001589876579 1093162130 /nfs/dbraw/zinc/16/21/30/1093162130.db2.gz GNLRJNIPOCWXGN-ZETCQYMHSA-N -1 1 330.270 2.775 20 5 EFBDMM CC1(C)C[C@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCS1 ZINC001590083843 1093255435 /nfs/dbraw/zinc/25/54/35/1093255435.db2.gz LBRJDLNMQUMCOH-SNVBAGLBSA-N -1 1 334.405 2.861 20 5 EFBDMM CC1(C)C[C@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCS1 ZINC001590083843 1093255439 /nfs/dbraw/zinc/25/54/39/1093255439.db2.gz LBRJDLNMQUMCOH-SNVBAGLBSA-N -1 1 334.405 2.861 20 5 EFBDMM CC1(C)CC2(CC(Nc3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)C2)CO1 ZINC001590088175 1093259873 /nfs/dbraw/zinc/25/98/73/1093259873.db2.gz SLZIYNPSDHWWQW-UHFFFAOYSA-N -1 1 344.375 2.535 20 5 EFBDMM CC1(C)CC2(CC(Nc3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)C2)CO1 ZINC001590088175 1093259881 /nfs/dbraw/zinc/25/98/81/1093259881.db2.gz SLZIYNPSDHWWQW-UHFFFAOYSA-N -1 1 344.375 2.535 20 5 EFBDMM C[C@]1(c2ccccc2)C[C@@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590151930 1093284233 /nfs/dbraw/zinc/28/42/33/1093284233.db2.gz MDFMPQICKZULQG-SWLSCSKDSA-N -1 1 342.384 2.979 20 5 EFBDMM C[C@]1(c2ccccc2)C[C@@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590151930 1093284238 /nfs/dbraw/zinc/28/42/38/1093284238.db2.gz MDFMPQICKZULQG-SWLSCSKDSA-N -1 1 342.384 2.979 20 5 EFBDMM C[C@@]1(c2ccccc2)C[C@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590151928 1093284372 /nfs/dbraw/zinc/28/43/72/1093284372.db2.gz MDFMPQICKZULQG-DOMZBBRYSA-N -1 1 342.384 2.979 20 5 EFBDMM C[C@@]1(c2ccccc2)C[C@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590151928 1093284381 /nfs/dbraw/zinc/28/43/81/1093284381.db2.gz MDFMPQICKZULQG-DOMZBBRYSA-N -1 1 342.384 2.979 20 5 EFBDMM C[C@H]1CC(Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@H](C)C1 ZINC001590189264 1093298199 /nfs/dbraw/zinc/29/81/99/1093298199.db2.gz VNFOSCNCZYEEAY-RKDXNWHRSA-N -1 1 331.380 2.594 20 5 EFBDMM C[C@H]1CC(Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@H](C)C1 ZINC001590189264 1093298204 /nfs/dbraw/zinc/29/82/04/1093298204.db2.gz VNFOSCNCZYEEAY-RKDXNWHRSA-N -1 1 331.380 2.594 20 5 EFBDMM C[C@@H]1CCC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)[C@H]1C ZINC001590252638 1093339531 /nfs/dbraw/zinc/33/95/31/1093339531.db2.gz LYMGULSWRWAEDX-VYUIOLGVSA-N -1 1 331.380 2.594 20 5 EFBDMM C[C@@H]1CCC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)[C@H]1C ZINC001590252638 1093339539 /nfs/dbraw/zinc/33/95/39/1093339539.db2.gz LYMGULSWRWAEDX-VYUIOLGVSA-N -1 1 331.380 2.594 20 5 EFBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)Cc2ccccc21 ZINC001590313834 1093369683 /nfs/dbraw/zinc/36/96/83/1093369683.db2.gz FZOIOZNKFLCLCA-LLVKDONJSA-N -1 1 336.355 2.899 20 5 EFBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)Cc2ccccc21 ZINC001590313834 1093369689 /nfs/dbraw/zinc/36/96/89/1093369689.db2.gz FZOIOZNKFLCLCA-LLVKDONJSA-N -1 1 336.355 2.899 20 5 EFBDMM C[C@H]1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC001590311348 1093370596 /nfs/dbraw/zinc/37/05/96/1093370596.db2.gz CXMYBFWFGALEGR-BQBZGAKWSA-N -1 1 344.347 2.564 20 5 EFBDMM C[C@H]1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC001590311348 1093370608 /nfs/dbraw/zinc/37/06/08/1093370608.db2.gz CXMYBFWFGALEGR-BQBZGAKWSA-N -1 1 344.347 2.564 20 5 EFBDMM C[C@H]1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC001590316713 1093372426 /nfs/dbraw/zinc/37/24/26/1093372426.db2.gz UOCHAZKMNJHTMM-IUCAKERBSA-N -1 1 338.318 2.502 20 5 EFBDMM C[C@H]1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC001590316713 1093372436 /nfs/dbraw/zinc/37/24/36/1093372436.db2.gz UOCHAZKMNJHTMM-IUCAKERBSA-N -1 1 338.318 2.502 20 5 EFBDMM C[C@H]1Cc2ccccc2N1c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590330403 1093377342 /nfs/dbraw/zinc/37/73/42/1093377342.db2.gz CCCIHWGAXKGJKE-QMMMGPOBSA-N -1 1 328.357 2.919 20 5 EFBDMM C[C@H]1Cc2ccccc2N1c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590330403 1093377355 /nfs/dbraw/zinc/37/73/55/1093377355.db2.gz CCCIHWGAXKGJKE-QMMMGPOBSA-N -1 1 328.357 2.919 20 5 EFBDMM C/C=C\C[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001590355930 1093390780 /nfs/dbraw/zinc/39/07/80/1093390780.db2.gz WPINDFWPXQZAOL-ZZKXABKFSA-N -1 1 328.376 2.958 20 5 EFBDMM C/C=C\C[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001590355930 1093390787 /nfs/dbraw/zinc/39/07/87/1093390787.db2.gz WPINDFWPXQZAOL-ZZKXABKFSA-N -1 1 328.376 2.958 20 5 EFBDMM CC[C@@H](C)[C@@H](CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)OC ZINC001590399541 1093403736 /nfs/dbraw/zinc/40/37/36/1093403736.db2.gz JKQVTBKPRPICDF-NOZJJQNGSA-N -1 1 334.380 2.556 20 5 EFBDMM CC[C@@H](C)[C@@H](CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)OC ZINC001590399541 1093403739 /nfs/dbraw/zinc/40/37/39/1093403739.db2.gz JKQVTBKPRPICDF-NOZJJQNGSA-N -1 1 334.380 2.556 20 5 EFBDMM CC[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccncc1 ZINC001590474000 1093446375 /nfs/dbraw/zinc/44/63/75/1093446375.db2.gz VGGHPHLTEGCTCE-ZDUSSCGKSA-N -1 1 325.332 2.733 20 5 EFBDMM CCC1(CC)CCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001590491018 1093451554 /nfs/dbraw/zinc/45/15/54/1093451554.db2.gz LNFSLPFRKAHEPR-UHFFFAOYSA-N -1 1 345.407 2.764 20 5 EFBDMM CCC1(CC)CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001590491018 1093451557 /nfs/dbraw/zinc/45/15/57/1093451557.db2.gz LNFSLPFRKAHEPR-UHFFFAOYSA-N -1 1 345.407 2.764 20 5 EFBDMM CCS[C@@H]1CCC[C@@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590850219 1093597966 /nfs/dbraw/zinc/59/79/66/1093597966.db2.gz HVAQOTHSABFGJE-WCQYABFASA-N -1 1 334.405 2.861 20 5 EFBDMM CN(Cc1ccccc1F)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591149042 1093674331 /nfs/dbraw/zinc/67/43/31/1093674331.db2.gz UGXGMRQEGCNXKN-UHFFFAOYSA-N -1 1 328.307 2.550 20 5 EFBDMM CN(Cc1ccccc1F)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591149042 1093674336 /nfs/dbraw/zinc/67/43/36/1093674336.db2.gz UGXGMRQEGCNXKN-UHFFFAOYSA-N -1 1 328.307 2.550 20 5 EFBDMM CN1CCc2ccc(Nc3cc(-c4nnn[n-]4)sc3[N+](=O)[O-])cc21 ZINC001591196176 1093677867 /nfs/dbraw/zinc/67/78/67/1093677867.db2.gz NGMIFCXPRNZUJU-UHFFFAOYSA-N -1 1 343.372 2.572 20 5 EFBDMM CN1CCc2ccc(Nc3cc(-c4nn[n-]n4)sc3[N+](=O)[O-])cc21 ZINC001591196176 1093677870 /nfs/dbraw/zinc/67/78/70/1093677870.db2.gz NGMIFCXPRNZUJU-UHFFFAOYSA-N -1 1 343.372 2.572 20 5 EFBDMM COCC1(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCCCC1 ZINC001591389203 1093712032 /nfs/dbraw/zinc/71/20/32/1093712032.db2.gz MFMCIRGSMVSOCS-UHFFFAOYSA-N -1 1 346.391 2.784 20 5 EFBDMM COc1cc(C)ccc1CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591520895 1093749108 /nfs/dbraw/zinc/74/91/08/1093749108.db2.gz CAXXBFXFUJIZGU-UHFFFAOYSA-N -1 1 346.372 2.766 20 5 EFBDMM COc1cc(C)ccc1CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591520895 1093749115 /nfs/dbraw/zinc/74/91/15/1093749115.db2.gz CAXXBFXFUJIZGU-UHFFFAOYSA-N -1 1 346.372 2.766 20 5 EFBDMM COc1cccc(Sc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1 ZINC001591642408 1093813783 /nfs/dbraw/zinc/81/37/83/1093813783.db2.gz QDZSETXHUYBILC-UHFFFAOYSA-N -1 1 329.341 2.935 20 5 EFBDMM COc1cccc(Sc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1 ZINC001591642408 1093813788 /nfs/dbraw/zinc/81/37/88/1093813788.db2.gz QDZSETXHUYBILC-UHFFFAOYSA-N -1 1 329.341 2.935 20 5 EFBDMM CS[C@H]1CC[C@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001591691179 1093825939 /nfs/dbraw/zinc/82/59/39/1093825939.db2.gz WOUWADNISRIDQP-BQBZGAKWSA-N -1 1 326.407 2.532 20 5 EFBDMM CS[C@H]1CC[C@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001591691179 1093825947 /nfs/dbraw/zinc/82/59/47/1093825947.db2.gz WOUWADNISRIDQP-BQBZGAKWSA-N -1 1 326.407 2.532 20 5 EFBDMM CS[C@@H]1CC[C@@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001591691185 1093826702 /nfs/dbraw/zinc/82/67/02/1093826702.db2.gz WOUWADNISRIDQP-RNFRBKRXSA-N -1 1 326.407 2.532 20 5 EFBDMM CS[C@@H]1CC[C@@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001591691185 1093826707 /nfs/dbraw/zinc/82/67/07/1093826707.db2.gz WOUWADNISRIDQP-RNFRBKRXSA-N -1 1 326.407 2.532 20 5 EFBDMM CSCCCCCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591699722 1093832515 /nfs/dbraw/zinc/83/25/15/1093832515.db2.gz XSIPKUDNCKAVIR-UHFFFAOYSA-N -1 1 328.423 2.782 20 5 EFBDMM CSCCCCCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591699722 1093832523 /nfs/dbraw/zinc/83/25/23/1093832523.db2.gz XSIPKUDNCKAVIR-UHFFFAOYSA-N -1 1 328.423 2.782 20 5 EFBDMM Cc1cc(N2C[C@@H]3CCCC[C@@H]3C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592010823 1093952479 /nfs/dbraw/zinc/95/24/79/1093952479.db2.gz NEGJWUPPEJMRFT-TXEJJXNPSA-N -1 1 328.376 2.710 20 5 EFBDMM Cc1cc(N2C[C@@H]3CCCC[C@@H]3C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592010823 1093952483 /nfs/dbraw/zinc/95/24/83/1093952483.db2.gz NEGJWUPPEJMRFT-TXEJJXNPSA-N -1 1 328.376 2.710 20 5 EFBDMM Cc1cc(N[C@@H]2CCOC3(CCC3)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592041129 1093964496 /nfs/dbraw/zinc/96/44/96/1093964496.db2.gz YZKPESUUWKNQCX-LLVKDONJSA-N -1 1 344.375 2.597 20 5 EFBDMM Cc1cc(N[C@@H]2CCOC3(CCC3)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592041129 1093964503 /nfs/dbraw/zinc/96/45/03/1093964503.db2.gz YZKPESUUWKNQCX-LLVKDONJSA-N -1 1 344.375 2.597 20 5 EFBDMM Cc1cc(NC[C@H]2CC2(Cl)Cl)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592043476 1093965004 /nfs/dbraw/zinc/96/50/04/1093965004.db2.gz GYXHRYUIYNNFHU-SSDOTTSWSA-N -1 1 343.174 2.689 20 5 EFBDMM Cc1cc(NC[C@H]2CC2(Cl)Cl)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592043476 1093965008 /nfs/dbraw/zinc/96/50/08/1093965008.db2.gz GYXHRYUIYNNFHU-SSDOTTSWSA-N -1 1 343.174 2.689 20 5 EFBDMM Cc1cc(OCc2ccc(-c3nn[n-]n3)s2)c(F)cc1[N+](=O)[O-] ZINC001592058732 1093970997 /nfs/dbraw/zinc/97/09/97/1093970997.db2.gz DUIDVOLLJOBORG-UHFFFAOYSA-N -1 1 335.320 2.863 20 5 EFBDMM Cc1cccc2c1CN(c1ccc(-c3nn[n-]n3)c([N+](=O)[O-])c1)CC2 ZINC001592244630 1094047492 /nfs/dbraw/zinc/04/74/92/1094047492.db2.gz DEWQFXOVGGIXKC-UHFFFAOYSA-N -1 1 336.355 2.646 20 5 EFBDMM Cc1ccccc1CCN(C)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592257702 1094054765 /nfs/dbraw/zinc/05/47/65/1094054765.db2.gz JPYCWDNJCQPRHJ-UHFFFAOYSA-N -1 1 338.371 2.762 20 5 EFBDMM Cc1ccccc1CCN(C)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592257702 1094054770 /nfs/dbraw/zinc/05/47/70/1094054770.db2.gz JPYCWDNJCQPRHJ-UHFFFAOYSA-N -1 1 338.371 2.762 20 5 EFBDMM Cc1noc(C)c1[C@H](C)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001592456095 1094107810 /nfs/dbraw/zinc/10/78/10/1094107810.db2.gz GKFAMQBRTQHXOV-MRVPVSSYSA-N -1 1 343.347 2.595 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(Cl)cc1F ZINC001593465150 1094309083 /nfs/dbraw/zinc/30/90/83/1094309083.db2.gz GSGYOHFNLPMLSD-UHFFFAOYSA-N -1 1 349.713 2.575 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(Cl)cc1F ZINC001593465150 1094309093 /nfs/dbraw/zinc/30/90/93/1094309093.db2.gz GSGYOHFNLPMLSD-UHFFFAOYSA-N -1 1 349.713 2.575 20 5 EFBDMM O=[N+]([O-])c1c(N[C@@H]2C[C@H]2c2ccc(F)cc2)cccc1-c1nnn[n-]1 ZINC001593469476 1094313938 /nfs/dbraw/zinc/31/39/38/1094313938.db2.gz RYAMGCFHFIPJIC-GXTWGEPZSA-N -1 1 340.318 2.882 20 5 EFBDMM O=[N+]([O-])c1c(N[C@@H]2C[C@H]2c2ccc(F)cc2)cccc1-c1nn[n-]n1 ZINC001593469476 1094313949 /nfs/dbraw/zinc/31/39/49/1094313949.db2.gz RYAMGCFHFIPJIC-GXTWGEPZSA-N -1 1 340.318 2.882 20 5 EFBDMM O=[N+]([O-])c1cc(N2CC[C@@H]2c2cccc(F)c2)ccc1-c1nn[n-]n1 ZINC001593471618 1094315207 /nfs/dbraw/zinc/31/52/07/1094315207.db2.gz PISCSTQACIAYOC-CQSZACIVSA-N -1 1 340.318 2.865 20 5 EFBDMM O=[N+]([O-])c1cc(N2CCc3c2cccc3F)ccc1-c1nn[n-]n1 ZINC001593471570 1094315265 /nfs/dbraw/zinc/31/52/65/1094315265.db2.gz NKTRBBJYRRFQMW-UHFFFAOYSA-N -1 1 326.291 2.608 20 5 EFBDMM O=[N+]([O-])c1cc(N2CCC[C@H]2c2ccccn2)ccc1-c1nn[n-]n1 ZINC001593470726 1094316432 /nfs/dbraw/zinc/31/64/32/1094316432.db2.gz IEBGZVZVRZVGPE-AWEZNQCLSA-N -1 1 337.343 2.511 20 5 EFBDMM O=[N+]([O-])c1cc(N[C@@H]2CCCc3cccnc32)ccc1-c1nn[n-]n1 ZINC001593473458 1094316930 /nfs/dbraw/zinc/31/69/30/1094316930.db2.gz CZIDHKFOEOCIQQ-CYBMUJFWSA-N -1 1 337.343 2.659 20 5 EFBDMM O=[N+]([O-])c1cc(N2Cc3cccc(Cl)c3C2)ccc1-c1nn[n-]n1 ZINC001593473488 1094318238 /nfs/dbraw/zinc/31/82/38/1094318238.db2.gz FJNPJXWFTBUUDN-UHFFFAOYSA-N -1 1 342.746 2.949 20 5 EFBDMM O=[N+]([O-])c1cc(NCc2ccc(F)cc2F)ccc1-c1nn[n-]n1 ZINC001593473760 1094318491 /nfs/dbraw/zinc/31/84/91/1094318491.db2.gz LMPXDJJDNYBUOH-UHFFFAOYSA-N -1 1 332.270 2.665 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1-c1nnn[n-]1 ZINC001593477820 1094319858 /nfs/dbraw/zinc/31/98/58/1094319858.db2.gz FZHJSWZUACNBPB-DVVUODLYSA-N -1 1 336.302 2.621 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1-c1nn[n-]n1 ZINC001593477820 1094319867 /nfs/dbraw/zinc/31/98/67/1094319867.db2.gz FZHJSWZUACNBPB-DVVUODLYSA-N -1 1 336.302 2.621 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CC(c3ccccc3F)C2)cc1-c1nnn[n-]1 ZINC001593476736 1094320897 /nfs/dbraw/zinc/32/08/97/1094320897.db2.gz XCOQLDVWIRKCPL-UHFFFAOYSA-N -1 1 340.318 2.518 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CC(c3ccccc3F)C2)cc1-c1nn[n-]n1 ZINC001593476736 1094320899 /nfs/dbraw/zinc/32/08/99/1094320899.db2.gz XCOQLDVWIRKCPL-UHFFFAOYSA-N -1 1 340.318 2.518 20 5 EFBDMM O=[N+]([O-])c1ccc(NCC2C[C@H]3CC[C@@H](C2)S3)cc1-c1nnn[n-]1 ZINC001593478661 1094323959 /nfs/dbraw/zinc/32/39/59/1094323959.db2.gz XNIGTDDOZGMESS-CLYYMRHHSA-N -1 1 346.416 2.861 20 5 EFBDMM O=[N+]([O-])c1ccc(NCC2C[C@H]3CC[C@@H](C2)S3)cc1-c1nn[n-]n1 ZINC001593478661 1094323972 /nfs/dbraw/zinc/32/39/72/1094323972.db2.gz XNIGTDDOZGMESS-CLYYMRHHSA-N -1 1 346.416 2.861 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC[C@@H]2CCCC[C@H]2C1 ZINC001593487227 1094329179 /nfs/dbraw/zinc/32/91/79/1094329179.db2.gz FZQCUGKONIHUES-UWVGGRQHSA-N -1 1 334.405 2.853 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC[C@@H]2CCCC[C@H]2C1 ZINC001593487227 1094329187 /nfs/dbraw/zinc/32/91/87/1094329187.db2.gz FZQCUGKONIHUES-UWVGGRQHSA-N -1 1 334.405 2.853 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@H](c1ccccn1)C1CC1 ZINC001593487855 1094329803 /nfs/dbraw/zinc/32/98/03/1094329803.db2.gz NEFUDSNNVGCPBC-LBPRGKRZSA-N -1 1 343.372 2.795 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@H](c1ccccn1)C1CC1 ZINC001593487855 1094329811 /nfs/dbraw/zinc/32/98/11/1094329811.db2.gz NEFUDSNNVGCPBC-LBPRGKRZSA-N -1 1 343.372 2.795 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC[C@H]1c1ccc(F)cc1 ZINC001593488168 1094330749 /nfs/dbraw/zinc/33/07/49/1094330749.db2.gz QAIOKXKIOGIPGR-JTQLQIEISA-N -1 1 346.347 2.927 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC[C@H]1c1ccc(F)cc1 ZINC001593488168 1094330754 /nfs/dbraw/zinc/33/07/54/1094330754.db2.gz QAIOKXKIOGIPGR-JTQLQIEISA-N -1 1 346.347 2.927 20 5 EFBDMM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC001600372152 1095011879 /nfs/dbraw/zinc/01/18/79/1095011879.db2.gz PMDMDHHFQMUOLD-HNNXBMFYSA-N -1 1 344.323 2.555 20 5 EFBDMM Cc1sc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c(C(=O)[O-])c1C ZINC001600887591 1095408508 /nfs/dbraw/zinc/40/85/08/1095408508.db2.gz ZAQSWWAYHNSMRV-UHFFFAOYSA-N -1 1 336.325 2.929 20 5 EFBDMM O=C([O-])COc1ccc(CN2CCCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC001602083127 1096050868 /nfs/dbraw/zinc/05/08/68/1096050868.db2.gz HVZXMRPGCIJFKY-UHFFFAOYSA-N -1 1 344.314 2.679 20 5 EFBDMM O=C([O-])c1cc(-c2cccc([C@H]3COCCN3)c2)cc([N+](=O)[O-])c1 ZINC001602236874 1096133185 /nfs/dbraw/zinc/13/31/85/1096133185.db2.gz KEXNJECMLNNMJE-MRXNPFEDSA-N -1 1 328.324 2.621 20 5 EFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC=C(c3cccnc3)C2)c1 ZINC001602405547 1096225328 /nfs/dbraw/zinc/22/53/28/1096225328.db2.gz WSQJTPLMZFCOLV-UHFFFAOYSA-N -1 1 339.351 2.977 20 5 EFBDMM CC(=O)Nc1ccc(Oc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cc1 ZINC001602952587 1096406570 /nfs/dbraw/zinc/40/65/70/1096406570.db2.gz HSJFFNXYLHXYRL-UHFFFAOYSA-N -1 1 346.328 2.587 20 5 EFBDMM CC(=O)Nc1ccc(Oc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cc1 ZINC001602952587 1096406574 /nfs/dbraw/zinc/40/65/74/1096406574.db2.gz HSJFFNXYLHXYRL-UHFFFAOYSA-N -1 1 346.328 2.587 20 5 EFBDMM CC(C)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])C1=CCCC1 ZINC001603151033 1096460849 /nfs/dbraw/zinc/46/08/49/1096460849.db2.gz DLBFTSGPKVLPCX-UHFFFAOYSA-N -1 1 329.364 2.718 20 5 EFBDMM CC(C)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])C1=CCCC1 ZINC001603151033 1096460852 /nfs/dbraw/zinc/46/08/52/1096460852.db2.gz DLBFTSGPKVLPCX-UHFFFAOYSA-N -1 1 329.364 2.718 20 5 EFBDMM CC(C)C[C@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001603272491 1096490829 /nfs/dbraw/zinc/49/08/29/1096490829.db2.gz QEQXCLKFZONQNK-RYUDHWBXSA-N -1 1 346.391 2.781 20 5 EFBDMM CC(C)C[C@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001603272491 1096490833 /nfs/dbraw/zinc/49/08/33/1096490833.db2.gz QEQXCLKFZONQNK-RYUDHWBXSA-N -1 1 346.391 2.781 20 5 EFBDMM C[C@H](CCc1cccn1C)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001603499053 1096540428 /nfs/dbraw/zinc/54/04/28/1096540428.db2.gz JKIHVLGCZWPSAZ-SECBINFHSA-N -1 1 347.404 2.608 20 5 EFBDMM C[C@H](CCc1cccn1C)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001603499053 1096540433 /nfs/dbraw/zinc/54/04/33/1096540433.db2.gz JKIHVLGCZWPSAZ-SECBINFHSA-N -1 1 347.404 2.608 20 5 EFBDMM CC(C)(/C=C\Cl)NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001603576013 1096557384 /nfs/dbraw/zinc/55/73/84/1096557384.db2.gz VDEXDAMHJAAKIP-WAYWQWQTSA-N -1 1 328.752 2.679 20 5 EFBDMM C[C@H](Cc1ccsc1)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001603588864 1096561503 /nfs/dbraw/zinc/56/15/03/1096561503.db2.gz HHTZMPLKXAPAQQ-SSDOTTSWSA-N -1 1 336.402 2.941 20 5 EFBDMM C[C@H](Cc1ccsc1)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001603588864 1096561512 /nfs/dbraw/zinc/56/15/12/1096561512.db2.gz HHTZMPLKXAPAQQ-SSDOTTSWSA-N -1 1 336.402 2.941 20 5 EFBDMM C[C@@H]1[C@H](C(F)(F)F)CCN1c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603837509 1096640634 /nfs/dbraw/zinc/64/06/34/1096640634.db2.gz UVTWVULUJAOADZ-GMSGAONNSA-N -1 1 342.281 2.552 20 5 EFBDMM C[C@@H]1[C@H](C(F)(F)F)CCN1c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603837509 1096640638 /nfs/dbraw/zinc/64/06/38/1096640638.db2.gz UVTWVULUJAOADZ-GMSGAONNSA-N -1 1 342.281 2.552 20 5 EFBDMM C[C@@H]1CC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC001603879083 1096653961 /nfs/dbraw/zinc/65/39/61/1096653961.db2.gz BEQGHTJICZQISW-JRKPZEMJSA-N -1 1 331.380 2.594 20 5 EFBDMM C[C@@H]1CC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC001603879083 1096653964 /nfs/dbraw/zinc/65/39/64/1096653964.db2.gz BEQGHTJICZQISW-JRKPZEMJSA-N -1 1 331.380 2.594 20 5 EFBDMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC001603938635 1096675320 /nfs/dbraw/zinc/67/53/20/1096675320.db2.gz GAWHQBCNPTUXLN-QKCSRTOESA-N -1 1 328.376 2.790 20 5 EFBDMM C[C@H]1Cc2cc(Nc3cccc(-c4nnn[n-]4)c3[N+](=O)[O-])ccc2O1 ZINC001603953242 1096681887 /nfs/dbraw/zinc/68/18/87/1096681887.db2.gz SQCZWJBROMBSAV-VIFPVBQESA-N -1 1 338.327 2.842 20 5 EFBDMM C[C@H]1Cc2cc(Nc3cccc(-c4nn[n-]n4)c3[N+](=O)[O-])ccc2O1 ZINC001603953242 1096681889 /nfs/dbraw/zinc/68/18/89/1096681889.db2.gz SQCZWJBROMBSAV-VIFPVBQESA-N -1 1 338.327 2.842 20 5 EFBDMM C[C@H]1Cc2ccccc2CN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603952884 1096681975 /nfs/dbraw/zinc/68/19/75/1096681975.db2.gz OKSFFDKSDIQVBN-NSHDSACASA-N -1 1 336.355 2.726 20 5 EFBDMM C[C@](CC(=O)[O-])(NCc1ccc(F)cc1[N+](=O)[O-])c1ccncc1 ZINC001604091587 1096729906 /nfs/dbraw/zinc/72/99/06/1096729906.db2.gz SSAXICAOYXCKQL-MRXNPFEDSA-N -1 1 333.319 2.609 20 5 EFBDMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001604652967 1096924092 /nfs/dbraw/zinc/92/40/92/1096924092.db2.gz STXVSTYBDVBGSD-NXEZZACHSA-N -1 1 337.332 2.577 20 5 EFBDMM CN(CCc1ccccc1F)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001604791721 1096955483 /nfs/dbraw/zinc/95/54/83/1096955483.db2.gz FZBAWTQPPPXVSP-UHFFFAOYSA-N -1 1 348.363 2.654 20 5 EFBDMM CN(CCc1ccccc1F)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001604791721 1096955488 /nfs/dbraw/zinc/95/54/88/1096955488.db2.gz FZBAWTQPPPXVSP-UHFFFAOYSA-N -1 1 348.363 2.654 20 5 EFBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1cccc(O)c1 ZINC001605441742 1097125868 /nfs/dbraw/zinc/12/58/68/1097125868.db2.gz AKGLQLSJFCUNMI-VIFPVBQESA-N -1 1 326.316 2.654 20 5 EFBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1cccc(O)c1 ZINC001605441742 1097125872 /nfs/dbraw/zinc/12/58/72/1097125872.db2.gz AKGLQLSJFCUNMI-VIFPVBQESA-N -1 1 326.316 2.654 20 5 EFBDMM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001605643074 1097178555 /nfs/dbraw/zinc/17/85/55/1097178555.db2.gz AXLVIKXYTAPMEW-UHFFFAOYSA-N -1 1 344.356 2.706 20 5 EFBDMM Cc1cc(N2CC[C@H]3CC[C@@H](C2)S3)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605694427 1097197376 /nfs/dbraw/zinc/19/73/76/1097197376.db2.gz FQOPIMHJJWUGDJ-NEPJUHHUSA-N -1 1 346.416 2.558 20 5 EFBDMM Cc1cc(N2CC[C@H]3CC[C@@H](C2)S3)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605694427 1097197378 /nfs/dbraw/zinc/19/73/78/1097197378.db2.gz FQOPIMHJJWUGDJ-NEPJUHHUSA-N -1 1 346.416 2.558 20 5 EFBDMM Cc1ccc2c(c1)CCN(c1ccc(-c3nn[n-]n3)c([N+](=O)[O-])c1)C2 ZINC001605888813 1097267458 /nfs/dbraw/zinc/26/74/58/1097267458.db2.gz PPKVIMNYWIEVHV-UHFFFAOYSA-N -1 1 336.355 2.646 20 5 EFBDMM Cc1nc(C)c(CCNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])s1 ZINC001606038466 1097304293 /nfs/dbraw/zinc/30/42/93/1097304293.db2.gz CVXSPFVNHUCNBK-UHFFFAOYSA-N -1 1 345.388 2.503 20 5 EFBDMM Cc1nc(C)c(CCNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])s1 ZINC001606038466 1097304298 /nfs/dbraw/zinc/30/42/98/1097304298.db2.gz CVXSPFVNHUCNBK-UHFFFAOYSA-N -1 1 345.388 2.503 20 5 EFBDMM O=Cc1ccc(Oc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cc1F ZINC001607056277 1097504068 /nfs/dbraw/zinc/50/40/68/1097504068.db2.gz ATLLSAXIEQKXMU-UHFFFAOYSA-N -1 1 335.276 2.580 20 5 EFBDMM O=Cc1ccc(Oc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cc1F ZINC001607056277 1097504072 /nfs/dbraw/zinc/50/40/72/1097504072.db2.gz ATLLSAXIEQKXMU-UHFFFAOYSA-N -1 1 335.276 2.580 20 5 EFBDMM O=[N+]([O-])c1c(NCCCOc2ccccc2)cccc1-c1nnn[n-]1 ZINC001607077662 1097505596 /nfs/dbraw/zinc/50/55/96/1097505596.db2.gz CGOQXFVTZYZXPE-UHFFFAOYSA-N -1 1 340.343 2.656 20 5 EFBDMM O=[N+]([O-])c1c(NCCCOc2ccccc2)cccc1-c1nn[n-]n1 ZINC001607077662 1097505602 /nfs/dbraw/zinc/50/56/02/1097505602.db2.gz CGOQXFVTZYZXPE-UHFFFAOYSA-N -1 1 340.343 2.656 20 5 EFBDMM O=[N+]([O-])c1cc(N2CC[C@H]3CCCC[C@@H]3C2)ccc1-c1nn[n-]n1 ZINC001607078773 1097506457 /nfs/dbraw/zinc/50/64/57/1097506457.db2.gz LIWWRQZZNNLXEJ-VXGBXAGGSA-N -1 1 328.376 2.791 20 5 EFBDMM O=[N+]([O-])c1cc(F)cc(Oc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1 ZINC001607078760 1097507301 /nfs/dbraw/zinc/50/73/01/1097507301.db2.gz KXRKGQOOQFMGAG-UHFFFAOYSA-N -1 1 346.234 2.615 20 5 EFBDMM O=[N+]([O-])c1cc(F)cc(Oc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1 ZINC001607078760 1097507304 /nfs/dbraw/zinc/50/73/04/1097507304.db2.gz KXRKGQOOQFMGAG-UHFFFAOYSA-N -1 1 346.234 2.615 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@H](C2CCC2)[C@H]2CCCO2)cc1-c1nnn[n-]1 ZINC001607082661 1097508331 /nfs/dbraw/zinc/50/83/31/1097508331.db2.gz RAQHYZQUQWYPMC-HUUCEWRRSA-N -1 1 344.375 2.535 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@H](C2CCC2)[C@H]2CCCO2)cc1-c1nn[n-]n1 ZINC001607082661 1097508339 /nfs/dbraw/zinc/50/83/39/1097508339.db2.gz RAQHYZQUQWYPMC-HUUCEWRRSA-N -1 1 344.375 2.535 20 5 EFBDMM O=[N+]([O-])c1cc(NCCc2ccc(F)c(F)c2)ccc1-c1nn[n-]n1 ZINC001607080282 1097508575 /nfs/dbraw/zinc/50/85/75/1097508575.db2.gz SBUSNTNYJRXHQV-UHFFFAOYSA-N -1 1 346.297 2.708 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCc1ccc([O-])c(Cl)c1 ZINC001607080704 1097508727 /nfs/dbraw/zinc/50/87/27/1097508727.db2.gz YLWHDKQMCRVKNA-UHFFFAOYSA-N -1 1 346.734 2.746 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@@H]1CCCC(F)(F)C1 ZINC001607087943 1097511378 /nfs/dbraw/zinc/51/13/78/1097511378.db2.gz BHLKVQILCOQJAU-ZCFIWIBFSA-N -1 1 330.320 2.826 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@@H]1CCCC(F)(F)C1 ZINC001607087943 1097511385 /nfs/dbraw/zinc/51/13/85/1097511385.db2.gz BHLKVQILCOQJAU-ZCFIWIBFSA-N -1 1 330.320 2.826 20 5 EFBDMM COc1ccc([C@H](NCc2cccc([N+](=O)[O-])c2)C(=O)[O-])c(OC)c1 ZINC001607235722 1097569330 /nfs/dbraw/zinc/56/93/30/1097569330.db2.gz YBRNBNXQEDRLDT-INIZCTEOSA-N -1 1 346.339 2.528 20 5 EFBDMM Cc1ccc(CN2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001607780962 1097731429 /nfs/dbraw/zinc/73/14/29/1097731429.db2.gz GXNLVKSSWCPTBJ-NWDGAFQWSA-N -1 1 346.305 2.988 20 5 EFBDMM O=C([O-])COc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC001608758054 1098011163 /nfs/dbraw/zinc/01/11/63/1098011163.db2.gz FDVYAIWXOZMWQG-UHFFFAOYSA-N -1 1 331.259 2.741 20 5 EFBDMM O=C([O-])c1cc(NC(=O)c2cc(Cl)ccc2O)cc([N+](=O)[O-])c1 ZINC001608855444 1098047178 /nfs/dbraw/zinc/04/71/78/1098047178.db2.gz OSGIUVJTAIVOEH-UHFFFAOYSA-N -1 1 336.687 2.904 20 5 EFBDMM CC(C)(CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cccnc1 ZINC001609084062 1098137032 /nfs/dbraw/zinc/13/70/32/1098137032.db2.gz DYVFFQUQRSXQOP-UHFFFAOYSA-N -1 1 339.359 2.560 20 5 EFBDMM CC(C)(CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1cccnc1 ZINC001609084062 1098137034 /nfs/dbraw/zinc/13/70/34/1098137034.db2.gz DYVFFQUQRSXQOP-UHFFFAOYSA-N -1 1 339.359 2.560 20 5 EFBDMM CC(C)[C@@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCO1 ZINC001609092051 1098139424 /nfs/dbraw/zinc/13/94/24/1098139424.db2.gz YTSPBVHBNPRDOJ-ABAIWWIYSA-N -1 1 346.391 2.638 20 5 EFBDMM CC(C)CCCn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001609094275 1098141912 /nfs/dbraw/zinc/14/19/12/1098141912.db2.gz PVTSHOBGBDHVSR-UHFFFAOYSA-N -1 1 342.359 2.526 20 5 EFBDMM C[C@@](O)(CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC001609127510 1098159741 /nfs/dbraw/zinc/15/97/41/1098159741.db2.gz KMRCNPXMRJOKGI-MRXNPFEDSA-N -1 1 346.391 2.518 20 5 EFBDMM C[C@@H]1Oc2ccccc2[C@@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609179520 1098184191 /nfs/dbraw/zinc/18/41/91/1098184191.db2.gz SXDAHBJISGMMGV-BJOHPYRUSA-N -1 1 338.327 2.709 20 5 EFBDMM CCS[C@H]1CCCCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001609248733 1098221947 /nfs/dbraw/zinc/22/19/47/1098221947.db2.gz QYZTZTIOAKAZGB-LBPRGKRZSA-N -1 1 348.432 2.887 20 5 EFBDMM CCS[C@H]1CCCCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001609248733 1098221951 /nfs/dbraw/zinc/22/19/51/1098221951.db2.gz QYZTZTIOAKAZGB-LBPRGKRZSA-N -1 1 348.432 2.887 20 5 EFBDMM COCC1(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCCCC1 ZINC001609319184 1098246268 /nfs/dbraw/zinc/24/62/68/1098246268.db2.gz JECSYWPJIQJBFZ-UHFFFAOYSA-N -1 1 346.391 2.784 20 5 EFBDMM COCC1(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCCCC1 ZINC001609319184 1098246269 /nfs/dbraw/zinc/24/62/69/1098246269.db2.gz JECSYWPJIQJBFZ-UHFFFAOYSA-N -1 1 346.391 2.784 20 5 EFBDMM Nc1cc(N2CCC3(CCCC3)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609511030 1098365555 /nfs/dbraw/zinc/36/55/55/1098365555.db2.gz SWTCVPFVSUGRGA-UHFFFAOYSA-N -1 1 343.391 2.518 20 5 EFBDMM Nc1cc(N2CCC3(CCCC3)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609511030 1098365563 /nfs/dbraw/zinc/36/55/63/1098365563.db2.gz SWTCVPFVSUGRGA-UHFFFAOYSA-N -1 1 343.391 2.518 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC[C@@H](C2CCCC2)C1 ZINC001609599655 1098394228 /nfs/dbraw/zinc/39/42/28/1098394228.db2.gz SSDCQROXVGEDSL-GFCCVEGCSA-N -1 1 328.376 2.791 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC[C@@H](C2CCCC2)C1 ZINC001609599655 1098394235 /nfs/dbraw/zinc/39/42/35/1098394235.db2.gz SSDCQROXVGEDSL-GFCCVEGCSA-N -1 1 328.376 2.791 20 5 EFBDMM O=[N+]([O-])c1ccc(NC[C@H]2CCOC3(CCC3)C2)cc1-c1nnn[n-]1 ZINC001609602244 1098395468 /nfs/dbraw/zinc/39/54/68/1098395468.db2.gz SWSAQZBYTVUFDL-NSHDSACASA-N -1 1 344.375 2.536 20 5 EFBDMM O=[N+]([O-])c1ccc(NC[C@H]2CCOC3(CCC3)C2)cc1-c1nn[n-]n1 ZINC001609602244 1098395474 /nfs/dbraw/zinc/39/54/74/1098395474.db2.gz SWSAQZBYTVUFDL-NSHDSACASA-N -1 1 344.375 2.536 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCC[C@@H]2CCCCO2)cc1-c1nnn[n-]1 ZINC001609602272 1098395735 /nfs/dbraw/zinc/39/57/35/1098395735.db2.gz VAPVYWYRBMBRKR-LBPRGKRZSA-N -1 1 332.364 2.536 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCC[C@@H]2CCCCO2)cc1-c1nn[n-]n1 ZINC001609602272 1098395740 /nfs/dbraw/zinc/39/57/40/1098395740.db2.gz VAPVYWYRBMBRKR-LBPRGKRZSA-N -1 1 332.364 2.536 20 5 EFBDMM O=[N+]([O-])c1ccc(Oc2ccc(F)nc2-c2nn[n-]n2)c(Cl)c1 ZINC001609602298 1098395818 /nfs/dbraw/zinc/39/58/18/1098395818.db2.gz HXNFQRFYDFIJGE-UHFFFAOYSA-N -1 1 336.670 2.755 20 5 EFBDMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001666226057 1104905939 /nfs/dbraw/zinc/90/59/39/1104905939.db2.gz TTYPONNTQCLQDO-SDNRWEOFSA-N -1 1 330.793 2.571 20 5 EFBDMM C=CC(=O)OC[C@@H](C)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234875216 1111426922 /nfs/dbraw/zinc/42/69/22/1111426922.db2.gz FKVURESSTLPMJW-SSDOTTSWSA-N -1 1 346.133 2.559 20 5 EFBDMM CC(C)Oc1ccc([C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000193403603 240151342 /nfs/dbraw/zinc/15/13/42/240151342.db2.gz FEWVDISTFADGMU-NSHDSACASA-N -1 1 345.355 2.974 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000193602701 240230541 /nfs/dbraw/zinc/23/05/41/240230541.db2.gz CPLKCLBLWFEBCD-GFCCVEGCSA-N -1 1 345.330 2.539 20 5 EFBDMM O=C(NC1(c2ccc(F)cc2F)CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187215849 283911295 /nfs/dbraw/zinc/91/12/95/283911295.db2.gz GTSXNCMGXCNNPX-UHFFFAOYSA-N -1 1 349.293 2.783 20 5 EFBDMM O=C(c1ncccc1[O-])N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000427501302 247358980 /nfs/dbraw/zinc/35/89/80/247358980.db2.gz FPJIVYDSUXDKGJ-HNNXBMFYSA-N -1 1 331.353 2.583 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCSC[C@H]1c1ccccc1 ZINC000187564078 296283541 /nfs/dbraw/zinc/28/35/41/296283541.db2.gz ITJWMGZXJJANDP-AWEZNQCLSA-N -1 1 345.380 2.626 20 5 EFBDMM Cc1ccc(CSCCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000444825366 250353189 /nfs/dbraw/zinc/35/31/89/250353189.db2.gz CMZVFQRWMIZEKD-UHFFFAOYSA-N -1 1 347.396 2.667 20 5 EFBDMM O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445014611 250375292 /nfs/dbraw/zinc/37/52/92/250375292.db2.gz XHKIZPRCUAGXHK-SCZZXKLOSA-N -1 1 347.293 2.794 20 5 EFBDMM C[C@@]1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCCc2ccccc21 ZINC000445134254 250388171 /nfs/dbraw/zinc/38/81/71/250388171.db2.gz KQEOGMUDESJJJV-SFHVURJKSA-N -1 1 341.367 2.719 20 5 EFBDMM CC/C=C\C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000451777815 251685565 /nfs/dbraw/zinc/68/55/65/251685565.db2.gz RYHARHQLCVAQLX-ARJAWSKDSA-N -1 1 349.206 2.602 20 5 EFBDMM Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc2n[nH]cc21 ZINC000346446505 142205474 /nfs/dbraw/zinc/20/54/74/142205474.db2.gz AUODCWIRIRUVHX-UHFFFAOYSA-N -1 1 346.368 2.889 20 5 EFBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)nn1-c1ccccc1Cl ZINC000347907417 142290777 /nfs/dbraw/zinc/29/07/77/142290777.db2.gz ZUCBETXFIKTQJM-UHFFFAOYSA-N -1 1 345.746 2.745 20 5 EFBDMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1[N+](=O)[O-] ZINC000342427989 145123454 /nfs/dbraw/zinc/12/34/54/145123454.db2.gz AVNTXQYFGAWFRU-UHFFFAOYSA-N -1 1 334.353 2.734 20 5 EFBDMM Cc1ccc(-c2ccnn2C)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000343798262 145297584 /nfs/dbraw/zinc/29/75/84/145297584.db2.gz ZQSFKFQZPOHTDI-UHFFFAOYSA-N -1 1 325.328 2.884 20 5 EFBDMM CC(C)c1ccccc1OCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000348994666 146034717 /nfs/dbraw/zinc/03/47/17/146034717.db2.gz SUVQIZYDJPIJRD-UHFFFAOYSA-N -1 1 345.355 2.628 20 5 EFBDMM Cc1cc(Br)c([O-])c(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000351591638 146154315 /nfs/dbraw/zinc/15/43/15/146154315.db2.gz SMOBMBAIWOZHKD-UHFFFAOYSA-N -1 1 340.133 2.952 20 5 EFBDMM CSc1ccccc1CN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000352967024 146362055 /nfs/dbraw/zinc/36/20/55/146362055.db2.gz VTNUKUQCVGNJRG-UHFFFAOYSA-N -1 1 333.369 2.690 20 5 EFBDMM O=C(N[C@H]1CC[C@H](c2ccc(F)cc2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000352994492 146369676 /nfs/dbraw/zinc/36/96/76/146369676.db2.gz WVGLLMGITUURGI-AAEUAGOBSA-N -1 1 345.330 2.901 20 5 EFBDMM Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2F)ccc1[N+](=O)[O-] ZINC000359978311 148240608 /nfs/dbraw/zinc/24/06/08/148240608.db2.gz QVQBMQTURUHVMA-UHFFFAOYSA-N -1 1 328.296 2.982 20 5 EFBDMM Cc1cc(Oc2ccc([N-]S(C)(=O)=O)nc2)c(F)cc1[N+](=O)[O-] ZINC000360071882 148264821 /nfs/dbraw/zinc/26/48/21/148264821.db2.gz LQNOAQDOPSDQQL-UHFFFAOYSA-N -1 1 341.320 2.601 20 5 EFBDMM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000360343926 148336463 /nfs/dbraw/zinc/33/64/63/148336463.db2.gz DSSLVJMKZBYYPJ-ZJUUUORDSA-N -1 1 332.809 2.963 20 5 EFBDMM CCSCC[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000135345210 286701213 /nfs/dbraw/zinc/70/12/13/286701213.db2.gz SGDWHZNHFOFXTA-VIFPVBQESA-N -1 1 336.410 2.544 20 5 EFBDMM Cn1ccc2cccc(NS(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)c21 ZINC000190856066 265240167 /nfs/dbraw/zinc/24/01/67/265240167.db2.gz CPRSXWNIMQWCDL-UHFFFAOYSA-N -1 1 347.352 2.593 20 5 EFBDMM O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277812605 267269763 /nfs/dbraw/zinc/26/97/63/267269763.db2.gz XMWNGADJKVCSOB-UONOGXRCSA-N -1 1 327.340 2.762 20 5 EFBDMM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278223847 267373276 /nfs/dbraw/zinc/37/32/76/267373276.db2.gz SKLBFNDPSIGBMC-JSGCOSHPSA-N -1 1 341.367 2.789 20 5 EFBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000271247230 273103323 /nfs/dbraw/zinc/10/33/23/273103323.db2.gz CUODTTDOPIDILW-UHFFFAOYSA-N -1 1 346.315 2.673 20 5 EFBDMM Cc1ccc([C@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)c(C)c1 ZINC000279999548 273279409 /nfs/dbraw/zinc/27/94/09/273279409.db2.gz MGDXMGULJGDKCW-ZDUSSCGKSA-N -1 1 341.367 2.942 20 5 EFBDMM Cc1ccc([C@@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)c(C)c1 ZINC000279999546 273279416 /nfs/dbraw/zinc/27/94/16/273279416.db2.gz MGDXMGULJGDKCW-CYBMUJFWSA-N -1 1 341.367 2.942 20 5 EFBDMM C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000452234460 289032215 /nfs/dbraw/zinc/03/22/15/289032215.db2.gz XRJMEZZSYMLVLM-YIZRAAEISA-N -1 1 347.293 2.887 20 5 EFBDMM CCN(Cc1c(F)cccc1F)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000130519728 293169240 /nfs/dbraw/zinc/16/92/40/293169240.db2.gz IUWDQYXFUYZRKF-UHFFFAOYSA-N -1 1 337.282 2.636 20 5 EFBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000133442211 293257476 /nfs/dbraw/zinc/25/74/76/293257476.db2.gz QQQFAOSWHIRZOZ-UHFFFAOYSA-N -1 1 342.323 2.857 20 5 EFBDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)ccc1C ZINC000134441640 293290500 /nfs/dbraw/zinc/29/05/00/293290500.db2.gz LCPUYWBLKZYPSR-UHFFFAOYSA-N -1 1 349.368 2.662 20 5 EFBDMM COC(=O)c1nc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)sc1C(C)C ZINC000292973080 294840438 /nfs/dbraw/zinc/84/04/38/294840438.db2.gz IXTAQEHVNSGIBH-UHFFFAOYSA-N -1 1 338.345 2.542 20 5 EFBDMM O=C(Nc1cc(F)ccc1[O-])c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000174882271 310768826 /nfs/dbraw/zinc/76/88/26/310768826.db2.gz ZCSISXFNFCIIQQ-UHFFFAOYSA-N -1 1 343.270 2.533 20 5 EFBDMM Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1C(=O)N1CCCC1 ZINC000299008059 311041594 /nfs/dbraw/zinc/04/15/94/311041594.db2.gz NMTJLAHLWLRNIW-UHFFFAOYSA-N -1 1 342.355 2.720 20 5 EFBDMM CC(C)(C)OC(=O)N(Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)C1CC1 ZINC000496763791 315187151 /nfs/dbraw/zinc/18/71/51/315187151.db2.gz NRYFSRBGCPZJJG-UHFFFAOYSA-N -1 1 349.347 2.872 20 5 EFBDMM CC[C@@H](C)N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000516184576 315660417 /nfs/dbraw/zinc/66/04/17/315660417.db2.gz UGKKKYWKCHCEJV-SNVBAGLBSA-N -1 1 341.795 2.510 20 5 EFBDMM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1[O-] ZINC000520292389 315944797 /nfs/dbraw/zinc/94/47/97/315944797.db2.gz AMYVMZBDAZGTRD-UHFFFAOYSA-N -1 1 336.731 2.763 20 5 EFBDMM CC(C)c1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000525186540 316194811 /nfs/dbraw/zinc/19/48/11/316194811.db2.gz ZZILZVQEOKIPJN-UHFFFAOYSA-N -1 1 335.385 2.592 20 5 EFBDMM Cc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525688309 316226593 /nfs/dbraw/zinc/22/65/93/316226593.db2.gz SDNIMGZIZJWCLJ-UHFFFAOYSA-N -1 1 349.412 2.598 20 5 EFBDMM CC(C)CC1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCCC1 ZINC000531533530 317279363 /nfs/dbraw/zinc/27/93/63/317279363.db2.gz MUBQDZOWLNCQCQ-UHFFFAOYSA-N -1 1 341.433 2.875 20 5 EFBDMM COC(=O)c1ccc([O-])c(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000548813927 318146587 /nfs/dbraw/zinc/14/65/87/318146587.db2.gz BQMFZRCLNRUWHT-SNVBAGLBSA-N -1 1 344.323 2.829 20 5 EFBDMM O=C([O-])c1cnc(NC[C@H](c2ccco2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000563207561 318754183 /nfs/dbraw/zinc/75/41/83/318754183.db2.gz XRMCTVCNINGCOL-CYBMUJFWSA-N -1 1 346.343 2.530 20 5 EFBDMM CCOc1cc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000563276995 318761990 /nfs/dbraw/zinc/76/19/90/318761990.db2.gz ITMWCMXPBGJTIT-ZDUSSCGKSA-N -1 1 334.372 2.680 20 5 EFBDMM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1[N+](=O)[O-] ZINC000570682416 319502358 /nfs/dbraw/zinc/50/23/58/319502358.db2.gz DUUWERZUZVXIHZ-UHFFFAOYSA-N -1 1 348.380 2.988 20 5 EFBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000182712997 323297697 /nfs/dbraw/zinc/29/76/97/323297697.db2.gz SRTKVBRFUGRACI-UHFFFAOYSA-N -1 1 341.776 2.628 20 5 EFBDMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000194176474 323501438 /nfs/dbraw/zinc/50/14/38/323501438.db2.gz GEESFWMUEUZFQB-UHFFFAOYSA-N -1 1 349.368 2.744 20 5 EFBDMM C[C@@H](c1ccccc1)n1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000610746315 469059722 /nfs/dbraw/zinc/05/97/22/469059722.db2.gz YRBAZAQDWYSIST-NSHDSACASA-N -1 1 325.328 2.981 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)NCCc1n[n-]c(=S)n1C(C)C ZINC000067073353 471988940 /nfs/dbraw/zinc/98/89/40/471988940.db2.gz FPAGDHHTZPRPSF-UHFFFAOYSA-N -1 1 349.416 2.711 20 5 EFBDMM CCc1onc(C)c1[N-]C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000089397608 472426818 /nfs/dbraw/zinc/42/68/18/472426818.db2.gz ZGWDFOYZYFDOLS-UHFFFAOYSA-N -1 1 335.316 2.723 20 5 EFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)cc1 ZINC000032595399 472445730 /nfs/dbraw/zinc/44/57/30/472445730.db2.gz LNYIMOLALMCWIH-UHFFFAOYSA-N -1 1 344.352 2.581 20 5 EFBDMM O=C(Nc1ccncc1[O-])c1cc(Br)cc([N+](=O)[O-])c1 ZINC000128770881 472493699 /nfs/dbraw/zinc/49/36/99/472493699.db2.gz LIJXLKRCUXGDAW-UHFFFAOYSA-N -1 1 338.117 2.710 20 5 EFBDMM CC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000104759515 472691950 /nfs/dbraw/zinc/69/19/50/472691950.db2.gz DLBXPBXRANYAPX-SNVBAGLBSA-N -1 1 341.414 2.789 20 5 EFBDMM CCCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092399995 472906315 /nfs/dbraw/zinc/90/63/15/472906315.db2.gz OSUIDMJJYPQBEJ-KGLIPLIRSA-N -1 1 349.431 2.817 20 5 EFBDMM CCn1c(C2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)n[n-]c1=S ZINC000092652577 472952820 /nfs/dbraw/zinc/95/28/20/472952820.db2.gz QYKKPDQIBGRISF-UHFFFAOYSA-N -1 1 348.432 2.956 20 5 EFBDMM C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000164346804 473486744 /nfs/dbraw/zinc/48/67/44/473486744.db2.gz LJDQTRFQIFFAGS-GFCCVEGCSA-N -1 1 335.404 2.541 20 5 EFBDMM C[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC[C@@H]1c1ccccc1 ZINC000185737977 473500772 /nfs/dbraw/zinc/50/07/72/473500772.db2.gz SKWCIWJPUVINAT-WFASDCNBSA-N -1 1 341.367 2.961 20 5 EFBDMM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000126777106 473545070 /nfs/dbraw/zinc/54/50/70/473545070.db2.gz XJTGRRHRLBKPHQ-UHFFFAOYSA-N -1 1 338.389 2.707 20 5 EFBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(C2CCCC2)n[nH]1 ZINC000126819660 473549084 /nfs/dbraw/zinc/54/90/84/473549084.db2.gz FZQMJODKFRGIHM-UHFFFAOYSA-N -1 1 336.373 2.776 20 5 EFBDMM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])CO2 ZINC000152550704 473575629 /nfs/dbraw/zinc/57/56/29/473575629.db2.gz DPIDWOYRXUTODL-CYBMUJFWSA-N -1 1 348.380 2.624 20 5 EFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cccnc3N3CCCC3)no2)[n-]1 ZINC000274034427 473711630 /nfs/dbraw/zinc/71/16/30/473711630.db2.gz YRZJDHHKWHODLA-UHFFFAOYSA-N -1 1 326.316 2.635 20 5 EFBDMM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc(C2CC2)no1 ZINC000281472961 473733582 /nfs/dbraw/zinc/73/35/82/473733582.db2.gz OFQPNHKVDSSJFO-UHFFFAOYSA-N -1 1 345.311 2.874 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1CCc1ccccc1 ZINC000186988328 473794659 /nfs/dbraw/zinc/79/46/59/473794659.db2.gz REZOPEGWKCXDPM-OAHLLOKOSA-N -1 1 341.367 2.933 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1CCc1ccccc1 ZINC000186988305 473796041 /nfs/dbraw/zinc/79/60/41/473796041.db2.gz REZOPEGWKCXDPM-HNNXBMFYSA-N -1 1 341.367 2.933 20 5 EFBDMM O=C([N-]CC1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000281733121 473821169 /nfs/dbraw/zinc/82/11/69/473821169.db2.gz DPPZASKRWJPKMX-UHFFFAOYSA-N -1 1 349.284 2.629 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000281912279 473882823 /nfs/dbraw/zinc/88/28/23/473882823.db2.gz PYIIHDSTUCJWOO-UHFFFAOYSA-N -1 1 345.321 2.798 20 5 EFBDMM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[C@H]1c1ccccc1 ZINC000174236411 474010456 /nfs/dbraw/zinc/01/04/56/474010456.db2.gz BGJQUUNQWJRGOP-SWLSCSKDSA-N -1 1 341.367 2.961 20 5 EFBDMM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[C@@H]1c1ccccc1 ZINC000174236385 474010540 /nfs/dbraw/zinc/01/05/40/474010540.db2.gz BGJQUUNQWJRGOP-WFASDCNBSA-N -1 1 341.367 2.961 20 5 EFBDMM Cc1ccc(C[C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C)c1 ZINC000188451984 474100109 /nfs/dbraw/zinc/10/01/09/474100109.db2.gz PWBNBLMUCCNEPM-LBPRGKRZSA-N -1 1 329.356 2.673 20 5 EFBDMM COC(=O)c1cc([N-]C(=O)c2cc(C(C)C)no2)cc([N+](=O)[O-])c1 ZINC000265615074 474269629 /nfs/dbraw/zinc/26/96/29/474269629.db2.gz PBSHWMLQUGABKW-UHFFFAOYSA-N -1 1 333.300 2.745 20 5 EFBDMM CCOc1cc(CSc2nc(C(=O)OC)c[n-]2)ccc1[N+](=O)[O-] ZINC000278616739 474737662 /nfs/dbraw/zinc/73/76/62/474737662.db2.gz JJLYAJXUVBIBND-UHFFFAOYSA-N -1 1 337.357 2.796 20 5 EFBDMM COCc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000340897896 474760868 /nfs/dbraw/zinc/76/08/68/474760868.db2.gz KJLNUMGRDDQRAW-UHFFFAOYSA-N -1 1 336.369 2.850 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)n[nH]1 ZINC000322416563 474937431 /nfs/dbraw/zinc/93/74/31/474937431.db2.gz UIHJXZGDWVGSMY-UHFFFAOYSA-N -1 1 338.389 2.725 20 5 EFBDMM COC[C@@H](Cc1ccccc1)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339120491 474946695 /nfs/dbraw/zinc/94/66/95/474946695.db2.gz PSUUAZTZUQNEOD-MRXNPFEDSA-N -1 1 330.384 2.990 20 5 EFBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cc(C2CC2)n[nH]1 ZINC000268456199 474990326 /nfs/dbraw/zinc/99/03/26/474990326.db2.gz CKYGRSPEBLKTGT-UHFFFAOYSA-N -1 1 336.373 2.613 20 5 EFBDMM COCCN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCCSC1 ZINC000339220186 475052642 /nfs/dbraw/zinc/05/26/42/475052642.db2.gz XZRWCLYXDKPYLL-ZDUSSCGKSA-N -1 1 326.418 2.644 20 5 EFBDMM C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000286303098 475058560 /nfs/dbraw/zinc/05/85/60/475058560.db2.gz JRTIZQPRJSPCNC-SMDDNHRTSA-N -1 1 327.340 2.919 20 5 EFBDMM O=C(Nc1ccc(F)cc1OC1CCOCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000341558916 475142070 /nfs/dbraw/zinc/14/20/70/475142070.db2.gz PKWOVSFTSRWBGR-UHFFFAOYSA-N -1 1 349.318 2.872 20 5 EFBDMM CSc1ccccc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000337682376 475235578 /nfs/dbraw/zinc/23/55/78/475235578.db2.gz INGZQESSKDTAOO-VIFPVBQESA-N -1 1 333.369 2.908 20 5 EFBDMM Cc1ccccc1-c1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n(C)n1 ZINC000347355894 475260956 /nfs/dbraw/zinc/26/09/56/475260956.db2.gz IALNWGJLVLHQQC-UHFFFAOYSA-N -1 1 325.328 2.884 20 5 EFBDMM Cc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cccc1NC(=O)N(C)C ZINC000352411871 475268492 /nfs/dbraw/zinc/26/84/92/475268492.db2.gz ZRFRVTDCGNUULV-UHFFFAOYSA-N -1 1 331.332 2.577 20 5 EFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cccnc3OCC(F)F)no2)[n-]1 ZINC000357927868 475269104 /nfs/dbraw/zinc/26/91/04/475269104.db2.gz AHGJXEXIWUMWLL-UHFFFAOYSA-N -1 1 337.242 2.679 20 5 EFBDMM COC(=O)c1cc(F)cc([N-]C(=O)c2csc([N+](=O)[O-])c2)c1F ZINC000358000406 475322214 /nfs/dbraw/zinc/32/22/14/475322214.db2.gz PMJOMGPJTFOFRO-UHFFFAOYSA-N -1 1 342.279 2.973 20 5 EFBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1NC(=O)N(C)C ZINC000358437856 475679251 /nfs/dbraw/zinc/67/92/51/475679251.db2.gz BQRYGDXMCYTINX-UHFFFAOYSA-N -1 1 331.332 2.577 20 5 EFBDMM Cc1nc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[n-]c(=O)c1C ZINC000346719399 475797804 /nfs/dbraw/zinc/79/78/04/475797804.db2.gz AFBCDAIIMOKVNC-JTQLQIEISA-N -1 1 348.384 2.827 20 5 EFBDMM O=C([N-]c1cnns1)c1sc(Br)cc1[N+](=O)[O-] ZINC000362512486 476291709 /nfs/dbraw/zinc/29/17/09/476291709.db2.gz ATCHSRVSUCLYCS-UHFFFAOYSA-N -1 1 335.164 2.523 20 5 EFBDMM Cn1cnc([N+](=O)[O-])c1-c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000350900356 476311214 /nfs/dbraw/zinc/31/12/14/476311214.db2.gz LIUOGIVBBXICDL-UHFFFAOYSA-N -1 1 337.295 2.904 20 5 EFBDMM COc1cccc(OC)c1OCc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000357365663 476347572 /nfs/dbraw/zinc/34/75/72/476347572.db2.gz CECRQWHWORVSAA-UHFFFAOYSA-N -1 1 346.299 2.569 20 5 EFBDMM Cc1c(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)oc2ccc(F)cc12 ZINC000357438710 476383973 /nfs/dbraw/zinc/38/39/73/476383973.db2.gz XFJXZPDKJKTYGX-UHFFFAOYSA-N -1 1 345.286 2.819 20 5 EFBDMM CN(C)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Cl ZINC000352229666 476567249 /nfs/dbraw/zinc/56/72/49/476567249.db2.gz FUPPLKQCQNZVOE-UHFFFAOYSA-N -1 1 336.735 2.530 20 5 EFBDMM O=C(N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000369946645 476599258 /nfs/dbraw/zinc/59/92/58/476599258.db2.gz BROZHPZBHCRDSO-GMZHKTEUSA-N -1 1 349.293 2.650 20 5 EFBDMM CCc1nnc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)o1 ZINC000361129397 476622608 /nfs/dbraw/zinc/62/26/08/476622608.db2.gz PKVBYNBIUHHBSZ-UHFFFAOYSA-N -1 1 327.300 2.788 20 5 EFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@](F)(c2ccccc2F)C1 ZINC000374997102 476627199 /nfs/dbraw/zinc/62/71/99/476627199.db2.gz WHIRZCQVHFSLJL-MRXNPFEDSA-N -1 1 349.293 2.545 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@](F)(c2ccccc2F)C1 ZINC000370277086 476735676 /nfs/dbraw/zinc/73/56/76/476735676.db2.gz RGLLZDLOQAWFTQ-MRXNPFEDSA-N -1 1 349.293 2.545 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@](F)(c2ccccc2F)C1 ZINC000370277085 476735833 /nfs/dbraw/zinc/73/58/33/476735833.db2.gz RGLLZDLOQAWFTQ-INIZCTEOSA-N -1 1 349.293 2.545 20 5 EFBDMM COc1ccc([N+](=O)[O-])c(Cc2noc(-c3ccccc3[O-])n2)c1 ZINC000445571152 476750342 /nfs/dbraw/zinc/75/03/42/476750342.db2.gz LNQPLEBAAMHOCJ-UHFFFAOYSA-N -1 1 327.296 2.950 20 5 EFBDMM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000445699214 476760092 /nfs/dbraw/zinc/76/00/92/476760092.db2.gz ILBUSMXLBGAEES-VIFPVBQESA-N -1 1 340.323 2.850 20 5 EFBDMM CN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000413919111 476791812 /nfs/dbraw/zinc/79/18/12/476791812.db2.gz FEDPTPHNWJUPBS-UHFFFAOYSA-N -1 1 344.371 2.728 20 5 EFBDMM C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000390951137 476810202 /nfs/dbraw/zinc/81/02/02/476810202.db2.gz XLDRDJAWPZMJQR-ZANVPECISA-N -1 1 332.278 2.995 20 5 EFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H](c2ccccc2)C1 ZINC000452161285 476859523 /nfs/dbraw/zinc/85/95/23/476859523.db2.gz OFUBKVKKZSEJSI-ZDUSSCGKSA-N -1 1 327.340 2.715 20 5 EFBDMM CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000447055029 476944537 /nfs/dbraw/zinc/94/45/37/476944537.db2.gz DCOHKFKERJQMNR-UHFFFAOYSA-N -1 1 332.360 2.593 20 5 EFBDMM CC(C)c1nc2c([nH]1)CC[C@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C2 ZINC000376063671 477156911 /nfs/dbraw/zinc/15/69/11/477156911.db2.gz ADNFBYXVQMVUAZ-JTQLQIEISA-N -1 1 344.371 2.891 20 5 EFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000416562973 477218999 /nfs/dbraw/zinc/21/89/99/477218999.db2.gz XRHGJHQFITURKI-YWVKMMECSA-N -1 1 330.793 2.715 20 5 EFBDMM CC[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000416591760 477231857 /nfs/dbraw/zinc/23/18/57/477231857.db2.gz IAOPTJUGEMUECL-VIFPVBQESA-N -1 1 340.323 2.852 20 5 EFBDMM Cc1sc(S(=O)(=O)[N-]C[C@@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000416607213 477236745 /nfs/dbraw/zinc/23/67/45/477236745.db2.gz PFHNZXBOWRGLAW-LURJTMIESA-N -1 1 346.352 2.832 20 5 EFBDMM Cc1sc(S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000416607214 477238399 /nfs/dbraw/zinc/23/83/99/477238399.db2.gz PFHNZXBOWRGLAW-ZCFIWIBFSA-N -1 1 346.352 2.832 20 5 EFBDMM Cc1ccc([C@@H](C)NC(=O)C(=O)c2ccc([O-])cc2)cc1[N+](=O)[O-] ZINC000436942261 477643110 /nfs/dbraw/zinc/64/31/10/477643110.db2.gz UTQJJILALWLEEX-LLVKDONJSA-N -1 1 328.324 2.669 20 5 EFBDMM COc1ccc(CNCc2ccccc2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000426716948 477742367 /nfs/dbraw/zinc/74/23/67/477742367.db2.gz YXBMMJXULVCMBL-UHFFFAOYSA-N -1 1 330.340 2.520 20 5 EFBDMM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000439071466 477925370 /nfs/dbraw/zinc/92/53/70/477925370.db2.gz YYKAKJOFBDCYFF-UHFFFAOYSA-N -1 1 338.323 2.872 20 5 EFBDMM Cc1cc(C)cc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000440181604 478086675 /nfs/dbraw/zinc/08/66/75/478086675.db2.gz BYHUASJTTKBMAC-LBPRGKRZSA-N -1 1 329.356 2.673 20 5 EFBDMM C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Sc1ccccc1 ZINC000440326943 478103789 /nfs/dbraw/zinc/10/37/89/478103789.db2.gz PWGMBLBCZFPTGS-JTQLQIEISA-N -1 1 333.369 2.606 20 5 EFBDMM O=C(NCc1cc2c(s1)CCCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000562473127 478254223 /nfs/dbraw/zinc/25/42/23/478254223.db2.gz MMPHKSDSRLWYHW-UHFFFAOYSA-N -1 1 333.369 2.566 20 5 EFBDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000562551720 478267431 /nfs/dbraw/zinc/26/74/31/478267431.db2.gz SIZMZIKFXMOUGE-LLVKDONJSA-N -1 1 347.396 2.907 20 5 EFBDMM O=C(Nc1nc(C2CCC2)n[nH]1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000579357588 478278465 /nfs/dbraw/zinc/27/84/65/478278465.db2.gz ADBCVUJCSSHJKW-UHFFFAOYSA-N -1 1 337.723 2.592 20 5 EFBDMM O=C(Nc1n[nH]c(C2CCC2)n1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000579357588 478278471 /nfs/dbraw/zinc/27/84/71/478278471.db2.gz ADBCVUJCSSHJKW-UHFFFAOYSA-N -1 1 337.723 2.592 20 5 EFBDMM Cc1ccoc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000490302486 478328076 /nfs/dbraw/zinc/32/80/76/478328076.db2.gz UQZQQWRCUFFRCV-UHFFFAOYSA-N -1 1 330.749 2.628 20 5 EFBDMM CC1(C)CC([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC(C)(C)C1 ZINC000539636557 478423806 /nfs/dbraw/zinc/42/38/06/478423806.db2.gz DZUPXSPGMLPEQK-UHFFFAOYSA-N -1 1 341.433 2.873 20 5 EFBDMM COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C(C)=O)c2[O-])c1 ZINC000570718407 478428850 /nfs/dbraw/zinc/42/88/50/478428850.db2.gz ZIJJTPVRDPQUOU-UHFFFAOYSA-N -1 1 330.296 2.764 20 5 EFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@@H](OC3CCC3)C2)c1 ZINC000594585645 478448640 /nfs/dbraw/zinc/44/86/40/478448640.db2.gz NEXNQGOXTPJWAL-OAHLLOKOSA-N -1 1 334.372 2.827 20 5 EFBDMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C)c([N+](=O)[O-])c1)C1CCCC1 ZINC000594696263 478500746 /nfs/dbraw/zinc/50/07/46/478500746.db2.gz NHSCUWVRNRFKCZ-HNNXBMFYSA-N -1 1 342.417 2.850 20 5 EFBDMM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000564093987 478693120 /nfs/dbraw/zinc/69/31/20/478693120.db2.gz UXLBTEJOLJBNOW-KCJUWKMLSA-N -1 1 332.278 2.909 20 5 EFBDMM C[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1C(=O)[O-] ZINC000595279022 478711062 /nfs/dbraw/zinc/71/10/62/478711062.db2.gz BBIHAIKCGGVVDK-ABAIWWIYSA-N -1 1 345.355 2.792 20 5 EFBDMM C[C@]12CCN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000595279485 478711246 /nfs/dbraw/zinc/71/12/46/478711246.db2.gz QLJHUJHXLMBCRG-OCCSQVGLSA-N -1 1 326.299 2.770 20 5 EFBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000583993983 478988281 /nfs/dbraw/zinc/98/82/81/478988281.db2.gz HDMNYWCIJLYAOT-IUODEOHRSA-N -1 1 336.388 2.925 20 5 EFBDMM O=C(N[C@H](c1ccccc1)C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000514643373 479036300 /nfs/dbraw/zinc/03/63/00/479036300.db2.gz DFCINRSOAMVKKG-LLVKDONJSA-N -1 1 341.245 2.729 20 5 EFBDMM CC(C)(C)OC(=O)c1ccnc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000598911574 479082777 /nfs/dbraw/zinc/08/27/77/479082777.db2.gz HAJYOUKPGCYGKP-UHFFFAOYSA-N -1 1 333.300 2.790 20 5 EFBDMM O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611534889 479407596 /nfs/dbraw/zinc/40/75/96/479407596.db2.gz HCBGPMMWKILGFD-UHFFFAOYSA-N -1 1 346.730 2.760 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCS[C@H](c2ccccc2)C1 ZINC000593828111 479477329 /nfs/dbraw/zinc/47/73/29/479477329.db2.gz JVVKHQKJJNJIOL-AWEZNQCLSA-N -1 1 345.380 2.626 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCS[C@@H](c2ccccc2)C1 ZINC000593828112 479477919 /nfs/dbraw/zinc/47/79/19/479477919.db2.gz JVVKHQKJJNJIOL-CQSZACIVSA-N -1 1 345.380 2.626 20 5 EFBDMM O=C([O-])c1cc(N2CCN(Cc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000604474710 479522086 /nfs/dbraw/zinc/52/20/86/479522086.db2.gz VFYSLYDOJUQQJI-UHFFFAOYSA-N -1 1 347.396 2.677 20 5 EFBDMM C[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000618705106 479557606 /nfs/dbraw/zinc/55/76/06/479557606.db2.gz KZCHPIZJCVFIRK-LLVKDONJSA-N -1 1 327.406 2.627 20 5 EFBDMM O=C(Nc1c(=O)[nH][nH]c1-c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000590563896 479660086 /nfs/dbraw/zinc/66/00/86/479660086.db2.gz VLHLPHVHMGRCJV-UHFFFAOYSA-N -1 1 340.295 2.648 20 5 EFBDMM Cc1[n-][nH]c(=O)c1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000590565383 479660491 /nfs/dbraw/zinc/66/04/91/479660491.db2.gz MJZOJXWTLGVYSB-UHFFFAOYSA-N -1 1 342.764 2.716 20 5 EFBDMM CSc1ccncc1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000612735320 479745718 /nfs/dbraw/zinc/74/57/18/479745718.db2.gz GTLPFRJHBMLASJ-UHFFFAOYSA-N -1 1 339.398 2.654 20 5 EFBDMM Cc1ccc(CCC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c(C)c1 ZINC000610259680 480263789 /nfs/dbraw/zinc/26/37/89/480263789.db2.gz OHTKFPIVHUZULO-UHFFFAOYSA-N -1 1 349.412 2.518 20 5 EFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCCC1CCCCC1 ZINC000610260868 480264099 /nfs/dbraw/zinc/26/40/99/480264099.db2.gz WJMGLKRXVXORBF-UHFFFAOYSA-N -1 1 327.406 2.629 20 5 EFBDMM Cc1ccccc1[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)C ZINC000610263688 480265026 /nfs/dbraw/zinc/26/50/26/480265026.db2.gz ZDONYGXENRGAEH-HNNXBMFYSA-N -1 1 349.412 2.974 20 5 EFBDMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000121641322 519728425 /nfs/dbraw/zinc/72/84/25/519728425.db2.gz XHZIOFPTOYYSDY-UHFFFAOYSA-N -1 1 329.312 2.820 20 5 EFBDMM CC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1c(C)noc1C ZINC000119327236 522682174 /nfs/dbraw/zinc/68/21/74/522682174.db2.gz XACMVUXEOCPLGA-NSHDSACASA-N -1 1 339.373 2.629 20 5 EFBDMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC000120386500 525304439 /nfs/dbraw/zinc/30/44/39/525304439.db2.gz QFKYSZLCPOVUAN-UHFFFAOYSA-N -1 1 334.353 2.639 20 5 EFBDMM O=C(NCCCc1ccc(Cl)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188338415 526272356 /nfs/dbraw/zinc/27/23/56/526272356.db2.gz PQOYGWKJUWGHTQ-UHFFFAOYSA-N -1 1 335.747 2.711 20 5 EFBDMM Cc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)s1 ZINC000180843077 526368328 /nfs/dbraw/zinc/36/83/28/526368328.db2.gz MMRZRKLRHCRGGI-UHFFFAOYSA-N -1 1 330.272 2.608 20 5 EFBDMM CC(C)(C)C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(F)(F)F ZINC000187220493 527702114 /nfs/dbraw/zinc/70/21/14/527702114.db2.gz SXQGLJRKINTBNM-VIFPVBQESA-N -1 1 335.282 2.792 20 5 EFBDMM CCN(CC)[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccco1 ZINC000164402072 528245161 /nfs/dbraw/zinc/24/51/61/528245161.db2.gz OUYSFLYYJSYXAR-AWEZNQCLSA-N -1 1 347.371 2.706 20 5 EFBDMM CC(C)[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Nc1ccccc1 ZINC000186847162 528460988 /nfs/dbraw/zinc/46/09/88/528460988.db2.gz CFJSMKAEBGBONE-CQSZACIVSA-N -1 1 344.371 2.562 20 5 EFBDMM CC(C)[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Nc1ccccc1 ZINC000186847184 529012433 /nfs/dbraw/zinc/01/24/33/529012433.db2.gz CFJSMKAEBGBONE-AWEZNQCLSA-N -1 1 344.371 2.562 20 5 EFBDMM CCN(CCOc1ccccc1C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000422116137 535756334 /nfs/dbraw/zinc/75/63/34/535756334.db2.gz NEFOCPSCSDDQDJ-UHFFFAOYSA-N -1 1 345.355 2.545 20 5 EFBDMM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193627586 535772498 /nfs/dbraw/zinc/77/24/98/535772498.db2.gz NPPGUKHPAGHBDA-AWEZNQCLSA-N -1 1 329.356 2.789 20 5 EFBDMM COCCOc1cccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000356283493 536678230 /nfs/dbraw/zinc/67/82/30/536678230.db2.gz OJLRSZCNDUUUAA-UHFFFAOYSA-N -1 1 330.300 2.665 20 5 EFBDMM COC(=O)c1ccc([O-])c(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000436512025 536791907 /nfs/dbraw/zinc/79/19/07/536791907.db2.gz XCQJSXDINQCKAA-UHFFFAOYSA-N -1 1 344.323 2.658 20 5 EFBDMM Cc1c(Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cccc1[N+](=O)[O-] ZINC000762321954 576289561 /nfs/dbraw/zinc/28/95/61/576289561.db2.gz VQTYRFDSVLQEMI-UHFFFAOYSA-N -1 1 329.272 2.780 20 5 EFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccccc1 ZINC000725815979 577233010 /nfs/dbraw/zinc/23/30/10/577233010.db2.gz UAIZIUUJDQGRQQ-UHFFFAOYSA-N -1 1 340.788 2.769 20 5 EFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CC=CCC1 ZINC000725828414 577238263 /nfs/dbraw/zinc/23/82/63/577238263.db2.gz FDCHUYIZQCMEEP-JTQLQIEISA-N -1 1 330.793 2.883 20 5 EFBDMM CC(C)[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccn1 ZINC000768834215 577307272 /nfs/dbraw/zinc/30/72/72/577307272.db2.gz QIRILSUNHLXKDG-ZDUSSCGKSA-N -1 1 341.414 2.727 20 5 EFBDMM Cc1cccc(F)c1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768843459 577308579 /nfs/dbraw/zinc/30/85/79/577308579.db2.gz LQXSSRGNNGTJQW-UHFFFAOYSA-N -1 1 330.362 2.582 20 5 EFBDMM Cc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769050385 577328226 /nfs/dbraw/zinc/32/82/26/577328226.db2.gz UXHMDXUMOONZAE-LLVKDONJSA-N -1 1 344.323 2.793 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1CN[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738068658 577427297 /nfs/dbraw/zinc/42/72/97/577427297.db2.gz NLRHPDDVHMXHIU-HNNXBMFYSA-N -1 1 334.303 2.658 20 5 EFBDMM CN(C)Cc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1F ZINC000773241688 581409195 /nfs/dbraw/zinc/40/91/95/581409195.db2.gz MMLGGGSSBNOJQB-UHFFFAOYSA-N -1 1 333.319 2.753 20 5 EFBDMM C[C@@H](OC(=O)c1ccc([O-])cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000773563688 581445708 /nfs/dbraw/zinc/44/57/08/581445708.db2.gz DABOUFKLUJNQNM-SECBINFHSA-N -1 1 348.286 2.624 20 5 EFBDMM Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc([O-])cc1F ZINC000773569683 581446783 /nfs/dbraw/zinc/44/67/83/581446783.db2.gz LPFRZGJVYONGRX-UHFFFAOYSA-N -1 1 348.286 2.543 20 5 EFBDMM COCc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000774611259 581495142 /nfs/dbraw/zinc/49/51/42/581495142.db2.gz LTLASFIRDGSRGK-UHFFFAOYSA-N -1 1 340.332 2.681 20 5 EFBDMM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000736729204 600138110 /nfs/dbraw/zinc/13/81/10/600138110.db2.gz XUALNFVKGURLJC-ZYHUDNBSSA-N -1 1 346.343 2.502 20 5 EFBDMM Cc1cc(C[C@@H](C)Nc2ccc(C=CC(=O)[O-])cc2[N+](=O)[O-])[nH]n1 ZINC000832883110 604646877 /nfs/dbraw/zinc/64/68/77/604646877.db2.gz HYMVLYVZPOWSPD-AYYIZTPMSA-N -1 1 330.344 2.767 20 5 EFBDMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000820512675 606513321 /nfs/dbraw/zinc/51/33/21/606513321.db2.gz MWONRROVVSHQJL-QMMMGPOBSA-N -1 1 345.340 2.754 20 5 EFBDMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000820512675 606513323 /nfs/dbraw/zinc/51/33/23/606513323.db2.gz MWONRROVVSHQJL-QMMMGPOBSA-N -1 1 345.340 2.754 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1C[C@H]1C1CCCCC1 ZINC000823620951 606712786 /nfs/dbraw/zinc/71/27/86/606712786.db2.gz UOBVRKLJSXQLLX-RYUDHWBXSA-N -1 1 329.364 2.551 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1C[C@H]1C1CCCCC1 ZINC000823620951 606712787 /nfs/dbraw/zinc/71/27/87/606712787.db2.gz UOBVRKLJSXQLLX-RYUDHWBXSA-N -1 1 329.364 2.551 20 5 EFBDMM CC(C)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC000819983827 607166590 /nfs/dbraw/zinc/16/65/90/607166590.db2.gz GWDBGKXSYQZUEE-UHFFFAOYSA-N -1 1 339.359 2.560 20 5 EFBDMM CC(C)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1 ZINC000819983827 607166591 /nfs/dbraw/zinc/16/65/91/607166591.db2.gz GWDBGKXSYQZUEE-UHFFFAOYSA-N -1 1 339.359 2.560 20 5 EFBDMM C[C@@H]1CCC[C@H](C)[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000735081661 1267199038 /nfs/dbraw/zinc/19/90/38/1267199038.db2.gz MYCUOMOYYDPLJE-IWIIMEHWSA-N -1 1 330.381 2.837 20 5 EFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000742320670 1270000070 /nfs/dbraw/zinc/00/00/70/1270000070.db2.gz YRLGKHPEIGFZNN-IJLUTSLNSA-N -1 1 342.392 2.981 20 5 EFBDMM O=c1[n-]c2nc(=O)[nH]c(Nc3ncnc4cc5ccccc5cc43)c2[nH]1 ZINC001170218039 1278893742 /nfs/dbraw/zinc/89/37/42/1278893742.db2.gz PQSZEYFYSIOBFW-UHFFFAOYSA-N -1 1 345.322 2.556 20 5 EFBDMM O=c1[n-]c2nc(=O)[nH]c(Nc3ccc([N+](=O)[O-])c4ccccc34)c2[nH]1 ZINC001170219270 1278894052 /nfs/dbraw/zinc/89/40/52/1278894052.db2.gz MLCHFQSKNBXGNT-UHFFFAOYSA-N -1 1 338.283 2.521 20 5 EFBDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000819916017 1276946466 /nfs/dbraw/zinc/94/64/66/1276946466.db2.gz GJVVHVTVJXZSKQ-UHFFFAOYSA-N -1 1 345.359 2.531 20 5 EFBDMM CC1(C)CC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815045307 1287266431 /nfs/dbraw/zinc/26/64/31/1287266431.db2.gz QTFMZXSSWZTPKI-LLVKDONJSA-N -1 1 336.772 2.854 20 5 EFBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000820403804 1277149009 /nfs/dbraw/zinc/14/90/09/1277149009.db2.gz ZTVFTJCOPXPJLA-UHFFFAOYSA-N -1 1 345.359 2.575 20 5 EFBDMM CCN(Cc1cc([N+](=O)[O-])ccc1Br)[C@H](C)C(=O)[O-] ZINC000923252995 1277382556 /nfs/dbraw/zinc/38/25/56/1277382556.db2.gz GDUXVUIQRZAQDH-MRVPVSSYSA-N -1 1 331.166 2.652 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C12CCC(CC1)C2 ZINC000815032514 1287278388 /nfs/dbraw/zinc/27/83/88/1287278388.db2.gz HXWUBLUAMDXURQ-UHFFFAOYSA-N -1 1 348.783 2.998 20 5 EFBDMM CC(C)C1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815071877 1287296908 /nfs/dbraw/zinc/29/69/08/1287296908.db2.gz XZDVPRLLLSGQOV-UHFFFAOYSA-N -1 1 336.772 2.854 20 5 EFBDMM C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809808196 1281146499 /nfs/dbraw/zinc/14/64/99/1281146499.db2.gz JFMRGGNLKYREOF-RQJHMYQMSA-N -1 1 339.200 2.836 20 5 EFBDMM CCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809805389 1282471413 /nfs/dbraw/zinc/47/14/13/1282471413.db2.gz XAQICEDZVZCWKQ-UHFFFAOYSA-N -1 1 327.189 2.980 20 5 EFBDMM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809815912 1282477867 /nfs/dbraw/zinc/47/78/67/1282477867.db2.gz WPRGBSARUKSBBZ-GMSGAONNSA-N -1 1 336.772 2.854 20 5 EFBDMM O=c1[n-]nc([C@@H]2CCCN(c3nc4ccc([N+](=O)[O-])cc4s3)C2)o1 ZINC000811841225 1284673059 /nfs/dbraw/zinc/67/30/59/1284673059.db2.gz WUAFFNOFHZCTDA-MRVPVSSYSA-N -1 1 347.356 2.677 20 5 EFBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nc3cc(Cl)ccn3n2)c1F ZINC000813257988 1285767590 /nfs/dbraw/zinc/76/75/90/1285767590.db2.gz CGDWIYROYUEERN-UHFFFAOYSA-N -1 1 349.709 2.991 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C1CCCCC1 ZINC000814973606 1287195701 /nfs/dbraw/zinc/19/57/01/1287195701.db2.gz SZGPBPSSTFIELO-UHFFFAOYSA-N -1 1 336.772 2.998 20 5 EFBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccc(N3CCCC3)cc2)no1 ZINC001212893213 1290628616 /nfs/dbraw/zinc/62/86/16/1290628616.db2.gz RSPFGUWRYCHDDN-UHFFFAOYSA-N -1 1 326.316 2.635 20 5 EFBDMM O=C([O-])CCCN(Cc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000903603291 1312925801 /nfs/dbraw/zinc/92/58/01/1312925801.db2.gz NGZJCARXWJRENW-UHFFFAOYSA-N -1 1 329.356 2.857 20 5 EFBDMM CCOC[C@@H](C)Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234125280 1313061658 /nfs/dbraw/zinc/06/16/58/1313061658.db2.gz QFGKOMRZYKOUIW-SECBINFHSA-N -1 1 346.335 2.867 20 5 EFBDMM CC[C@@H](COC)Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234122979 1313061693 /nfs/dbraw/zinc/06/16/93/1313061693.db2.gz DAUUPXLUQZWOED-JTQLQIEISA-N -1 1 346.335 2.867 20 5 EFBDMM CO[C@H](C)CCOc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234125630 1313062612 /nfs/dbraw/zinc/06/26/12/1313062612.db2.gz UVLCGDZZVPGDMA-SECBINFHSA-N -1 1 346.335 2.867 20 5 EFBDMM CCOC(=O)[C@H](C)Oc1cc([O-])cc2oc3c(O)cccc3c(=O)c12 ZINC001234746832 1313188917 /nfs/dbraw/zinc/18/89/17/1313188917.db2.gz GJAACDYQNNPHGX-VIFPVBQESA-N -1 1 344.319 2.688 20 5 EFBDMM CCOC[C@H](C)Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234749942 1313189067 /nfs/dbraw/zinc/18/90/67/1313189067.db2.gz GRTODMANODJMGW-VIFPVBQESA-N -1 1 346.335 2.867 20 5 EFBDMM C[C@H](Oc1c([O-])cc(Br)cc1[N+](=O)[O-])c1cncnc1 ZINC001234877124 1313201784 /nfs/dbraw/zinc/20/17/84/1313201784.db2.gz LMSORVNWXVEXNT-ZETCQYMHSA-N -1 1 340.133 2.993 20 5 EFBDMM CCCOC(=O)[C@@H](C)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234878133 1313202459 /nfs/dbraw/zinc/20/24/59/1313202459.db2.gz ROGGSPUJRICWBK-SSDOTTSWSA-N -1 1 348.149 2.783 20 5 EFBDMM C[C@H](Oc1c([O-])cc(Br)cc1[N+](=O)[O-])c1ncccn1 ZINC001234881639 1313203164 /nfs/dbraw/zinc/20/31/64/1313203164.db2.gz QVEVBDPYRSPPKE-ZETCQYMHSA-N -1 1 340.133 2.993 20 5 EFBDMM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903903928 1313384619 /nfs/dbraw/zinc/38/46/19/1313384619.db2.gz GSYHIFKHOYZUOQ-RKDXNWHRSA-N -1 1 343.177 2.652 20 5 EFBDMM O=C1[C@@H]([N-]c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CCN1C1CCCCC1 ZINC000853991372 1300380431 /nfs/dbraw/zinc/38/04/31/1300380431.db2.gz NRMWLDNKEOISCC-LBPRGKRZSA-N -1 1 348.359 2.849 20 5 EFBDMM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000117375302 1301767804 /nfs/dbraw/zinc/76/78/04/1301767804.db2.gz FJBMEMPIVDHBOQ-ZJUUUORDSA-N -1 1 348.421 2.686 20 5 EFBDMM COc1ccc(C(=O)[N-]C(=O)CSc2cccc([N+](=O)[O-])c2)cc1 ZINC000800839138 1308525832 /nfs/dbraw/zinc/52/58/32/1308525832.db2.gz VNRHDYFODQKZIG-UHFFFAOYSA-N -1 1 346.364 2.652 20 5 EFBDMM Nc1cc(OCc2ccccc2)nn1-c1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393623 1314325447 /nfs/dbraw/zinc/32/54/47/1314325447.db2.gz WRJRUDWTMPBROQ-UHFFFAOYSA-N -1 1 326.312 2.647 20 5 EFBDMM Cc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)n(Cc2ccccn2)n1 ZINC001210396167 1314325666 /nfs/dbraw/zinc/32/56/66/1314325666.db2.gz LJTJIOGDXUCEII-UHFFFAOYSA-N -1 1 325.328 2.992 20 5 EFBDMM COC(=O)c1ccc(N(c2ccc([O-])c([N+](=O)[O-])c2)C2CC2)c(N)c1 ZINC001210398554 1314326704 /nfs/dbraw/zinc/32/67/04/1314326704.db2.gz IBANEVONHUBTRE-UHFFFAOYSA-N -1 1 343.339 2.970 20 5 EFBDMM CCOc1ccc(OCCOC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000780070980 1311052795 /nfs/dbraw/zinc/05/27/95/1311052795.db2.gz AXECVGUXHATLON-UHFFFAOYSA-N -1 1 347.323 2.935 20 5 EFBDMM COC[C@@]1(C(=O)[O-])CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000901866124 1311133816 /nfs/dbraw/zinc/13/38/16/1311133816.db2.gz URBWGCFPPXDBLQ-OAHLLOKOSA-N -1 1 342.779 2.561 20 5 EFBDMM COc1cccc(OCCOC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000780077426 1311229415 /nfs/dbraw/zinc/22/94/15/1311229415.db2.gz YLUNTSCDYIZGQP-UHFFFAOYSA-N -1 1 333.296 2.545 20 5 EFBDMM COC(=O)[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000780077275 1311266275 /nfs/dbraw/zinc/26/62/75/1311266275.db2.gz WOINDWVIPREUOB-AWEZNQCLSA-N -1 1 349.270 2.511 20 5 EFBDMM CC(C)C1(C(C)C)OC[C@@H](CCOc2[n-]ccc(=O)c2[N+](=O)[O-])O1 ZINC001225665367 1311561687 /nfs/dbraw/zinc/56/16/87/1311561687.db2.gz YCRWEVWYARLMKI-GFCCVEGCSA-N -1 1 340.376 2.888 20 5 EFBDMM O=[N+]([O-])c1c(O)ccnc1OC(=C([O-])c1ccco1)c1ccco1 ZINC001225666408 1311561877 /nfs/dbraw/zinc/56/18/77/1311561877.db2.gz IFIZUBIQVPEFOK-AWEZNQCLSA-N -1 1 330.252 2.884 20 5 EFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H]1CCCC[C@H]1F ZINC001226310150 1311645888 /nfs/dbraw/zinc/64/58/88/1311645888.db2.gz NDNJTPFNVSDHJY-ZJUUUORDSA-N -1 1 328.296 2.532 20 5 EFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](C)c1ccc(C)nc1 ZINC001226308998 1311646104 /nfs/dbraw/zinc/64/61/04/1311646104.db2.gz BOZGIECTVDQABT-SNVBAGLBSA-N -1 1 347.327 2.716 20 5 EFBDMM C[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1cc(-c2ccccc2)no1 ZINC001228141915 1311906238 /nfs/dbraw/zinc/90/62/38/1311906238.db2.gz WXDGAYZFEWWCRA-VIFPVBQESA-N -1 1 328.284 2.885 20 5 EFBDMM COc1ncc([N+](=O)[O-])c([N-][C@@H](c2cccnc2)C(F)(F)F)n1 ZINC001164175964 1312462410 /nfs/dbraw/zinc/46/24/10/1312462410.db2.gz MVPPAUGAIGIPIM-VIFPVBQESA-N -1 1 329.238 2.504 20 5 EFBDMM COc1ccc(OC[C@H](C)Oc2nc(C)cc([O-])c2[N+](=O)[O-])cc1 ZINC001231261454 1312465860 /nfs/dbraw/zinc/46/58/60/1312465860.db2.gz BHZZUMNUJZYZFQ-NSHDSACASA-N -1 1 334.328 2.859 20 5 EFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)c2cc(Br)no2)n1 ZINC001231263336 1312467044 /nfs/dbraw/zinc/46/70/44/1312467044.db2.gz JBAGRWJJZPDMOK-LURJTMIESA-N -1 1 344.121 2.894 20 5 EFBDMM O=C([N-]CCNc1cc2ccccc2c([N+](=O)[O-])c1)C(F)(F)F ZINC001164251110 1312478481 /nfs/dbraw/zinc/47/84/81/1312478481.db2.gz LIHOTMPTYWMPKA-UHFFFAOYSA-N -1 1 327.262 2.838 20 5 EFBDMM Cc1c([O-])cc(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)cc1F ZINC001216895703 1315021041 /nfs/dbraw/zinc/02/10/41/1315021041.db2.gz ZKPRTFITTUGUNG-UHFFFAOYSA-N -1 1 334.238 2.999 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nc3c(cc(F)c(F)c3F)[nH]2)c([O-])cc1O ZINC001251082133 1315320117 /nfs/dbraw/zinc/32/01/17/1315320117.db2.gz BXHKMBBZVAKSFP-UHFFFAOYSA-N -1 1 325.202 2.967 20 5 EFBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(Cl)c(F)c1 ZINC001253929745 1315652990 /nfs/dbraw/zinc/65/29/90/1315652990.db2.gz FSPOQSAYFCHPLX-SSDOTTSWSA-N -1 1 339.710 2.979 20 5 EFBDMM COc1ccc(C(=O)[C@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001325064728 1329668868 /nfs/dbraw/zinc/66/88/68/1329668868.db2.gz MHJQIKILYMQRQJ-JTQLQIEISA-N -1 1 345.307 2.737 20 5 EFBDMM C[C@H](C(=O)OCC(=O)c1ccc([O-])cc1O)c1cccc([N+](=O)[O-])c1 ZINC001343734641 1332374019 /nfs/dbraw/zinc/37/40/19/1332374019.db2.gz RSPUWGOHIJSCSP-JTQLQIEISA-N -1 1 345.307 2.536 20 5 EFBDMM C[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736237162 1426178360 /nfs/dbraw/zinc/17/83/60/1426178360.db2.gz NSOVGXGTSBAJRE-UHIISALHSA-N -1 1 328.376 2.932 20 5 EFBDMM CC(C)(C)[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000819907004 1428421885 /nfs/dbraw/zinc/42/18/85/1428421885.db2.gz KKRWCHXJJJBAQS-NSHDSACASA-N -1 1 345.407 2.823 20 5 EFBDMM Cc1ccc(-c2nnn[n-]2)cc1OCCOc1cccc([N+](=O)[O-])c1 ZINC000822221389 1428705283 /nfs/dbraw/zinc/70/52/83/1428705283.db2.gz MUBGGUIKBDENNW-UHFFFAOYSA-N -1 1 341.327 2.541 20 5 EFBDMM CC(C)C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC000824243211 1428921138 /nfs/dbraw/zinc/92/11/38/1428921138.db2.gz FCPQQHNCFBFBJQ-QWHCGFSZSA-N -1 1 346.391 2.781 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC1CC(c2ccccc2)C1 ZINC000823620717 1429120840 /nfs/dbraw/zinc/12/08/40/1429120840.db2.gz OWGOCSGOXRPLEB-UHFFFAOYSA-N -1 1 337.343 2.528 20 5 EFBDMM COc1ccc(COc2ccc(-c3nnn[n-]3)cc2C)cc1[N+](=O)[O-] ZINC000737098667 1429246557 /nfs/dbraw/zinc/24/65/57/1429246557.db2.gz XHTJBSJZWIMOPG-UHFFFAOYSA-N -1 1 341.327 2.671 20 5 EFBDMM Cc1ccc(OCc2cccc(-c3nnn[n-]3)c2F)c([N+](=O)[O-])c1 ZINC000826292115 1429247802 /nfs/dbraw/zinc/24/78/02/1429247802.db2.gz IWCIPWWZKWHYBV-UHFFFAOYSA-N -1 1 329.291 2.801 20 5 EFBDMM CCS[C@@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821455634 1423637535 /nfs/dbraw/zinc/63/75/35/1423637535.db2.gz KVMFVFKBYIXMGN-MWLCHTKSSA-N -1 1 349.420 2.646 20 5 EFBDMM O=[N+]([O-])c1cc(N2CCC[C@H](C(F)(F)F)C2)ccc1-c1nnn[n-]1 ZINC000826498273 1423797752 /nfs/dbraw/zinc/79/77/52/1423797752.db2.gz NXXSSTFPNRCUGV-QMMMGPOBSA-N -1 1 342.281 2.554 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCC1(CCO)CCCCC1 ZINC000823629765 1423988838 /nfs/dbraw/zinc/98/88/38/1423988838.db2.gz GQQWWDBPSWZTSS-UHFFFAOYSA-N -1 1 346.391 2.520 20 5 EFBDMM C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)Oc1ccccc1 ZINC000736025486 1423991928 /nfs/dbraw/zinc/99/19/28/1423991928.db2.gz HSQXOMWNFMQAOI-LLVKDONJSA-N -1 1 340.343 2.654 20 5 EFBDMM Cc1csc([C@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC000737455808 1424120618 /nfs/dbraw/zinc/12/06/18/1424120618.db2.gz XLWQDNKXUPTKHM-QMMMGPOBSA-N -1 1 331.361 2.713 20 5 EFBDMM C[C@H]1c2ccsc2CCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820825689 1424335082 /nfs/dbraw/zinc/33/50/82/1424335082.db2.gz BEQAYPQGMGQRFE-VIFPVBQESA-N -1 1 342.384 2.960 20 5 EFBDMM CCC(CC)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736345842 1429750198 /nfs/dbraw/zinc/75/01/98/1429750198.db2.gz MMXLIOUTBCQSTD-UHFFFAOYSA-N -1 1 327.348 2.924 20 5 EFBDMM Cc1cccc2c1CC[C@@H]2Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822340993 1424941687 /nfs/dbraw/zinc/94/16/87/1424941687.db2.gz PWAAIZUOIWDWFQ-ZDUSSCGKSA-N -1 1 337.343 2.578 20 5 EFBDMM CCN(CCC(F)(F)F)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736536420 1429763312 /nfs/dbraw/zinc/76/33/12/1429763312.db2.gz CNDYCUHFGDADPX-UHFFFAOYSA-N -1 1 330.270 2.554 20 5 EFBDMM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512490 1425255562 /nfs/dbraw/zinc/25/55/62/1425255562.db2.gz LNMMVQGUKMFYMR-MRVPVSSYSA-N -1 1 345.340 2.754 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc(Cl)c(F)c1 ZINC000826497579 1425614014 /nfs/dbraw/zinc/61/40/14/1425614014.db2.gz MIFLAKZYCSSWPS-UHFFFAOYSA-N -1 1 336.670 2.755 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCCOC2CCCCC2)cc1-c1nnn[n-]1 ZINC000826498614 1425652394 /nfs/dbraw/zinc/65/23/94/1425652394.db2.gz CQUTXBNDDPDGER-UHFFFAOYSA-N -1 1 346.391 2.926 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](CCO)C1CCCCC1 ZINC000738357654 1425987315 /nfs/dbraw/zinc/98/73/15/1425987315.db2.gz HQNDHWYIZHQJAM-CYBMUJFWSA-N -1 1 346.391 2.518 20 5 EFBDMM COc1ccc(-c2nnn[n-]2)cc1COc1ccc(F)cc1[N+](=O)[O-] ZINC000821749227 1426590503 /nfs/dbraw/zinc/59/05/03/1426590503.db2.gz AWCBLDAQKMDVHJ-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM O=[N+]([O-])c1cc(NCCc2ccc(F)cc2)ccc1-c1nnn[n-]1 ZINC000823634228 1426791725 /nfs/dbraw/zinc/79/17/25/1426791725.db2.gz FAECZLVWHFXWRJ-UHFFFAOYSA-N -1 1 328.307 2.569 20 5 EFBDMM CC(C)n1cc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1 ZINC000736140452 1427103193 /nfs/dbraw/zinc/10/31/93/1427103193.db2.gz WIVZEZBVWFVBPB-SNVBAGLBSA-N -1 1 342.363 2.725 20 5 EFBDMM C[C@@H](NCc1cc(-c2nn[n-]n2)cs1)c1ccccc1[N+](=O)[O-] ZINC000824611902 1427280921 /nfs/dbraw/zinc/28/09/21/1427280921.db2.gz FSEHABOUXVBOLC-SECBINFHSA-N -1 1 330.373 2.687 20 5 EFBDMM C[C@@H](NCc1cc(-c2nnn[n-]2)cs1)c1ccccc1[N+](=O)[O-] ZINC000824611902 1427280927 /nfs/dbraw/zinc/28/09/27/1427280927.db2.gz FSEHABOUXVBOLC-SECBINFHSA-N -1 1 330.373 2.687 20 5 EFBDMM O=[N+]([O-])c1cnc(N[C@@H]2CCCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000823651958 1427498978 /nfs/dbraw/zinc/49/89/78/1427498978.db2.gz SYNBRXFDSIUNGN-CQSZACIVSA-N -1 1 337.343 2.659 20 5 EFBDMM CC(C)[C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000735750685 1427567261 /nfs/dbraw/zinc/56/72/61/1427567261.db2.gz RWFXORWHBQKWJX-MNOVXSKESA-N -1 1 331.380 2.797 20 5 EFBDMM C[C@@H]1CCCC[C@@H]1CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820697851 1427744568 /nfs/dbraw/zinc/74/45/68/1427744568.db2.gz NDDYZJMEPHGOHY-GHMZBOCLSA-N -1 1 331.380 2.798 20 5 EFBDMM CS[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000737178920 1427753053 /nfs/dbraw/zinc/75/30/53/1427753053.db2.gz GBRVFKKRJJQXQM-GHMZBOCLSA-N -1 1 334.405 2.861 20 5 EFBDMM COc1cc(-c2nnn[n-]2)ccc1COc1cccc([N+](=O)[O-])c1C ZINC000826173084 1427891793 /nfs/dbraw/zinc/89/17/93/1427891793.db2.gz MHWBJMCAOSGYSQ-UHFFFAOYSA-N -1 1 341.327 2.671 20 5 EFBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H]2CCCC[C@H]21 ZINC000824992075 1427962711 /nfs/dbraw/zinc/96/27/11/1427962711.db2.gz JNAYCNLIIYYYID-SCDSUCTJSA-N -1 1 328.376 2.790 20 5 EFBDMM Cc1c(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cccc1N(C)C ZINC000826242837 1428203443 /nfs/dbraw/zinc/20/34/43/1428203443.db2.gz IKNRERJRDCDTFL-UHFFFAOYSA-N -1 1 339.359 2.893 20 5 EFBDMM C[C@H](NCc1cc(-c2nnn[n-]2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000820426382 1429798677 /nfs/dbraw/zinc/79/86/77/1429798677.db2.gz JESHZYNFWXQNMF-JTQLQIEISA-N -1 1 342.334 2.765 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000823621061 1429939923 /nfs/dbraw/zinc/93/99/23/1429939923.db2.gz WDDYOLJKFIHZCL-OUAUKWLOSA-N -1 1 329.364 2.551 20 5 EFBDMM O=[N+]([O-])c1cnc(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c(-c2nnn[n-]2)c1 ZINC000823652201 1430005325 /nfs/dbraw/zinc/00/53/25/1430005325.db2.gz WLQPDBVTSMSIDE-SDDRHHMPSA-N -1 1 343.391 2.941 20 5 EFBDMM O=[N+]([O-])c1ccc(CCCCNc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000823634937 1441701978 /nfs/dbraw/zinc/70/19/78/1441701978.db2.gz OUKRGBQTPGTIRT-UHFFFAOYSA-N -1 1 339.359 2.605 20 5 EFBDMM Cc1cc(Oc2snc(Cl)c2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826271774 1441775962 /nfs/dbraw/zinc/77/59/62/1441775962.db2.gz GURFERSCZWYGBC-UHFFFAOYSA-N -1 1 338.736 2.986 20 5 EFBDMM CS[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737180456 1441906126 /nfs/dbraw/zinc/90/61/26/1441906126.db2.gz QWRRRWPALXFEPV-GXSJLCMTSA-N -1 1 334.405 2.861 20 5 EFBDMM O=[N+]([O-])c1ccc(Oc2ccc(-n3cccn3)cc2)c(-c2nn[n-]n2)c1 ZINC000738367343 1442057656 /nfs/dbraw/zinc/05/76/56/1442057656.db2.gz RCKPORWSOGFGFG-UHFFFAOYSA-N -1 1 349.310 2.753 20 5 EFBDMM CCCO[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736489565 1442099459 /nfs/dbraw/zinc/09/94/59/1442099459.db2.gz WJQPCKSWWPIBOB-CYBMUJFWSA-N -1 1 346.391 2.560 20 5 EFBDMM O=[N+]([O-])c1cccc(-c2cnn(Cc3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000826499690 1442145273 /nfs/dbraw/zinc/14/52/73/1442145273.db2.gz SIPNDNDQONTEFF-UHFFFAOYSA-N -1 1 347.338 2.687 20 5 EFBDMM O=[N+]([O-])c1ccc(CCCCNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000738359699 1442400064 /nfs/dbraw/zinc/40/00/64/1442400064.db2.gz MCNVDFDYUBEFED-UHFFFAOYSA-N -1 1 339.359 2.605 20 5 EFBDMM CC(=O)c1ccc(OCc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000824029361 1442404094 /nfs/dbraw/zinc/40/40/94/1442404094.db2.gz IZSGAACYDFZLNJ-UHFFFAOYSA-N -1 1 339.311 2.557 20 5 EFBDMM COc1ccc(COc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000821823864 1443093858 /nfs/dbraw/zinc/09/38/58/1443093858.db2.gz FCZNTBQXKUARRM-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCCNc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000738368988 1443130177 /nfs/dbraw/zinc/13/01/77/1443130177.db2.gz HKURCXUWEMFQMO-UHFFFAOYSA-N -1 1 339.359 2.689 20 5 EFBDMM Cc1ccnc(Sc2ccc(-c3nnn[n-]3)cc2F)c1[N+](=O)[O-] ZINC000822379049 1443350284 /nfs/dbraw/zinc/35/02/84/1443350284.db2.gz JLSLSUAHHTWIEP-UHFFFAOYSA-N -1 1 332.320 2.769 20 5 EFBDMM Cc1c(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)cccc1[N+](=O)[O-] ZINC000822130297 1443408290 /nfs/dbraw/zinc/40/82/90/1443408290.db2.gz SPQSRVOUNPLAJZ-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]2CCCC[C@@H]12 ZINC000824992072 1443499427 /nfs/dbraw/zinc/49/94/27/1443499427.db2.gz JNAYCNLIIYYYID-OSMZGAPFSA-N -1 1 328.376 2.790 20 5 EFBDMM Cc1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)c([N+](=O)[O-])c1 ZINC000822254616 1443563280 /nfs/dbraw/zinc/56/32/80/1443563280.db2.gz OBLHNPPZUIITAL-UHFFFAOYSA-N -1 1 328.307 2.835 20 5 EFBDMM O=[N+]([O-])c1ccc(NCc2cc(F)ccc2F)c(-c2nnn[n-]2)c1 ZINC000738368975 1443727936 /nfs/dbraw/zinc/72/79/36/1443727936.db2.gz GWIARCLBKCBHOU-UHFFFAOYSA-N -1 1 332.270 2.665 20 5 EFBDMM O=C(CSc1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000823071013 1443759891 /nfs/dbraw/zinc/75/98/91/1443759891.db2.gz XNENYUJLTJGOCD-UHFFFAOYSA-N -1 1 341.352 2.750 20 5 EFBDMM C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824618606 1443894591 /nfs/dbraw/zinc/89/45/91/1443894591.db2.gz QCBGOARYUXTNNI-SNVBAGLBSA-N -1 1 342.334 2.765 20 5 EFBDMM CC[C@H](C)CN(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820869599 1443907022 /nfs/dbraw/zinc/90/70/22/1443907022.db2.gz IFYFKMOPZPABMT-JTQLQIEISA-N -1 1 341.375 2.805 20 5 EFBDMM Cc1noc(C)c1[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737536240 1443966063 /nfs/dbraw/zinc/96/60/63/1443966063.db2.gz GAQUOFRAJFTMSP-SSDOTTSWSA-N -1 1 329.320 2.553 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1ccc2c(c1)CCC2 ZINC000823630271 1446199543 /nfs/dbraw/zinc/19/95/43/1446199543.db2.gz VANSWBBRNMXTGW-UHFFFAOYSA-N -1 1 340.368 2.810 20 5 EFBDMM CC(C)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cccs1 ZINC000819983748 1446203038 /nfs/dbraw/zinc/20/30/38/1446203038.db2.gz DKZNKASHTIFECP-UHFFFAOYSA-N -1 1 345.388 2.621 20 5 EFBDMM Cc1nc([C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cs1 ZINC000737471101 1446399480 /nfs/dbraw/zinc/39/94/80/1446399480.db2.gz NZJXQAFCOFNIGT-ZETCQYMHSA-N -1 1 331.361 2.713 20 5 EFBDMM CO[C@H](C)c1cccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821673428 1446418566 /nfs/dbraw/zinc/41/85/66/1446418566.db2.gz AXCDORVVWYAMLN-SECBINFHSA-N -1 1 341.331 2.621 20 5 EFBDMM CN(CCc1ccccc1F)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736805732 1446555192 /nfs/dbraw/zinc/55/51/92/1446555192.db2.gz JHIPKHVIQPWXEH-UHFFFAOYSA-N -1 1 342.334 2.593 20 5 EFBDMM O=[N+]([O-])c1cnc(Oc2cccc3c2CCCC3)c(-c2nnn[n-]2)c1 ZINC000823652160 1446698768 /nfs/dbraw/zinc/69/87/68/1446698768.db2.gz WDJMEOVAJFBDQV-UHFFFAOYSA-N -1 1 338.327 2.841 20 5 EFBDMM COc1ccc(COc2cc(F)cc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826207288 1446883985 /nfs/dbraw/zinc/88/39/85/1446883985.db2.gz IEJGBNGSWQOLAZ-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(C2CCCC2)CC1 ZINC000823620846 1447147168 /nfs/dbraw/zinc/14/71/68/1447147168.db2.gz RBYAEEYDDDBRDW-UHFFFAOYSA-N -1 1 343.391 2.577 20 5 EFBDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000826252933 1447272256 /nfs/dbraw/zinc/27/22/56/1447272256.db2.gz YTBHMXLZTRJBGE-UHFFFAOYSA-N -1 1 345.340 2.502 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCCC2(CCCCC2)C1 ZINC000823620457 1449008582 /nfs/dbraw/zinc/00/85/82/1449008582.db2.gz LDIRAYOTEMQZJW-UHFFFAOYSA-N -1 1 343.391 2.721 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1cc(F)ccc1F ZINC000823630309 1449070464 /nfs/dbraw/zinc/07/04/64/1449070464.db2.gz WNJWRVBTOIHAKF-UHFFFAOYSA-N -1 1 336.283 2.599 20 5 EFBDMM CC[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccncc1 ZINC000820924913 1449089603 /nfs/dbraw/zinc/08/96/03/1449089603.db2.gz BTOWXORYJFDVBF-GFCCVEGCSA-N -1 1 325.332 2.733 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737372679 1449202863 /nfs/dbraw/zinc/20/28/63/1449202863.db2.gz HUTSYPOUKTXPQS-UHFFFAOYSA-N -1 1 329.291 2.801 20 5 EFBDMM CCCO[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000736489663 1450080939 /nfs/dbraw/zinc/08/09/39/1450080939.db2.gz ZELOTSGZAZGHKN-CYBMUJFWSA-N -1 1 346.391 2.560 20 5 EFBDMM COc1ccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(F)c1 ZINC000821821706 1450186179 /nfs/dbraw/zinc/18/61/79/1450186179.db2.gz SCBYZGUMPWWYLX-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CCc2c1cccc2O ZINC000823630021 1450342713 /nfs/dbraw/zinc/34/27/13/1450342713.db2.gz PWKXNYJVPLIKLN-LBPRGKRZSA-N -1 1 338.327 2.580 20 5 EFBDMM Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c(F)c1 ZINC000179624728 717816169 /nfs/dbraw/zinc/81/61/69/717816169.db2.gz VDYVXRDTNXQGDL-UHFFFAOYSA-N -1 1 328.296 2.982 20 5 EFBDMM Cc1ccc(C2=CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)cc1 ZINC000016499084 721781242 /nfs/dbraw/zinc/78/12/42/721781242.db2.gz YZFJJKNBCFBSBY-UHFFFAOYSA-N -1 1 339.351 2.933 20 5 EFBDMM O=C([N-]c1n[nH]c(-c2cccs2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000917514275 728752959 /nfs/dbraw/zinc/75/29/59/728752959.db2.gz FWJZXFRWEHGNIM-UHFFFAOYSA-N -1 1 333.304 2.833 20 5 EFBDMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)c([N+](=O)[O-])c1 ZINC000055555693 727945492 /nfs/dbraw/zinc/94/54/92/727945492.db2.gz MTOICNSVAPHIAX-UHFFFAOYSA-N -1 1 328.296 2.982 20 5 EFBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cnn(-c2ccccc2)n1 ZINC000060517237 728376074 /nfs/dbraw/zinc/37/60/74/728376074.db2.gz JXXBGCGYWREHNB-UHFFFAOYSA-N -1 1 327.275 2.567 20 5 EFBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2)ccc1[N+](=O)[O-] ZINC000172192922 728573575 /nfs/dbraw/zinc/57/35/75/728573575.db2.gz PKXITGVJCDRSAV-UHFFFAOYSA-N -1 1 335.385 2.770 20 5 EFBDMM CN1CCCc2ccc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3)cc21 ZINC000179643556 729602792 /nfs/dbraw/zinc/60/27/92/729602792.db2.gz KOHXCCLSQIXBJW-UHFFFAOYSA-N -1 1 347.396 2.778 20 5 EFBDMM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC001589280293 953495621 /nfs/dbraw/zinc/49/56/21/953495621.db2.gz CIBBAIWLUQYALD-DGCLKSJQSA-N -1 1 345.355 2.792 20 5 EFBDMM CCN(Cc1cccc([N+](=O)[O-])c1Br)[C@@H](C)C(=O)[O-] ZINC000707972597 954989797 /nfs/dbraw/zinc/98/97/97/954989797.db2.gz NYGJYXZFYKTNIL-QMMMGPOBSA-N -1 1 331.166 2.652 20 5 EFBDMM CC[C@@]1(C(=O)[O-])CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001573822710 960978724 /nfs/dbraw/zinc/97/87/24/960978724.db2.gz ROBDMOVWAMSONU-MRXNPFEDSA-N -1 1 332.360 2.548 20 5 EFBDMM COc1cc(CN2CCCC[C@H]2CC(=O)[O-])c([N+](=O)[O-])cc1F ZINC001604709613 973912747 /nfs/dbraw/zinc/91/27/47/973912747.db2.gz ZWSAZTRNQFOORH-NSHDSACASA-N -1 1 326.324 2.572 20 5 EFBDMM CCC(CC)(CC(=O)[O-])C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC001595048657 979266922 /nfs/dbraw/zinc/26/69/22/979266922.db2.gz FLIPEGOERAXCHD-UHFFFAOYSA-N -1 1 325.317 2.625 20 5 EFBDMM Cc1ccc(CN2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000872161399 980049512 /nfs/dbraw/zinc/04/95/12/980049512.db2.gz ZAWZYFRVUBIFMX-CYBMUJFWSA-N -1 1 332.278 2.742 20 5 EFBDMM O=C([O-])c1cccc2c1OCCN(CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000903920682 981038896 /nfs/dbraw/zinc/03/88/96/981038896.db2.gz GOVSYTZHIQSQCS-UHFFFAOYSA-N -1 1 342.351 2.730 20 5 EFBDMM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC001589522081 987173984 /nfs/dbraw/zinc/17/39/84/987173984.db2.gz ZPNKELCTIXWNAJ-VIFPVBQESA-N -1 1 330.296 2.741 20 5 EFBDMM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001591312957 992274283 /nfs/dbraw/zinc/27/42/83/992274283.db2.gz FRWRTTUSWLJUTB-UHFFFAOYSA-N -1 1 338.360 2.509 20 5 EFBDMM COc1ccc([C@H](NCc2ccc([N+](=O)[O-])c(OC)c2)C(=O)[O-])cc1 ZINC001599531283 997657771 /nfs/dbraw/zinc/65/77/71/997657771.db2.gz JGOXCBKOWNKYQO-INIZCTEOSA-N -1 1 346.339 2.528 20 5 EFBDMM CC(C)c1nc(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C(=O)[O-])cs1 ZINC001116778950 1126145865 /nfs/dbraw/zinc/14/58/65/1126145865.db2.gz BFATWRQUMMIMIR-ZDUSSCGKSA-N -1 1 349.412 2.960 20 5 EFBDMM COc1ccccc1Sc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001580083951 1090768531 /nfs/dbraw/zinc/76/85/31/1090768531.db2.gz XXLTWIRFUXTGGE-UHFFFAOYSA-N -1 1 329.341 2.935 20 5 EFBDMM COc1ccccc1Sc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001580083951 1090768534 /nfs/dbraw/zinc/76/85/34/1090768534.db2.gz XXLTWIRFUXTGGE-UHFFFAOYSA-N -1 1 329.341 2.935 20 5 EFBDMM CC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1 ZINC001588878643 1093000095 /nfs/dbraw/zinc/00/00/95/1093000095.db2.gz LSDNRLDQCDQJHZ-UHFFFAOYSA-N -1 1 340.299 2.526 20 5 EFBDMM CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC001588878643 1093000104 /nfs/dbraw/zinc/00/01/04/1093000104.db2.gz LSDNRLDQCDQJHZ-UHFFFAOYSA-N -1 1 340.299 2.526 20 5 EFBDMM CC(C)(C)C1=CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC001589095930 1093027466 /nfs/dbraw/zinc/02/74/66/1093027466.db2.gz IXAXCMNEJJIXNT-UHFFFAOYSA-N -1 1 328.376 2.958 20 5 EFBDMM CC(C)(C)C(F)(F)CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589093405 1093027806 /nfs/dbraw/zinc/02/78/06/1093027806.db2.gz YRZJLNQZRWGUJO-UHFFFAOYSA-N -1 1 326.307 2.868 20 5 EFBDMM CC(C)(C)C(F)(F)CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589093405 1093027815 /nfs/dbraw/zinc/02/78/15/1093027815.db2.gz YRZJLNQZRWGUJO-UHFFFAOYSA-N -1 1 326.307 2.868 20 5 EFBDMM CC(C)(C)[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCO1 ZINC001589099596 1093030204 /nfs/dbraw/zinc/03/02/04/1093030204.db2.gz PGVDTQDMRMYIGT-SMDDNHRTSA-N -1 1 346.391 2.781 20 5 EFBDMM CC(C)(C)c1coc(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC001589233886 1093053878 /nfs/dbraw/zinc/05/38/78/1093053878.db2.gz JXZZDYXEKVLGLH-UHFFFAOYSA-N -1 1 347.360 2.607 20 5 EFBDMM CC(C)(C)c1coc(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC001589233886 1093053882 /nfs/dbraw/zinc/05/38/82/1093053882.db2.gz JXZZDYXEKVLGLH-UHFFFAOYSA-N -1 1 347.360 2.607 20 5 EFBDMM CC(C)(CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccncc1 ZINC001589293311 1093068879 /nfs/dbraw/zinc/06/88/79/1093068879.db2.gz UIDDIEFLTFHPAS-UHFFFAOYSA-N -1 1 339.359 2.560 20 5 EFBDMM CC(C)(CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccncc1 ZINC001589293311 1093068888 /nfs/dbraw/zinc/06/88/88/1093068888.db2.gz UIDDIEFLTFHPAS-UHFFFAOYSA-N -1 1 339.359 2.560 20 5 EFBDMM CC(C)CC1(C)CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001589566285 1093106607 /nfs/dbraw/zinc/10/66/07/1093106607.db2.gz PNCUDECJGZUVFX-UHFFFAOYSA-N -1 1 345.407 2.823 20 5 EFBDMM CC(C)CC1(C)CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001589566285 1093106612 /nfs/dbraw/zinc/10/66/12/1093106612.db2.gz PNCUDECJGZUVFX-UHFFFAOYSA-N -1 1 345.407 2.823 20 5 EFBDMM C[C@H](CCc1ccco1)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589836765 1093158458 /nfs/dbraw/zinc/15/84/58/1093158458.db2.gz RCSVPWFZNFICDG-SNVBAGLBSA-N -1 1 328.332 2.801 20 5 EFBDMM C[C@H](CCc1ccco1)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589836765 1093158459 /nfs/dbraw/zinc/15/84/59/1093158459.db2.gz RCSVPWFZNFICDG-SNVBAGLBSA-N -1 1 328.332 2.801 20 5 EFBDMM C[C@H](CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)Oc1ccccc1 ZINC001589876760 1093162349 /nfs/dbraw/zinc/16/23/49/1093162349.db2.gz PTYDENVATTZGSK-LLVKDONJSA-N -1 1 340.343 2.654 20 5 EFBDMM C[C@@]1(C(F)(F)F)CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001590072141 1093249517 /nfs/dbraw/zinc/24/95/17/1093249517.db2.gz DPAHZQKRPWSDRF-GFCCVEGCSA-N -1 1 342.281 2.554 20 5 EFBDMM C[C@@]1(C(F)(F)F)CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001590072141 1093249523 /nfs/dbraw/zinc/24/95/23/1093249523.db2.gz DPAHZQKRPWSDRF-GFCCVEGCSA-N -1 1 342.281 2.554 20 5 EFBDMM CC1(C)CC2(CC(Nc3cccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)CO1 ZINC001590088388 1093260083 /nfs/dbraw/zinc/26/00/83/1093260083.db2.gz XFVVHYRIAZACCO-UHFFFAOYSA-N -1 1 344.375 2.535 20 5 EFBDMM CC1(C)CC2(CC(Nc3cccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)CO1 ZINC001590088388 1093260088 /nfs/dbraw/zinc/26/00/88/1093260088.db2.gz XFVVHYRIAZACCO-UHFFFAOYSA-N -1 1 344.375 2.535 20 5 EFBDMM C[C@H]1[C@H](C(F)(F)F)CCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590167107 1093293754 /nfs/dbraw/zinc/29/37/54/1093293754.db2.gz KSMHYIJLHSXPDV-OIBJUYFYSA-N -1 1 342.281 2.552 20 5 EFBDMM C[C@H]1[C@@H](C(F)(F)F)CCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590167109 1093295018 /nfs/dbraw/zinc/29/50/18/1093295018.db2.gz KSMHYIJLHSXPDV-XVKPBYJWSA-N -1 1 342.281 2.552 20 5 EFBDMM C[C@@H]1CC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001590237962 1093324109 /nfs/dbraw/zinc/32/41/09/1093324109.db2.gz RELULAYACQSXPW-KXUCPTDWSA-N -1 1 331.380 2.594 20 5 EFBDMM C[C@@H]1CC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001590237962 1093324113 /nfs/dbraw/zinc/32/41/13/1093324113.db2.gz RELULAYACQSXPW-KXUCPTDWSA-N -1 1 331.380 2.594 20 5 EFBDMM C[C@@H]1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC12CCC2 ZINC001590275067 1093356087 /nfs/dbraw/zinc/35/60/87/1093356087.db2.gz UHRCEGZNSODLFE-LLVKDONJSA-N -1 1 328.376 2.791 20 5 EFBDMM C[C@@H]1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC12CCC2 ZINC001590275067 1093356093 /nfs/dbraw/zinc/35/60/93/1093356093.db2.gz UHRCEGZNSODLFE-LLVKDONJSA-N -1 1 328.376 2.791 20 5 EFBDMM C[C@H]1c2ccccc2CCN1c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590339620 1093383854 /nfs/dbraw/zinc/38/38/54/1093383854.db2.gz XCVWUSQWAFTPFM-VIFPVBQESA-N -1 1 342.384 2.960 20 5 EFBDMM C[C@H]1c2ccccc2CCN1c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590339620 1093383864 /nfs/dbraw/zinc/38/38/64/1093383864.db2.gz XCVWUSQWAFTPFM-VIFPVBQESA-N -1 1 342.384 2.960 20 5 EFBDMM CC[C@@H](CC(F)(F)F)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590421200 1093414251 /nfs/dbraw/zinc/41/42/51/1093414251.db2.gz HSIZLGVHSVTBCK-ZETCQYMHSA-N -1 1 330.270 2.918 20 5 EFBDMM CCC(O)(CC)C(C)(C)CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590474232 1093446148 /nfs/dbraw/zinc/44/61/48/1093446148.db2.gz BJFGQGNYBDOQTP-UHFFFAOYSA-N -1 1 348.407 2.764 20 5 EFBDMM CCC(O)(CC)C(C)(C)CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590474232 1093446154 /nfs/dbraw/zinc/44/61/54/1093446154.db2.gz BJFGQGNYBDOQTP-UHFFFAOYSA-N -1 1 348.407 2.764 20 5 EFBDMM CCCO[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001590641238 1093528654 /nfs/dbraw/zinc/52/86/54/1093528654.db2.gz OQLJHPPOZUYZBV-CYBMUJFWSA-N -1 1 346.391 2.560 20 5 EFBDMM CCCO[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001590641238 1093528661 /nfs/dbraw/zinc/52/86/61/1093528661.db2.gz OQLJHPPOZUYZBV-CYBMUJFWSA-N -1 1 346.391 2.560 20 5 EFBDMM CCS[C@H]1CCCCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001590852892 1093598727 /nfs/dbraw/zinc/59/87/27/1093598727.db2.gz RPWWGJPROSAYOG-NSHDSACASA-N -1 1 348.432 2.887 20 5 EFBDMM CCS[C@H]1CCCCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001590852892 1093598732 /nfs/dbraw/zinc/59/87/32/1093598732.db2.gz RPWWGJPROSAYOG-NSHDSACASA-N -1 1 348.432 2.887 20 5 EFBDMM COc1cc(C)cc(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001591520371 1093748990 /nfs/dbraw/zinc/74/89/90/1093748990.db2.gz UXZUGOHJNGLJMH-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM COc1cc(C)cc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001591520371 1093748993 /nfs/dbraw/zinc/74/89/93/1093748993.db2.gz UXZUGOHJNGLJMH-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM COc1ccc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)c(C)c1 ZINC001591601281 1093787172 /nfs/dbraw/zinc/78/71/72/1093787172.db2.gz HOAGVFUYFCYQNN-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM COc1ccc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)c(C)c1 ZINC001591601281 1093787180 /nfs/dbraw/zinc/78/71/80/1093787180.db2.gz HOAGVFUYFCYQNN-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM CS[C@@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001591689385 1093824118 /nfs/dbraw/zinc/82/41/18/1093824118.db2.gz FEDLHSDFXGGBGP-GXSJLCMTSA-N -1 1 334.405 2.861 20 5 EFBDMM CS[C@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001591689470 1093825301 /nfs/dbraw/zinc/82/53/01/1093825301.db2.gz FEDLHSDFXGGBGP-ONGXEEELSA-N -1 1 334.405 2.861 20 5 EFBDMM CS[C@@H]1CCCCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001591690630 1093826328 /nfs/dbraw/zinc/82/63/28/1093826328.db2.gz POHLQPRNSOAFRJ-MRVPVSSYSA-N -1 1 340.434 2.558 20 5 EFBDMM CS[C@@H]1CCCCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001591690630 1093826333 /nfs/dbraw/zinc/82/63/33/1093826333.db2.gz POHLQPRNSOAFRJ-MRVPVSSYSA-N -1 1 340.434 2.558 20 5 EFBDMM CS[C@H]1CC[C@@H](Nc2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001591689728 1093826878 /nfs/dbraw/zinc/82/68/78/1093826878.db2.gz HNIPMYZABPZXFM-KOLCDFICSA-N -1 1 334.405 2.779 20 5 EFBDMM CS[C@H]1CC[C@@H](Nc2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001591689728 1093826884 /nfs/dbraw/zinc/82/68/84/1093826884.db2.gz HNIPMYZABPZXFM-KOLCDFICSA-N -1 1 334.405 2.779 20 5 EFBDMM CSCC1(CCNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001591697749 1093831115 /nfs/dbraw/zinc/83/11/15/1093831115.db2.gz VAUPBCLBWIBTTE-UHFFFAOYSA-N -1 1 334.405 2.720 20 5 EFBDMM CSCC1(CCNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001591697749 1093831122 /nfs/dbraw/zinc/83/11/22/1093831122.db2.gz VAUPBCLBWIBTTE-UHFFFAOYSA-N -1 1 334.405 2.720 20 5 EFBDMM Cc1cc(F)ccc1CN(C)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591992764 1093949959 /nfs/dbraw/zinc/94/99/59/1093949959.db2.gz VWOWFFFHNIFZAX-UHFFFAOYSA-N -1 1 342.334 2.859 20 5 EFBDMM Cc1cc(NC[C@@H]2C[C@H]2C(F)(F)F)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592051218 1093966858 /nfs/dbraw/zinc/96/68/58/1093966858.db2.gz HKRPNBCNWUWUFA-OIBJUYFYSA-N -1 1 342.281 2.694 20 5 EFBDMM Cc1cc(NC[C@@H]2C[C@H]2C(F)(F)F)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592051218 1093966861 /nfs/dbraw/zinc/96/68/61/1093966861.db2.gz HKRPNBCNWUWUFA-OIBJUYFYSA-N -1 1 342.281 2.694 20 5 EFBDMM Cc1cc(Oc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC001592063017 1093971737 /nfs/dbraw/zinc/97/17/37/1093971737.db2.gz SEMCXAOFNNTGPJ-UHFFFAOYSA-N -1 1 342.271 2.784 20 5 EFBDMM Cc1cc(Oc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC001592063017 1093971742 /nfs/dbraw/zinc/97/17/42/1093971742.db2.gz SEMCXAOFNNTGPJ-UHFFFAOYSA-N -1 1 342.271 2.784 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1Oc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001592197939 1094024820 /nfs/dbraw/zinc/02/48/20/1094024820.db2.gz OZMAQPDNUMZUHM-UHFFFAOYSA-N -1 1 338.736 2.986 20 5 EFBDMM Cc1ccc2c(c1)CCN(c1ccc([N+](=O)[O-])c(-c3nnn[n-]3)c1)C2 ZINC001592204213 1094029893 /nfs/dbraw/zinc/02/98/93/1094029893.db2.gz UUJONYKDMUHWAS-UHFFFAOYSA-N -1 1 336.355 2.646 20 5 EFBDMM Cc1ccc2c(c1)CCN(c1ccc([N+](=O)[O-])c(-c3nn[n-]n3)c1)C2 ZINC001592204213 1094029899 /nfs/dbraw/zinc/02/98/99/1094029899.db2.gz UUJONYKDMUHWAS-UHFFFAOYSA-N -1 1 336.355 2.646 20 5 EFBDMM Cc1cnc([C@H](C)Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)s1 ZINC001592293019 1094068253 /nfs/dbraw/zinc/06/82/53/1094068253.db2.gz URPXHHQLNJVJSL-QMMMGPOBSA-N -1 1 331.361 2.713 20 5 EFBDMM Nc1cc(N2CCC3(C2)CCCCC3)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592760300 1094185891 /nfs/dbraw/zinc/18/58/91/1094185891.db2.gz WITCQTJACJRVIB-UHFFFAOYSA-N -1 1 343.391 2.518 20 5 EFBDMM Nc1cc(N2CCC3(C2)CCCCC3)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592760300 1094185893 /nfs/dbraw/zinc/18/58/93/1094185893.db2.gz WITCQTJACJRVIB-UHFFFAOYSA-N -1 1 343.391 2.518 20 5 EFBDMM O=[N+]([O-])c1c(NCCCc2cccc(F)c2)cccc1-c1nnn[n-]1 ZINC001593464887 1094308230 /nfs/dbraw/zinc/30/82/30/1094308230.db2.gz ACFXFTAUBLLMCD-UHFFFAOYSA-N -1 1 342.334 2.959 20 5 EFBDMM O=[N+]([O-])c1c(NCCCc2cccc(F)c2)cccc1-c1nn[n-]n1 ZINC001593464887 1094308237 /nfs/dbraw/zinc/30/82/37/1094308237.db2.gz ACFXFTAUBLLMCD-UHFFFAOYSA-N -1 1 342.334 2.959 20 5 EFBDMM O=[N+]([O-])c1c(NCCCc2cccs2)cccc1-c1nnn[n-]1 ZINC001593465208 1094308307 /nfs/dbraw/zinc/30/83/07/1094308307.db2.gz JMSVLASEECSKJT-UHFFFAOYSA-N -1 1 330.373 2.881 20 5 EFBDMM O=[N+]([O-])c1c(NCCCc2cccs2)cccc1-c1nn[n-]n1 ZINC001593465208 1094308315 /nfs/dbraw/zinc/30/83/15/1094308315.db2.gz JMSVLASEECSKJT-UHFFFAOYSA-N -1 1 330.373 2.881 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001593466877 1094309578 /nfs/dbraw/zinc/30/95/78/1094309578.db2.gz NIOPPJMZCPIJJG-MRVPVSSYSA-N -1 1 342.281 2.554 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001593466877 1094309585 /nfs/dbraw/zinc/30/95/85/1094309585.db2.gz NIOPPJMZCPIJJG-MRVPVSSYSA-N -1 1 342.281 2.554 20 5 EFBDMM O=[N+]([O-])c1c(NCCc2cc3ccccc3[nH]2)cccc1-c1nnn[n-]1 ZINC001593465611 1094309723 /nfs/dbraw/zinc/30/97/23/1094309723.db2.gz QQXWNBNRMXNFIJ-UHFFFAOYSA-N -1 1 349.354 2.911 20 5 EFBDMM O=[N+]([O-])c1c(NCCc2cc3ccccc3[nH]2)cccc1-c1nn[n-]n1 ZINC001593465611 1094309730 /nfs/dbraw/zinc/30/97/30/1094309730.db2.gz QQXWNBNRMXNFIJ-UHFFFAOYSA-N -1 1 349.354 2.911 20 5 EFBDMM O=[N+]([O-])c1c(N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cccc1-c1nnn[n-]1 ZINC001593468341 1094312049 /nfs/dbraw/zinc/31/20/49/1094312049.db2.gz DLXNTMPRQWTRJZ-NWANDNLSSA-N -1 1 334.339 2.525 20 5 EFBDMM O=[N+]([O-])c1c(N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cccc1-c1nn[n-]n1 ZINC001593468341 1094312057 /nfs/dbraw/zinc/31/20/57/1094312057.db2.gz DLXNTMPRQWTRJZ-NWANDNLSSA-N -1 1 334.339 2.525 20 5 EFBDMM O=[N+]([O-])c1cc(N2CCS[C@H]3CCCC[C@@H]32)ccc1-c1nn[n-]n1 ZINC001593470599 1094314001 /nfs/dbraw/zinc/31/40/01/1094314001.db2.gz GDYBVRLGHRNVOW-JSGCOSHPSA-N -1 1 346.416 2.639 20 5 EFBDMM O=[N+]([O-])c1cc(N[C@@H](c2cccnc2)C2CC2)ccc1-c1nn[n-]n1 ZINC001593474069 1094318019 /nfs/dbraw/zinc/31/80/19/1094318019.db2.gz OQSFLMOSNVPOIJ-OAHLLOKOSA-N -1 1 337.343 2.733 20 5 EFBDMM O=[N+]([O-])c1cc(NCC[C@H]2CCC3(CCC3)O2)ccc1-c1nn[n-]n1 ZINC001593474544 1094318138 /nfs/dbraw/zinc/31/81/38/1094318138.db2.gz SGRKHSJDCBLHMC-GFCCVEGCSA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1cc(N[C@H]2CCOC3(CCCC3)C2)ccc1-c1nn[n-]n1 ZINC001593474522 1094318280 /nfs/dbraw/zinc/31/82/80/1094318280.db2.gz RLLVXLGTRFRGIB-LBPRGKRZSA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1cc(NCCc2cc(F)ccc2F)ccc1-c1nn[n-]n1 ZINC001593473393 1094318793 /nfs/dbraw/zinc/31/87/93/1094318793.db2.gz ANQPGDQMEGTEQB-UHFFFAOYSA-N -1 1 346.297 2.708 20 5 EFBDMM O=[N+]([O-])c1cc(NCCC[C@@H]2CCCCO2)ccc1-c1nn[n-]n1 ZINC001593474955 1094320754 /nfs/dbraw/zinc/32/07/54/1094320754.db2.gz WDMHIZHBNYURON-LBPRGKRZSA-N -1 1 332.364 2.536 20 5 EFBDMM O=[N+]([O-])c1ccc(NCc2cccc3cccnc32)cc1-c1nnn[n-]1 ZINC001593479193 1094322476 /nfs/dbraw/zinc/32/24/76/1094322476.db2.gz YIHGLVZRDNSACH-UHFFFAOYSA-N -1 1 347.338 2.935 20 5 EFBDMM O=[N+]([O-])c1ccc(NCc2cccc3cccnc32)cc1-c1nn[n-]n1 ZINC001593479193 1094322482 /nfs/dbraw/zinc/32/24/82/1094322482.db2.gz YIHGLVZRDNSACH-UHFFFAOYSA-N -1 1 347.338 2.935 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCCc2ccccc2F)cc1-c1nnn[n-]1 ZINC001593478517 1094322874 /nfs/dbraw/zinc/32/28/74/1094322874.db2.gz UWMGXMIDJUPNGJ-UHFFFAOYSA-N -1 1 342.334 2.959 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCCc2ccccc2F)cc1-c1nn[n-]n1 ZINC001593478517 1094322882 /nfs/dbraw/zinc/32/28/82/1094322882.db2.gz UWMGXMIDJUPNGJ-UHFFFAOYSA-N -1 1 342.334 2.959 20 5 EFBDMM O=[N+]([O-])c1ccc(NCc2cc(F)ccc2F)cc1-c1nnn[n-]1 ZINC001593479126 1094324128 /nfs/dbraw/zinc/32/41/28/1094324128.db2.gz VNYMPTFIYWBNTJ-UHFFFAOYSA-N -1 1 332.270 2.665 20 5 EFBDMM O=[N+]([O-])c1ccc(NCc2cc(F)ccc2F)cc1-c1nn[n-]n1 ZINC001593479126 1094324136 /nfs/dbraw/zinc/32/41/36/1094324136.db2.gz VNYMPTFIYWBNTJ-UHFFFAOYSA-N -1 1 332.270 2.665 20 5 EFBDMM O=[N+]([O-])c1ccc(Oc2cncc(-c3nnn[n-]3)n2)c2ccccc21 ZINC001593479646 1094324793 /nfs/dbraw/zinc/32/47/93/1094324793.db2.gz OYOUWYJEOVRTDG-UHFFFAOYSA-N -1 1 335.283 2.510 20 5 EFBDMM O=[N+]([O-])c1ccc(Oc2cncc(-c3nn[n-]n3)n2)c2ccccc21 ZINC001593479646 1094324801 /nfs/dbraw/zinc/32/48/01/1094324801.db2.gz OYOUWYJEOVRTDG-UHFFFAOYSA-N -1 1 335.283 2.510 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCc1noc2ccccc12 ZINC001593487730 1094329016 /nfs/dbraw/zinc/32/90/16/1094329016.db2.gz GVGYRMOIYJHNDD-UHFFFAOYSA-N -1 1 343.328 2.590 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCc1noc2ccccc12 ZINC001593487730 1094329024 /nfs/dbraw/zinc/32/90/24/1094329024.db2.gz GVGYRMOIYJHNDD-UHFFFAOYSA-N -1 1 343.328 2.590 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NC1(C(F)F)CCCC1 ZINC001593488161 1094329357 /nfs/dbraw/zinc/32/93/57/1094329357.db2.gz PTEXJFOVCDFFGO-UHFFFAOYSA-N -1 1 330.320 2.826 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NC1(C(F)F)CCCC1 ZINC001593488161 1094329363 /nfs/dbraw/zinc/32/93/63/1094329363.db2.gz PTEXJFOVCDFFGO-UHFFFAOYSA-N -1 1 330.320 2.826 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001593487627 1094329391 /nfs/dbraw/zinc/32/93/91/1094329391.db2.gz KCXSDYIJUJRLBA-ZCFIWIBFSA-N -1 1 348.310 2.615 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001593487627 1094329396 /nfs/dbraw/zinc/32/93/96/1094329396.db2.gz KCXSDYIJUJRLBA-ZCFIWIBFSA-N -1 1 348.310 2.615 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@H]1C[C@@H]1c1ccccc1 ZINC001593488898 1094329992 /nfs/dbraw/zinc/32/99/92/1094329992.db2.gz OGRZKPRCZOXQPF-ZJUUUORDSA-N -1 1 328.357 2.804 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@H]1C[C@@H]1c1ccccc1 ZINC001593488898 1094330005 /nfs/dbraw/zinc/33/00/05/1094330005.db2.gz OGRZKPRCZOXQPF-ZJUUUORDSA-N -1 1 328.357 2.804 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCC[C@@H]1CCCS1 ZINC001593487231 1094330167 /nfs/dbraw/zinc/33/01/67/1094330167.db2.gz ADJMCMFKSUGYNU-ZETCQYMHSA-N -1 1 326.407 2.534 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCC[C@@H]1CCCS1 ZINC001593487231 1094330184 /nfs/dbraw/zinc/33/01/84/1094330184.db2.gz ADJMCMFKSUGYNU-ZETCQYMHSA-N -1 1 326.407 2.534 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@@H]1C[C@@H]1c1ccccc1 ZINC001593488893 1094330582 /nfs/dbraw/zinc/33/05/82/1094330582.db2.gz OGRZKPRCZOXQPF-NXEZZACHSA-N -1 1 328.357 2.804 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@@H]1C[C@@H]1c1ccccc1 ZINC001593488893 1094330588 /nfs/dbraw/zinc/33/05/88/1094330588.db2.gz OGRZKPRCZOXQPF-NXEZZACHSA-N -1 1 328.357 2.804 20 5 EFBDMM Cc1ccc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC001600418634 1095051319 /nfs/dbraw/zinc/05/13/19/1095051319.db2.gz CCPCULKJMYGFTA-QGZVFWFLSA-N -1 1 329.356 2.696 20 5 EFBDMM Cc1ccc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC001600418633 1095051873 /nfs/dbraw/zinc/05/18/73/1095051873.db2.gz CCPCULKJMYGFTA-KRWDZBQOSA-N -1 1 329.356 2.696 20 5 EFBDMM O=C([O-])C[C@@]1(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCOC1 ZINC001601936461 1095983529 /nfs/dbraw/zinc/98/35/29/1095983529.db2.gz SMKMXZHHYLJNNV-ZDUSSCGKSA-N -1 1 349.170 2.625 20 5 EFBDMM O=C([O-])COc1ccc(CN[C@@H]2CCCc3occc32)cc1[N+](=O)[O-] ZINC001602084342 1096052446 /nfs/dbraw/zinc/05/24/46/1096052446.db2.gz YXCZNAIZOXLFLH-CYBMUJFWSA-N -1 1 346.339 2.818 20 5 EFBDMM O=C([O-])COc1ccc(CNc2cc3c(cn2)CCC3)cc1[N+](=O)[O-] ZINC001602085020 1096053257 /nfs/dbraw/zinc/05/32/57/1096053257.db2.gz QYSWSSHDEPOICU-UHFFFAOYSA-N -1 1 343.339 2.554 20 5 EFBDMM O=C([O-])c1cc(-c2ccc([C@H]3COCCN3)cc2)cc([N+](=O)[O-])c1 ZINC001602236716 1096132230 /nfs/dbraw/zinc/13/22/30/1096132230.db2.gz KIKMQIXJUVGNFB-MRXNPFEDSA-N -1 1 328.324 2.621 20 5 EFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN[C@@H](CCO)c2cccs2)c1 ZINC001602404323 1096223793 /nfs/dbraw/zinc/22/37/93/1096223793.db2.gz VFBVRGFFOVCRMD-LBPRGKRZSA-N -1 1 336.369 2.568 20 5 EFBDMM CC(C)(C)C(F)(F)CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603061050 1096428721 /nfs/dbraw/zinc/42/87/21/1096428721.db2.gz TYNIMVAHCAKFML-UHFFFAOYSA-N -1 1 326.307 2.868 20 5 EFBDMM CC(C)(C)C(F)(F)CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603061050 1096428727 /nfs/dbraw/zinc/42/87/27/1096428727.db2.gz TYNIMVAHCAKFML-UHFFFAOYSA-N -1 1 326.307 2.868 20 5 EFBDMM CC(C)CCn1ccc(Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)n1 ZINC001603284731 1096495846 /nfs/dbraw/zinc/49/58/46/1096495846.db2.gz NBIZUJLDOSZCCA-UHFFFAOYSA-N -1 1 342.363 2.761 20 5 EFBDMM C[C@H]1CCC[C@H](CNc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001603887934 1096658576 /nfs/dbraw/zinc/65/85/76/1096658576.db2.gz TYZLSMPQEGIXEQ-UWVGGRQHSA-N -1 1 331.380 2.595 20 5 EFBDMM C[C@H]1CCC[C@H](CNc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001603887934 1096658579 /nfs/dbraw/zinc/65/85/79/1096658579.db2.gz TYZLSMPQEGIXEQ-UWVGGRQHSA-N -1 1 331.380 2.595 20 5 EFBDMM C[C@@H]1CCCC[C@H]1OCCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001603890931 1096660966 /nfs/dbraw/zinc/66/09/66/1096660966.db2.gz OSQPVNCFXNDIQJ-BXUZGUMPSA-N -1 1 346.391 2.782 20 5 EFBDMM C[C@@H]1CCCC[C@H]1OCCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001603890931 1096660969 /nfs/dbraw/zinc/66/09/69/1096660969.db2.gz OSQPVNCFXNDIQJ-BXUZGUMPSA-N -1 1 346.391 2.782 20 5 EFBDMM CC[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1c(C)noc1C ZINC001604063655 1096716376 /nfs/dbraw/zinc/71/63/76/1096716376.db2.gz JRWJBRJRGYIDSM-GFCCVEGCSA-N -1 1 343.347 2.943 20 5 EFBDMM CC[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1c(C)noc1C ZINC001604063655 1096716385 /nfs/dbraw/zinc/71/63/85/1096716385.db2.gz JRWJBRJRGYIDSM-GFCCVEGCSA-N -1 1 343.347 2.943 20 5 EFBDMM C[C@](NCc1cc(F)ccc1[N+](=O)[O-])(C(=O)[O-])c1ccc(F)cc1 ZINC001604340668 1096820877 /nfs/dbraw/zinc/82/08/77/1096820877.db2.gz DPSZOYSZSVMWDJ-MRXNPFEDSA-N -1 1 336.294 2.963 20 5 EFBDMM CCOc1ccc(Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cc1 ZINC001604464094 1096868747 /nfs/dbraw/zinc/86/87/47/1096868747.db2.gz XVPCVVWMUGZSLA-UHFFFAOYSA-N -1 1 332.345 2.979 20 5 EFBDMM CCOc1ccc(Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cc1 ZINC001604464094 1096868749 /nfs/dbraw/zinc/86/87/49/1096868749.db2.gz XVPCVVWMUGZSLA-UHFFFAOYSA-N -1 1 332.345 2.979 20 5 EFBDMM CN(Cc1cc2ccccc2[nH]1)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001604800546 1096958734 /nfs/dbraw/zinc/95/87/34/1096958734.db2.gz JSEOREBTZZGWCU-UHFFFAOYSA-N -1 1 349.354 2.893 20 5 EFBDMM CN(Cc1cc2ccccc2[nH]1)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001604800546 1096958741 /nfs/dbraw/zinc/95/87/41/1096958741.db2.gz JSEOREBTZZGWCU-UHFFFAOYSA-N -1 1 349.354 2.893 20 5 EFBDMM CS[C@H]1CC[C@@H](N(C)c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001605372928 1097108348 /nfs/dbraw/zinc/10/83/48/1097108348.db2.gz VRINLXFRHPXCMY-SFYZADRCSA-N -1 1 340.434 2.557 20 5 EFBDMM CS[C@H]1CC[C@@H](N(C)c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001605372928 1097108352 /nfs/dbraw/zinc/10/83/52/1097108352.db2.gz VRINLXFRHPXCMY-SFYZADRCSA-N -1 1 340.434 2.557 20 5 EFBDMM C[C@H](OC(=O)c1csc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC001605442914 1097125634 /nfs/dbraw/zinc/12/56/34/1097125634.db2.gz VKNNEWPQNURQBA-QMMMGPOBSA-N -1 1 345.340 2.754 20 5 EFBDMM C[C@H](OC(=O)c1csc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC001605442914 1097125635 /nfs/dbraw/zinc/12/56/35/1097125635.db2.gz VKNNEWPQNURQBA-QMMMGPOBSA-N -1 1 345.340 2.754 20 5 EFBDMM C[C@H]1c2ccccc2C[C@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001605448273 1097127073 /nfs/dbraw/zinc/12/70/73/1097127073.db2.gz TVOLLPYZXCMKSX-GZMMTYOYSA-N -1 1 342.384 2.977 20 5 EFBDMM C[C@H]1c2ccccc2C[C@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001605448273 1097127077 /nfs/dbraw/zinc/12/70/77/1097127077.db2.gz TVOLLPYZXCMKSX-GZMMTYOYSA-N -1 1 342.384 2.977 20 5 EFBDMM Cc1cc(NCCCC(F)(F)F)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605729617 1097209743 /nfs/dbraw/zinc/20/97/43/1097209743.db2.gz KQJPDVVQAPTJIC-UHFFFAOYSA-N -1 1 330.270 2.838 20 5 EFBDMM Cc1cc(NCCCC(F)(F)F)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605729617 1097209748 /nfs/dbraw/zinc/20/97/48/1097209748.db2.gz KQJPDVVQAPTJIC-UHFFFAOYSA-N -1 1 330.270 2.838 20 5 EFBDMM Cc1ccc(F)c(CN(C)c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001605862411 1097257979 /nfs/dbraw/zinc/25/79/79/1097257979.db2.gz ILHAKXDGPZILOS-UHFFFAOYSA-N -1 1 342.334 2.859 20 5 EFBDMM Cc1ccc(F)c(CN(C)c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001605862411 1097257982 /nfs/dbraw/zinc/25/79/82/1097257982.db2.gz ILHAKXDGPZILOS-UHFFFAOYSA-N -1 1 342.334 2.859 20 5 EFBDMM O=[N+]([O-])c1cc(N2CCc3c2c(F)ccc3F)ccc1-c1nn[n-]n1 ZINC001607078544 1097506267 /nfs/dbraw/zinc/50/62/67/1097506267.db2.gz FXROBJWLQYLKEJ-UHFFFAOYSA-N -1 1 344.281 2.747 20 5 EFBDMM O=[N+]([O-])c1cc(NC[C@@H]2CCOC3(CCC3)C2)ccc1-c1nn[n-]n1 ZINC001607078944 1097507253 /nfs/dbraw/zinc/50/72/53/1097507253.db2.gz CHJCGCFHVAWYHH-LLVKDONJSA-N -1 1 344.375 2.536 20 5 EFBDMM O=[N+]([O-])c1cc(Oc2cccc(-n3cccn3)c2)ccc1-c1nn[n-]n1 ZINC001607080549 1097508302 /nfs/dbraw/zinc/50/83/02/1097508302.db2.gz WKBVRFCZHDEAMH-UHFFFAOYSA-N -1 1 349.310 2.753 20 5 EFBDMM O=[N+]([O-])c1ccc(NCc2ccc3c(c2)CCC3)cc1-c1nnn[n-]1 ZINC001607083034 1097509360 /nfs/dbraw/zinc/50/93/60/1097509360.db2.gz ZSDOYUHKIIOVOP-UHFFFAOYSA-N -1 1 336.355 2.876 20 5 EFBDMM O=[N+]([O-])c1ccc(NCc2ccc3c(c2)CCC3)cc1-c1nn[n-]n1 ZINC001607083034 1097509365 /nfs/dbraw/zinc/50/93/65/1097509365.db2.gz ZSDOYUHKIIOVOP-UHFFFAOYSA-N -1 1 336.355 2.876 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N(CCC1CC1)CC1CC1 ZINC001607085456 1097510560 /nfs/dbraw/zinc/51/05/60/1097510560.db2.gz CTOZQNHQUUXOHZ-UHFFFAOYSA-N -1 1 334.405 2.853 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N(CCC1CC1)CC1CC1 ZINC001607085456 1097510564 /nfs/dbraw/zinc/51/05/64/1097510564.db2.gz CTOZQNHQUUXOHZ-UHFFFAOYSA-N -1 1 334.405 2.853 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCC1(c2ccccc2)CC1 ZINC001607087968 1097510854 /nfs/dbraw/zinc/51/08/54/1097510854.db2.gz CQCIFTRZEHAIMV-UHFFFAOYSA-N -1 1 342.384 2.980 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCC1(c2ccccc2)CC1 ZINC001607087968 1097510859 /nfs/dbraw/zinc/51/08/59/1097510859.db2.gz CQCIFTRZEHAIMV-UHFFFAOYSA-N -1 1 342.384 2.980 20 5 EFBDMM COc1ccc([C@@H](NCc2ccc(F)cc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC001607234986 1097568281 /nfs/dbraw/zinc/56/82/81/1097568281.db2.gz RIWHVTXDVMTFDS-OAHLLOKOSA-N -1 1 334.303 2.658 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1CNCc1ccc(C(=O)[O-])c(C)c1 ZINC001607291829 1097585881 /nfs/dbraw/zinc/58/58/81/1097585881.db2.gz VAFXNAFRMLASCB-UHFFFAOYSA-N -1 1 330.340 2.900 20 5 EFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2n[nH]c(-c3ccccc3)n2)c1 ZINC001608915673 1098070891 /nfs/dbraw/zinc/07/08/91/1098070891.db2.gz LBVSEFCFOWMTHL-UHFFFAOYSA-N -1 1 339.311 2.690 20 5 EFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2nc(-c3ccccc3)n[nH]2)c1 ZINC001608915673 1098070896 /nfs/dbraw/zinc/07/08/96/1098070896.db2.gz LBVSEFCFOWMTHL-UHFFFAOYSA-N -1 1 339.311 2.690 20 5 EFBDMM CC(C)[C@@H]1CCC[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001609091263 1098139516 /nfs/dbraw/zinc/13/95/16/1098139516.db2.gz MTNQFNYVTOXXEE-MNOVXSKESA-N -1 1 345.407 2.984 20 5 EFBDMM CC(C)[C@@H]1CCC[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001609091263 1098139517 /nfs/dbraw/zinc/13/95/17/1098139517.db2.gz MTNQFNYVTOXXEE-MNOVXSKESA-N -1 1 345.407 2.984 20 5 EFBDMM CC(C)[C@@H]1C[C@@H](CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCO1 ZINC001609092053 1098140637 /nfs/dbraw/zinc/14/06/37/1098140637.db2.gz YTSPBVHBNPRDOJ-NHYWBVRUSA-N -1 1 346.391 2.638 20 5 EFBDMM CC1(C)C[C@@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C(C)(C)O1 ZINC001609144042 1098166223 /nfs/dbraw/zinc/16/62/23/1098166223.db2.gz GKAIPOYRBJKLRX-LLVKDONJSA-N -1 1 332.364 2.533 20 5 EFBDMM CC1(C)C[C@@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C(C)(C)O1 ZINC001609144042 1098166225 /nfs/dbraw/zinc/16/62/25/1098166225.db2.gz GKAIPOYRBJKLRX-LLVKDONJSA-N -1 1 332.364 2.533 20 5 EFBDMM C[C@@H]1CCC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001609164563 1098178274 /nfs/dbraw/zinc/17/82/74/1098178274.db2.gz TXVQEGSMOMHSBW-NXEZZACHSA-N -1 1 331.380 2.738 20 5 EFBDMM C[C@@H]1CCC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001609164563 1098178277 /nfs/dbraw/zinc/17/82/77/1098178277.db2.gz TXVQEGSMOMHSBW-NXEZZACHSA-N -1 1 331.380 2.738 20 5 EFBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)[C@H]2CCCC[C@H]12 ZINC001609175547 1098183325 /nfs/dbraw/zinc/18/33/25/1098183325.db2.gz TUMWRRPJDKWANH-QKCSRTOESA-N -1 1 328.376 2.790 20 5 EFBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)[C@H]2CCCC[C@H]12 ZINC001609175547 1098183326 /nfs/dbraw/zinc/18/33/26/1098183326.db2.gz TUMWRRPJDKWANH-QKCSRTOESA-N -1 1 328.376 2.790 20 5 EFBDMM C[C@H]1Oc2ccccc2[C@@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609179522 1098184738 /nfs/dbraw/zinc/18/47/38/1098184738.db2.gz SXDAHBJISGMMGV-RFAUZJTJSA-N -1 1 338.327 2.709 20 5 EFBDMM COC1CCC(CCNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001609313513 1098245150 /nfs/dbraw/zinc/24/51/50/1098245150.db2.gz LYTDLRGCYQLUPO-UHFFFAOYSA-N -1 1 346.391 2.782 20 5 EFBDMM COC1CCC(CCNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001609313513 1098245154 /nfs/dbraw/zinc/24/51/54/1098245154.db2.gz LYTDLRGCYQLUPO-UHFFFAOYSA-N -1 1 346.391 2.782 20 5 EFBDMM Cc1nc(C)c(-c2nn[n-]n2)c(S/C=C\c2ccc([N+](=O)[O-])o2)n1 ZINC001609449179 1098327817 /nfs/dbraw/zinc/32/78/17/1098327817.db2.gz QHIAOYGLYZFLGF-WAYWQWQTSA-N -1 1 345.344 2.538 20 5 EFBDMM O=[N+]([O-])c1cnc(Oc2cnc3ccccc3c2)c(-c2nnn[n-]2)c1 ZINC001609604566 1098396073 /nfs/dbraw/zinc/39/60/73/1098396073.db2.gz WWABPVWTORLRAB-UHFFFAOYSA-N -1 1 335.283 2.510 20 5 EFBDMM O=[N+]([O-])c1cnc(Oc2cnc3ccccc3c2)c(-c2nn[n-]n2)c1 ZINC001609604566 1098396075 /nfs/dbraw/zinc/39/60/75/1098396075.db2.gz WWABPVWTORLRAB-UHFFFAOYSA-N -1 1 335.283 2.510 20 5 EFBDMM COc1cc(CN[C@](C)(C(=O)[O-])c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001610298351 1098608797 /nfs/dbraw/zinc/60/87/97/1098608797.db2.gz WXJDNUGLMPJEMF-KRWDZBQOSA-N -1 1 348.330 2.832 20 5 EFBDMM COc1ccc(CN[C@@](C)(C(=O)[O-])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001610336208 1098625942 /nfs/dbraw/zinc/62/59/42/1098625942.db2.gz ODCBZAYUCFGAGU-QGZVFWFLSA-N -1 1 348.330 2.832 20 5 EFBDMM Cc1ccc2nc(CNc3nc(C)cc(C(=O)[O-])c3[N+](=O)[O-])[nH]c2c1 ZINC001610515262 1098724540 /nfs/dbraw/zinc/72/45/40/1098724540.db2.gz BKQQVZDULINVBJ-UHFFFAOYSA-N -1 1 341.327 2.793 20 5 EFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(NCCc2ccc3cn[nH]c3c2)c1 ZINC001610840788 1098927352 /nfs/dbraw/zinc/92/73/52/1098927352.db2.gz BZNFPCHRNBZORO-UHFFFAOYSA-N -1 1 326.312 2.824 20 5 EFBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1F ZINC000007405659 1108066827 /nfs/dbraw/zinc/06/68/27/1108066827.db2.gz OORVKKZMDHZWIO-UHFFFAOYSA-N -1 1 332.259 2.813 20 5 EFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)cc1F ZINC000866970454 1108551413 /nfs/dbraw/zinc/55/14/13/1108551413.db2.gz RDXRPAMLBZUOFA-MRVPVSSYSA-N -1 1 338.307 2.508 20 5 EFBDMM CC1([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCC1 ZINC000159911703 1109798897 /nfs/dbraw/zinc/79/88/97/1109798897.db2.gz OOMKUYAUAKVYLO-UHFFFAOYSA-N -1 1 349.206 2.578 20 5 EFBDMM CCOC(=O)[C@H](CC)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234875221 1111427622 /nfs/dbraw/zinc/42/76/22/1111427622.db2.gz FLBFWFFRTUDYFM-JTQLQIEISA-N -1 1 348.149 2.783 20 5 EFBDMM CCOC(=O)[C@@H](CC)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234875223 1111427689 /nfs/dbraw/zinc/42/76/89/1111427689.db2.gz FLBFWFFRTUDYFM-SNVBAGLBSA-N -1 1 348.149 2.783 20 5 EFBDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(F)c([N+](=O)[O-])c1 ZINC000071836232 1118875060 /nfs/dbraw/zinc/87/50/60/1118875060.db2.gz HRBFNELCXAINFW-UHFFFAOYSA-N -1 1 328.296 2.982 20 5 EFBDMM CC(C)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC000003898720 210088312 /nfs/dbraw/zinc/08/83/12/210088312.db2.gz MMGLBDQONNDFQJ-UHFFFAOYSA-N -1 1 337.317 2.730 20 5 EFBDMM CC(C)n1c(CNC(=O)C=Cc2ccccc2[N+](=O)[O-])n[n-]c1=S ZINC000067071817 215110178 /nfs/dbraw/zinc/11/01/78/215110178.db2.gz XXGRZMYQYZOGSG-BQYQJAHWSA-N -1 1 347.400 2.759 20 5 EFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C1CCCC1 ZINC000038039579 213195220 /nfs/dbraw/zinc/19/52/20/213195220.db2.gz FBMMGOMHTXODBG-UHFFFAOYSA-N -1 1 349.206 2.578 20 5 EFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000129304683 223042221 /nfs/dbraw/zinc/04/22/21/223042221.db2.gz HYGISDWJMJKYGU-GFCCVEGCSA-N -1 1 345.330 2.539 20 5 EFBDMM O=C(NCCCCCc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193535278 240111931 /nfs/dbraw/zinc/11/19/31/240111931.db2.gz MBVVKRYTDUYTPE-UHFFFAOYSA-N -1 1 329.356 2.838 20 5 EFBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1c(F)cccc1Cl ZINC000193668994 240122564 /nfs/dbraw/zinc/12/25/64/240122564.db2.gz KDKUBCJRBQYRLM-ZETCQYMHSA-N -1 1 339.710 2.979 20 5 EFBDMM CC[C@H](CSc1ccccc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193749628 240124723 /nfs/dbraw/zinc/12/47/23/240124723.db2.gz KRZIILPWUGBWBO-GFCCVEGCSA-N -1 1 347.396 2.996 20 5 EFBDMM Cc1ccc(SC[C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000194022237 240135466 /nfs/dbraw/zinc/13/54/66/240135466.db2.gz UINVLOJEBGYBJJ-NSHDSACASA-N -1 1 347.396 2.914 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000193602685 240229044 /nfs/dbraw/zinc/22/90/44/240229044.db2.gz CPLKCLBLWFEBCD-LBPRGKRZSA-N -1 1 345.330 2.539 20 5 EFBDMM O=C(N[C@@H]1CCc2sc(Cl)cc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000356718192 284122620 /nfs/dbraw/zinc/12/26/20/284122620.db2.gz ZZHFYYBRQXZCOF-MRVPVSSYSA-N -1 1 339.760 2.828 20 5 EFBDMM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000421747645 246095205 /nfs/dbraw/zinc/09/52/05/246095205.db2.gz IWSBVHJNHVQVQE-UHFFFAOYSA-N -1 1 329.238 2.601 20 5 EFBDMM COc1cccc([C@@H](CC(=O)[O-])NCc2cccc([N+](=O)[O-])c2)c1 ZINC000426787878 247298451 /nfs/dbraw/zinc/29/84/51/247298451.db2.gz IKDQPKVSNQTBBB-MRXNPFEDSA-N -1 1 330.340 2.909 20 5 EFBDMM O=C(NCc1ccc(C2CCC2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000427590229 247368721 /nfs/dbraw/zinc/36/87/21/247368721.db2.gz YIFPKVZFCSVFEI-UHFFFAOYSA-N -1 1 327.340 2.893 20 5 EFBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)n[nH]1 ZINC000434973374 248201059 /nfs/dbraw/zinc/20/10/59/248201059.db2.gz MXTFDIBGLGXEKF-UHFFFAOYSA-N -1 1 344.352 2.786 20 5 EFBDMM O=C(NCc1csc2ccccc12)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444860183 250358913 /nfs/dbraw/zinc/35/89/13/250358913.db2.gz QEELHVZBMACLRX-UHFFFAOYSA-N -1 1 329.337 2.840 20 5 EFBDMM CCn1c(CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)n[n-]c1=S ZINC000094120327 218265814 /nfs/dbraw/zinc/26/58/14/218265814.db2.gz PWWFNZPHVQCVFC-UHFFFAOYSA-N -1 1 349.416 2.724 20 5 EFBDMM CSc1cc(C)ccc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445010207 250373279 /nfs/dbraw/zinc/37/32/79/250373279.db2.gz ODGUDMMOZZZFIY-UHFFFAOYSA-N -1 1 333.369 2.656 20 5 EFBDMM O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445014613 250375265 /nfs/dbraw/zinc/37/52/65/250375265.db2.gz XHKIZPRCUAGXHK-WPRPVWTQSA-N -1 1 347.293 2.794 20 5 EFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccccc1 ZINC000119468884 221327198 /nfs/dbraw/zinc/32/71/98/221327198.db2.gz HAJPPBOHVONYIF-UHFFFAOYSA-N -1 1 326.761 2.727 20 5 EFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(OC2CCCCC2)CC1 ZINC000126646415 141369223 /nfs/dbraw/zinc/36/92/23/141369223.db2.gz LFRLNIMCGOJSJX-UHFFFAOYSA-N -1 1 349.387 2.649 20 5 EFBDMM COc1cc(Br)cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000346107217 142147470 /nfs/dbraw/zinc/14/74/70/142147470.db2.gz LCPVLDHVKBKLRU-UHFFFAOYSA-N -1 1 340.133 2.946 20 5 EFBDMM CCSc1nnc([N-]C(=O)c2ccc(F)cc2[N+](=O)[O-])s1 ZINC000341455375 145054919 /nfs/dbraw/zinc/05/49/19/145054919.db2.gz BQKJYXDQRJAVCJ-UHFFFAOYSA-N -1 1 328.350 2.950 20 5 EFBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3ccc(-n4cccn4)cc3)no2)[n-]1 ZINC000355768719 147057526 /nfs/dbraw/zinc/05/75/26/147057526.db2.gz XYTJFXQRWZFMNK-UHFFFAOYSA-N -1 1 336.311 2.749 20 5 EFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccnc(N4CCCC4)c3)no2)[n-]1 ZINC000355868262 147086625 /nfs/dbraw/zinc/08/66/25/147086625.db2.gz VWBGKILDSWWQAJ-UHFFFAOYSA-N -1 1 326.316 2.635 20 5 EFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3Cn3cccn3)no2)[n-]1 ZINC000355897520 147093948 /nfs/dbraw/zinc/09/39/48/147093948.db2.gz VQIRYLHVOJUUJA-UHFFFAOYSA-N -1 1 336.311 2.885 20 5 EFBDMM O=C(NCC1(Cc2ccc(F)cc2)CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000356896243 147366460 /nfs/dbraw/zinc/36/64/60/147366460.db2.gz RFBDLAXSGODJKF-UHFFFAOYSA-N -1 1 345.330 2.587 20 5 EFBDMM CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1 ZINC000357459017 147531606 /nfs/dbraw/zinc/53/16/06/147531606.db2.gz TZLJJSUQWDUMMN-OAHLLOKOSA-N -1 1 329.356 2.865 20 5 EFBDMM COCCc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1 ZINC000360030361 148255041 /nfs/dbraw/zinc/25/50/41/148255041.db2.gz GECUVKUOUGTBKA-UHFFFAOYSA-N -1 1 336.369 2.585 20 5 EFBDMM C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000360343924 148336259 /nfs/dbraw/zinc/33/62/59/148336259.db2.gz DSSLVJMKZBYYPJ-UWVGGRQHSA-N -1 1 332.809 2.963 20 5 EFBDMM O=C(NCC1(c2ccccc2)CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000361914282 148723234 /nfs/dbraw/zinc/72/32/34/148723234.db2.gz AYSVVCKDADJPPV-UHFFFAOYSA-N -1 1 341.367 2.937 20 5 EFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C12CCC(CC1)C2 ZINC000368244256 150075825 /nfs/dbraw/zinc/07/58/25/150075825.db2.gz NFFRYZDKBZMQFV-UHFFFAOYSA-N -1 1 330.793 2.859 20 5 EFBDMM Cc1ccc([C@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000369371139 150338526 /nfs/dbraw/zinc/33/85/26/150338526.db2.gz TZSIUAXSJIXRJK-CQSZACIVSA-N -1 1 327.340 2.981 20 5 EFBDMM CCOC(=O)c1ccnc([N-]c2cnn(C(F)F)c2)c1[N+](=O)[O-] ZINC000361672485 164678119 /nfs/dbraw/zinc/67/81/19/164678119.db2.gz YVPPBVIIFTYZHJ-UHFFFAOYSA-N -1 1 327.247 2.502 20 5 EFBDMM Cc1nn(CCc2nc(-c3ccc([O-])cc3F)no2)c(C)c1[N+](=O)[O-] ZINC000278206685 267368598 /nfs/dbraw/zinc/36/85/98/267368598.db2.gz PXKKSSWBLVUQGL-UHFFFAOYSA-N -1 1 347.306 2.546 20 5 EFBDMM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278223856 267373133 /nfs/dbraw/zinc/37/31/33/267373133.db2.gz SKLBFNDPSIGBMC-TZMCWYRMSA-N -1 1 341.367 2.789 20 5 EFBDMM O=C(N[C@H]1CC[C@H](c2ccc(F)cc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000280646746 273350661 /nfs/dbraw/zinc/35/06/61/273350661.db2.gz SCVMBAMDSSUSON-FZMZJTMJSA-N -1 1 345.330 2.901 20 5 EFBDMM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000129332497 279002831 /nfs/dbraw/zinc/00/28/31/279002831.db2.gz JKZTTZACHHKNQV-PWSUYJOCSA-N -1 1 345.330 2.853 20 5 EFBDMM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193774794 279771413 /nfs/dbraw/zinc/77/14/13/279771413.db2.gz OBPAIXJSSTVALZ-ZUZCIYMTSA-N -1 1 327.340 2.749 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000290774845 294181792 /nfs/dbraw/zinc/18/17/92/294181792.db2.gz VSINICHZYGEXDY-LLVKDONJSA-N -1 1 345.321 2.798 20 5 EFBDMM CC(=O)N(c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1)[C@H]1C[C@@H]1C ZINC000294092661 295109203 /nfs/dbraw/zinc/10/92/03/295109203.db2.gz IQXQZXYASXSAAX-BONVTDFDSA-N -1 1 342.355 2.937 20 5 EFBDMM Cc1cc(N2C[C@H](C)C[C@H](C(=O)[O-])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000263169928 301344292 /nfs/dbraw/zinc/34/42/92/301344292.db2.gz JGYNVWFRFNKONJ-PWSUYJOCSA-N -1 1 329.356 2.998 20 5 EFBDMM O=C(N[C@@H]1CCSc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186785420 303887388 /nfs/dbraw/zinc/88/73/88/303887388.db2.gz FQKWHXNLRISCPA-LLVKDONJSA-N -1 1 331.353 2.662 20 5 EFBDMM CCOc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1)O[C@H](C)C2 ZINC000298866791 311030101 /nfs/dbraw/zinc/03/01/01/311030101.db2.gz VOMZLHLJRHCBST-SECBINFHSA-N -1 1 331.328 2.897 20 5 EFBDMM CCOc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1)O[C@@H](C)C2 ZINC000298866794 311030182 /nfs/dbraw/zinc/03/01/82/311030182.db2.gz VOMZLHLJRHCBST-VIFPVBQESA-N -1 1 331.328 2.897 20 5 EFBDMM C[C@@H]1CN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])[n-]2)C[C@H](C)O1 ZINC000298978008 311039319 /nfs/dbraw/zinc/03/93/19/311039319.db2.gz MMUGRULALDJZCE-TXEJJXNPSA-N -1 1 344.371 2.789 20 5 EFBDMM Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000299023287 311042900 /nfs/dbraw/zinc/04/29/00/311042900.db2.gz PJKLOWZZVPLGGS-UHFFFAOYSA-N -1 1 328.328 2.832 20 5 EFBDMM CC(C)[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000470735533 313134319 /nfs/dbraw/zinc/13/43/19/313134319.db2.gz YWXFVKBNUQDPKF-CQSZACIVSA-N -1 1 343.383 2.940 20 5 EFBDMM CC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000507586001 315489062 /nfs/dbraw/zinc/48/90/62/315489062.db2.gz SODKKYOHMNHRPR-UHFFFAOYSA-N -1 1 338.316 2.737 20 5 EFBDMM CCOC(=O)c1cccc(N(CC)C(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000518311645 315806148 /nfs/dbraw/zinc/80/61/48/315806148.db2.gz RZJBDMZCXICKRO-UHFFFAOYSA-N -1 1 331.328 2.766 20 5 EFBDMM Cc1cc(C)cc([C@@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000525174842 316193507 /nfs/dbraw/zinc/19/35/07/316193507.db2.gz IWFMARIBTHNJOZ-GFCCVEGCSA-N -1 1 335.385 2.646 20 5 EFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1c1ccccc1 ZINC000525687715 316226614 /nfs/dbraw/zinc/22/66/14/316226614.db2.gz MVAPXZXEUZOLGD-UONOGXRCSA-N -1 1 347.396 2.604 20 5 EFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000525687716 316226663 /nfs/dbraw/zinc/22/66/63/316226663.db2.gz MVAPXZXEUZOLGD-ZIAGYGMSSA-N -1 1 347.396 2.604 20 5 EFBDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@H](C)C1CCCCC1 ZINC000531129921 317223707 /nfs/dbraw/zinc/22/37/07/317223707.db2.gz QXVYLPKGICKDBW-NWDGAFQWSA-N -1 1 341.433 2.873 20 5 EFBDMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1ccc([N+](=O)[O-])cn1 ZINC000535320349 317588659 /nfs/dbraw/zinc/58/86/59/317588659.db2.gz FLTYILDYIOPSQC-UHFFFAOYSA-N -1 1 349.759 2.769 20 5 EFBDMM CCc1cccc(S(=O)(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000543858315 317868741 /nfs/dbraw/zinc/86/87/41/317868741.db2.gz LQPCXWHPJHZXOB-UHFFFAOYSA-N -1 1 336.369 2.967 20 5 EFBDMM CCN1C[C@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H](C)C1 ZINC000563409381 318782158 /nfs/dbraw/zinc/78/21/58/318782158.db2.gz WTYMTMOIOJYSCO-UWVGGRQHSA-N -1 1 341.795 2.509 20 5 EFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](c1ccccc1)C1CCC1 ZINC000565690815 318992734 /nfs/dbraw/zinc/99/27/34/318992734.db2.gz RNGYSHMXBCQLRP-OAHLLOKOSA-N -1 1 347.396 2.810 20 5 EFBDMM CC(F)(F)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000568488729 319288609 /nfs/dbraw/zinc/28/86/09/319288609.db2.gz APUOWUHLILWHTP-UHFFFAOYSA-N -1 1 348.249 2.547 20 5 EFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cc2ccccc2s1 ZINC000568578189 319295665 /nfs/dbraw/zinc/29/56/65/319295665.db2.gz QRNMCDGXNDGVOI-UHFFFAOYSA-N -1 1 349.393 2.683 20 5 EFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](F)C1 ZINC000571518821 319581505 /nfs/dbraw/zinc/58/15/05/319581505.db2.gz LCEIAARXJPRHJL-ZJUUUORDSA-N -1 1 336.772 2.807 20 5 EFBDMM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1c(F)ccc([O-])c1F ZINC000572528494 319679652 /nfs/dbraw/zinc/67/96/52/319679652.db2.gz SNXSVCLGIBKLQF-UHFFFAOYSA-N -1 1 336.294 2.893 20 5 EFBDMM CCC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCC1 ZINC000578607704 320221264 /nfs/dbraw/zinc/22/12/64/320221264.db2.gz NLUCZNIWHPUTGU-LBPRGKRZSA-N -1 1 327.406 2.627 20 5 EFBDMM CCCC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCC1 ZINC000580387696 324150452 /nfs/dbraw/zinc/15/04/52/324150452.db2.gz RSCBNRCJIZBKQN-LBPRGKRZSA-N -1 1 327.406 2.627 20 5 EFBDMM Cc1cc(NC[C@H](c2ccco2)N(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000580775944 324233122 /nfs/dbraw/zinc/23/31/22/324233122.db2.gz JBEZOMDBUNYSBR-CYBMUJFWSA-N -1 1 333.344 2.909 20 5 EFBDMM C[C@]1(C(=O)[O-])CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000580778966 324234112 /nfs/dbraw/zinc/23/41/12/324234112.db2.gz MPNWOICWFLARJB-ZDUSSCGKSA-N -1 1 332.278 2.910 20 5 EFBDMM CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccco1 ZINC000095456853 473208051 /nfs/dbraw/zinc/20/80/51/473208051.db2.gz BJTJNPNRZQDHOP-AWEZNQCLSA-N -1 1 347.371 2.706 20 5 EFBDMM CN(Cc1ccc2ccccc2c1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000138242083 473217359 /nfs/dbraw/zinc/21/73/59/473217359.db2.gz LLHRYTPPXGTWLD-UHFFFAOYSA-N -1 1 337.335 2.709 20 5 EFBDMM COc1cc(S(=O)(=O)[N-]c2cc(C)ccc2F)ccc1[N+](=O)[O-] ZINC000124383609 473239285 /nfs/dbraw/zinc/23/92/85/473239285.db2.gz KMZRCWHDSSVOKI-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])[nH]n2)o1 ZINC000446646969 476901432 /nfs/dbraw/zinc/90/14/32/476901432.db2.gz YSLYXFHWFAPDMQ-UHFFFAOYSA-N -1 1 348.340 2.687 20 5 EFBDMM CC(C)c1ccc(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000016497481 471939022 /nfs/dbraw/zinc/93/90/22/471939022.db2.gz HOGDHUGLJMLLCO-UHFFFAOYSA-N -1 1 329.356 2.791 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCO2 ZINC000026543645 472142496 /nfs/dbraw/zinc/14/24/96/472142496.db2.gz KJRJVCIFCWZOEM-UHFFFAOYSA-N -1 1 334.353 2.639 20 5 EFBDMM COc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1F ZINC000055619054 472212992 /nfs/dbraw/zinc/21/29/92/472212992.db2.gz UVHTWMZRWCLKME-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc3cccnc32)ccc1[O-] ZINC000028808606 472237680 /nfs/dbraw/zinc/23/76/80/472237680.db2.gz XDZUDOWSLOALMS-UHFFFAOYSA-N -1 1 345.336 2.649 20 5 EFBDMM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000056108770 472283679 /nfs/dbraw/zinc/28/36/79/472283679.db2.gz HTGRRBRALHFXMM-SECBINFHSA-N -1 1 342.323 2.913 20 5 EFBDMM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C)s2)cc1SC ZINC000069531005 472364975 /nfs/dbraw/zinc/36/49/75/472364975.db2.gz KAEGTEXHOJQYFQ-UHFFFAOYSA-N -1 1 340.386 2.738 20 5 EFBDMM O=C(NCCNc1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1[O-] ZINC000045631125 472436563 /nfs/dbraw/zinc/43/65/63/472436563.db2.gz FCLONENQZJEBKG-UHFFFAOYSA-N -1 1 335.747 2.796 20 5 EFBDMM CC1CCC(N2CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC2)CC1 ZINC000160417632 473120833 /nfs/dbraw/zinc/12/08/33/473120833.db2.gz JMYIARMLJXEFOZ-UHFFFAOYSA-N -1 1 347.415 2.637 20 5 EFBDMM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000185746596 473503777 /nfs/dbraw/zinc/50/37/77/473503777.db2.gz USHODQLGZHQWRM-GFCCVEGCSA-N -1 1 329.356 2.673 20 5 EFBDMM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])CO2 ZINC000152551206 473575838 /nfs/dbraw/zinc/57/58/38/473575838.db2.gz KPOGDDVYVHSJTD-ZDUSSCGKSA-N -1 1 348.380 2.624 20 5 EFBDMM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186844915 473768086 /nfs/dbraw/zinc/76/80/86/473768086.db2.gz AFVCAIJFAZRGEQ-QMMMGPOBSA-N -1 1 337.282 2.807 20 5 EFBDMM COc1ccc([C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000186883554 473775214 /nfs/dbraw/zinc/77/52/14/473775214.db2.gz ATWMTBJFCPWMOT-OAHLLOKOSA-N -1 1 343.339 2.585 20 5 EFBDMM O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187112575 473820491 /nfs/dbraw/zinc/82/04/91/473820491.db2.gz JSNVXXZAIZZVSG-DZGCQCFKSA-N -1 1 341.367 2.837 20 5 EFBDMM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187153937 473827353 /nfs/dbraw/zinc/82/73/53/473827353.db2.gz QXXUEALIQGOFCM-CQSZACIVSA-N -1 1 347.346 2.832 20 5 EFBDMM COc1ccc([C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C(C)C)cc1 ZINC000187548505 473884827 /nfs/dbraw/zinc/88/48/27/473884827.db2.gz ZVGVEXZLRONMPX-OAHLLOKOSA-N -1 1 345.355 2.831 20 5 EFBDMM Cc1cccc2c1N(C1CC1)CCN2C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000274800815 473963666 /nfs/dbraw/zinc/96/36/66/473963666.db2.gz OWNHQEXDLHRVAC-UHFFFAOYSA-N -1 1 326.356 2.861 20 5 EFBDMM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188154442 474002155 /nfs/dbraw/zinc/00/21/55/474002155.db2.gz HUXXNVILBJZARF-QMMMGPOBSA-N -1 1 337.282 2.807 20 5 EFBDMM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[C@@H]1c1ccccc1 ZINC000174236372 474010559 /nfs/dbraw/zinc/01/05/59/474010559.db2.gz BGJQUUNQWJRGOP-DOMZBBRYSA-N -1 1 341.367 2.961 20 5 EFBDMM CCC[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000340976524 474839155 /nfs/dbraw/zinc/83/91/55/474839155.db2.gz SZPHOAQSTVZHLN-ZDUSSCGKSA-N -1 1 329.356 2.837 20 5 EFBDMM Cc1cccc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)c1 ZINC000273546084 474957516 /nfs/dbraw/zinc/95/75/16/474957516.db2.gz UPWRZELWCDJHCZ-CYBMUJFWSA-N -1 1 327.340 2.634 20 5 EFBDMM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000286303096 475058717 /nfs/dbraw/zinc/05/87/17/475058717.db2.gz JRTIZQPRJSPCNC-RISCZKNCSA-N -1 1 327.340 2.919 20 5 EFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(OCC(F)F)nc3)no2)[n-]1 ZINC000357946517 475283206 /nfs/dbraw/zinc/28/32/06/475283206.db2.gz KIXSYJKSQPVSDE-UHFFFAOYSA-N -1 1 337.242 2.679 20 5 EFBDMM COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc(Cl)c1F ZINC000361245678 475299105 /nfs/dbraw/zinc/29/91/05/475299105.db2.gz QGABUTYTOGADIB-UHFFFAOYSA-N -1 1 341.682 2.754 20 5 EFBDMM O=C(NCc1cc2ccccc2s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000352455909 475312847 /nfs/dbraw/zinc/31/28/47/475312847.db2.gz JSBYGYKNGALZFA-UHFFFAOYSA-N -1 1 329.337 2.840 20 5 EFBDMM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000354707835 475350653 /nfs/dbraw/zinc/35/06/53/475350653.db2.gz LKSFNERHILAGKI-SSDOTTSWSA-N -1 1 344.286 2.743 20 5 EFBDMM COc1c(C(=O)[N-]c2nnc(C(F)F)s2)cccc1[N+](=O)[O-] ZINC000355111519 475674423 /nfs/dbraw/zinc/67/44/23/475674423.db2.gz XLHHDRVASMXBAA-UHFFFAOYSA-N -1 1 330.272 2.645 20 5 EFBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ncn(C(C)(C)C)n2)c1 ZINC000338443576 475909087 /nfs/dbraw/zinc/90/90/87/475909087.db2.gz GGKQHVDGRXWXJR-UHFFFAOYSA-N -1 1 333.348 2.592 20 5 EFBDMM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000362095368 475996681 /nfs/dbraw/zinc/99/66/81/475996681.db2.gz IITCFTVTBSNJSJ-ZCFIWIBFSA-N -1 1 346.714 2.867 20 5 EFBDMM COc1cc(OC)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Cl ZINC000340477688 476058729 /nfs/dbraw/zinc/05/87/29/476058729.db2.gz CHGOGUMRJKSNSF-UHFFFAOYSA-N -1 1 325.708 2.846 20 5 EFBDMM CC(C)NC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000340551621 476102460 /nfs/dbraw/zinc/10/24/60/476102460.db2.gz VOLGZQPYIJQOMI-UHFFFAOYSA-N -1 1 331.332 2.705 20 5 EFBDMM Cc1ccc(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000303134329 476221589 /nfs/dbraw/zinc/22/15/89/476221589.db2.gz BVCCEKNRWBSIFM-UHFFFAOYSA-N -1 1 329.356 2.711 20 5 EFBDMM COCCOc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1F ZINC000357217823 476293667 /nfs/dbraw/zinc/29/36/67/476293667.db2.gz GJXRQHWWEGCENN-UHFFFAOYSA-N -1 1 348.290 2.804 20 5 EFBDMM CC[C@@H](C)n1ncc([N-]c2nccc(C(N)=O)c2[N+](=O)[O-])c1C1CC1 ZINC000357484450 476409940 /nfs/dbraw/zinc/40/99/40/476409940.db2.gz RAXKHTCXRSGGIX-SECBINFHSA-N -1 1 344.375 2.877 20 5 EFBDMM C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000390951135 476809929 /nfs/dbraw/zinc/80/99/29/476809929.db2.gz XLDRDJAWPZMJQR-TVQRCGJNSA-N -1 1 332.278 2.995 20 5 EFBDMM C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000390951133 476810066 /nfs/dbraw/zinc/81/00/66/476810066.db2.gz XLDRDJAWPZMJQR-RNCFNFMXSA-N -1 1 332.278 2.995 20 5 EFBDMM C[C@@](Cc1ccccc1)(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000457044874 476843670 /nfs/dbraw/zinc/84/36/70/476843670.db2.gz NKGQNZNXKQPDHQ-SFHVURJKSA-N -1 1 341.367 2.837 20 5 EFBDMM O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000452131641 476849579 /nfs/dbraw/zinc/84/95/79/476849579.db2.gz JHMHUDKNFPLRAZ-UMSPYCQHSA-N -1 1 331.303 2.511 20 5 EFBDMM COC(=O)c1c[n-]c(SCc2cc(OC)c(F)cc2[N+](=O)[O-])n1 ZINC000432665263 477247077 /nfs/dbraw/zinc/24/70/77/477247077.db2.gz HLHHEJJMPRWUFO-UHFFFAOYSA-N -1 1 341.320 2.545 20 5 EFBDMM COC(=O)c1ccc([O-])c(NC(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000436510805 477500304 /nfs/dbraw/zinc/50/03/04/477500304.db2.gz UQFSEUOUYJGHET-UHFFFAOYSA-N -1 1 330.296 2.648 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(Cl)ccc1[O-] ZINC000436820271 477600726 /nfs/dbraw/zinc/60/07/26/477600726.db2.gz QVGDOYRSEHOQSK-UHFFFAOYSA-N -1 1 336.731 2.892 20 5 EFBDMM O=C(c1ccc([O-])cc1)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000372210731 477695308 /nfs/dbraw/zinc/69/53/08/477695308.db2.gz IDHVTNLFDDZGLI-UHFFFAOYSA-N -1 1 327.340 2.795 20 5 EFBDMM CC(C)c1ncsc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000451108260 477827356 /nfs/dbraw/zinc/82/73/56/477827356.db2.gz RXYKUAKKAJYMJL-UHFFFAOYSA-N -1 1 343.386 2.681 20 5 EFBDMM CC(C)(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000534288216 478136776 /nfs/dbraw/zinc/13/67/76/478136776.db2.gz IFJNYCWYNQKHIG-UHFFFAOYSA-N -1 1 341.433 2.875 20 5 EFBDMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000600674201 478461844 /nfs/dbraw/zinc/46/18/44/478461844.db2.gz DWVICEHAPHXKCB-NXEZZACHSA-N -1 1 332.360 2.545 20 5 EFBDMM Cc1ccccc1[C@H](C(=O)[O-])N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000571463801 478602797 /nfs/dbraw/zinc/60/27/97/478602797.db2.gz IXFCENWNDISKHH-QGZVFWFLSA-N -1 1 342.351 2.924 20 5 EFBDMM CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000542756649 478680272 /nfs/dbraw/zinc/68/02/72/478680272.db2.gz XMPZWCRWQZBLSL-JTQLQIEISA-N -1 1 340.323 2.850 20 5 EFBDMM Cc1cc(S(=O)(=O)[N-][C@H](C)CC(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000601393542 478817962 /nfs/dbraw/zinc/81/79/62/478817962.db2.gz ILLPTDTYUYGYCM-SSDOTTSWSA-N -1 1 344.286 2.662 20 5 EFBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)c(C)c1[N+](=O)[O-] ZINC000598734363 478995370 /nfs/dbraw/zinc/99/53/70/478995370.db2.gz KXQJYGAOLSWZSU-UHFFFAOYSA-N -1 1 338.389 2.859 20 5 EFBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000584085863 479010002 /nfs/dbraw/zinc/01/00/02/479010002.db2.gz DIOOVILPRNUMOD-UHFFFAOYSA-N -1 1 336.369 2.967 20 5 EFBDMM C[C@H]1c2c(F)cccc2CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000565578278 479038638 /nfs/dbraw/zinc/03/86/38/479038638.db2.gz QNPVTPJRCWTQCA-VIFPVBQESA-N -1 1 331.303 2.594 20 5 EFBDMM CCO[C@@H]1C[C@@H](N(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1(C)C ZINC000593738034 479440920 /nfs/dbraw/zinc/44/09/20/479440920.db2.gz KVRIVGPUMAXUDN-HUUCEWRRSA-N -1 1 336.388 2.928 20 5 EFBDMM O=C([O-])[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000593743665 479443159 /nfs/dbraw/zinc/44/31/59/479443159.db2.gz HNSUDPWNNXQLJU-OAHLLOKOSA-N -1 1 342.351 2.658 20 5 EFBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000593747881 479445360 /nfs/dbraw/zinc/44/53/60/479445360.db2.gz FAOBXSHCYXZEKF-DOMZBBRYSA-N -1 1 336.388 2.925 20 5 EFBDMM O=C(NCC1(c2ccccc2F)CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000593756274 479448979 /nfs/dbraw/zinc/44/89/79/479448979.db2.gz OMGRHLNZPHBTTJ-UHFFFAOYSA-N -1 1 345.330 2.686 20 5 EFBDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]C2(C(F)F)CCCC2)cc1 ZINC000588906231 479455491 /nfs/dbraw/zinc/45/54/91/479455491.db2.gz PFNQALSXVCJEFQ-UHFFFAOYSA-N -1 1 334.344 2.592 20 5 EFBDMM O=C([O-])c1ccccc1CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000579248197 479679069 /nfs/dbraw/zinc/67/90/69/479679069.db2.gz NCZXCRBWFOYMCG-UHFFFAOYSA-N -1 1 341.367 2.615 20 5 EFBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000619466905 479802437 /nfs/dbraw/zinc/80/24/37/479802437.db2.gz CZUDSHPVWBXQGI-UHFFFAOYSA-N -1 1 344.295 2.682 20 5 EFBDMM CC[C@@H]1c2ccccc2CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618383335 480651273 /nfs/dbraw/zinc/65/12/73/480651273.db2.gz IFJDWKBQWWEDAV-CQSZACIVSA-N -1 1 327.340 2.845 20 5 EFBDMM COc1cc2nc(-c3ccc([N+](=O)[O-])cc3)[n-]c(=O)c2cc1OC ZINC000119736047 523060595 /nfs/dbraw/zinc/06/05/95/523060595.db2.gz OLDOMRQYNWYRKE-UHFFFAOYSA-N -1 1 327.296 2.516 20 5 EFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c(C)c1F ZINC000181345133 525082269 /nfs/dbraw/zinc/08/22/69/525082269.db2.gz GMDIRAVPEUPOQQ-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000120304708 526704410 /nfs/dbraw/zinc/70/44/10/526704410.db2.gz QDIMTWRVLLHOEJ-UHFFFAOYSA-N -1 1 344.323 2.629 20 5 EFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Br)o3)no2)[n-]1 ZINC000357173623 527342339 /nfs/dbraw/zinc/34/23/39/527342339.db2.gz SSARFGLNFAXRHK-UHFFFAOYSA-N -1 1 325.078 2.995 20 5 EFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc(F)cc1 ZINC000119487206 527388867 /nfs/dbraw/zinc/38/88/67/527388867.db2.gz BDYCACUSPXQJII-UHFFFAOYSA-N -1 1 344.751 2.866 20 5 EFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C(C1CC1)C1CC1 ZINC000146653163 527389994 /nfs/dbraw/zinc/38/99/94/527389994.db2.gz SUIWCVMYHOASAK-UHFFFAOYSA-N -1 1 330.793 2.715 20 5 EFBDMM CCCCc1cc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1 ZINC000159937572 529017714 /nfs/dbraw/zinc/01/77/14/529017714.db2.gz RWAWFDQLIVLQHQ-UHFFFAOYSA-N -1 1 342.352 2.600 20 5 EFBDMM COC(=O)c1c[n-]c(SCc2nc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000193544540 536862165 /nfs/dbraw/zinc/86/21/65/536862165.db2.gz SIUCLQKDFVFYEE-UHFFFAOYSA-N -1 1 334.313 2.538 20 5 EFBDMM COc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1[N+](=O)[O-] ZINC000426803056 536895841 /nfs/dbraw/zinc/89/58/41/536895841.db2.gz ZYPGRZZTWMREBH-OAHLLOKOSA-N -1 1 334.303 2.658 20 5 EFBDMM COC(=O)c1cc([N-]S(=O)(=O)C2=CCCCC2)cc([N+](=O)[O-])c1 ZINC000296120974 537696041 /nfs/dbraw/zinc/69/60/41/537696041.db2.gz YKSGWBHXRHYKCZ-UHFFFAOYSA-N -1 1 340.357 2.581 20 5 EFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC(F)(F)C1 ZINC000763377619 576374964 /nfs/dbraw/zinc/37/49/64/576374964.db2.gz GBMCQTNRFMBVGO-QMMMGPOBSA-N -1 1 340.735 2.714 20 5 EFBDMM Cc1occc1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725826914 577237739 /nfs/dbraw/zinc/23/77/39/577237739.db2.gz HHYZVJTXROOBTK-UHFFFAOYSA-N -1 1 330.749 2.628 20 5 EFBDMM O=C(OCc1nc(-c2ccsc2)no1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769045129 577327257 /nfs/dbraw/zinc/32/72/57/577327257.db2.gz APSJRVNNPNLTCA-UHFFFAOYSA-N -1 1 347.308 2.769 20 5 EFBDMM COc1ccc(OC)c(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000769045771 577327441 /nfs/dbraw/zinc/32/74/41/577327441.db2.gz DVLNZQZBLAPIJX-UHFFFAOYSA-N -1 1 333.296 2.675 20 5 EFBDMM Cc1cc(C)cc(NC(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000769046638 577327702 /nfs/dbraw/zinc/32/77/02/577327702.db2.gz GWGONVBLKCKXLF-UHFFFAOYSA-N -1 1 344.323 2.713 20 5 EFBDMM Cc1ccsc1CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000773346804 581421753 /nfs/dbraw/zinc/42/17/53/581421753.db2.gz ZNTWPLAJXXZYNC-UHFFFAOYSA-N -1 1 344.389 2.625 20 5 EFBDMM C[C@H](OC(=O)c1ccc([O-])cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000773563693 581445729 /nfs/dbraw/zinc/44/57/29/581445729.db2.gz DABOUFKLUJNQNM-VIFPVBQESA-N -1 1 348.286 2.624 20 5 EFBDMM Cc1ccc(Cl)c(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000822240089 599153706 /nfs/dbraw/zinc/15/37/06/599153706.db2.gz RPKWCSWIRBGPET-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM Cc1ccc(Cl)c(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000822240089 599153709 /nfs/dbraw/zinc/15/37/09/599153709.db2.gz RPKWCSWIRBGPET-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM COc1cc(CNCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])cc1OC ZINC000820770895 598194101 /nfs/dbraw/zinc/19/41/01/598194101.db2.gz SVMPPSHWYVXMDJ-UHFFFAOYSA-N -1 1 346.339 2.600 20 5 EFBDMM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(C(=O)[O-])CC1 ZINC000736727016 600033765 /nfs/dbraw/zinc/03/37/65/600033765.db2.gz ABPHLLIATDTZTH-SNVBAGLBSA-N -1 1 346.343 2.502 20 5 EFBDMM CO[C@@H](CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000821677425 607496297 /nfs/dbraw/zinc/49/62/97/607496297.db2.gz WRKKVGLEAGYVDM-HNNXBMFYSA-N -1 1 340.343 2.575 20 5 EFBDMM O=C([O-])Nc1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1F ZINC000833282162 604601011 /nfs/dbraw/zinc/60/10/11/604601011.db2.gz DSLCZISRVWTHGK-UHFFFAOYSA-N -1 1 335.247 2.782 20 5 EFBDMM Cc1cc(C)c(OC(=O)c2ccc(-c3nnn[n-]3)s2)c([N+](=O)[O-])c1 ZINC000822194368 606495156 /nfs/dbraw/zinc/49/51/56/606495156.db2.gz ULMGQHQEPNLJRG-UHFFFAOYSA-N -1 1 345.340 2.672 20 5 EFBDMM Cc1cc(C)c(OC(=O)c2ccc(-c3nn[n-]n3)s2)c([N+](=O)[O-])c1 ZINC000822194368 606495157 /nfs/dbraw/zinc/49/51/57/606495157.db2.gz ULMGQHQEPNLJRG-UHFFFAOYSA-N -1 1 345.340 2.672 20 5 EFBDMM CC(C)c1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000820192415 606700519 /nfs/dbraw/zinc/70/05/19/606700519.db2.gz NALDHAOKKWNQJR-UHFFFAOYSA-N -1 1 339.359 2.905 20 5 EFBDMM CC(C)c1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000820192415 606700520 /nfs/dbraw/zinc/70/05/20/606700520.db2.gz NALDHAOKKWNQJR-UHFFFAOYSA-N -1 1 339.359 2.905 20 5 EFBDMM Cc1ccc([C@@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])s1 ZINC000822229523 606701146 /nfs/dbraw/zinc/70/11/46/606701146.db2.gz WKPVJBDWJXAZMA-MRVPVSSYSA-N -1 1 331.361 2.713 20 5 EFBDMM Cc1ccc([C@@H](C)Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])s1 ZINC000822229523 606701148 /nfs/dbraw/zinc/70/11/48/606701148.db2.gz WKPVJBDWJXAZMA-MRVPVSSYSA-N -1 1 331.361 2.713 20 5 EFBDMM CC[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])C1CCCCC1 ZINC000820925489 606706247 /nfs/dbraw/zinc/70/62/47/606706247.db2.gz IZJRURZTKWBTFC-LBPRGKRZSA-N -1 1 331.380 2.941 20 5 EFBDMM CC[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])C1CCCCC1 ZINC000820925489 606706249 /nfs/dbraw/zinc/70/62/49/606706249.db2.gz IZJRURZTKWBTFC-LBPRGKRZSA-N -1 1 331.380 2.941 20 5 EFBDMM Cc1cc2cc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])ccc2[nH]1 ZINC000822212907 607167362 /nfs/dbraw/zinc/16/73/62/607167362.db2.gz MHZQHEYAMLAVJA-UHFFFAOYSA-N -1 1 336.315 2.703 20 5 EFBDMM Cc1cc2cc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])ccc2[nH]1 ZINC000822212907 607167364 /nfs/dbraw/zinc/16/73/64/607167364.db2.gz MHZQHEYAMLAVJA-UHFFFAOYSA-N -1 1 336.315 2.703 20 5 EFBDMM CSCCCCCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000826228298 609588505 /nfs/dbraw/zinc/58/85/05/609588505.db2.gz LCSNBHCBEDUXTJ-UHFFFAOYSA-N -1 1 337.409 2.505 20 5 EFBDMM CSCCCCCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000826228298 609588506 /nfs/dbraw/zinc/58/85/06/609588506.db2.gz LCSNBHCBEDUXTJ-UHFFFAOYSA-N -1 1 337.409 2.505 20 5 EFBDMM CC[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000791420030 1278100608 /nfs/dbraw/zinc/10/06/08/1278100608.db2.gz WDGFXLQEUYOENW-LBPRGKRZSA-N -1 1 325.317 2.578 20 5 EFBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000744460458 1271046303 /nfs/dbraw/zinc/04/63/03/1271046303.db2.gz HSVUPWSVLIOEER-UHFFFAOYSA-N -1 1 335.337 2.964 20 5 EFBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000744794970 1271185327 /nfs/dbraw/zinc/18/53/27/1271185327.db2.gz ATDQEIJRALTIAZ-UHFFFAOYSA-N -1 1 335.337 2.964 20 5 EFBDMM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000788216069 1276098429 /nfs/dbraw/zinc/09/84/29/1276098429.db2.gz GKRLYPKBGAMFKG-UHFFFAOYSA-N -1 1 331.737 2.654 20 5 EFBDMM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815009294 1287243444 /nfs/dbraw/zinc/24/34/44/1287243444.db2.gz DESGUPPMCGNHCJ-XCBNKYQSSA-N -1 1 336.772 2.854 20 5 EFBDMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000814999901 1287258082 /nfs/dbraw/zinc/25/80/82/1287258082.db2.gz QCVSJDZGAPTSHY-ZETCQYMHSA-N -1 1 336.772 2.712 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C1(C2CC2)CC1 ZINC000815025766 1287275604 /nfs/dbraw/zinc/27/56/04/1287275604.db2.gz XZEDECMPPOWBGU-UHFFFAOYSA-N -1 1 334.756 2.608 20 5 EFBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CCC1 ZINC000815027411 1287276416 /nfs/dbraw/zinc/27/64/16/1287276416.db2.gz QOAJUXUFEKNKCU-SSDOTTSWSA-N -1 1 336.772 2.854 20 5 EFBDMM O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[N-]OCC(F)(F)F ZINC000790893331 1277835361 /nfs/dbraw/zinc/83/53/61/1277835361.db2.gz GXNVTXXUKKYASK-UHFFFAOYSA-N -1 1 330.621 2.540 20 5 EFBDMM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809808194 1282472780 /nfs/dbraw/zinc/47/27/80/1282472780.db2.gz JFMRGGNLKYREOF-NKWVEPMBSA-N -1 1 339.200 2.836 20 5 EFBDMM CC1(C)CC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809845373 1282502619 /nfs/dbraw/zinc/50/26/19/1282502619.db2.gz JCJBSEINYBXXNR-LLVKDONJSA-N -1 1 336.772 2.854 20 5 EFBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cncc(F)c2)c1Cl ZINC000811832309 1284661571 /nfs/dbraw/zinc/66/15/71/1284661571.db2.gz YCWSRVIPSUTTIH-UHFFFAOYSA-N -1 1 331.712 2.583 20 5 EFBDMM Cc1cccc(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000811857145 1284699140 /nfs/dbraw/zinc/69/91/40/1284699140.db2.gz YABCFLPPVDDYIU-LLVKDONJSA-N -1 1 345.321 2.798 20 5 EFBDMM CON(Cc1ccccc1Cl)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000812428659 1285133598 /nfs/dbraw/zinc/13/35/98/1285133598.db2.gz HANFSGWLHLDYQP-UHFFFAOYSA-N -1 1 337.719 2.553 20 5 EFBDMM CON(Cc1ccc(Cl)cc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000812800413 1285445319 /nfs/dbraw/zinc/44/53/19/1285445319.db2.gz UNUJMNGPULPHSO-UHFFFAOYSA-N -1 1 337.719 2.553 20 5 EFBDMM Cc1ccoc1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000813744263 1286104779 /nfs/dbraw/zinc/10/47/79/1286104779.db2.gz FRMAYRFJYHQDIY-UHFFFAOYSA-N -1 1 348.739 2.767 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1ccccc1 ZINC000814973434 1287195447 /nfs/dbraw/zinc/19/54/47/1287195447.db2.gz SNTWQQGGNIDHOJ-UHFFFAOYSA-N -1 1 344.751 2.866 20 5 EFBDMM Nc1ccc2cc3ccc(Nc4cnn(CC(=O)[O-])c4)cc3nc2c1 ZINC001176270895 1287936332 /nfs/dbraw/zinc/93/63/32/1287936332.db2.gz JHXTWXCWQXHVGV-UHFFFAOYSA-N -1 1 333.351 2.995 20 5 EFBDMM O=C([O-])c1cc(Nc2ccnn2-c2ccncc2)cc([N+](=O)[O-])c1 ZINC001176677821 1288067063 /nfs/dbraw/zinc/06/70/63/1288067063.db2.gz BJIVNKLLFUDKQF-UHFFFAOYSA-N -1 1 325.284 2.617 20 5 EFBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccccc2OC(F)(F)F)no1 ZINC001212893043 1290625117 /nfs/dbraw/zinc/62/51/17/1290625117.db2.gz JUUOVRROGNPGGH-UHFFFAOYSA-N -1 1 341.205 2.934 20 5 EFBDMM CCN(CC)c1ccc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)cc1 ZINC001212893175 1290626142 /nfs/dbraw/zinc/62/61/42/1290626142.db2.gz PTKMDTPUUOMOHY-UHFFFAOYSA-N -1 1 328.332 2.881 20 5 EFBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cc(F)c(Cl)cc2F)no1 ZINC001212893097 1290626973 /nfs/dbraw/zinc/62/69/73/1290626973.db2.gz MDHDPMKGJGWLNP-UHFFFAOYSA-N -1 1 327.634 2.967 20 5 EFBDMM O=C1CCCc2ccc(-c3noc(-c4[n-]cnc4[N+](=O)[O-])n3)cc21 ZINC001212892901 1290629445 /nfs/dbraw/zinc/62/94/45/1290629445.db2.gz BFGWWEFIYXGVRI-UHFFFAOYSA-N -1 1 325.284 2.554 20 5 EFBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2F)c1F ZINC000126178088 1291034886 /nfs/dbraw/zinc/03/48/86/1291034886.db2.gz HQVNDJVGXXQIJK-UHFFFAOYSA-N -1 1 328.296 2.982 20 5 EFBDMM COC(C[C@H](C)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)OC ZINC001233500905 1312944448 /nfs/dbraw/zinc/94/44/48/1312944448.db2.gz WBCZSGIIGXEOFO-ZETCQYMHSA-N -1 1 329.740 2.901 20 5 EFBDMM CCOC(=O)C1CC(Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)C1 ZINC001233497095 1312942945 /nfs/dbraw/zinc/94/29/45/1312942945.db2.gz FAONJXKMHMUKOH-UHFFFAOYSA-N -1 1 339.735 2.845 20 5 EFBDMM C=CC(=O)OC[C@H](C)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233499714 1312943964 /nfs/dbraw/zinc/94/39/64/1312943964.db2.gz PQHDGOJYHILQIF-ZETCQYMHSA-N -1 1 325.708 2.621 20 5 EFBDMM CC(=O)N1CCC[C@@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)C1 ZINC001233499224 1312943973 /nfs/dbraw/zinc/94/39/73/1312943973.db2.gz NJFUICGQNILUMS-SECBINFHSA-N -1 1 338.751 2.514 20 5 EFBDMM C[C@H](O)CCCC(=O)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233501005 1312944743 /nfs/dbraw/zinc/94/47/43/1312944743.db2.gz WPKYEHWMGVBHPC-ZETCQYMHSA-N -1 1 327.724 2.581 20 5 EFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCCOC(C)C)cc1F ZINC000867091073 1293479325 /nfs/dbraw/zinc/47/93/25/1293479325.db2.gz YZYWRVGDTMRHNQ-UHFFFAOYSA-N -1 1 348.396 2.526 20 5 EFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccccc1F ZINC000101568534 1293776359 /nfs/dbraw/zinc/77/63/59/1293776359.db2.gz XEHHUHJWQKCFDT-UHFFFAOYSA-N -1 1 344.751 2.866 20 5 EFBDMM CCO[C@H](C)COc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234123615 1313061464 /nfs/dbraw/zinc/06/14/64/1313061464.db2.gz DULGRVCACOAFKC-SECBINFHSA-N -1 1 346.335 2.867 20 5 EFBDMM O=c1c2c(O)ccc(O)c2oc2cc([O-])cc(OC3CCOCC3)c12 ZINC001234119521 1313061741 /nfs/dbraw/zinc/06/17/41/1313061741.db2.gz OMBCBJSKQMYALZ-UHFFFAOYSA-N -1 1 344.319 2.621 20 5 EFBDMM O=c1c2cc(O)ccc2oc2cc([O-])cc(O[C@H]3CCCOC3)c12 ZINC001234744442 1313187620 /nfs/dbraw/zinc/18/76/20/1313187620.db2.gz MHVMPFRRQZQSQS-LBPRGKRZSA-N -1 1 328.320 2.915 20 5 EFBDMM CC(C)OC(=O)COc1cc([O-])cc2oc3c(O)cccc3c(=O)c12 ZINC001234742915 1313188219 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20 5 EFBDMM CN(C)c1nc(Nc2c(F)ccc([N+](=O)[O-])c2F)c(N=O)c(=O)[n-]1 ZINC001215289597 1314809639 /nfs/dbraw/zinc/80/96/39/1314809639.db2.gz OVMSUSLIEPLJPQ-UHFFFAOYSA-N -1 1 340.246 2.576 20 5 EFBDMM C[C@H]1CC[C@H](Oc2cc3c([O-])c4c(=O)cccc-4oc3cc2[O-])C[NH2+]1 ZINC001218398708 1315189758 /nfs/dbraw/zinc/18/97/58/1315189758.db2.gz MGQQFUVEOKOSRV-QWRGUYRKSA-N -1 1 341.363 2.877 20 5 EFBDMM Cc1ccc(C(=O)c2cc([O-])c(O[C@H]3C[C@@H](O)C3)c([N+](=O)[O-])c2)cc1 ZINC001218416850 1315192382 /nfs/dbraw/zinc/19/23/82/1315192382.db2.gz HFGGRHOMOSPDHR-OKILXGFUSA-N -1 1 343.335 2.742 20 5 EFBDMM COc1cc([N+](=O)[O-])cc(-c2nc3ccc(N(C)C)cc3[nH]2)c1[O-] ZINC001250820836 1315272508 /nfs/dbraw/zinc/27/25/08/1315272508.db2.gz RNKJMDYEQUGUIC-UHFFFAOYSA-N -1 1 328.328 2.918 20 5 EFBDMM COCCn1c2cccc(F)c2nc1-c1cc([N+](=O)[O-])c(O)cc1[O-] ZINC001251087742 1315320592 /nfs/dbraw/zinc/32/05/92/1315320592.db2.gz QPBVNCAPTPEEKV-UHFFFAOYSA-N -1 1 347.302 2.808 20 5 EFBDMM COCCn1c2cccc(F)c2nc1-c1cc([N+](=O)[O-])c([O-])cc1O ZINC001251087742 1315320596 /nfs/dbraw/zinc/32/05/96/1315320596.db2.gz QPBVNCAPTPEEKV-UHFFFAOYSA-N -1 1 347.302 2.808 20 5 EFBDMM COc1cc([O-])c(-c2nc3cc4c(cc3[nH]2)OCC4)cc1[N+](=O)[O-] ZINC001251778366 1315377753 /nfs/dbraw/zinc/37/77/53/1315377753.db2.gz FGKPHJIDZKRHDN-UHFFFAOYSA-N -1 1 327.296 2.787 20 5 EFBDMM CC(C)([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC001323189554 1329521502 /nfs/dbraw/zinc/52/15/02/1329521502.db2.gz IYXPVYPWZDHDTI-UHFFFAOYSA-N -1 1 327.406 2.627 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1C=CCCC1 ZINC001324475844 1329631363 /nfs/dbraw/zinc/63/13/63/1329631363.db2.gz NRSIIFJUPWKHFD-QMMMGPOBSA-N -1 1 334.756 2.774 20 5 EFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1 ZINC000849464622 1335624154 /nfs/dbraw/zinc/62/41/54/1335624154.db2.gz YSUGZTCUTJVQEC-SNVBAGLBSA-N -1 1 336.772 2.854 20 5 EFBDMM COc1cc(-c2nnn[n-]2)ccc1O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000737023103 1427061905 /nfs/dbraw/zinc/06/19/05/1427061905.db2.gz ARGIYVQQORZQJH-JTQLQIEISA-N -1 1 341.327 2.924 20 5 EFBDMM C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccccc1[N+](=O)[O-] ZINC000824656232 1427338227 /nfs/dbraw/zinc/33/82/27/1427338227.db2.gz JJZQRKIOOVGXGF-MRVPVSSYSA-N -1 1 345.750 2.996 20 5 EFBDMM CC1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000736274699 1427679168 /nfs/dbraw/zinc/67/91/68/1427679168.db2.gz BJISXPHSTOJQIM-UHFFFAOYSA-N -1 1 339.359 2.559 20 5 EFBDMM COc1ccc(CNc2ccc(F)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821821602 1428434484 /nfs/dbraw/zinc/43/44/84/1428434484.db2.gz MUNWUENZILCKNL-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM COc1ccc(-c2nnn[n-]2)cc1CNc1cc([N+](=O)[O-])ccc1C ZINC000821732910 1428641161 /nfs/dbraw/zinc/64/11/61/1428641161.db2.gz WYSZWKGDUPSLKU-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)c(-c2nnn[n-]2)c1 ZINC000823640229 1428683700 /nfs/dbraw/zinc/68/37/00/1428683700.db2.gz YHWWOBOMNQBVPX-XOKHGSTOSA-N -1 1 348.366 2.915 20 5 EFBDMM CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000821426724 1428928727 /nfs/dbraw/zinc/92/87/27/1428928727.db2.gz HLVRYSLXCVVGES-UHFFFAOYSA-N -1 1 340.343 2.786 20 5 EFBDMM O=[N+]([O-])c1ccc2nc(NC3CCCC3)cc(-c3nnn[n-]3)c2c1 ZINC000738367229 1428957616 /nfs/dbraw/zinc/95/76/16/1428957616.db2.gz OEXBXOHFGMWCKF-UHFFFAOYSA-N -1 1 325.332 2.678 20 5 EFBDMM O=[N+]([O-])c1ccc(COc2ccc(-c3nnn[n-]3)c(F)c2)c(F)c1 ZINC000823640110 1428989338 /nfs/dbraw/zinc/98/93/38/1428989338.db2.gz SVTGIQSDUIVOSQ-UHFFFAOYSA-N -1 1 333.254 2.632 20 5 EFBDMM COc1ccc(CNc2ccc(F)cc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826203799 1423581334 /nfs/dbraw/zinc/58/13/34/1423581334.db2.gz GRWSKNLJZLGOEG-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000119844305 1423800463 /nfs/dbraw/zinc/80/04/63/1423800463.db2.gz NGEZBFOMCOKMOY-UHFFFAOYSA-N -1 1 344.718 2.681 20 5 EFBDMM COc1ccc(COc2ccc(C)c([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826207642 1424749738 /nfs/dbraw/zinc/74/97/38/1424749738.db2.gz WLLHWMVNRWZSCQ-UHFFFAOYSA-N -1 1 341.327 2.671 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1COc1ccc(-c2nnn[n-]2)cc1F ZINC000821845412 1424850229 /nfs/dbraw/zinc/85/02/29/1424850229.db2.gz FXDHKCODCZTHBR-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM C[C@H]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)C1 ZINC000824919183 1425135286 /nfs/dbraw/zinc/13/52/86/1425135286.db2.gz SOYGBUHRYQHQDF-MEDUHNTESA-N -1 1 328.376 2.791 20 5 EFBDMM CCc1ccc(OC(=O)c2sccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000736690329 1425403617 /nfs/dbraw/zinc/40/36/17/1425403617.db2.gz JBKASXHSAZNTFP-UHFFFAOYSA-N -1 1 345.340 2.618 20 5 EFBDMM C[C@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000824605869 1425561557 /nfs/dbraw/zinc/56/15/57/1425561557.db2.gz MROIJNCMNHKXAI-JTQLQIEISA-N -1 1 342.334 2.765 20 5 EFBDMM Cc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ncc1[N+](=O)[O-] ZINC000822209730 1425583019 /nfs/dbraw/zinc/58/30/19/1425583019.db2.gz UKWUELPKMYCUJL-SNVBAGLBSA-N -1 1 325.332 2.651 20 5 EFBDMM O=[N+]([O-])c1cnc(N2CCC3(CCCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000738369215 1425599940 /nfs/dbraw/zinc/59/99/40/1425599940.db2.gz JKPOIHDXVOBXJI-UHFFFAOYSA-N -1 1 343.391 2.721 20 5 EFBDMM CS[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)(C)C ZINC000826225645 1426213543 /nfs/dbraw/zinc/21/35/43/1426213543.db2.gz HPJVABZEDJSRJO-GFCCVEGCSA-N -1 1 336.421 2.965 20 5 EFBDMM CN(CCC1CC1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825918222 1426228930 /nfs/dbraw/zinc/22/89/30/1426228930.db2.gz BESALDNFFMCAIN-UHFFFAOYSA-N -1 1 339.359 2.559 20 5 EFBDMM COc1cc([N+](=O)[O-])ccc1Oc1cccc(F)c1-c1nnn[n-]1 ZINC000737052988 1426606945 /nfs/dbraw/zinc/60/69/45/1426606945.db2.gz XMLQHAOSXFCLMV-UHFFFAOYSA-N -1 1 331.263 2.715 20 5 EFBDMM CC1(C)C[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C(C)(C)O1 ZINC000824789624 1427044244 /nfs/dbraw/zinc/04/42/44/1427044244.db2.gz ILIKVIKAPYTVND-GFCCVEGCSA-N -1 1 332.364 2.533 20 5 EFBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1cccc(-c2nnn[n-]2)n1 ZINC000826267630 1427590186 /nfs/dbraw/zinc/59/01/86/1427590186.db2.gz NSXIWULYRSMHOW-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM CC(C)Oc1ccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000820178031 1429779865 /nfs/dbraw/zinc/77/98/65/1429779865.db2.gz FLGLGLIFJRDACT-UHFFFAOYSA-N -1 1 342.315 2.749 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@H]1c1ccco1 ZINC000738360371 1429795858 /nfs/dbraw/zinc/79/58/58/1429795858.db2.gz VZMSVBKBXGOHCQ-LBPRGKRZSA-N -1 1 326.316 2.709 20 5 EFBDMM Cc1cc(Oc2cc(Cl)ccc2-c2nnn[n-]2)ncc1[N+](=O)[O-] ZINC000822211668 1429955349 /nfs/dbraw/zinc/95/53/49/1429955349.db2.gz KDGZDWNIJNCEGJ-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM CC(C)n1cc([C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cn1 ZINC000736140634 1429956950 /nfs/dbraw/zinc/95/69/50/1429956950.db2.gz YEGFSNBFMZEKQH-JTQLQIEISA-N -1 1 342.363 2.725 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc2ccccc2c1 ZINC000823624899 1430131346 /nfs/dbraw/zinc/13/13/46/1430131346.db2.gz JUUVAOZITDDNBG-UHFFFAOYSA-N -1 1 347.338 2.935 20 5 EFBDMM CCS[C@H]1CCCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736664025 1441629741 /nfs/dbraw/zinc/62/97/41/1441629741.db2.gz HLNMNHABRBSATE-LBPRGKRZSA-N -1 1 348.432 2.887 20 5 EFBDMM CC(C)Oc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000735913471 1441888484 /nfs/dbraw/zinc/88/84/84/1441888484.db2.gz PBNDSYKIIPGWDZ-UHFFFAOYSA-N -1 1 342.315 2.749 20 5 EFBDMM Cc1ccc([C@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])s1 ZINC000822229524 1441941524 /nfs/dbraw/zinc/94/15/24/1441941524.db2.gz WKPVJBDWJXAZMA-QMMMGPOBSA-N -1 1 331.361 2.713 20 5 EFBDMM O=[N+]([O-])c1cnc(Sc2ccccc2Cl)c(-c2nnn[n-]2)c1 ZINC000823651744 1442061242 /nfs/dbraw/zinc/06/12/42/1442061242.db2.gz OGGMXZOHAHSBSS-UHFFFAOYSA-N -1 1 334.748 2.975 20 5 EFBDMM CC(=O)c1ccc(OCc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000824030149 1442087163 /nfs/dbraw/zinc/08/71/63/1442087163.db2.gz WQVUIKNGLBUVHY-UHFFFAOYSA-N -1 1 339.311 2.557 20 5 EFBDMM CCS[C@H]1CCC[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821453948 1442289839 /nfs/dbraw/zinc/28/98/39/1442289839.db2.gz BWTQOGGEPLNQOU-AAEUAGOBSA-N -1 1 334.405 2.861 20 5 EFBDMM COc1ccc(-c2nnn[n-]2)cc1CNc1cccc([N+](=O)[O-])c1C ZINC000821736267 1442417555 /nfs/dbraw/zinc/41/75/55/1442417555.db2.gz IHLVCWNFSJSZSZ-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM Cc1cc([N+](=O)[O-])cnc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737283550 1443121025 /nfs/dbraw/zinc/12/10/25/1443121025.db2.gz DVIJNOJBGJMMJE-SNVBAGLBSA-N -1 1 325.332 2.651 20 5 EFBDMM CC(C)C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC000824243207 1443304176 /nfs/dbraw/zinc/30/41/76/1443304176.db2.gz FCPQQHNCFBFBJQ-CHWSQXEVSA-N -1 1 346.391 2.781 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H](c1cccnc1)C1CC1 ZINC000826497311 1443617467 /nfs/dbraw/zinc/61/74/67/1443617467.db2.gz CCNAJQXPGIXAOF-HNNXBMFYSA-N -1 1 337.343 2.733 20 5 EFBDMM C[C@H](OC(=O)c1sccc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824730973 1443976702 /nfs/dbraw/zinc/97/67/02/1443976702.db2.gz RSDHSSXTNHVBSB-QMMMGPOBSA-N -1 1 345.340 2.754 20 5 EFBDMM Cc1cnc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000822394854 1446094294 /nfs/dbraw/zinc/09/42/94/1446094294.db2.gz KHMIYSNIEBCFIT-JTQLQIEISA-N -1 1 325.332 2.651 20 5 EFBDMM CCS[C@@H]1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821446679 1446228458 /nfs/dbraw/zinc/22/84/58/1446228458.db2.gz CHHBANJITVSUGZ-NWDGAFQWSA-N -1 1 348.432 2.885 20 5 EFBDMM COc1cc(-c2nnn[n-]2)ccc1COc1cc(C)ccc1[N+](=O)[O-] ZINC000826173062 1446243794 /nfs/dbraw/zinc/24/37/94/1446243794.db2.gz LKQYFJZFKRYKFC-UHFFFAOYSA-N -1 1 341.327 2.671 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000823630547 1446243854 /nfs/dbraw/zinc/24/38/54/1446243854.db2.gz ZZJGQZWVCHTMEF-CKEIUWERSA-N -1 1 348.366 2.773 20 5 EFBDMM C[C@@H](OC(=O)c1sccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000736164881 1446436457 /nfs/dbraw/zinc/43/64/57/1446436457.db2.gz QLZDXZGLWFPAPD-MRVPVSSYSA-N -1 1 345.340 2.754 20 5 EFBDMM O=[N+]([O-])c1cccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000826499691 1446556402 /nfs/dbraw/zinc/55/64/02/1446556402.db2.gz SKXZTDOCMXVRJI-UHFFFAOYSA-N -1 1 347.338 2.935 20 5 EFBDMM C[C@@H](CCc1ccccc1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820254486 1446886271 /nfs/dbraw/zinc/88/62/71/1446886271.db2.gz QBTVLVFGFRBWEG-NSHDSACASA-N -1 1 339.359 2.603 20 5 EFBDMM C[C@]1(c2ccccc2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820637557 1447064158 /nfs/dbraw/zinc/06/41/58/1447064158.db2.gz ZLKKXPTZKGWULB-DOTOQJQBSA-N -1 1 336.355 2.917 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(Oc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000822270984 1447127331 /nfs/dbraw/zinc/12/73/31/1447127331.db2.gz GYOQAVNPHYOZFT-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM CO[C@H](C)c1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000736962147 1447197752 /nfs/dbraw/zinc/19/77/52/1447197752.db2.gz NIXKGPRWSLLOHA-SECBINFHSA-N -1 1 341.331 2.621 20 5 EFBDMM Cc1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826291983 1447231917 /nfs/dbraw/zinc/23/19/17/1447231917.db2.gz DEMBSKHWBFVZRO-UHFFFAOYSA-N -1 1 329.291 2.801 20 5 EFBDMM Cc1cccc2c1CC[C@H]2Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822340992 1449010114 /nfs/dbraw/zinc/01/01/14/1449010114.db2.gz PWAAIZUOIWDWFQ-CYBMUJFWSA-N -1 1 337.343 2.578 20 5 EFBDMM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822195274 1449110851 /nfs/dbraw/zinc/11/08/51/1449110851.db2.gz MPGUKWNPQWASOL-UHFFFAOYSA-N -1 1 344.356 2.706 20 5 EFBDMM C[C@@H]1CCC[C@H](CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736252804 1449132423 /nfs/dbraw/zinc/13/24/23/1449132423.db2.gz RUJVUMZFFMDEDI-GHMZBOCLSA-N -1 1 331.380 2.798 20 5 EFBDMM CCc1ccc([C@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821482253 1449246707 /nfs/dbraw/zinc/24/67/07/1449246707.db2.gz RNXJXOKDQZTHPE-JTQLQIEISA-N -1 1 339.359 2.905 20 5 EFBDMM CS[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)(C)C ZINC000826225646 1449368489 /nfs/dbraw/zinc/36/84/89/1449368489.db2.gz HPJVABZEDJSRJO-LBPRGKRZSA-N -1 1 336.421 2.965 20 5 EFBDMM C[C@@H]1CCC[C@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820697627 1449399321 /nfs/dbraw/zinc/39/93/21/1449399321.db2.gz JQMOUDUMPHRPAS-NOZJJQNGSA-N -1 1 339.359 2.924 20 5 EFBDMM CSc1cc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])ccn1 ZINC000826230243 1449403924 /nfs/dbraw/zinc/40/39/24/1449403924.db2.gz KWHDKFBYGNJYGH-UHFFFAOYSA-N -1 1 343.372 2.504 20 5 EFBDMM COCc1ccccc1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821695907 1449500918 /nfs/dbraw/zinc/50/09/18/1449500918.db2.gz MXJTYKCAERRLKP-UHFFFAOYSA-N -1 1 340.343 2.533 20 5 EFBDMM COc1ccc(-c2nnn[n-]2)cc1COc1ccc([N+](=O)[O-])cc1C ZINC000826184780 1449729587 /nfs/dbraw/zinc/72/95/87/1449729587.db2.gz KMMISYBDHQCMBP-UHFFFAOYSA-N -1 1 341.327 2.671 20 5 EFBDMM COc1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000737112679 1449768269 /nfs/dbraw/zinc/76/82/69/1449768269.db2.gz XZFGRBSEKQBWGO-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM O=[N+]([O-])c1cc(F)cc(OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000823634218 1449799776 /nfs/dbraw/zinc/79/97/76/1449799776.db2.gz DOLKPYYIERYGTO-UHFFFAOYSA-N -1 1 333.254 2.632 20 5 EFBDMM COc1ccc(CNc2cc(-c3nnn[n-]3)ccc2C)cc1[N+](=O)[O-] ZINC000826203604 1449842534 /nfs/dbraw/zinc/84/25/34/1449842534.db2.gz XHIDIRQDPXTKBC-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM Cc1ccccc1CSc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822361712 1449895518 /nfs/dbraw/zinc/89/55/18/1449895518.db2.gz HETGAXWGTGPNJM-UHFFFAOYSA-N -1 1 328.357 2.771 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737369034 1449972262 /nfs/dbraw/zinc/97/22/62/1449972262.db2.gz QEZDYYYVUHGNRR-UHFFFAOYSA-N -1 1 329.291 2.801 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H]1c1cccnc1 ZINC000826497609 1450109080 /nfs/dbraw/zinc/10/90/80/1450109080.db2.gz NEENVSYAVSIZDM-ZDUSSCGKSA-N -1 1 337.343 2.511 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Sc1nnc(C2CC2)s1 ZINC000823635186 1450436060 /nfs/dbraw/zinc/43/60/60/1450436060.db2.gz RSWIFSSTYUNXLF-UHFFFAOYSA-N -1 1 347.385 2.655 20 5 EFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cs1 ZINC000120244180 713030521 /nfs/dbraw/zinc/03/05/21/713030521.db2.gz OGNJRNVSWYWHFB-UHFFFAOYSA-N -1 1 338.288 2.874 20 5 EFBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC000067539325 724430270 /nfs/dbraw/zinc/43/02/70/724430270.db2.gz MGVHPOHOSUPKIE-UHFFFAOYSA-N -1 1 335.247 2.903 20 5 EFBDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000006316538 724950957 /nfs/dbraw/zinc/95/09/57/724950957.db2.gz CXJMUVLMOMBABQ-UHFFFAOYSA-N -1 1 340.332 2.933 20 5 EFBDMM O=[N+]([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2cncc(F)c2)c1 ZINC000800929929 726188814 /nfs/dbraw/zinc/18/88/14/726188814.db2.gz AYOICCOYGPJJKK-UHFFFAOYSA-N -1 1 331.712 2.583 20 5 EFBDMM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1c([O-])cccc1Cl ZINC000731838641 726940553 /nfs/dbraw/zinc/94/05/53/726940553.db2.gz MPUXTMTVQUQGBN-UHFFFAOYSA-N -1 1 336.731 2.763 20 5 EFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1F ZINC000032586220 727133809 /nfs/dbraw/zinc/13/38/09/727133809.db2.gz XRAAPSPJEHENJY-UHFFFAOYSA-N -1 1 344.295 2.682 20 5 EFBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccnc1 ZINC000170656301 728461545 /nfs/dbraw/zinc/46/15/45/728461545.db2.gz OJFZEVWHCMVUAD-SECBINFHSA-N -1 1 341.776 2.683 20 5 EFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C(C1CC1)C1CC1 ZINC000170658088 728461851 /nfs/dbraw/zinc/46/18/51/728461851.db2.gz GSFAAHCXZMBLTD-UHFFFAOYSA-N -1 1 330.793 2.715 20 5 EFBDMM COc1ccc(C)cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000921205448 729276092 /nfs/dbraw/zinc/27/60/92/729276092.db2.gz VFPRXJJIDRORFD-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1cccc([N+](=O)[O-])c1Br ZINC000235338858 960413249 /nfs/dbraw/zinc/41/32/49/960413249.db2.gz OWTHVYFQUKDKQA-PSASIEDQSA-N -1 1 343.177 2.652 20 5 EFBDMM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1cccc([N+](=O)[O-])c1Br ZINC000235605057 960465895 /nfs/dbraw/zinc/46/58/95/960465895.db2.gz OWTHVYFQUKDKQA-WPRPVWTQSA-N -1 1 343.177 2.652 20 5 EFBDMM COc1cc(CN[C@](C)(C(=O)[O-])c2ccccc2)c([N+](=O)[O-])cc1F ZINC001574184514 962822414 /nfs/dbraw/zinc/82/24/14/962822414.db2.gz CHUUSPYKIDWXLG-KRWDZBQOSA-N -1 1 348.330 2.832 20 5 EFBDMM CC[C@@H](C(=O)[O-])N(C)Cc1cccc([N+](=O)[O-])c1Br ZINC000234059354 967751535 /nfs/dbraw/zinc/75/15/35/967751535.db2.gz VXMFEBTVSMGAOQ-VIFPVBQESA-N -1 1 331.166 2.652 20 5 EFBDMM CC[C@@H](C(=O)[O-])N(C)Cc1cc([N+](=O)[O-])ccc1Br ZINC000923255395 969649005 /nfs/dbraw/zinc/64/90/05/969649005.db2.gz DWFWVQIZWPZYDM-NSHDSACASA-N -1 1 331.166 2.652 20 5 EFBDMM O=C([O-])CC[C@H]1CCCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001606123127 973364343 /nfs/dbraw/zinc/36/43/43/973364343.db2.gz QDBVCPFKUWZVGV-LLVKDONJSA-N -1 1 333.344 2.955 20 5 EFBDMM CC[C@@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC001595299373 980426454 /nfs/dbraw/zinc/42/64/54/980426454.db2.gz REQCGTKIOMCTHK-CQSZACIVSA-N -1 1 346.387 2.884 20 5 EFBDMM O=C([O-])[C@H]1CCCCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903697043 981015435 /nfs/dbraw/zinc/01/54/35/981015435.db2.gz GIFKJOXALILNFQ-GFCCVEGCSA-N -1 1 343.177 2.796 20 5 EFBDMM C[C@H](N[C@@H]1CCCn2nc(C(=O)[O-])cc21)c1ccc([N+](=O)[O-])cc1 ZINC001599902350 984862428 /nfs/dbraw/zinc/86/24/28/984862428.db2.gz YVLXAYHDSZMCDW-GXFFZTMASA-N -1 1 330.344 2.675 20 5 EFBDMM C[C@H](N[C@H]1CCCn2nc(C(=O)[O-])cc21)c1ccc([N+](=O)[O-])cc1 ZINC001599902349 984862905 /nfs/dbraw/zinc/86/29/05/984862905.db2.gz YVLXAYHDSZMCDW-GWCFXTLKSA-N -1 1 330.344 2.675 20 5 EFBDMM CC(C)(CC(=O)[O-])NCc1c(Br)cccc1[N+](=O)[O-] ZINC001590649866 990342409 /nfs/dbraw/zinc/34/24/09/990342409.db2.gz ZXLPDWBVUJQFAP-UHFFFAOYSA-N -1 1 331.166 2.700 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1CN[C@H](C(=O)[O-])c1ccccc1C ZINC001599622218 994100419 /nfs/dbraw/zinc/10/04/19/994100419.db2.gz CUJNBYXNQPCKSM-INIZCTEOSA-N -1 1 330.340 2.827 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1CN[C@](C)(C(=O)[O-])c1ccccc1 ZINC001599622675 994105450 /nfs/dbraw/zinc/10/54/50/994105450.db2.gz YPMPAEWRIGFGGB-KRWDZBQOSA-N -1 1 330.340 2.693 20 5 EFBDMM C[C@@](NCc1ccc([N+](=O)[O-])c(F)c1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593299869 994725235 /nfs/dbraw/zinc/72/52/35/994725235.db2.gz XDVCYDKRCOSGTJ-INIZCTEOSA-N -1 1 336.294 2.963 20 5 EFBDMM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)ccc1[N+](=O)[O-] ZINC001599414755 997485562 /nfs/dbraw/zinc/48/55/62/997485562.db2.gz RTXUWWRLDRJDMF-MRXNPFEDSA-N -1 1 348.330 2.966 20 5 EFBDMM O=C([O-])[C@@H]1C[C@@H]2CCC[C@@H]2N1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001574928174 1088156621 /nfs/dbraw/zinc/15/66/21/1088156621.db2.gz IHSFVDOJXQALEQ-YZMDESFKSA-N -1 1 326.299 2.701 20 5 EFBDMM Cc1cccc2c1CN(c1cccc(-c3nnn[n-]3)c1[N+](=O)[O-])CC2 ZINC001581248323 1091105764 /nfs/dbraw/zinc/10/57/64/1091105764.db2.gz XTFADKSPTOXWCR-UHFFFAOYSA-N -1 1 336.355 2.646 20 5 EFBDMM Cc1cccc2c1CN(c1cccc(-c3nn[n-]n3)c1[N+](=O)[O-])CC2 ZINC001581248323 1091105768 /nfs/dbraw/zinc/10/57/68/1091105768.db2.gz XTFADKSPTOXWCR-UHFFFAOYSA-N -1 1 336.355 2.646 20 5 EFBDMM O=[N+]([O-])c1cccc(F)c1CSc1cccnc1-c1nnn[n-]1 ZINC001582803938 1091669040 /nfs/dbraw/zinc/66/90/40/1091669040.db2.gz DJENPVRFZDKOBE-UHFFFAOYSA-N -1 1 332.320 2.601 20 5 EFBDMM O=[N+]([O-])c1cccc(F)c1CSc1cccnc1-c1nn[n-]n1 ZINC001582803938 1091669049 /nfs/dbraw/zinc/66/90/49/1091669049.db2.gz DJENPVRFZDKOBE-UHFFFAOYSA-N -1 1 332.320 2.601 20 5 EFBDMM O=[N+]([O-])c1cc(F)cc(Oc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001582803693 1091669325 /nfs/dbraw/zinc/66/93/25/1091669325.db2.gz QVBBDJKTPHFEKL-UHFFFAOYSA-N -1 1 346.234 2.615 20 5 EFBDMM O=[N+]([O-])c1cc(F)cc(Oc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001582803693 1091669327 /nfs/dbraw/zinc/66/93/27/1091669327.db2.gz QVBBDJKTPHFEKL-UHFFFAOYSA-N -1 1 346.234 2.615 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCc2c(F)cccc2C1 ZINC001582804552 1091670483 /nfs/dbraw/zinc/67/04/83/1091670483.db2.gz GSDINJYXXYFFAS-UHFFFAOYSA-N -1 1 346.347 2.538 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCc2c(F)cccc2C1 ZINC001582804552 1091670490 /nfs/dbraw/zinc/67/04/90/1091670490.db2.gz GSDINJYXXYFFAS-UHFFFAOYSA-N -1 1 346.347 2.538 20 5 EFBDMM CC(=O)c1ccc(Oc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001588917557 1093011537 /nfs/dbraw/zinc/01/15/37/1093011537.db2.gz RBIYFDHPEQWBCL-UHFFFAOYSA-N -1 1 343.274 2.909 20 5 EFBDMM CC(C)(C)C[C@@H]1C[C@H]1Nc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589132977 1093038477 /nfs/dbraw/zinc/03/84/77/1093038477.db2.gz WRKPQAWBUNSREX-QPUJVOFHSA-N -1 1 331.380 2.594 20 5 EFBDMM CC(C)(C)C[C@@H]1C[C@H]1Nc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001589132977 1093038483 /nfs/dbraw/zinc/03/84/83/1093038483.db2.gz WRKPQAWBUNSREX-QPUJVOFHSA-N -1 1 331.380 2.594 20 5 EFBDMM CC1(C)[C@@H](CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1(F)F ZINC001590077053 1093252504 /nfs/dbraw/zinc/25/25/04/1093252504.db2.gz OASIPHMJUPLCCU-SSDOTTSWSA-N -1 1 330.320 2.540 20 5 EFBDMM CC1(C)[C@@H](CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1(F)F ZINC001590077053 1093252508 /nfs/dbraw/zinc/25/25/08/1093252508.db2.gz OASIPHMJUPLCCU-SSDOTTSWSA-N -1 1 330.320 2.540 20 5 EFBDMM CC1(C)C[C@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCS1 ZINC001590083269 1093256066 /nfs/dbraw/zinc/25/60/66/1093256066.db2.gz CLIXYQHDJOKKTP-SNVBAGLBSA-N -1 1 334.405 2.861 20 5 EFBDMM C[C@]1(CCNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@]1(F)Cl ZINC001590128631 1093278381 /nfs/dbraw/zinc/27/83/81/1093278381.db2.gz ZSMZJOYIFGBICU-QWHCGFSZSA-N -1 1 340.746 2.892 20 5 EFBDMM C[C@]1(CCNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@]1(F)Cl ZINC001590128631 1093278392 /nfs/dbraw/zinc/27/83/92/1093278392.db2.gz ZSMZJOYIFGBICU-QWHCGFSZSA-N -1 1 340.746 2.892 20 5 EFBDMM C[C@@H]1[C@H](C(F)(F)F)CCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590167106 1093294091 /nfs/dbraw/zinc/29/40/91/1093294091.db2.gz KSMHYIJLHSXPDV-GMSGAONNSA-N -1 1 342.281 2.552 20 5 EFBDMM C[C@@H]1CC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001590237965 1093324649 /nfs/dbraw/zinc/32/46/49/1093324649.db2.gz RELULAYACQSXPW-OPRDCNLKSA-N -1 1 331.380 2.594 20 5 EFBDMM C[C@@H]1CC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001590237965 1093324657 /nfs/dbraw/zinc/32/46/57/1093324657.db2.gz RELULAYACQSXPW-OPRDCNLKSA-N -1 1 331.380 2.594 20 5 EFBDMM C[C@H]1CC[C@]2(CCN(c3cccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)C1 ZINC001590240206 1093327904 /nfs/dbraw/zinc/32/79/04/1093327904.db2.gz PRVMSMDXXRLFIG-ZBEGNZNMSA-N -1 1 328.376 2.791 20 5 EFBDMM C[C@H]1CC[C@]2(CCN(c3cccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)C1 ZINC001590240206 1093327911 /nfs/dbraw/zinc/32/79/11/1093327911.db2.gz PRVMSMDXXRLFIG-ZBEGNZNMSA-N -1 1 328.376 2.791 20 5 EFBDMM C[C@H]1c2ccsc2CCN1c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590336898 1093384571 /nfs/dbraw/zinc/38/45/71/1093384571.db2.gz FATHUJMUZBRKPC-VIFPVBQESA-N -1 1 342.384 2.960 20 5 EFBDMM C[C@H]1c2ccsc2CCN1c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590336898 1093384586 /nfs/dbraw/zinc/38/45/86/1093384586.db2.gz FATHUJMUZBRKPC-VIFPVBQESA-N -1 1 342.384 2.960 20 5 EFBDMM CC[C@@H](C)[C@H](CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)OC ZINC001590399543 1093403556 /nfs/dbraw/zinc/40/35/56/1093403556.db2.gz JKQVTBKPRPICDF-RNCFNFMXSA-N -1 1 334.380 2.556 20 5 EFBDMM CC[C@@H](C)[C@H](CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)OC ZINC001590399543 1093403560 /nfs/dbraw/zinc/40/35/60/1093403560.db2.gz JKQVTBKPRPICDF-RNCFNFMXSA-N -1 1 334.380 2.556 20 5 EFBDMM CC[C@H](CC(F)(F)F)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590421199 1093414286 /nfs/dbraw/zinc/41/42/86/1093414286.db2.gz HSIZLGVHSVTBCK-SSDOTTSWSA-N -1 1 330.270 2.918 20 5 EFBDMM CC[C@H]1CCCC[C@@H]1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590513203 1093469223 /nfs/dbraw/zinc/46/92/23/1093469223.db2.gz UTLNKHYAIPHFHX-WDEREUQCSA-N -1 1 331.380 2.798 20 5 EFBDMM CC[C@H]1CCCC[C@@H]1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590513203 1093469226 /nfs/dbraw/zinc/46/92/26/1093469226.db2.gz UTLNKHYAIPHFHX-WDEREUQCSA-N -1 1 331.380 2.798 20 5 EFBDMM CCCC1(CNc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCC1 ZINC001590566605 1093490368 /nfs/dbraw/zinc/49/03/68/1093490368.db2.gz WYOGXMUJOLPVHS-UHFFFAOYSA-N -1 1 331.380 2.739 20 5 EFBDMM CCCC1(CNc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCC1 ZINC001590566605 1093490373 /nfs/dbraw/zinc/49/03/73/1093490373.db2.gz WYOGXMUJOLPVHS-UHFFFAOYSA-N -1 1 331.380 2.739 20 5 EFBDMM CCCO[C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001590641241 1093528206 /nfs/dbraw/zinc/52/82/06/1093528206.db2.gz OQLJHPPOZUYZBV-ZDUSSCGKSA-N -1 1 346.391 2.560 20 5 EFBDMM CCCO[C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001590641241 1093528209 /nfs/dbraw/zinc/52/82/09/1093528209.db2.gz OQLJHPPOZUYZBV-ZDUSSCGKSA-N -1 1 346.391 2.560 20 5 EFBDMM CCS[C@H]1CCC[C@@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590850854 1093597447 /nfs/dbraw/zinc/59/74/47/1093597447.db2.gz PVTGEYYDDBOZNY-CBAPKCEASA-N -1 1 340.434 2.923 20 5 EFBDMM CCS[C@H]1CCC[C@@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590850854 1093597458 /nfs/dbraw/zinc/59/74/58/1093597458.db2.gz PVTGEYYDDBOZNY-CBAPKCEASA-N -1 1 340.434 2.923 20 5 EFBDMM CCc1ccc(Oc2snc(C)c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590891785 1093619945 /nfs/dbraw/zinc/61/99/45/1093619945.db2.gz SJOOQFLEDQOEJA-UHFFFAOYSA-N -1 1 332.345 2.895 20 5 EFBDMM CCc1ccc(Oc2snc(C)c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590891785 1093619951 /nfs/dbraw/zinc/61/99/51/1093619951.db2.gz SJOOQFLEDQOEJA-UHFFFAOYSA-N -1 1 332.345 2.895 20 5 EFBDMM COc1ccc2c(c1)CCN2c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591626601 1093805044 /nfs/dbraw/zinc/80/50/44/1093805044.db2.gz LSMOFKYCVYOJOX-UHFFFAOYSA-N -1 1 344.356 2.539 20 5 EFBDMM COc1ccc2c(c1)CCN2c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591626601 1093805048 /nfs/dbraw/zinc/80/50/48/1093805048.db2.gz LSMOFKYCVYOJOX-UHFFFAOYSA-N -1 1 344.356 2.539 20 5 EFBDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Oc1c(C)cc(C)cc1[N+](=O)[O-] ZINC001591948631 1093928626 /nfs/dbraw/zinc/92/86/26/1093928626.db2.gz BJKOMEBDSHUXHE-UHFFFAOYSA-N -1 1 343.299 2.512 20 5 EFBDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Oc1c(C)cc(C)cc1[N+](=O)[O-] ZINC001591948631 1093928630 /nfs/dbraw/zinc/92/86/30/1093928630.db2.gz BJKOMEBDSHUXHE-UHFFFAOYSA-N -1 1 343.299 2.512 20 5 EFBDMM Cc1cc(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1F ZINC001591970421 1093938612 /nfs/dbraw/zinc/93/86/12/1093938612.db2.gz GYQCNCRSHQFHOX-UHFFFAOYSA-N -1 1 328.307 2.835 20 5 EFBDMM Cc1cc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1F ZINC001591970421 1093938616 /nfs/dbraw/zinc/93/86/16/1093938616.db2.gz GYQCNCRSHQFHOX-UHFFFAOYSA-N -1 1 328.307 2.835 20 5 EFBDMM Cc1cc(N2CC[C@@H]3CCCC[C@@H]32)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592009556 1093953119 /nfs/dbraw/zinc/95/31/19/1093953119.db2.gz IQTDBVNRLNJOOG-FZMZJTMJSA-N -1 1 328.376 2.852 20 5 EFBDMM Cc1cc(N2CC[C@@H]3CCCC[C@@H]32)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592009556 1093953125 /nfs/dbraw/zinc/95/31/25/1093953125.db2.gz IQTDBVNRLNJOOG-FZMZJTMJSA-N -1 1 328.376 2.852 20 5 EFBDMM Cc1cc(NCC2(OC(C)C)CCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592043071 1093964780 /nfs/dbraw/zinc/96/47/80/1093964780.db2.gz YJSSTDRVITZFRV-UHFFFAOYSA-N -1 1 346.391 2.843 20 5 EFBDMM Cc1cc(NCC2(OC(C)C)CCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592043071 1093964784 /nfs/dbraw/zinc/96/47/84/1093964784.db2.gz YJSSTDRVITZFRV-UHFFFAOYSA-N -1 1 346.391 2.843 20 5 EFBDMM Cc1cc(NCCC[C@@H]2CCCCO2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592046705 1093966152 /nfs/dbraw/zinc/96/61/52/1093966152.db2.gz FVWRSKREGUSUSE-ZDUSSCGKSA-N -1 1 346.391 2.845 20 5 EFBDMM Cc1cc(NCCC[C@@H]2CCCCO2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592046705 1093966156 /nfs/dbraw/zinc/96/61/56/1093966156.db2.gz FVWRSKREGUSUSE-ZDUSSCGKSA-N -1 1 346.391 2.845 20 5 EFBDMM Cc1cc(NCCCOCC(C)C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592048487 1093967467 /nfs/dbraw/zinc/96/74/67/1093967467.db2.gz FBDKEWCPZXLKOK-UHFFFAOYSA-N -1 1 334.380 2.558 20 5 EFBDMM Cc1cc(NCCCOCC(C)C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592048487 1093967471 /nfs/dbraw/zinc/96/74/71/1093967471.db2.gz FBDKEWCPZXLKOK-UHFFFAOYSA-N -1 1 334.380 2.558 20 5 EFBDMM Cc1ccc(COC(=O)c2csc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC001592171152 1094013203 /nfs/dbraw/zinc/01/32/03/1094013203.db2.gz WZVRTYMRIYHXGP-UHFFFAOYSA-N -1 1 345.340 2.502 20 5 EFBDMM Cc1ccc(COC(=O)c2csc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC001592171152 1094013206 /nfs/dbraw/zinc/01/32/06/1094013206.db2.gz WZVRTYMRIYHXGP-UHFFFAOYSA-N -1 1 345.340 2.502 20 5 EFBDMM Cc1ccncc1[C@H](C)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592277745 1094064145 /nfs/dbraw/zinc/06/41/45/1094064145.db2.gz WWVSQYMZJNSRSD-JTQLQIEISA-N -1 1 325.332 2.651 20 5 EFBDMM Cc1ccncc1[C@H](C)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592277745 1094064149 /nfs/dbraw/zinc/06/41/49/1094064149.db2.gz WWVSQYMZJNSRSD-JTQLQIEISA-N -1 1 325.332 2.651 20 5 EFBDMM Cc1csc([C@@H](C)Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])n1 ZINC001592313821 1094073669 /nfs/dbraw/zinc/07/36/69/1094073669.db2.gz XFFSEWGRMIECBN-ZCFIWIBFSA-N -1 1 337.390 2.774 20 5 EFBDMM Cc1csc([C@@H](C)Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])n1 ZINC001592313821 1094073674 /nfs/dbraw/zinc/07/36/74/1094073674.db2.gz XFFSEWGRMIECBN-ZCFIWIBFSA-N -1 1 337.390 2.774 20 5 EFBDMM Cc1nc(Sc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])sc1C ZINC001592399764 1094099879 /nfs/dbraw/zinc/09/98/79/1094099879.db2.gz RHIJRVLVOULWJY-UHFFFAOYSA-N -1 1 334.386 2.999 20 5 EFBDMM Cc1nc(Sc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])sc1C ZINC001592399764 1094099887 /nfs/dbraw/zinc/09/98/87/1094099887.db2.gz RHIJRVLVOULWJY-UHFFFAOYSA-N -1 1 334.386 2.999 20 5 EFBDMM Nc1cc(N2CCCC3(CCCC3)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759878 1094185333 /nfs/dbraw/zinc/18/53/33/1094185333.db2.gz JHUPTCZDVASKGI-UHFFFAOYSA-N -1 1 343.391 2.518 20 5 EFBDMM Nc1cc(N2CCCC3(CCCC3)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759878 1094185335 /nfs/dbraw/zinc/18/53/35/1094185335.db2.gz JHUPTCZDVASKGI-UHFFFAOYSA-N -1 1 343.391 2.518 20 5 EFBDMM Nc1cc(NCc2cccc(Cl)c2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759208 1094185997 /nfs/dbraw/zinc/18/59/97/1094185997.db2.gz IWFCLKQQUOGWMR-UHFFFAOYSA-N -1 1 345.750 2.623 20 5 EFBDMM Nc1cc(NCc2cccc(Cl)c2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759208 1094185999 /nfs/dbraw/zinc/18/59/99/1094185999.db2.gz IWFCLKQQUOGWMR-UHFFFAOYSA-N -1 1 345.750 2.623 20 5 EFBDMM O=[N+]([O-])c1c(N[C@@H](c2cccnc2)C2CC2)cccc1-c1nnn[n-]1 ZINC001593466355 1094308441 /nfs/dbraw/zinc/30/84/41/1094308441.db2.gz ZKXTVNISNMBMRX-CQSZACIVSA-N -1 1 337.343 2.733 20 5 EFBDMM O=[N+]([O-])c1c(N[C@@H](c2cccnc2)C2CC2)cccc1-c1nn[n-]n1 ZINC001593466355 1094308446 /nfs/dbraw/zinc/30/84/46/1094308446.db2.gz ZKXTVNISNMBMRX-CQSZACIVSA-N -1 1 337.343 2.733 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCC1=CCCCCC1 ZINC001593465726 1094308766 /nfs/dbraw/zinc/30/87/66/1094308766.db2.gz XQVRUNRXWGBECC-UHFFFAOYSA-N -1 1 329.364 2.862 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCC1=CCCCCC1 ZINC001593465726 1094308776 /nfs/dbraw/zinc/30/87/76/1094308776.db2.gz XQVRUNRXWGBECC-UHFFFAOYSA-N -1 1 329.364 2.862 20 5 EFBDMM O=[N+]([O-])c1c(N[C@@H]2CCOC3(CCCC3)C2)cccc1-c1nnn[n-]1 ZINC001593465420 1094309114 /nfs/dbraw/zinc/30/91/14/1094309114.db2.gz OCNBCLQQDARBNF-LLVKDONJSA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1c(N[C@@H]2CCOC3(CCCC3)C2)cccc1-c1nn[n-]n1 ZINC001593465420 1094309122 /nfs/dbraw/zinc/30/91/22/1094309122.db2.gz OCNBCLQQDARBNF-LLVKDONJSA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1c(N[C@H]2C[C@@]2(F)c2ccccc2)cccc1-c1nnn[n-]1 ZINC001593465469 1094309819 /nfs/dbraw/zinc/30/98/19/1094309819.db2.gz PFHQSHAFGVBUPM-XJKSGUPXSA-N -1 1 340.318 2.824 20 5 EFBDMM O=[N+]([O-])c1c(N[C@H]2C[C@@]2(F)c2ccccc2)cccc1-c1nn[n-]n1 ZINC001593465469 1094309828 /nfs/dbraw/zinc/30/98/28/1094309828.db2.gz PFHQSHAFGVBUPM-XJKSGUPXSA-N -1 1 340.318 2.824 20 5 EFBDMM O=[N+]([O-])c1c(N[C@H](c2cccnc2)C2CC2)cccc1-c1nnn[n-]1 ZINC001593466354 1094309917 /nfs/dbraw/zinc/30/99/17/1094309917.db2.gz ZKXTVNISNMBMRX-AWEZNQCLSA-N -1 1 337.343 2.733 20 5 EFBDMM O=[N+]([O-])c1c(N[C@H](c2cccnc2)C2CC2)cccc1-c1nn[n-]n1 ZINC001593466354 1094309925 /nfs/dbraw/zinc/30/99/25/1094309925.db2.gz ZKXTVNISNMBMRX-AWEZNQCLSA-N -1 1 337.343 2.733 20 5 EFBDMM O=[N+]([O-])c1c(NCC[C@H]2CCC3(CCC3)O2)cccc1-c1nnn[n-]1 ZINC001593465415 1094310027 /nfs/dbraw/zinc/31/00/27/1094310027.db2.gz OBXJNAHXQQUQFY-LLVKDONJSA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1c(NCC[C@H]2CCC3(CCC3)O2)cccc1-c1nn[n-]n1 ZINC001593465415 1094310031 /nfs/dbraw/zinc/31/00/31/1094310031.db2.gz OBXJNAHXQQUQFY-LLVKDONJSA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1c(NCc2cc(F)ccc2F)cccc1-c1nnn[n-]1 ZINC001593469531 1094314778 /nfs/dbraw/zinc/31/47/78/1094314778.db2.gz USCTZLFYDJJNOX-UHFFFAOYSA-N -1 1 332.270 2.665 20 5 EFBDMM O=[N+]([O-])c1c(NCc2cc(F)ccc2F)cccc1-c1nn[n-]n1 ZINC001593469531 1094314791 /nfs/dbraw/zinc/31/47/91/1094314791.db2.gz USCTZLFYDJJNOX-UHFFFAOYSA-N -1 1 332.270 2.665 20 5 EFBDMM O=[N+]([O-])c1cc(N2CC[C@H](CC(F)(F)F)C2)ccc1-c1nn[n-]n1 ZINC001593470211 1094315846 /nfs/dbraw/zinc/31/58/46/1094315846.db2.gz BBPDCVGHZHQHTO-MRVPVSSYSA-N -1 1 342.281 2.554 20 5 EFBDMM O=[N+]([O-])c1cc(N[C@H](c2cccnc2)C2CC2)ccc1-c1nn[n-]n1 ZINC001593474067 1094316857 /nfs/dbraw/zinc/31/68/57/1094316857.db2.gz OQSFLMOSNVPOIJ-HNNXBMFYSA-N -1 1 337.343 2.733 20 5 EFBDMM O=[N+]([O-])c1cc(NCCCOC2CCCC2)ccc1-c1nn[n-]n1 ZINC001593474499 1094317766 /nfs/dbraw/zinc/31/77/66/1094317766.db2.gz QPOZMAHLHVTGJI-UHFFFAOYSA-N -1 1 332.364 2.536 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCc2ccc3[nH]ccc3c2)cc1-c1nnn[n-]1 ZINC001593479102 1094323046 /nfs/dbraw/zinc/32/30/46/1094323046.db2.gz TZJQZILTMFAPFD-UHFFFAOYSA-N -1 1 349.354 2.911 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCc2ccc3[nH]ccc3c2)cc1-c1nn[n-]n1 ZINC001593479102 1094323052 /nfs/dbraw/zinc/32/30/52/1094323052.db2.gz TZJQZILTMFAPFD-UHFFFAOYSA-N -1 1 349.354 2.911 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H]2Cc2ccccc2)cc1-c1nnn[n-]1 ZINC001593478084 1094323421 /nfs/dbraw/zinc/32/34/21/1094323421.db2.gz AOOMKAGEJZYTKO-SWLSCSKDSA-N -1 1 336.355 2.818 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H]2Cc2ccccc2)cc1-c1nn[n-]n1 ZINC001593478084 1094323427 /nfs/dbraw/zinc/32/34/27/1094323427.db2.gz AOOMKAGEJZYTKO-SWLSCSKDSA-N -1 1 336.355 2.818 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCCOC2CCCC2)cc1-c1nnn[n-]1 ZINC001593478504 1094323666 /nfs/dbraw/zinc/32/36/66/1094323666.db2.gz UONOTQIIOSVSKV-UHFFFAOYSA-N -1 1 332.364 2.536 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCCOC2CCCC2)cc1-c1nn[n-]n1 ZINC001593478504 1094323673 /nfs/dbraw/zinc/32/36/73/1094323673.db2.gz UONOTQIIOSVSKV-UHFFFAOYSA-N -1 1 332.364 2.536 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1Oc1ccc([N+](=O)[O-])cc1 ZINC001593482313 1094326746 /nfs/dbraw/zinc/32/67/46/1094326746.db2.gz OSGQKYQSAGRMEH-UHFFFAOYSA-N -1 1 334.273 2.537 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1Oc1ccc([N+](=O)[O-])cc1 ZINC001593482313 1094326755 /nfs/dbraw/zinc/32/67/55/1094326755.db2.gz OSGQKYQSAGRMEH-UHFFFAOYSA-N -1 1 334.273 2.537 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC001593482769 1094326856 /nfs/dbraw/zinc/32/68/56/1094326856.db2.gz WIUXQNDEFMRBBC-GXTWGEPZSA-N -1 1 340.318 2.882 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC001593482769 1094326867 /nfs/dbraw/zinc/32/68/67/1094326867.db2.gz WIUXQNDEFMRBBC-GXTWGEPZSA-N -1 1 340.318 2.882 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCC1Cc2ccccc2C1 ZINC001593488979 1094328617 /nfs/dbraw/zinc/32/86/17/1094328617.db2.gz QPBZYRJATVXZAW-UHFFFAOYSA-N -1 1 342.384 2.663 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCC1Cc2ccccc2C1 ZINC001593488979 1094328625 /nfs/dbraw/zinc/32/86/25/1094328625.db2.gz QPBZYRJATVXZAW-UHFFFAOYSA-N -1 1 342.384 2.663 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC[C@H]2CCCC[C@@H]2C1 ZINC001593487225 1094328764 /nfs/dbraw/zinc/32/87/64/1094328764.db2.gz FZQCUGKONIHUES-NXEZZACHSA-N -1 1 334.405 2.853 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC[C@H]2CCCC[C@@H]2C1 ZINC001593487225 1094328773 /nfs/dbraw/zinc/32/87/73/1094328773.db2.gz FZQCUGKONIHUES-NXEZZACHSA-N -1 1 334.405 2.853 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@@H]1C[C@H]1c1ccsc1 ZINC001593488986 1094328887 /nfs/dbraw/zinc/32/88/87/1094328887.db2.gz QWKUUHRRMVHZPV-JGVFFNPUSA-N -1 1 334.386 2.866 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@@H]1C[C@H]1c1ccsc1 ZINC001593488986 1094328894 /nfs/dbraw/zinc/32/88/94/1094328894.db2.gz QWKUUHRRMVHZPV-JGVFFNPUSA-N -1 1 334.386 2.866 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCC(C2CCC2)CC1 ZINC001593487564 1094329101 /nfs/dbraw/zinc/32/91/01/1094329101.db2.gz IDQGLLPUIPISBB-UHFFFAOYSA-N -1 1 334.405 2.853 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCC(C2CCC2)CC1 ZINC001593487564 1094329110 /nfs/dbraw/zinc/32/91/10/1094329110.db2.gz IDQGLLPUIPISBB-UHFFFAOYSA-N -1 1 334.405 2.853 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC[C@@H]1c1cccc(F)c1 ZINC001593488345 1094330611 /nfs/dbraw/zinc/33/06/11/1094330611.db2.gz VLXQENCKTJRSNW-SNVBAGLBSA-N -1 1 346.347 2.927 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC[C@@H]1c1cccc(F)c1 ZINC001593488345 1094330620 /nfs/dbraw/zinc/33/06/20/1094330620.db2.gz VLXQENCKTJRSNW-SNVBAGLBSA-N -1 1 346.347 2.927 20 5 EFBDMM Cc1c(CN2CCC(c3cc(C(=O)[O-])on3)CC2)cccc1[N+](=O)[O-] ZINC001600010386 1094718917 /nfs/dbraw/zinc/71/89/17/1094718917.db2.gz GRENYYJRERUVJE-UHFFFAOYSA-N -1 1 345.355 2.969 20 5 EFBDMM Cc1cc(N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600240211 1094910907 /nfs/dbraw/zinc/91/09/07/1094910907.db2.gz HWZWDUBQCFWEPP-OAHLLOKOSA-N -1 1 335.404 2.768 20 5 EFBDMM Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC001600304165 1094955940 /nfs/dbraw/zinc/95/59/40/1094955940.db2.gz IZRJCBCHGDRFHV-UHFFFAOYSA-N -1 1 341.795 2.542 20 5 EFBDMM Cc1ccc(CN(C)Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001600410426 1095043323 /nfs/dbraw/zinc/04/33/23/1095043323.db2.gz MXJASMWSMMCSDH-UHFFFAOYSA-N -1 1 344.367 2.999 20 5 EFBDMM Cc1n[nH]c(C(C)C)c1C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001600666766 1095249218 /nfs/dbraw/zinc/24/92/18/1095249218.db2.gz BWHCRBOINYPIHL-UHFFFAOYSA-N -1 1 347.327 2.805 20 5 EFBDMM Cc1nn(C(C)C)cc1CN[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001600767716 1095318303 /nfs/dbraw/zinc/31/83/03/1095318303.db2.gz VVSJNDPOOVWMSW-QGZVFWFLSA-N -1 1 346.387 2.770 20 5 EFBDMM Cc1nn(C(C)C)cc1CN[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001600767708 1095318753 /nfs/dbraw/zinc/31/87/53/1095318753.db2.gz VVSJNDPOOVWMSW-KRWDZBQOSA-N -1 1 346.387 2.770 20 5 EFBDMM O=C([O-])[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1ccc2c(c1)CCO2 ZINC001601674335 1095805622 /nfs/dbraw/zinc/80/56/22/1095805622.db2.gz FTHORZOZNOJVRL-MRXNPFEDSA-N -1 1 346.314 2.584 20 5 EFBDMM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001601757748 1095891088 /nfs/dbraw/zinc/89/10/88/1095891088.db2.gz ZHWPTZHOMKOGIN-BXGCZWRVSA-N -1 1 326.299 2.558 20 5 EFBDMM O=C([O-])C[C@]1(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCOC1 ZINC001601936460 1095983053 /nfs/dbraw/zinc/98/30/53/1095983053.db2.gz SMKMXZHHYLJNNV-CYBMUJFWSA-N -1 1 349.170 2.625 20 5 EFBDMM CC(C)(C)[C@@H]1C[C@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001603062754 1096427981 /nfs/dbraw/zinc/42/79/81/1096427981.db2.gz QXKACOBOGHVCHK-MFKMUULPSA-N -1 1 346.391 2.781 20 5 EFBDMM CC(C)(C)[C@@H]1C[C@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001603062754 1096427987 /nfs/dbraw/zinc/42/79/87/1096427987.db2.gz QXKACOBOGHVCHK-MFKMUULPSA-N -1 1 346.391 2.781 20 5 EFBDMM CC(C)C1(C)CCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001603238346 1096481364 /nfs/dbraw/zinc/48/13/64/1096481364.db2.gz MYKWADZIMVCZLI-UHFFFAOYSA-N -1 1 345.407 2.620 20 5 EFBDMM CC(C)C1(C)CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001603238346 1096481369 /nfs/dbraw/zinc/48/13/69/1096481369.db2.gz MYKWADZIMVCZLI-UHFFFAOYSA-N -1 1 345.407 2.620 20 5 EFBDMM CC(C)(/C=C/Cl)NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001603576012 1096558056 /nfs/dbraw/zinc/55/80/56/1096558056.db2.gz VDEXDAMHJAAKIP-AATRIKPKSA-N -1 1 328.752 2.679 20 5 EFBDMM C[C@H](Cc1ccsc1)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603590325 1096562826 /nfs/dbraw/zinc/56/28/26/1096562826.db2.gz YYOWOKZOBAPZCN-SECBINFHSA-N -1 1 330.373 2.880 20 5 EFBDMM CC1(C)CCC(O)(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001603772749 1096621542 /nfs/dbraw/zinc/62/15/42/1096621542.db2.gz UCQNIRTYQMCZAR-UHFFFAOYSA-N -1 1 346.391 2.518 20 5 EFBDMM CC1(C)CCC(O)(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001603772749 1096621543 /nfs/dbraw/zinc/62/15/43/1096621543.db2.gz UCQNIRTYQMCZAR-UHFFFAOYSA-N -1 1 346.391 2.518 20 5 EFBDMM CC1(C)CCC[C@H](CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001603773659 1096622742 /nfs/dbraw/zinc/62/27/42/1096622742.db2.gz GTMVBZKSYJYQRA-JTQLQIEISA-N -1 1 331.380 2.798 20 5 EFBDMM CC1(C)CCC[C@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001603773659 1096622745 /nfs/dbraw/zinc/62/27/45/1096622745.db2.gz GTMVBZKSYJYQRA-JTQLQIEISA-N -1 1 331.380 2.798 20 5 EFBDMM CC1CCC(C)(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001603874990 1096652160 /nfs/dbraw/zinc/65/21/60/1096652160.db2.gz WBXILURSQZAWPX-UHFFFAOYSA-N -1 1 331.380 2.798 20 5 EFBDMM CC1CCC(C)(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001603874990 1096652164 /nfs/dbraw/zinc/65/21/64/1096652164.db2.gz WBXILURSQZAWPX-UHFFFAOYSA-N -1 1 331.380 2.798 20 5 EFBDMM C[C@@H]1CCC[C@@H](CNc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001603887932 1096659063 /nfs/dbraw/zinc/65/90/63/1096659063.db2.gz TYZLSMPQEGIXEQ-NXEZZACHSA-N -1 1 331.380 2.595 20 5 EFBDMM C[C@@H]1CCC[C@@H](CNc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001603887932 1096659066 /nfs/dbraw/zinc/65/90/66/1096659066.db2.gz TYZLSMPQEGIXEQ-NXEZZACHSA-N -1 1 331.380 2.595 20 5 EFBDMM CC(C)[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CCN1C ZINC001603983156 1096686916 /nfs/dbraw/zinc/68/69/16/1096686916.db2.gz AZFLBFRMMMFUMQ-CYBMUJFWSA-N -1 1 341.795 2.723 20 5 EFBDMM CC[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)[C@@H]1CCCCO1 ZINC001604063767 1096716622 /nfs/dbraw/zinc/71/66/22/1096716622.db2.gz MGVDWUFELBXQNC-OCCSQVGLSA-N -1 1 332.364 2.535 20 5 EFBDMM CC[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)[C@@H]1CCCCO1 ZINC001604063767 1096716628 /nfs/dbraw/zinc/71/66/28/1096716628.db2.gz MGVDWUFELBXQNC-OCCSQVGLSA-N -1 1 332.364 2.535 20 5 EFBDMM CC[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)[C@H]1CCCCO1 ZINC001604063768 1096717094 /nfs/dbraw/zinc/71/70/94/1096717094.db2.gz MGVDWUFELBXQNC-TZMCWYRMSA-N -1 1 332.364 2.535 20 5 EFBDMM CC[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)[C@H]1CCCCO1 ZINC001604063768 1096717097 /nfs/dbraw/zinc/71/70/97/1096717097.db2.gz MGVDWUFELBXQNC-TZMCWYRMSA-N -1 1 332.364 2.535 20 5 EFBDMM CCCN(C[C@H]1CCCCO1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001604204854 1096772386 /nfs/dbraw/zinc/77/23/86/1096772386.db2.gz HYLVIKWYAARAOG-CYBMUJFWSA-N -1 1 346.391 2.560 20 5 EFBDMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001604652971 1096923909 /nfs/dbraw/zinc/92/39/09/1096923909.db2.gz STXVSTYBDVBGSD-UWVGGRQHSA-N -1 1 337.332 2.577 20 5 EFBDMM CN(CCc1cccs1)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001604792195 1096957357 /nfs/dbraw/zinc/95/73/57/1096957357.db2.gz QQRVFIACAYJGMJ-UHFFFAOYSA-N -1 1 336.402 2.577 20 5 EFBDMM CN(CCc1cccs1)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001604792195 1096957365 /nfs/dbraw/zinc/95/73/65/1096957365.db2.gz QQRVFIACAYJGMJ-UHFFFAOYSA-N -1 1 336.402 2.577 20 5 EFBDMM COc1ccc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cc1F ZINC001605285815 1097082028 /nfs/dbraw/zinc/08/20/28/1097082028.db2.gz QMXKDSZPWFPBBB-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM COc1ccc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cc1F ZINC001605285815 1097082033 /nfs/dbraw/zinc/08/20/33/1097082033.db2.gz QMXKDSZPWFPBBB-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM Cc1cc(N2CCS[C@@H](C(C)C)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605698198 1097198136 /nfs/dbraw/zinc/19/81/36/1097198136.db2.gz MYZYRQLPOKCCNE-CYBMUJFWSA-N -1 1 348.432 2.661 20 5 EFBDMM Cc1cc(N2CCS[C@@H](C(C)C)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605698198 1097198138 /nfs/dbraw/zinc/19/81/38/1097198138.db2.gz MYZYRQLPOKCCNE-CYBMUJFWSA-N -1 1 348.432 2.661 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001605884700 1097265380 /nfs/dbraw/zinc/26/53/80/1097265380.db2.gz WTKHDMQPWLAGOM-SECBINFHSA-N -1 1 343.299 2.594 20 5 EFBDMM Cc1cnc([C@@H](C)Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)s1 ZINC001605977747 1097290838 /nfs/dbraw/zinc/29/08/38/1097290838.db2.gz JUQHKUHWGQXJRM-MRVPVSSYSA-N -1 1 331.361 2.713 20 5 EFBDMM Cc1cnc([C@@H](C)Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)s1 ZINC001605977747 1097290842 /nfs/dbraw/zinc/29/08/42/1097290842.db2.gz JUQHKUHWGQXJRM-MRVPVSSYSA-N -1 1 331.361 2.713 20 5 EFBDMM O=[N+]([O-])c1c(NC2C[C@H]3CC[C@@H](C2)S3)cccc1-c1nnn[n-]1 ZINC001607077913 1097506370 /nfs/dbraw/zinc/50/63/70/1097506370.db2.gz HFYAQUXMZCDFAQ-PBINXNQUSA-N -1 1 332.389 2.613 20 5 EFBDMM O=[N+]([O-])c1c(NC2C[C@H]3CC[C@@H](C2)S3)cccc1-c1nn[n-]n1 ZINC001607077913 1097506374 /nfs/dbraw/zinc/50/63/74/1097506374.db2.gz HFYAQUXMZCDFAQ-PBINXNQUSA-N -1 1 332.389 2.613 20 5 EFBDMM O=[N+]([O-])c1c(NC[C@H]2CCOC3(CCC3)C2)cccc1-c1nnn[n-]1 ZINC001607078173 1097506624 /nfs/dbraw/zinc/50/66/24/1097506624.db2.gz MURHRZSKTQYPPY-NSHDSACASA-N -1 1 344.375 2.536 20 5 EFBDMM O=[N+]([O-])c1c(NC[C@H]2CCOC3(CCC3)C2)cccc1-c1nn[n-]n1 ZINC001607078173 1097506629 /nfs/dbraw/zinc/50/66/29/1097506629.db2.gz MURHRZSKTQYPPY-NSHDSACASA-N -1 1 344.375 2.536 20 5 EFBDMM O=[N+]([O-])c1cc(N(CC2CC2)CC2CCC2)ccc1-c1nn[n-]n1 ZINC001607079033 1097506949 /nfs/dbraw/zinc/50/69/49/1097506949.db2.gz VGUXYADZSQVDSL-UHFFFAOYSA-N -1 1 328.376 2.791 20 5 EFBDMM O=[N+]([O-])c1c(NC[C@H]2CCC3(CCCC3)O2)cccc1-c1nnn[n-]1 ZINC001607078251 1097506976 /nfs/dbraw/zinc/50/69/76/1097506976.db2.gz QJDMZPARWSPUMH-LLVKDONJSA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1c(NC[C@H]2CCC3(CCCC3)O2)cccc1-c1nn[n-]n1 ZINC001607078251 1097506979 /nfs/dbraw/zinc/50/69/79/1097506979.db2.gz QJDMZPARWSPUMH-LLVKDONJSA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H](C2CCC2)[C@H]2CCCO2)cc1-c1nnn[n-]1 ZINC001607082659 1097508268 /nfs/dbraw/zinc/50/82/68/1097508268.db2.gz RAQHYZQUQWYPMC-CABCVRRESA-N -1 1 344.375 2.535 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H](C2CCC2)[C@H]2CCCO2)cc1-c1nn[n-]n1 ZINC001607082659 1097508272 /nfs/dbraw/zinc/50/82/72/1097508272.db2.gz RAQHYZQUQWYPMC-CABCVRRESA-N -1 1 344.375 2.535 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCCc1ccc(F)cc1 ZINC001607088210 1097511506 /nfs/dbraw/zinc/51/15/06/1097511506.db2.gz HRJASRRFMIYLQP-UHFFFAOYSA-N -1 1 334.336 2.630 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCCc1ccc(F)cc1 ZINC001607088210 1097511509 /nfs/dbraw/zinc/51/15/09/1097511509.db2.gz HRJASRRFMIYLQP-UHFFFAOYSA-N -1 1 334.336 2.630 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCc1ncc(Cl)s1 ZINC001607088460 1097511674 /nfs/dbraw/zinc/51/16/74/1097511674.db2.gz OTBQVEVTXWPGBV-UHFFFAOYSA-N -1 1 343.781 2.558 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCc1ncc(Cl)s1 ZINC001607088460 1097511681 /nfs/dbraw/zinc/51/16/81/1097511681.db2.gz OTBQVEVTXWPGBV-UHFFFAOYSA-N -1 1 343.781 2.558 20 5 EFBDMM COc1cc([N+](=O)[O-])ccc1CN[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001607192021 1097556381 /nfs/dbraw/zinc/55/63/81/1097556381.db2.gz VDCIKSRJJAVIAI-INIZCTEOSA-N -1 1 348.330 2.966 20 5 EFBDMM COc1ccc([C@@H](NCc2ccc([N+](=O)[O-])c(F)c2)C(=O)[O-])cc1 ZINC001607235260 1097569852 /nfs/dbraw/zinc/56/98/52/1097569852.db2.gz UDQIHFNMMKYPEW-OAHLLOKOSA-N -1 1 334.303 2.658 20 5 EFBDMM COc1ccc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001607259546 1097576856 /nfs/dbraw/zinc/57/68/56/1097576856.db2.gz WCWDWQWBBOMTNG-KRWDZBQOSA-N -1 1 348.330 2.832 20 5 EFBDMM COc1ccc(F)cc1CN[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001607266289 1097579936 /nfs/dbraw/zinc/57/99/36/1097579936.db2.gz IJAMJEDRULMDEV-KRWDZBQOSA-N -1 1 348.330 2.832 20 5 EFBDMM O=C([O-])c1cccc2c1CN(Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC001608942191 1098084047 /nfs/dbraw/zinc/08/40/47/1098084047.db2.gz NTFGWOXFPQCEHC-UHFFFAOYSA-N -1 1 328.324 2.557 20 5 EFBDMM C[C@@]1(c2ccccc2)C[C@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609151551 1098171610 /nfs/dbraw/zinc/17/16/10/1098171610.db2.gz LOUWZVJSBWITJG-WBVHZDCISA-N -1 1 336.355 2.917 20 5 EFBDMM C[C@@H]1CCC[C@@H](CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])[C@@H]1C ZINC001609162853 1098175986 /nfs/dbraw/zinc/17/59/86/1098175986.db2.gz LNOAMCTWVQWOHT-MXWKQRLJSA-N -1 1 331.380 2.654 20 5 EFBDMM C[C@@H]1CCC[C@@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])[C@@H]1C ZINC001609162853 1098175990 /nfs/dbraw/zinc/17/59/90/1098175990.db2.gz LNOAMCTWVQWOHT-MXWKQRLJSA-N -1 1 331.380 2.654 20 5 EFBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)[C@@H]2CCCC[C@H]21 ZINC001609175548 1098183146 /nfs/dbraw/zinc/18/31/46/1098183146.db2.gz TUMWRRPJDKWANH-SCDSUCTJSA-N -1 1 328.376 2.790 20 5 EFBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)[C@@H]2CCCC[C@H]21 ZINC001609175548 1098183151 /nfs/dbraw/zinc/18/31/51/1098183151.db2.gz TUMWRRPJDKWANH-SCDSUCTJSA-N -1 1 328.376 2.790 20 5 EFBDMM CC[C@@H](C)n1nc(Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1C ZINC001609187364 1098188365 /nfs/dbraw/zinc/18/83/65/1098188365.db2.gz BQCRHOAWLKSUSL-SECBINFHSA-N -1 1 342.363 2.994 20 5 EFBDMM CN(Cc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609279218 1098236323 /nfs/dbraw/zinc/23/63/23/1098236323.db2.gz XAXLHLQEBBTNCA-UHFFFAOYSA-N -1 1 346.297 2.690 20 5 EFBDMM Cc1nc(C)c(-c2nn[n-]n2)c(S/C=C/c2ccc([N+](=O)[O-])o2)n1 ZINC001609449178 1098328015 /nfs/dbraw/zinc/32/80/15/1098328015.db2.gz QHIAOYGLYZFLGF-AATRIKPKSA-N -1 1 345.344 2.538 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H](C1CCC1)C1CCCC1 ZINC001609599530 1098394026 /nfs/dbraw/zinc/39/40/26/1098394026.db2.gz IRFYSXOWYLCUSR-ZDUSSCGKSA-N -1 1 343.391 2.941 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H](C1CCC1)C1CCCC1 ZINC001609599530 1098394031 /nfs/dbraw/zinc/39/40/31/1098394031.db2.gz IRFYSXOWYLCUSR-ZDUSSCGKSA-N -1 1 343.391 2.941 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CC[C@@H](CC(F)(F)F)C2)cc1-c1nnn[n-]1 ZINC001609601630 1098395651 /nfs/dbraw/zinc/39/56/51/1098395651.db2.gz RFDYOAIGSAJSDG-QMMMGPOBSA-N -1 1 342.281 2.554 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CC[C@@H](CC(F)(F)F)C2)cc1-c1nn[n-]n1 ZINC001609601630 1098395655 /nfs/dbraw/zinc/39/56/55/1098395655.db2.gz RFDYOAIGSAJSDG-QMMMGPOBSA-N -1 1 342.281 2.554 20 5 EFBDMM Cc1cc(C2CCN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)n[nH]1 ZINC001610458050 1098690168 /nfs/dbraw/zinc/69/01/68/1098690168.db2.gz SACWWYGMDFSSTO-UHFFFAOYSA-N -1 1 344.371 2.704 20 5 EFBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001610478670 1098699886 /nfs/dbraw/zinc/69/98/86/1098699886.db2.gz UDPLUSVGLZJCEQ-UHFFFAOYSA-N -1 1 340.295 2.730 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c1 ZINC001610515134 1098724665 /nfs/dbraw/zinc/72/46/65/1098724665.db2.gz QUCMBDROQIWXOR-UHFFFAOYSA-N -1 1 340.295 2.730 20 5 EFBDMM O=C([O-])[C@@H](NCc1csc([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC001610718567 1098846550 /nfs/dbraw/zinc/84/65/50/1098846550.db2.gz BBUOGSUYEMKWSF-AWEZNQCLSA-N -1 1 334.353 2.507 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1[N-]c1nnc(Br)s1 ZINC001210443358 1102579345 /nfs/dbraw/zinc/57/93/45/1102579345.db2.gz CUMDGYJEUUJXMA-UHFFFAOYSA-N -1 1 331.151 2.961 20 5 EFBDMM COc1ccccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000192726987 1108058397 /nfs/dbraw/zinc/05/83/97/1108058397.db2.gz IBWNDHBGLBRREN-UHFFFAOYSA-N -1 1 326.305 2.543 20 5 EFBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)cc([N+](=O)[O-])c1F ZINC000154228804 1111998795 /nfs/dbraw/zinc/99/87/95/1111998795.db2.gz XGLZYHNZKCSJKM-UHFFFAOYSA-N -1 1 328.296 2.982 20 5 EFBDMM CC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000186785015 529576643 /nfs/dbraw/zinc/57/66/43/529576643.db2.gz DKNVOORJHFOZOI-ZDUSSCGKSA-N -1 1 331.328 2.585 20 5 EFBDMM C[C@H](OCCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000186862100 236045531 /nfs/dbraw/zinc/04/55/31/236045531.db2.gz WHFWAXUESQRMOA-LBPRGKRZSA-N -1 1 345.355 2.593 20 5 EFBDMM CCOc1cccc([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000187039268 236102712 /nfs/dbraw/zinc/10/27/12/236102712.db2.gz PQDUWQXKVXLJDO-SNVBAGLBSA-N -1 1 331.328 2.585 20 5 EFBDMM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000191566807 239189929 /nfs/dbraw/zinc/18/99/29/239189929.db2.gz LMAGBEQKAJJDSP-UHFFFAOYSA-N -1 1 348.380 2.947 20 5 EFBDMM CC(C)COc1ccccc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193447206 240108856 /nfs/dbraw/zinc/10/88/56/240108856.db2.gz MGEPHVNJMDMMCV-UHFFFAOYSA-N -1 1 345.355 2.660 20 5 EFBDMM CC[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Oc1cccc(C)c1 ZINC000193676374 240122147 /nfs/dbraw/zinc/12/21/47/240122147.db2.gz IIXWSYAJLVERBJ-CYBMUJFWSA-N -1 1 345.355 2.591 20 5 EFBDMM O=C(N[C@@H]1CCCc2c(F)cc(F)cc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000452188581 284036320 /nfs/dbraw/zinc/03/63/20/284036320.db2.gz IBHWNUNNBRMEAF-CYBMUJFWSA-N -1 1 349.293 2.781 20 5 EFBDMM CN(CCc1ccc([N+](=O)[O-])cc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000131579456 205293990 /nfs/dbraw/zinc/29/39/90/205293990.db2.gz ITEUECKZRGCGOK-UHFFFAOYSA-N -1 1 344.396 2.567 20 5 EFBDMM C[C@H](c1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1)N1CCOCC1 ZINC000264272399 246272788 /nfs/dbraw/zinc/27/27/88/246272788.db2.gz SAJGWVDVTATDBU-GFCCVEGCSA-N -1 1 344.371 2.568 20 5 EFBDMM COc1ccc([C@H](NCc2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1F ZINC000426805121 247300881 /nfs/dbraw/zinc/30/08/81/247300881.db2.gz ZBFOOVKXJXFTRY-HNNXBMFYSA-N -1 1 334.303 2.658 20 5 EFBDMM COc1cccc([C@H](CC(=O)[O-])NCc2cccc([N+](=O)[O-])c2)c1 ZINC000426787877 247299677 /nfs/dbraw/zinc/29/96/77/247299677.db2.gz IKDQPKVSNQTBBB-INIZCTEOSA-N -1 1 330.340 2.909 20 5 EFBDMM Cc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cnn1-c1ccccc1F ZINC000435338976 248227291 /nfs/dbraw/zinc/22/72/91/248227291.db2.gz MHRXXVXPUPLCOY-UHFFFAOYSA-N -1 1 329.291 2.808 20 5 EFBDMM CCOCc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000442331339 250077373 /nfs/dbraw/zinc/07/73/73/250077373.db2.gz GENOHIRWHIYDMD-UHFFFAOYSA-N -1 1 336.369 2.932 20 5 EFBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)c1 ZINC000442321703 250077705 /nfs/dbraw/zinc/07/77/05/250077705.db2.gz KUBAISWFCUGVPH-UHFFFAOYSA-N -1 1 344.352 2.786 20 5 EFBDMM Cc1ccccc1[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000445011485 250374398 /nfs/dbraw/zinc/37/43/98/250374398.db2.gz PXSOEEZOCVZBQR-HNNXBMFYSA-N -1 1 327.340 2.885 20 5 EFBDMM O=C([O-])c1cccc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000263494973 141399171 /nfs/dbraw/zinc/39/91/71/141399171.db2.gz SLXBFJJBIARYLS-UHFFFAOYSA-N -1 1 341.367 2.615 20 5 EFBDMM CCN(CC[NH+]1CCCCCC1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000346341652 142192290 /nfs/dbraw/zinc/19/22/90/142192290.db2.gz RDLVWCZGBJBOCJ-UHFFFAOYSA-N -1 1 335.404 2.639 20 5 EFBDMM COC(=O)c1c[n-]c(SCc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000349820573 142364097 /nfs/dbraw/zinc/36/40/97/142364097.db2.gz WNIUFVQAVANRPO-UHFFFAOYSA-N -1 1 329.284 2.675 20 5 EFBDMM O=C(N[C@H]1CCC[C@H]1c1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000349055229 146044053 /nfs/dbraw/zinc/04/40/53/146044053.db2.gz ILLPZDJAVHPWLD-ZFWWWQNUSA-N -1 1 327.340 2.762 20 5 EFBDMM C[C@@H](OCCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1 ZINC000349293409 146076052 /nfs/dbraw/zinc/07/60/52/146076052.db2.gz ZGPFYTCJFAFWEF-GFCCVEGCSA-N -1 1 345.355 2.593 20 5 EFBDMM O=C(N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000352994494 146369741 /nfs/dbraw/zinc/36/97/41/146369741.db2.gz WVGLLMGITUURGI-WCQYABFASA-N -1 1 345.330 2.901 20 5 EFBDMM O=C1CCCN1c1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000355640416 147020699 /nfs/dbraw/zinc/02/06/99/147020699.db2.gz SZKHTINYGBNWRF-UHFFFAOYSA-N -1 1 339.311 2.767 20 5 EFBDMM Cc1cc(Cl)cnc1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000359468742 148093730 /nfs/dbraw/zinc/09/37/30/148093730.db2.gz FQBXJTUIFWESGD-UHFFFAOYSA-N -1 1 341.776 2.894 20 5 EFBDMM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)cc1[N+](=O)[O-] ZINC000359858688 148209157 /nfs/dbraw/zinc/20/91/57/148209157.db2.gz RANPXAYPCHVCSF-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM COc1ccc(NC(=O)c2cc(-c3ccco3)n[nH]2)cc1[N+](=O)[O-] ZINC000359972049 148239619 /nfs/dbraw/zinc/23/96/19/148239619.db2.gz WKRFRFUKDMGBKP-UHFFFAOYSA-N -1 1 328.284 2.839 20 5 EFBDMM O=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000360459969 148366891 /nfs/dbraw/zinc/36/68/91/148366891.db2.gz JUQFWEWRRDMLLY-LDYMZIIASA-N -1 1 347.293 2.794 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000365194305 149340464 /nfs/dbraw/zinc/34/04/64/149340464.db2.gz BZLCMMGBSMBIEX-CQSZACIVSA-N -1 1 345.330 2.682 20 5 EFBDMM C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263022838 287152584 /nfs/dbraw/zinc/15/25/84/287152584.db2.gz RAANPSYLZSYBMQ-JMJZKYOTSA-N -1 1 332.278 2.851 20 5 EFBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCO2 ZINC000032591221 272966364 /nfs/dbraw/zinc/96/63/64/272966364.db2.gz VMLPSARWCSGGIP-UHFFFAOYSA-N -1 1 334.353 2.639 20 5 EFBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(O)c1 ZINC000174257252 273027541 /nfs/dbraw/zinc/02/75/41/273027541.db2.gz KAPYUTYCBWHZBE-UHFFFAOYSA-N -1 1 336.369 2.972 20 5 EFBDMM O=C(N[C@H]1CCCc2ccc(F)cc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000279795869 273254478 /nfs/dbraw/zinc/25/44/78/273254478.db2.gz LFSUYPWJNHOCQS-ZDUSSCGKSA-N -1 1 331.303 2.642 20 5 EFBDMM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000129332959 288576998 /nfs/dbraw/zinc/57/69/98/288576998.db2.gz JKZTTZACHHKNQV-ZYHUDNBSSA-N -1 1 345.330 2.853 20 5 EFBDMM CCCc1cc(=O)[n-]c(SCCOc2cccc([N+](=O)[O-])c2)n1 ZINC000059123211 292670255 /nfs/dbraw/zinc/67/02/55/292670255.db2.gz ZXYHHONHFZJMER-UHFFFAOYSA-N -1 1 335.385 2.802 20 5 EFBDMM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN(CC2CCCCC2)CC1 ZINC000130453781 293165900 /nfs/dbraw/zinc/16/59/00/293165900.db2.gz BOPOARBIQWGYKE-UHFFFAOYSA-N -1 1 347.415 2.639 20 5 EFBDMM Cc1ccc(NCCCNC(=O)c2ccc([O-])cc2F)c([N+](=O)[O-])c1 ZINC000154917021 293446129 /nfs/dbraw/zinc/44/61/29/293446129.db2.gz IXDKCNYIIOASGL-UHFFFAOYSA-N -1 1 347.346 2.980 20 5 EFBDMM CC(=O)N(c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1)C1CC1 ZINC000294422598 295164298 /nfs/dbraw/zinc/16/42/98/295164298.db2.gz USJFYRZSSYLMQN-UHFFFAOYSA-N -1 1 328.328 2.691 20 5 EFBDMM CCc1ccc([C@@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cc1 ZINC000294483757 295174570 /nfs/dbraw/zinc/17/45/70/295174570.db2.gz JGYGGJDTFWNMFV-CQSZACIVSA-N -1 1 341.367 2.888 20 5 EFBDMM CCc1ccc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)cc1 ZINC000295335158 295302396 /nfs/dbraw/zinc/30/23/96/295302396.db2.gz MZWUFEHYRAUVDS-CQSZACIVSA-N -1 1 341.367 2.888 20 5 EFBDMM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000263094312 297343761 /nfs/dbraw/zinc/34/37/61/297343761.db2.gz UYIDRYMNXBNRHA-KOLCDFICSA-N -1 1 344.314 2.739 20 5 EFBDMM CC1(C)Cc2nc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)sc2C(=O)C1 ZINC000299120339 311053438 /nfs/dbraw/zinc/05/34/38/311053438.db2.gz IMKLQNUYJQAIRH-UHFFFAOYSA-N -1 1 334.357 2.787 20 5 EFBDMM Cc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cccc1C(=O)N1CCCC1 ZINC000299672955 311109572 /nfs/dbraw/zinc/10/95/72/311109572.db2.gz JLAFICRXPIUERL-UHFFFAOYSA-N -1 1 342.355 2.720 20 5 EFBDMM CCc1ccc(NC(=O)Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000350694383 311818987 /nfs/dbraw/zinc/81/89/87/311818987.db2.gz MZFOHMDKRUKFJQ-UHFFFAOYSA-N -1 1 341.327 2.717 20 5 EFBDMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000415652753 312162892 /nfs/dbraw/zinc/16/28/92/312162892.db2.gz VOINDVWOVHXBOY-UHFFFAOYSA-N -1 1 346.343 2.870 20 5 EFBDMM O=C(C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc([O-])cc1 ZINC000436972107 312604397 /nfs/dbraw/zinc/60/43/97/312604397.db2.gz MRTGUEDCYWZPCY-UHFFFAOYSA-N -1 1 340.335 2.674 20 5 EFBDMM COc1ccc([O-])c(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)c1 ZINC000436999247 312608446 /nfs/dbraw/zinc/60/84/46/312608446.db2.gz QJZUEPJJORPFTA-UHFFFAOYSA-N -1 1 327.296 2.950 20 5 EFBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(F)F ZINC000451068352 312810566 /nfs/dbraw/zinc/81/05/66/312810566.db2.gz BOJRZADIXWVNNA-ZCFIWIBFSA-N -1 1 328.724 2.570 20 5 EFBDMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(OC)c([N+](=O)[O-])c1 ZINC000488228384 313469398 /nfs/dbraw/zinc/46/93/98/313469398.db2.gz YJHKUMLPISMMQU-UHFFFAOYSA-N -1 1 336.369 2.967 20 5 EFBDMM CC(C)CC(CC(C)C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525174781 316193570 /nfs/dbraw/zinc/19/35/70/316193570.db2.gz NEBSBVJFCNOECD-UHFFFAOYSA-N -1 1 329.422 2.729 20 5 EFBDMM CCCC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525689556 316226625 /nfs/dbraw/zinc/22/66/25/316226625.db2.gz JMOBAFOHWHDYSB-RYUDHWBXSA-N -1 1 327.406 2.627 20 5 EFBDMM CC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000525688617 316226874 /nfs/dbraw/zinc/22/68/74/316226874.db2.gz IPGPWLJXMILQPO-ZDUSSCGKSA-N -1 1 335.385 2.728 20 5 EFBDMM CCCC[C@@H](CCC)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000531483590 317273419 /nfs/dbraw/zinc/27/34/19/317273419.db2.gz AVVWQGACZJIZTH-GFCCVEGCSA-N -1 1 329.422 2.875 20 5 EFBDMM O=C([N-]c1n[nH]c(-c2cccc3ccccc32)n1)c1c[nH]nc1[N+](=O)[O-] ZINC000548944288 318158474 /nfs/dbraw/zinc/15/84/74/318158474.db2.gz OPROPLYHYGYFDO-UHFFFAOYSA-N -1 1 349.310 2.509 20 5 EFBDMM O=C(NCc1cccc(Cl)c1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000555982282 318375688 /nfs/dbraw/zinc/37/56/88/318375688.db2.gz MOJICRCNQPFNSJ-UHFFFAOYSA-N -1 1 342.138 2.932 20 5 EFBDMM C[C@@H]1c2c(F)cccc2CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000565578277 318983184 /nfs/dbraw/zinc/98/31/84/318983184.db2.gz QNPVTPJRCWTQCA-SECBINFHSA-N -1 1 331.303 2.594 20 5 EFBDMM O=C([O-])c1cc(NCCN2CCc3sccc3C2)ccc1[N+](=O)[O-] ZINC000566295205 319059312 /nfs/dbraw/zinc/05/93/12/319059312.db2.gz PUXLWKGWVUGLER-UHFFFAOYSA-N -1 1 347.396 2.825 20 5 EFBDMM O=C([O-])c1ccnc(NC[C@@H](c2ccco2)N2CCCC2)c1[N+](=O)[O-] ZINC000567980741 319233303 /nfs/dbraw/zinc/23/33/03/319233303.db2.gz KXNGRUACBSPPGI-LBPRGKRZSA-N -1 1 346.343 2.530 20 5 EFBDMM CCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000576515404 320022934 /nfs/dbraw/zinc/02/29/34/320022934.db2.gz FBUOOFNUTSOPMD-AWEZNQCLSA-N -1 1 349.412 2.680 20 5 EFBDMM O=C([O-])c1ccoc1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000576590711 320030656 /nfs/dbraw/zinc/03/06/56/320030656.db2.gz BDMFNIXXJCDNJA-UHFFFAOYSA-N -1 1 346.339 2.929 20 5 EFBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)c1[N+](=O)[O-] ZINC000191777052 533709511 /nfs/dbraw/zinc/70/95/11/533709511.db2.gz YODJRPOYJHONJK-UHFFFAOYSA-N -1 1 338.389 2.859 20 5 EFBDMM COc1cc(S(=O)(=O)[N-]c2cccc(F)c2F)ccc1[N+](=O)[O-] ZINC000124747611 473297306 /nfs/dbraw/zinc/29/73/06/473297306.db2.gz YYMDUFQMVDNTLS-UHFFFAOYSA-N -1 1 344.295 2.682 20 5 EFBDMM O=C(Nc1nnc(/C=C/c2ccco2)s1)c1ccc([N+](=O)[O-])[n-]1 ZINC000611218007 469196415 /nfs/dbraw/zinc/19/64/15/469196415.db2.gz DSXYQYBBYZMCLT-ZZXKWVIFSA-N -1 1 331.313 2.790 20 5 EFBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c1 ZINC000014236582 471864695 /nfs/dbraw/zinc/86/46/95/471864695.db2.gz ZYBIQGGACRIKGN-UHFFFAOYSA-N -1 1 344.295 2.997 20 5 EFBDMM CC(C)n1c(CNC(=O)C=Cc2ccc([N+](=O)[O-])cc2)n[n-]c1=S ZINC000067072015 471988653 /nfs/dbraw/zinc/98/86/53/471988653.db2.gz WBDIQWHBPCADHR-VMPITWQZSA-N -1 1 347.400 2.759 20 5 EFBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC000029938384 472306420 /nfs/dbraw/zinc/30/64/20/472306420.db2.gz JKLPQBVUYPLOTN-SECBINFHSA-N -1 1 341.776 2.683 20 5 EFBDMM Cc1c(C(=O)NCc2n[n-]c(=S)n2C(C)C)cccc1[N+](=O)[O-] ZINC000066639193 473131472 /nfs/dbraw/zinc/13/14/72/473131472.db2.gz PINNTPXQCHCBIO-UHFFFAOYSA-N -1 1 335.389 2.668 20 5 EFBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000165163802 473507951 /nfs/dbraw/zinc/50/79/51/473507951.db2.gz AXKFXGYYBMYDOZ-GFCCVEGCSA-N -1 1 328.390 2.522 20 5 EFBDMM CN(Cc1cc2ccccc2o1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185787937 473513749 /nfs/dbraw/zinc/51/37/49/473513749.db2.gz XDKOXWFFJGLYML-UHFFFAOYSA-N -1 1 327.296 2.714 20 5 EFBDMM Cc1cc(C)c(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C)c1 ZINC000185882578 473537174 /nfs/dbraw/zinc/53/71/74/473537174.db2.gz GZZUUMWLTBHCLG-UHFFFAOYSA-N -1 1 329.356 2.593 20 5 EFBDMM CCCc1[nH]nc(C(=O)[N-]c2ccc(O)cc2SC)c1[N+](=O)[O-] ZINC000191561703 473555728 /nfs/dbraw/zinc/55/57/28/473555728.db2.gz LFDAARGGSJXFPA-UHFFFAOYSA-N -1 1 336.373 2.950 20 5 EFBDMM CC(C)Oc1cccc(CN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000152382926 473556021 /nfs/dbraw/zinc/55/60/21/473556021.db2.gz SPYVQABZDOORPH-UHFFFAOYSA-N -1 1 345.355 2.755 20 5 EFBDMM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])CO2 ZINC000152550785 473576145 /nfs/dbraw/zinc/57/61/45/473576145.db2.gz DPIDWOYRXUTODL-ZDUSSCGKSA-N -1 1 348.380 2.624 20 5 EFBDMM Cc1c(CN2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000262732719 473717981 /nfs/dbraw/zinc/71/79/81/473717981.db2.gz BTRJNJZUDKVJPL-GHMZBOCLSA-N -1 1 332.278 2.598 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2ccccc2)CC1 ZINC000186863270 473771421 /nfs/dbraw/zinc/77/14/21/473771421.db2.gz WSKOLSUKYHBGPD-UHFFFAOYSA-N -1 1 327.340 2.715 20 5 EFBDMM COc1cc(S(=O)(=O)[N-]c2cccc(C)c2F)ccc1[N+](=O)[O-] ZINC000180020278 473779020 /nfs/dbraw/zinc/77/90/20/473779020.db2.gz ZNPFGHPLFYLXFT-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM CC(C)[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000186922172 473781858 /nfs/dbraw/zinc/78/18/58/473781858.db2.gz GVWFWGMOORJWPT-CQSZACIVSA-N -1 1 329.356 2.865 20 5 EFBDMM CC(C)[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000186922193 473781903 /nfs/dbraw/zinc/78/19/03/473781903.db2.gz GVWFWGMOORJWPT-AWEZNQCLSA-N -1 1 329.356 2.865 20 5 EFBDMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000187050590 473808847 /nfs/dbraw/zinc/80/88/47/473808847.db2.gz GJFCEXRKDPXIQO-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM CCN(Cc1c(F)cccc1F)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187059894 473809985 /nfs/dbraw/zinc/80/99/85/473809985.db2.gz GRBUPLZQLWVHGH-UHFFFAOYSA-N -1 1 337.282 2.636 20 5 EFBDMM Cc1ccccc1C(C)(C)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187058822 473810616 /nfs/dbraw/zinc/81/06/16/473810616.db2.gz DJDRJQQCKQQSHD-UHFFFAOYSA-N -1 1 329.356 2.711 20 5 EFBDMM O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187112538 473820001 /nfs/dbraw/zinc/82/00/01/473820001.db2.gz JSNVXXZAIZZVSG-ZFWWWQNUSA-N -1 1 341.367 2.837 20 5 EFBDMM O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187112557 473820331 /nfs/dbraw/zinc/82/03/31/473820331.db2.gz JSNVXXZAIZZVSG-HIFRSBDPSA-N -1 1 341.367 2.837 20 5 EFBDMM O=C(N[C@H]1CC[C@@H](Cc2ccccc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000189343143 474365408 /nfs/dbraw/zinc/36/54/08/474365408.db2.gz XGZVLXWZPBZFGP-ZFWWWQNUSA-N -1 1 341.367 2.837 20 5 EFBDMM O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000189343191 474366248 /nfs/dbraw/zinc/36/62/48/474366248.db2.gz XGZVLXWZPBZFGP-DZGCQCFKSA-N -1 1 341.367 2.837 20 5 EFBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCN(CCc2cccs2)CC1 ZINC000338927022 474740910 /nfs/dbraw/zinc/74/09/10/474740910.db2.gz VJVSOTNTFHKTAG-UHFFFAOYSA-N -1 1 347.440 2.722 20 5 EFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)ccc1Cl ZINC000268502672 475017726 /nfs/dbraw/zinc/01/77/26/475017726.db2.gz SSVDRDFILKJXRV-UHFFFAOYSA-N -1 1 342.764 2.650 20 5 EFBDMM CC(C)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000337595704 475166621 /nfs/dbraw/zinc/16/66/21/475166621.db2.gz FRWBRKXVNKTFFW-AWEZNQCLSA-N -1 1 333.319 2.962 20 5 EFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cc(OCC(F)F)ccn3)no2)[n-]1 ZINC000357953552 475287825 /nfs/dbraw/zinc/28/78/25/475287825.db2.gz GKQOPFANNVMGSX-UHFFFAOYSA-N -1 1 337.242 2.679 20 5 EFBDMM CSc1nc(C)c(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(=O)[n-]1 ZINC000343016400 475701636 /nfs/dbraw/zinc/70/16/36/475701636.db2.gz SCBASBXGZJSZEK-UHFFFAOYSA-N -1 1 348.384 2.692 20 5 EFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc3c2CCO3)c1 ZINC000358502426 475731234 /nfs/dbraw/zinc/73/12/34/475731234.db2.gz YKBKTIVYCIQCED-UHFFFAOYSA-N -1 1 348.380 2.947 20 5 EFBDMM Cc1ccc([C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000361919614 475867217 /nfs/dbraw/zinc/86/72/17/475867217.db2.gz SICZIXMGCXYEBG-HNNXBMFYSA-N -1 1 327.340 2.885 20 5 EFBDMM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000340503435 476069769 /nfs/dbraw/zinc/06/97/69/476069769.db2.gz YQFXRPNSVPRLCL-SECBINFHSA-N -1 1 342.323 2.913 20 5 EFBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000353680594 476182911 /nfs/dbraw/zinc/18/29/11/476182911.db2.gz UHJHGNCQBRQPEN-UHFFFAOYSA-N -1 1 329.337 2.944 20 5 EFBDMM CCCCOc1cccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000302962832 476213594 /nfs/dbraw/zinc/21/35/94/476213594.db2.gz MLXLFFBZAVBPQQ-UHFFFAOYSA-N -1 1 345.355 2.804 20 5 EFBDMM O=C(NCC1(c2cccc(Cl)c2)CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303803280 476248733 /nfs/dbraw/zinc/24/87/33/476248733.db2.gz JWDVCEQJMBQLEL-UHFFFAOYSA-N -1 1 347.758 2.810 20 5 EFBDMM O=C(NC1(Cc2cccc(Cl)c2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000456743086 476719620 /nfs/dbraw/zinc/71/96/20/476719620.db2.gz YBUXZAUGJXYWAP-UHFFFAOYSA-N -1 1 347.758 2.854 20 5 EFBDMM Cc1ccc([C@]2(C)CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)cc1 ZINC000370563602 476875036 /nfs/dbraw/zinc/87/50/36/476875036.db2.gz LCAMDXKZVGBNSC-GOSISDBHSA-N -1 1 341.367 2.808 20 5 EFBDMM Cc1ccc(C2(CNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)c(C)c1 ZINC000452304035 476910639 /nfs/dbraw/zinc/91/06/39/476910639.db2.gz CBXWCGVINODFIB-UHFFFAOYSA-N -1 1 341.367 2.774 20 5 EFBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)F ZINC000431638743 477065921 /nfs/dbraw/zinc/06/59/21/477065921.db2.gz WDFSJAVQQSRZIP-CYBMUJFWSA-N -1 1 342.323 2.880 20 5 EFBDMM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@H]1CCC(=O)[O-] ZINC000424249691 477342090 /nfs/dbraw/zinc/34/20/90/477342090.db2.gz ASRVTUOCLRTNCV-ZDUSSCGKSA-N -1 1 349.387 2.561 20 5 EFBDMM O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000437222703 477685472 /nfs/dbraw/zinc/68/54/72/477685472.db2.gz YPBXRZYPMRUOFA-NWDGAFQWSA-N -1 1 333.731 2.635 20 5 EFBDMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000438260824 477814216 /nfs/dbraw/zinc/81/42/16/477814216.db2.gz WSJHWKYPWYEALH-UHFFFAOYSA-N -1 1 344.780 2.643 20 5 EFBDMM O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000438456584 477844172 /nfs/dbraw/zinc/84/41/72/477844172.db2.gz CXTWPTDNPFRJHX-WCQYABFASA-N -1 1 333.731 2.635 20 5 EFBDMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C ZINC000421136382 477976829 /nfs/dbraw/zinc/97/68/29/477976829.db2.gz DHGVPSCAZMWBAZ-GFCCVEGCSA-N -1 1 330.406 2.706 20 5 EFBDMM O=C(Nc1nnn[n-]1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487494064 478037850 /nfs/dbraw/zinc/03/78/50/478037850.db2.gz ULSNBKFHQWIEMQ-UHFFFAOYSA-N -1 1 342.340 2.511 20 5 EFBDMM O=C(Nc1nn[n-]n1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487494064 478037858 /nfs/dbraw/zinc/03/78/58/478037858.db2.gz ULSNBKFHQWIEMQ-UHFFFAOYSA-N -1 1 342.340 2.511 20 5 EFBDMM CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000534288648 478136405 /nfs/dbraw/zinc/13/64/05/478136405.db2.gz OVDCSOUIYMXAEE-LLVKDONJSA-N -1 1 345.355 2.974 20 5 EFBDMM Cc1ccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])o1 ZINC000518657232 478182099 /nfs/dbraw/zinc/18/20/99/478182099.db2.gz JOWDDQMJORULMX-UHFFFAOYSA-N -1 1 344.776 2.671 20 5 EFBDMM CCN(CCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CCC(F)(F)F ZINC000579359355 478279700 /nfs/dbraw/zinc/27/97/00/478279700.db2.gz JXKGTQQGIKLUNK-UHFFFAOYSA-N -1 1 349.309 2.979 20 5 EFBDMM COc1cc([N+](=O)[O-])ccc1CN1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000570168476 478299302 /nfs/dbraw/zinc/29/93/02/478299302.db2.gz JRFPKGXPIBRZCL-MRXNPFEDSA-N -1 1 342.351 2.615 20 5 EFBDMM COc1cc(F)cc2sc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)nc21 ZINC000521018063 478362347 /nfs/dbraw/zinc/36/23/47/478362347.db2.gz OMVJXRHERLHVOX-UHFFFAOYSA-N -1 1 336.304 2.933 20 5 EFBDMM CCOc1cc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000563276994 478502138 /nfs/dbraw/zinc/50/21/38/478502138.db2.gz ITMWCMXPBGJTIT-CYBMUJFWSA-N -1 1 334.372 2.680 20 5 EFBDMM Cc1oc(CN(C)CCOc2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC000563284230 478507414 /nfs/dbraw/zinc/50/74/14/478507414.db2.gz UOXGJTZUYMSCOU-UHFFFAOYSA-N -1 1 334.328 2.705 20 5 EFBDMM CCc1ccc(C)nc1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000594728310 478517763 /nfs/dbraw/zinc/51/77/63/478517763.db2.gz BDFIRZPGNPOPJM-UHFFFAOYSA-N -1 1 335.385 2.803 20 5 EFBDMM CCc1ccc(C)nc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000594729254 478517895 /nfs/dbraw/zinc/51/78/95/478517895.db2.gz LBYQOBZCIUFVDI-UHFFFAOYSA-N -1 1 349.412 2.845 20 5 EFBDMM C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@H]1C(=O)[O-] ZINC000600799075 478526779 /nfs/dbraw/zinc/52/67/79/478526779.db2.gz CZPOOOUBMBNCJJ-BXKDBHETSA-N -1 1 344.314 2.739 20 5 EFBDMM CC(C)N(Cc1cccc(F)c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600839728 478539008 /nfs/dbraw/zinc/53/90/08/478539008.db2.gz MMUYNAVTXZOWAM-UHFFFAOYSA-N -1 1 333.319 2.885 20 5 EFBDMM CCc1nc(SCC(=O)c2cccc([N+](=O)[O-])c2)[n-]c(=O)c1C ZINC000571777795 478675865 /nfs/dbraw/zinc/67/58/65/478675865.db2.gz AEXSUTVJSNSTDP-UHFFFAOYSA-N -1 1 333.369 2.936 20 5 EFBDMM COc1cc(CN2CCc3ccccc3[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000569734266 479165415 /nfs/dbraw/zinc/16/54/15/479165415.db2.gz YGXUBXKMKBFOKZ-QGZVFWFLSA-N -1 1 342.351 2.787 20 5 EFBDMM Cc1cc(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000593763525 479452877 /nfs/dbraw/zinc/45/28/77/479452877.db2.gz REZNRAXVXJNOAZ-LSDHHAIUSA-N -1 1 341.367 2.998 20 5 EFBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1(C(F)F)CCCC1 ZINC000588906010 479455235 /nfs/dbraw/zinc/45/52/35/479455235.db2.gz AYMNTSUXNSMLRG-UHFFFAOYSA-N -1 1 334.344 2.759 20 5 EFBDMM O=C(Nc1c(=O)[nH][nH]c1-c1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000590399239 479638991 /nfs/dbraw/zinc/63/89/91/479638991.db2.gz IKOQYFRMNNQUJH-UHFFFAOYSA-N -1 1 340.295 2.648 20 5 EFBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590566233 479660945 /nfs/dbraw/zinc/66/09/45/479660945.db2.gz WBHQIRPHUJDPMR-UHFFFAOYSA-N -1 1 345.340 2.708 20 5 EFBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1F ZINC000619466347 479801904 /nfs/dbraw/zinc/80/19/04/479801904.db2.gz RQJRFZVCAOQKME-UHFFFAOYSA-N -1 1 326.305 2.543 20 5 EFBDMM CC(C)(C)c1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000610264537 480264765 /nfs/dbraw/zinc/26/47/65/480264765.db2.gz UIESHGNJESEXJL-UHFFFAOYSA-N -1 1 349.412 2.766 20 5 EFBDMM CCC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610262630 480265044 /nfs/dbraw/zinc/26/50/44/480265044.db2.gz BUNWCCCUQAXBKT-RYUDHWBXSA-N -1 1 327.406 2.627 20 5 EFBDMM C[C@H]1c2ccc(F)cc2CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618383349 480651793 /nfs/dbraw/zinc/65/17/93/480651793.db2.gz OUKNWRVHVAAJKZ-VIFPVBQESA-N -1 1 331.303 2.594 20 5 EFBDMM Cc1[n-][nH]c(=O)c1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000646409788 481281564 /nfs/dbraw/zinc/28/15/64/481281564.db2.gz YCTOZCWDYQEAGY-UHFFFAOYSA-N -1 1 348.362 2.531 20 5 EFBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)c1 ZINC000571711882 518203080 /nfs/dbraw/zinc/20/30/80/518203080.db2.gz FHMNSUXKYJNCJS-UHFFFAOYSA-N -1 1 344.352 2.581 20 5 EFBDMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000119587458 518462096 /nfs/dbraw/zinc/46/20/96/518462096.db2.gz PFOPZIHIGAUUST-UHFFFAOYSA-N -1 1 334.353 2.907 20 5 EFBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000120387785 525570245 /nfs/dbraw/zinc/57/02/45/525570245.db2.gz XYSIEKHYJAJGLU-UHFFFAOYSA-N -1 1 334.353 2.639 20 5 EFBDMM CC1(c2ccccc2)CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000193750655 535212106 /nfs/dbraw/zinc/21/21/06/535212106.db2.gz YLLPQAQMHYQNLM-UHFFFAOYSA-N -1 1 341.367 2.889 20 5 EFBDMM CCOc1ccc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000355881348 535402141 /nfs/dbraw/zinc/40/21/41/535402141.db2.gz OKMSEBZIPQYTLG-UHFFFAOYSA-N -1 1 340.332 2.933 20 5 EFBDMM CN(CCCCc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193433690 536341833 /nfs/dbraw/zinc/34/18/33/536341833.db2.gz FWLNIYBARLDHIK-UHFFFAOYSA-N -1 1 329.356 2.790 20 5 EFBDMM O=C([N-]c1nc2ccc(F)cn2n1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000754625778 575463074 /nfs/dbraw/zinc/46/30/74/575463074.db2.gz RVYMVWHRFCHAKP-UHFFFAOYSA-N -1 1 335.682 2.682 20 5 EFBDMM O=C([N-]c1nc2ccc(F)cn2n1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000754631768 575463376 /nfs/dbraw/zinc/46/33/76/575463376.db2.gz REOVDPYUHXNHPF-UHFFFAOYSA-N -1 1 335.682 2.682 20 5 EFBDMM O=C([N-]c1n[nH]c(-c2ccccn2)n1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000755689778 575618983 /nfs/dbraw/zinc/61/89/83/575618983.db2.gz CYZKRKUOIJCZTB-UHFFFAOYSA-N -1 1 344.718 2.681 20 5 EFBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000756628972 575770204 /nfs/dbraw/zinc/77/02/04/575770204.db2.gz VMDSSBSGTBCZRK-UHFFFAOYSA-N -1 1 335.247 2.903 20 5 EFBDMM CCc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768879486 577313299 /nfs/dbraw/zinc/31/32/99/577313299.db2.gz CYEMBBHLYKOKHI-SECBINFHSA-N -1 1 341.414 2.653 20 5 EFBDMM Cc1ccc(Cl)cc1Oc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822240131 599083758 /nfs/dbraw/zinc/08/37/58/599083758.db2.gz TXSKFWZKGNOWSB-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM Cc1ccc(Cl)cc1Oc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822240131 599083761 /nfs/dbraw/zinc/08/37/61/599083761.db2.gz TXSKFWZKGNOWSB-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM O=C([O-])C1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000821510523 597458183 /nfs/dbraw/zinc/45/81/83/597458183.db2.gz HNKHXIFYQGPHKV-UHFFFAOYSA-N -1 1 331.328 2.546 20 5 EFBDMM O=C([O-])C[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000821516338 598152041 /nfs/dbraw/zinc/15/20/41/598152041.db2.gz QMZOIGACPWSYHY-SNVBAGLBSA-N -1 1 344.314 2.883 20 5 EFBDMM O=[N+]([O-])c1cnc(Sc2ccc3c(c2)CCC3)c(-c2nn[n-]n2)c1 ZINC000823652312 599307962 /nfs/dbraw/zinc/30/79/62/599307962.db2.gz ZQNABFMJDTWPMS-UHFFFAOYSA-N -1 1 340.368 2.810 20 5 EFBDMM COc1ccc([C@H](NCc2cc([N+](=O)[O-])ccc2OC)C(=O)[O-])cc1 ZINC000737971521 599858894 /nfs/dbraw/zinc/85/88/94/599858894.db2.gz RRJBNRQPHBQJAP-INIZCTEOSA-N -1 1 346.339 2.528 20 5 EFBDMM CCO[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C12CCC2 ZINC000825583525 607451774 /nfs/dbraw/zinc/45/17/74/607451774.db2.gz VDHOENMHAOMXDS-KGLIPLIRSA-N -1 1 344.375 2.535 20 5 EFBDMM CCO[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C12CCC2 ZINC000825583525 607451775 /nfs/dbraw/zinc/45/17/75/607451775.db2.gz VDHOENMHAOMXDS-KGLIPLIRSA-N -1 1 344.375 2.535 20 5 EFBDMM C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](C(=O)[O-])C1 ZINC000736729201 601032319 /nfs/dbraw/zinc/03/23/19/601032319.db2.gz XUALNFVKGURLJC-JQWIXIFHSA-N -1 1 346.343 2.502 20 5 EFBDMM C[C@H]1CCCC[C@H]1CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820697853 606710707 /nfs/dbraw/zinc/71/07/07/606710707.db2.gz NDDYZJMEPHGOHY-QWRGUYRKSA-N -1 1 331.380 2.798 20 5 EFBDMM C[C@H]1CCCC[C@H]1CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820697853 606710709 /nfs/dbraw/zinc/71/07/09/606710709.db2.gz NDDYZJMEPHGOHY-QWRGUYRKSA-N -1 1 331.380 2.798 20 5 EFBDMM C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000820462306 607162349 /nfs/dbraw/zinc/16/23/49/607162349.db2.gz XCZBGNTXTHTXFP-QMMMGPOBSA-N -1 1 345.750 2.996 20 5 EFBDMM C[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000820462306 607162351 /nfs/dbraw/zinc/16/23/51/607162351.db2.gz XCZBGNTXTHTXFP-QMMMGPOBSA-N -1 1 345.750 2.996 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1ccc(F)cc1F ZINC000823629893 607165293 /nfs/dbraw/zinc/16/52/93/607165293.db2.gz KYKMRXONUITAFU-UHFFFAOYSA-N -1 1 336.283 2.599 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1ccc(F)cc1F ZINC000823629893 607165295 /nfs/dbraw/zinc/16/52/95/607165295.db2.gz KYKMRXONUITAFU-UHFFFAOYSA-N -1 1 336.283 2.599 20 5 EFBDMM O=[N+]([O-])c1cnc(Oc2cccc(F)c2-c2nnn[n-]2)c(Cl)c1 ZINC000826500769 607867435 /nfs/dbraw/zinc/86/74/35/607867435.db2.gz LLUVVMCUTKWHFJ-UHFFFAOYSA-N -1 1 336.670 2.755 20 5 EFBDMM O=[N+]([O-])c1cnc(Oc2cccc(F)c2-c2nn[n-]n2)c(Cl)c1 ZINC000826500769 607867436 /nfs/dbraw/zinc/86/74/36/607867436.db2.gz LLUVVMCUTKWHFJ-UHFFFAOYSA-N -1 1 336.670 2.755 20 5 EFBDMM C[C@@H](OC(=O)c1sccc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824730971 608182150 /nfs/dbraw/zinc/18/21/50/608182150.db2.gz RSDHSSXTNHVBSB-MRVPVSSYSA-N -1 1 345.340 2.754 20 5 EFBDMM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791412179 1278094397 /nfs/dbraw/zinc/09/43/97/1278094397.db2.gz WGKIFQBAMICRIP-ZCFIWIBFSA-N -1 1 327.189 2.978 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@]12C[C@H]1CCC2 ZINC000922090756 1264345885 /nfs/dbraw/zinc/34/58/85/1264345885.db2.gz VVJXTENKMYMQHO-JMCQJSRRSA-N -1 1 334.756 2.608 20 5 EFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1C1CCCCC1 ZINC000742314364 1269995457 /nfs/dbraw/zinc/99/54/57/1269995457.db2.gz XQARGRLVOFDMOQ-DGCLKSJQSA-N -1 1 342.392 2.981 20 5 EFBDMM Cc1cc(C)nc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000786740422 1275500072 /nfs/dbraw/zinc/50/00/72/1275500072.db2.gz DOJZEDCAXQAFQV-UHFFFAOYSA-N -1 1 345.380 2.655 20 5 EFBDMM O=C(c1c([O-])cccc1Cl)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000787502480 1275788504 /nfs/dbraw/zinc/78/85/04/1275788504.db2.gz LKHNFWUKJSSURE-UHFFFAOYSA-N -1 1 348.742 2.857 20 5 EFBDMM CC1(C)C[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815012906 1287247363 /nfs/dbraw/zinc/24/73/63/1287247363.db2.gz NRTRYYQPDHBLGF-ZETCQYMHSA-N -1 1 336.772 2.712 20 5 EFBDMM CC(C)C1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000815070375 1287295709 /nfs/dbraw/zinc/29/57/09/1287295709.db2.gz VAECYMAUUYUJDA-UHFFFAOYSA-N -1 1 336.772 2.854 20 5 EFBDMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1 ZINC000809810215 1282473435 /nfs/dbraw/zinc/47/34/35/1282473435.db2.gz OYSKPWGCMMWPHP-SSDOTTSWSA-N -1 1 336.772 2.712 20 5 EFBDMM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809837035 1282498009 /nfs/dbraw/zinc/49/80/09/1282498009.db2.gz ROKHACJRFHZXJE-JGVFFNPUSA-N -1 1 336.772 2.854 20 5 EFBDMM O=C([N-]C[C@@H]1CCCN(c2ccc([N+](=O)[O-])s2)C1)C(F)(F)F ZINC000811856663 1284694510 /nfs/dbraw/zinc/69/45/10/1284694510.db2.gz SQJJFOOLRNJRIO-QMMMGPOBSA-N -1 1 337.323 2.551 20 5 EFBDMM O=C([O-])c1cc(Nc2ccc(-n3ccc(=O)[nH]3)cc2)cc([N+](=O)[O-])c1 ZINC001176682020 1288068812 /nfs/dbraw/zinc/06/88/12/1288068812.db2.gz CXDJJHUKEQHWAN-UHFFFAOYSA-N -1 1 340.295 2.928 20 5 EFBDMM COC(C[C@@H](C)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)OC ZINC001233500901 1312944555 /nfs/dbraw/zinc/94/45/55/1312944555.db2.gz WBCZSGIIGXEOFO-SSDOTTSWSA-N -1 1 329.740 2.901 20 5 EFBDMM Cc1nsc([N-]C(=O)c2cccc([N+](=O)[O-])c2Br)n1 ZINC000128982650 1292874053 /nfs/dbraw/zinc/87/40/53/1292874053.db2.gz CLTZYXXNAGOLAF-UHFFFAOYSA-N -1 1 343.162 2.770 20 5 EFBDMM O=S(=O)(C[C@@H]1CCCO1)[N-]c1cc2cccnc2c2ncccc12 ZINC001193262457 1293220185 /nfs/dbraw/zinc/22/01/85/1293220185.db2.gz QZTUKNYNQFHITR-ZDUSSCGKSA-N -1 1 343.408 2.704 20 5 EFBDMM CC[C@H](COC)Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234122981 1313061539 /nfs/dbraw/zinc/06/15/39/1313061539.db2.gz DAUUPXLUQZWOED-SNVBAGLBSA-N -1 1 346.335 2.867 20 5 EFBDMM CC(C)OCCOc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234124751 1313061920 /nfs/dbraw/zinc/06/19/20/1313061920.db2.gz KOWVTAYVOJCIRG-UHFFFAOYSA-N -1 1 346.335 2.867 20 5 EFBDMM COC(=O)c1ccc(C(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])[n-]1 ZINC000796360023 1294546893 /nfs/dbraw/zinc/54/68/93/1294546893.db2.gz CSAQHGUCHMGXIE-UHFFFAOYSA-N -1 1 338.703 2.720 20 5 EFBDMM CC[C@@H](Oc1cc([O-])cc2oc3c(O)cccc3c(=O)c12)C(=O)OC ZINC001234740661 1313187380 /nfs/dbraw/zinc/18/73/80/1313187380.db2.gz AIAJNCSZFYDVKG-GFCCVEGCSA-N -1 1 344.319 2.688 20 5 EFBDMM CC[C@H](COC)Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234751183 1313188676 /nfs/dbraw/zinc/18/86/76/1313188676.db2.gz SNNQMUDUZSEPCZ-SNVBAGLBSA-N -1 1 346.335 2.867 20 5 EFBDMM O=c1c2ccc(O)c(OC[C@@H]3CCCO3)c2oc2cc([O-])cc(O)c12 ZINC001234751038 1313188694 /nfs/dbraw/zinc/18/86/94/1313188694.db2.gz ROQMQTBSLZFDHP-JTQLQIEISA-N -1 1 344.319 2.621 20 5 EFBDMM O=C1CCCC[C@@H]1Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234875864 1313201634 /nfs/dbraw/zinc/20/16/34/1313201634.db2.gz WFDGUZJDAXGOEY-NSHDSACASA-N -1 1 330.134 2.953 20 5 EFBDMM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903903925 1313384783 /nfs/dbraw/zinc/38/47/83/1313384783.db2.gz GSYHIFKHOYZUOQ-BDAKNGLRSA-N -1 1 343.177 2.652 20 5 EFBDMM Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000853989184 1300378874 /nfs/dbraw/zinc/37/88/74/1300378874.db2.gz JUTWLUGXFOAQOC-SKDRFNHKSA-N -1 1 345.321 2.797 20 5 EFBDMM CON(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](C)c1ccccc1C ZINC000854520633 1300606914 /nfs/dbraw/zinc/60/69/14/1300606914.db2.gz IKQYQYBAPNNBKW-LLVKDONJSA-N -1 1 331.328 2.769 20 5 EFBDMM CC1(c2nsc([N-]C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)CC1 ZINC000862609296 1302425858 /nfs/dbraw/zinc/42/58/58/1302425858.db2.gz NKTMMGJMBUDYLR-UHFFFAOYSA-N -1 1 349.328 2.658 20 5 EFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2C=CCC2)c1Cl ZINC000849428053 1335613497 /nfs/dbraw/zinc/61/34/97/1335613497.db2.gz PFIYCDIKLSCEIN-ZETCQYMHSA-N -1 1 337.184 2.899 20 5 EFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cs1 ZINC000800927765 1308684810 /nfs/dbraw/zinc/68/48/10/1308684810.db2.gz AGFHWXQXZXVSGE-UHFFFAOYSA-N -1 1 347.305 2.504 20 5 EFBDMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)Cc2ccc(F)cc2F)c1 ZINC000800928146 1308689330 /nfs/dbraw/zinc/68/93/30/1308689330.db2.gz JEUIHOZTZXHYDS-UHFFFAOYSA-N -1 1 346.286 2.954 20 5 EFBDMM Cc1ccc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)cn1 ZINC000800932579 1308699991 /nfs/dbraw/zinc/69/99/91/1308699991.db2.gz HZTFTFHGTBJKOH-UHFFFAOYSA-N -1 1 325.321 2.547 20 5 EFBDMM Cc1nc(Nc2ccc([O-])c([N+](=O)[O-])c2)cnc1Br ZINC001210392621 1314325308 /nfs/dbraw/zinc/32/53/08/1314325308.db2.gz IOIXCOOXSKENLI-UHFFFAOYSA-N -1 1 325.122 2.905 20 5 EFBDMM O=[N+]([O-])c1cc(Nc2cc(-c3ccccc3)nn2CCO)ccc1[O-] ZINC001210394143 1314325691 /nfs/dbraw/zinc/32/56/91/1314325691.db2.gz PKGBIJSALJSZSQ-UHFFFAOYSA-N -1 1 340.339 2.900 20 5 EFBDMM CCOC(=O)c1nc(Cl)ncc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210396173 1314325710 /nfs/dbraw/zinc/32/57/10/1314325710.db2.gz LQGUARZRJUSFGQ-UHFFFAOYSA-N -1 1 338.707 2.664 20 5 EFBDMM CCOC(=O)c1cnn2ccc(Nc3ccc([O-])c([N+](=O)[O-])c3)cc12 ZINC001210394193 1314325743 /nfs/dbraw/zinc/32/57/43/1314325743.db2.gz RDZNNAGTEXGCDX-UHFFFAOYSA-N -1 1 342.311 2.868 20 5 EFBDMM Cc1cnn(Cc2cccnc2)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393791 1314325779 /nfs/dbraw/zinc/32/57/79/1314325779.db2.gz ZIQVVGPMOUGVCK-UHFFFAOYSA-N -1 1 325.328 2.992 20 5 EFBDMM CCOC(=O)c1oc2nccnc2c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393101 1314325786 /nfs/dbraw/zinc/32/57/86/1314325786.db2.gz NWXZLNCZPNANJJ-UHFFFAOYSA-N -1 1 344.283 2.757 20 5 EFBDMM CSc1nnc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(SC)n1 ZINC001210393042 1314325798 /nfs/dbraw/zinc/32/57/98/1314325798.db2.gz UVDMYEIFSOVFLQ-UHFFFAOYSA-N -1 1 325.375 2.673 20 5 EFBDMM Nc1cccnc1N(c1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CC[C@H](O)CC1 ZINC001210396243 1314325802 /nfs/dbraw/zinc/32/58/02/1314325802.db2.gz PCMWURNJPYIFOM-AULYBMBSSA-N -1 1 344.371 2.719 20 5 EFBDMM C[C@H](CN(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000901596161 1310725627 /nfs/dbraw/zinc/72/56/27/1310725627.db2.gz FIYNEMPVOQIYMQ-SNVBAGLBSA-N -1 1 335.385 2.871 20 5 EFBDMM CC(C)CCc1noc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000780067123 1310936603 /nfs/dbraw/zinc/93/66/03/1310936603.db2.gz FDYBZFPPZUIYCN-UHFFFAOYSA-N -1 1 335.316 2.629 20 5 EFBDMM COC[C@@]1(C(=O)[O-])CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000901864519 1311132519 /nfs/dbraw/zinc/13/25/19/1311132519.db2.gz GTWQRHSGLDXJAH-OAHLLOKOSA-N -1 1 342.779 2.561 20 5 EFBDMM COC[C@]1(C(=O)[O-])CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000901864518 1311132568 /nfs/dbraw/zinc/13/25/68/1311132568.db2.gz GTWQRHSGLDXJAH-HNNXBMFYSA-N -1 1 342.779 2.561 20 5 EFBDMM COC(=O)[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1F ZINC000780074150 1311161390 /nfs/dbraw/zinc/16/13/90/1311161390.db2.gz CWNLODRYNMCWME-CQSZACIVSA-N -1 1 349.270 2.511 20 5 EFBDMM CCCCC[C@@H](C)NC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074034 1311169523 /nfs/dbraw/zinc/16/95/23/1311169523.db2.gz BFPSOKXGPSUDIC-LLVKDONJSA-N -1 1 338.360 2.542 20 5 EFBDMM Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000780075499 1311192639 /nfs/dbraw/zinc/19/26/39/1311192639.db2.gz KQODPBYDQUHOGB-LLVKDONJSA-N -1 1 344.323 2.793 20 5 EFBDMM O=C(OCc1ccc(-n2cccn2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780076345 1311217907 /nfs/dbraw/zinc/21/79/07/1311217907.db2.gz PHAUTCXNJPVQGW-UHFFFAOYSA-N -1 1 339.307 2.843 20 5 EFBDMM COc1ccccc1OCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780077040 1311266490 /nfs/dbraw/zinc/26/64/90/1311266490.db2.gz UKSGYAKRWQSNSW-UHFFFAOYSA-N -1 1 333.296 2.545 20 5 EFBDMM O=c1nc2nc[nH]c2c(Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)[n-]1 ZINC001159205401 1311472963 /nfs/dbraw/zinc/47/29/63/1311472963.db2.gz ZPQVWGFSXMDWSE-UHFFFAOYSA-N -1 1 349.310 2.772 20 5 EFBDMM CCOC(=O)[C@@H](CCc1ccccc1)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225666747 1311562180 /nfs/dbraw/zinc/56/21/80/1311562180.db2.gz LUGXGWFDMAGXGD-CQSZACIVSA-N -1 1 346.339 2.639 20 5 EFBDMM CCOC(=O)[C@@H](CCc1ccccc1)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666747 1311562184 /nfs/dbraw/zinc/56/21/84/1311562184.db2.gz LUGXGWFDMAGXGD-CQSZACIVSA-N -1 1 346.339 2.639 20 5 EFBDMM CC(=O)c1c(O)cc([O-])cc1O[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001225677329 1311563616 /nfs/dbraw/zinc/56/36/16/1311563616.db2.gz OJIZZCVZWUILSH-CQSZACIVSA-N -1 1 329.308 2.755 20 5 EFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](C)c1ccc(C)nc1 ZINC001226308997 1311646059 /nfs/dbraw/zinc/64/60/59/1311646059.db2.gz BOZGIECTVDQABT-JTQLQIEISA-N -1 1 347.327 2.716 20 5 EFBDMM O=c1c2cc(OC3CCOCC3)c([O-])cc2oc2cccc(O)c12 ZINC001227307325 1311791483 /nfs/dbraw/zinc/79/14/83/1311791483.db2.gz VWZMOTHRPACDSD-UHFFFAOYSA-N -1 1 328.320 2.915 20 5 EFBDMM CC(C)N1CC(Oc2cc3c(=O)c4c(O)cccc4oc3cc2[O-])C1 ZINC001227306958 1311791662 /nfs/dbraw/zinc/79/16/62/1311791662.db2.gz QXMBJJSBJUWAOV-UHFFFAOYSA-N -1 1 341.363 2.829 20 5 EFBDMM C[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1ccc(Br)cc1 ZINC001228142558 1311906597 /nfs/dbraw/zinc/90/65/97/1311906597.db2.gz FARZIIHKHNHAFV-SSDOTTSWSA-N -1 1 340.133 2.993 20 5 EFBDMM COC(=O)[C@@H](Cc1ccc(F)cc1)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229397707 1312088927 /nfs/dbraw/zinc/08/89/27/1312088927.db2.gz KKAOMSWFOUTONA-OAHLLOKOSA-N -1 1 335.287 2.603 20 5 EFBDMM COC(=O)C1CC(Oc2ccc3c(c2)oc2cc([O-])ccc2c3=O)C1 ZINC001229518277 1312108995 /nfs/dbraw/zinc/10/89/95/1312108995.db2.gz SJBMVXJGAQGZJS-UHFFFAOYSA-N -1 1 340.331 2.982 20 5 EFBDMM O=c1oc2cc([O-])ccc2c2cc(OC[C@@H]3CCCO3)c(O)cc12 ZINC001229802211 1312142715 /nfs/dbraw/zinc/14/27/15/1312142715.db2.gz INHOJKVRQIUWJN-NSHDSACASA-N -1 1 328.320 2.915 20 5 EFBDMM O=[N+]([O-])C[C@H](Oc1cccnc1-c1ncccc1[O-])c1cccnc1 ZINC001231199104 1312452415 /nfs/dbraw/zinc/45/24/15/1312452415.db2.gz AQYZCZSOBRXPEZ-HNNXBMFYSA-N -1 1 338.323 2.641 20 5 EFBDMM COC(=O)c1ccc([C@H](C)Oc2nc(C)cc([O-])c2[N+](=O)[O-])cc1 ZINC001231259238 1312465566 /nfs/dbraw/zinc/46/55/66/1312465566.db2.gz IEPGCLAJMBOMHM-JTQLQIEISA-N -1 1 332.312 2.930 20 5 EFBDMM CCOc1cccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000119593225 1314671821 /nfs/dbraw/zinc/67/18/21/1314671821.db2.gz YINRFDUMHNKNJO-UHFFFAOYSA-N -1 1 342.398 2.534 20 5 EFBDMM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n[nH]1 ZINC000120051507 1314765014 /nfs/dbraw/zinc/76/50/14/1314765014.db2.gz ZNCLFUMYEBZMNV-UHFFFAOYSA-N -1 1 344.418 2.769 20 5 EFBDMM COC(=O)c1ncc(Cl)nc1[N-]c1c(F)ccc([N+](=O)[O-])c1F ZINC001215289304 1314809826 /nfs/dbraw/zinc/80/98/26/1314809826.db2.gz IKYNZJXXENXUBK-UHFFFAOYSA-N -1 1 344.661 2.847 20 5 EFBDMM O=c1cccc2oc3cc([O-])c(O[C@H]4CCCC[NH2+]C4)cc3c([O-])c1-2 ZINC001217970067 1315126546 /nfs/dbraw/zinc/12/65/46/1315126546.db2.gz CCIVVTUSDPEIGW-NSHDSACASA-N -1 1 341.363 2.878 20 5 EFBDMM C[C@@H]1CC[C@@H](Oc2cc3c([O-])c4c(=O)cccc-4oc3cc2[O-])C[NH2+]1 ZINC001218398706 1315189860 /nfs/dbraw/zinc/18/98/60/1315189860.db2.gz MGQQFUVEOKOSRV-GHMZBOCLSA-N -1 1 341.363 2.877 20 5 EFBDMM COCOc1ccc2nc(-c3cc([N+](=O)[O-])cc(OC)c3[O-])[nH]c2c1 ZINC001250818456 1315271605 /nfs/dbraw/zinc/27/16/05/1315271605.db2.gz FDJLJCOTJHRSSN-UHFFFAOYSA-N -1 1 345.311 2.835 20 5 EFBDMM COCCn1c2ccc(F)cc2nc1-c1cc([N+](=O)[O-])c(O)cc1[O-] ZINC001251086886 1315320537 /nfs/dbraw/zinc/32/05/37/1315320537.db2.gz GOUXVPZEKSESIL-UHFFFAOYSA-N -1 1 347.302 2.808 20 5 EFBDMM COCCn1c2ccc(F)cc2nc1-c1cc([N+](=O)[O-])c([O-])cc1O ZINC001251086886 1315320542 /nfs/dbraw/zinc/32/05/42/1315320542.db2.gz GOUXVPZEKSESIL-UHFFFAOYSA-N -1 1 347.302 2.808 20 5 EFBDMM Nc1nccc(C(=O)[N-]c2nnc(C3CCCCC3)s2)c1[N+](=O)[O-] ZINC000847375520 1333621748 /nfs/dbraw/zinc/62/17/48/1333621748.db2.gz FQWVACXRGMQCPM-UHFFFAOYSA-N -1 1 348.388 2.724 20 5 EFBDMM C[C@@H](NCc1cccc(-c2nnn[n-]2)c1F)c1cccc([N+](=O)[O-])c1 ZINC000824617891 1428728422 /nfs/dbraw/zinc/72/84/22/1428728422.db2.gz LBXVBUCPIZFPGG-SNVBAGLBSA-N -1 1 342.334 2.765 20 5 EFBDMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc([N+](=O)[O-])c1 ZINC000820512884 1428748283 /nfs/dbraw/zinc/74/82/83/1428748283.db2.gz OWBUOVKANNWJBZ-QMMMGPOBSA-N -1 1 345.340 2.754 20 5 EFBDMM CSc1ccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821984344 1428888692 /nfs/dbraw/zinc/88/86/92/1428888692.db2.gz NOCPYEGWAZMCEG-UHFFFAOYSA-N -1 1 330.329 2.684 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822271328 1429029481 /nfs/dbraw/zinc/02/94/81/1429029481.db2.gz XGUWXZVQEAMORE-UHFFFAOYSA-N -1 1 329.291 2.801 20 5 EFBDMM O=[N+]([O-])c1c(Cl)cc(Cl)cc1CSCCc1nnn[n-]1 ZINC000882190854 1429252076 /nfs/dbraw/zinc/25/20/76/1429252076.db2.gz PUUQAXYRYVVZFY-UHFFFAOYSA-N -1 1 334.188 2.891 20 5 EFBDMM Cc1cccc2c1CC[C@H]2Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737407735 1423554712 /nfs/dbraw/zinc/55/47/12/1423554712.db2.gz DULMCQJNQQHGGH-CQSZACIVSA-N -1 1 337.343 2.578 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCCc2ccccc21 ZINC000823620943 1423772366 /nfs/dbraw/zinc/77/23/66/1423772366.db2.gz UCQWKWMNYBNRGC-ZDUSSCGKSA-N -1 1 337.343 2.659 20 5 EFBDMM CCO[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C12CCC2 ZINC000821358153 1429715411 /nfs/dbraw/zinc/71/54/11/1429715411.db2.gz HTIYAQFBGIRUTC-KGLIPLIRSA-N -1 1 344.375 2.535 20 5 EFBDMM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738179703 1424926007 /nfs/dbraw/zinc/92/60/07/1424926007.db2.gz ZSUDOYGJULCNJO-UHFFFAOYSA-N -1 1 344.718 2.681 20 5 EFBDMM O=[N+]([O-])c1cnc(N[C@H]2CCCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000823651957 1425471501 /nfs/dbraw/zinc/47/15/01/1425471501.db2.gz SYNBRXFDSIUNGN-AWEZNQCLSA-N -1 1 337.343 2.659 20 5 EFBDMM CCNc1ccc(-c2nnn[n-]2)cc1NCc1csc([N+](=O)[O-])c1 ZINC000825480819 1426273885 /nfs/dbraw/zinc/27/38/85/1426273885.db2.gz MJDQDLNPTLNKED-UHFFFAOYSA-N -1 1 345.388 2.880 20 5 EFBDMM O=[N+]([O-])c1cnc(NCCCCC2CCCC2)c(-c2nnn[n-]2)c1 ZINC000823652206 1426611109 /nfs/dbraw/zinc/61/11/09/1426611109.db2.gz WMYFMBPPEQKYGP-UHFFFAOYSA-N -1 1 331.380 2.942 20 5 EFBDMM COCCC1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCC1 ZINC000821686847 1427070113 /nfs/dbraw/zinc/07/01/13/1427070113.db2.gz BUDSCNZYZMYIGQ-UHFFFAOYSA-N -1 1 346.391 2.784 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1C[C@@H]1C1CCCCC1 ZINC000823620949 1427227305 /nfs/dbraw/zinc/22/73/05/1427227305.db2.gz UOBVRKLJSXQLLX-NEPJUHHUSA-N -1 1 329.364 2.551 20 5 EFBDMM C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000820462080 1427344230 /nfs/dbraw/zinc/34/42/30/1427344230.db2.gz URELZAXRIBXCFZ-MRVPVSSYSA-N -1 1 345.750 2.996 20 5 EFBDMM O=[N+]([O-])c1ccc(-c2cnn(Cc3ccccc3-c3nnn[n-]3)c2)cc1 ZINC000738359817 1427592788 /nfs/dbraw/zinc/59/27/88/1427592788.db2.gz NYMWDWXLCSCTCB-UHFFFAOYSA-N -1 1 347.338 2.687 20 5 EFBDMM O=[N+]([O-])c1ccc(Oc2cccc(-n3cccn3)c2)c(-c2nn[n-]n2)c1 ZINC000738367513 1427635047 /nfs/dbraw/zinc/63/50/47/1427635047.db2.gz UDNDHLATTUBXRP-UHFFFAOYSA-N -1 1 349.310 2.753 20 5 EFBDMM COc1ccc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)c([N+](=O)[O-])c1 ZINC000821845966 1427675216 /nfs/dbraw/zinc/67/52/16/1427675216.db2.gz MSIIDMKVENNFKA-UHFFFAOYSA-N -1 1 348.706 2.624 20 5 EFBDMM C[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000820451077 1427686259 /nfs/dbraw/zinc/68/62/59/1427686259.db2.gz SKXYJXTVZYDNLI-QMMMGPOBSA-N -1 1 325.332 2.534 20 5 EFBDMM C[C@H]1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)C1 ZINC000824917910 1427913271 /nfs/dbraw/zinc/91/32/71/1427913271.db2.gz PDYJZDXFEPGWGD-MEDUHNTESA-N -1 1 328.376 2.791 20 5 EFBDMM Cc1ccc([C@H](C)Nc2nccc(C)c2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826284570 1429866701 /nfs/dbraw/zinc/86/67/01/1429866701.db2.gz YBYMIFICBUSEIF-NSHDSACASA-N -1 1 339.359 2.960 20 5 EFBDMM O=[N+]([O-])c1cnc(N2CCC[C@@H]2c2ccsc2)c(-c2nnn[n-]2)c1 ZINC000738370533 1430142705 /nfs/dbraw/zinc/14/27/05/1430142705.db2.gz VIRXQGMPBNSQLE-GFCCVEGCSA-N -1 1 343.372 2.573 20 5 EFBDMM CCO[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C12CCC2 ZINC000821358152 1441472958 /nfs/dbraw/zinc/47/29/58/1441472958.db2.gz HTIYAQFBGIRUTC-KBPBESRZSA-N -1 1 344.375 2.535 20 5 EFBDMM C[C@H]1CCC[C@H](CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736252832 1441820405 /nfs/dbraw/zinc/82/04/05/1441820405.db2.gz RUJVUMZFFMDEDI-WDEREUQCSA-N -1 1 331.380 2.798 20 5 EFBDMM Cc1ccnc(N[C@H](C)c2cccc([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000826311712 1441838024 /nfs/dbraw/zinc/83/80/24/1441838024.db2.gz LTIHMZNXOGWFMS-SNVBAGLBSA-N -1 1 325.332 2.651 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N(Cc1ccccc1)C1CC1 ZINC000738357592 1441915665 /nfs/dbraw/zinc/91/56/65/1441915665.db2.gz FYKMGTBHWIBEAD-UHFFFAOYSA-N -1 1 336.355 2.944 20 5 EFBDMM Cc1ccc2c(c1)CC[C@@H]2Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822274681 1442016981 /nfs/dbraw/zinc/01/69/81/1442016981.db2.gz FVMXNFKRMXAMES-ZDUSSCGKSA-N -1 1 337.343 2.578 20 5 EFBDMM O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826455249 1442081698 /nfs/dbraw/zinc/08/16/98/1442081698.db2.gz GFDFSOOVMYEVAV-UHFFFAOYSA-N -1 1 344.718 2.681 20 5 EFBDMM Cc1ccc(-c2nnn[n-]2)cc1OCCOc1ccccc1[N+](=O)[O-] ZINC000822221214 1442232070 /nfs/dbraw/zinc/23/20/70/1442232070.db2.gz FTPOIIIZQVFWTG-UHFFFAOYSA-N -1 1 341.327 2.541 20 5 EFBDMM CSCc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821970252 1442236988 /nfs/dbraw/zinc/23/69/88/1442236988.db2.gz MJGUMMWJTQLDDL-UHFFFAOYSA-N -1 1 343.372 2.777 20 5 EFBDMM Cc1cc(-c2nn[n-]n2)ccc1Oc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000826255389 1442313445 /nfs/dbraw/zinc/31/34/45/1442313445.db2.gz WQGFHZJQMYOIFH-UHFFFAOYSA-N -1 1 349.310 2.819 20 5 EFBDMM CC(C)(CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccs1 ZINC000735670974 1442316114 /nfs/dbraw/zinc/31/61/14/1442316114.db2.gz IERUMODDZHORMJ-UHFFFAOYSA-N -1 1 345.388 2.621 20 5 EFBDMM CC[C@@H](C)CN(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820869600 1442357419 /nfs/dbraw/zinc/35/74/19/1442357419.db2.gz IFYFKMOPZPABMT-SNVBAGLBSA-N -1 1 341.375 2.805 20 5 EFBDMM Cc1occc1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826342352 1443289837 /nfs/dbraw/zinc/28/98/37/1443289837.db2.gz HHSYAXOQRNCUHR-UHFFFAOYSA-N -1 1 348.706 2.582 20 5 EFBDMM C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736203974 1443441330 /nfs/dbraw/zinc/44/13/30/1443441330.db2.gz PBAFPWCERXHRNR-GFCCVEGCSA-N -1 1 338.371 2.968 20 5 EFBDMM C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736203974 1443441332 /nfs/dbraw/zinc/44/13/32/1443441332.db2.gz PBAFPWCERXHRNR-GFCCVEGCSA-N -1 1 338.371 2.968 20 5 EFBDMM C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)Oc1ccccc1 ZINC000736025488 1443469555 /nfs/dbraw/zinc/46/95/55/1443469555.db2.gz HSQXOMWNFMQAOI-NSHDSACASA-N -1 1 340.343 2.654 20 5 EFBDMM O=[N+]([O-])c1c(Sc2cccc(-c3nn[n-]n3)c2)nc2ccccn21 ZINC000823629573 1443498549 /nfs/dbraw/zinc/49/85/49/1443498549.db2.gz AIXPVCLXHCQLJU-UHFFFAOYSA-N -1 1 339.340 2.574 20 5 EFBDMM COc1ccc(CNc2cc([N+](=O)[O-])ccc2C)cc1-c1nnn[n-]1 ZINC000826203794 1443511262 /nfs/dbraw/zinc/51/12/62/1443511262.db2.gz GLVMZURIOWMIAI-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM CC1(C)C[C@H]1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820590033 1443669721 /nfs/dbraw/zinc/66/97/21/1443669721.db2.gz PJIDXUPAHMYWNN-VIFPVBQESA-N -1 1 339.359 2.781 20 5 EFBDMM O=[N+]([O-])c1cnc(Sc2ccc(Cl)cc2)c(-c2nnn[n-]2)c1 ZINC000738375370 1443835520 /nfs/dbraw/zinc/83/55/20/1443835520.db2.gz ZHFSNWQCFGRDSJ-UHFFFAOYSA-N -1 1 334.748 2.975 20 5 EFBDMM CCCC1CCC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821040686 1443909078 /nfs/dbraw/zinc/90/90/78/1443909078.db2.gz PJTPOIFEGRQTBQ-UHFFFAOYSA-N -1 1 331.380 2.941 20 5 EFBDMM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736296202 1446100191 /nfs/dbraw/zinc/10/01/91/1446100191.db2.gz GBFADPLVNBTXOW-LLVKDONJSA-N -1 1 336.355 2.726 20 5 EFBDMM Cc1cc(C)c([N+](=O)[O-])c(OCc2cc(-c3nnn[n-]3)ccc2F)n1 ZINC000826263753 1446130901 /nfs/dbraw/zinc/13/09/01/1446130901.db2.gz OZZSCENWFCEFFU-UHFFFAOYSA-N -1 1 344.306 2.505 20 5 EFBDMM Cc1cc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ncc1[N+](=O)[O-] ZINC000822209453 1446244321 /nfs/dbraw/zinc/24/43/21/1446244321.db2.gz JOFGRSLNSQQNRA-JTQLQIEISA-N -1 1 325.332 2.651 20 5 EFBDMM O=[N+]([O-])c1ccc(N(CC(F)F)CC2CCC2)c(-c2nnn[n-]2)c1 ZINC000826498146 1446273917 /nfs/dbraw/zinc/27/39/17/1446273917.db2.gz IVQMPAXUVJNMJL-UHFFFAOYSA-N -1 1 338.318 2.647 20 5 EFBDMM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826468397 1446948591 /nfs/dbraw/zinc/94/85/91/1446948591.db2.gz OKOJUKRSGFKEMS-UHFFFAOYSA-N -1 1 345.702 2.648 20 5 EFBDMM COCc1ccc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cc1 ZINC000826164732 1447115745 /nfs/dbraw/zinc/11/57/45/1447115745.db2.gz NKXPDSVQSYCKMB-UHFFFAOYSA-N -1 1 340.343 2.533 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(N2CCc3ccc(-c4nnn[n-]4)cc32)c(F)c1 ZINC000826498347 1447122279 /nfs/dbraw/zinc/12/22/79/1447122279.db2.gz QSLKITMZBNYLIO-UHFFFAOYSA-N -1 1 344.281 2.747 20 5 EFBDMM C[C@H]1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)C1 ZINC000824917911 1447218097 /nfs/dbraw/zinc/21/80/97/1447218097.db2.gz PDYJZDXFEPGWGD-ZBEGNZNMSA-N -1 1 328.376 2.791 20 5 EFBDMM CCC[C@@H](C)N(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821015910 1447291028 /nfs/dbraw/zinc/29/10/28/1447291028.db2.gz SOUZKDSGXPICRU-SNVBAGLBSA-N -1 1 341.375 2.948 20 5 EFBDMM O=[N+]([O-])c1cnc(NCc2cc(-c3nn[n-]n3)ccc2F)c(Cl)c1 ZINC000823651917 1449291615 /nfs/dbraw/zinc/29/16/15/1449291615.db2.gz RLILNZNERIQIJM-UHFFFAOYSA-N -1 1 349.713 2.575 20 5 EFBDMM C[C@H]1CCC[C@@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820697630 1449662622 /nfs/dbraw/zinc/66/26/22/1449662622.db2.gz JQMOUDUMPHRPAS-ZANVPECISA-N -1 1 339.359 2.924 20 5 EFBDMM CC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccncc1 ZINC000820924914 1450161419 /nfs/dbraw/zinc/16/14/19/1450161419.db2.gz BTOWXORYJFDVBF-LBPRGKRZSA-N -1 1 325.332 2.733 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1ccc(F)c(F)c1 ZINC000823630322 1450213932 /nfs/dbraw/zinc/21/39/32/1450213932.db2.gz WZUCWCLKQFLWBB-UHFFFAOYSA-N -1 1 336.283 2.599 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000823629881 1450263746 /nfs/dbraw/zinc/26/37/46/1450263746.db2.gz KQILDSAZWWUOAN-DZGCQCFKSA-N -1 1 336.355 2.818 20 5 EFBDMM O=[N+]([O-])c1cccc(CN(Cc2ccc(-c3nnn[n-]3)o2)C2CC2)c1 ZINC000826499497 1450265763 /nfs/dbraw/zinc/26/57/63/1450265763.db2.gz KWEMUDQKWSNMJF-UHFFFAOYSA-N -1 1 340.343 2.533 20 5 EFBDMM CN(Cc1cccc(-c2nnn[n-]2)c1F)Cc1ccccc1[N+](=O)[O-] ZINC000825986036 1450365705 /nfs/dbraw/zinc/36/57/05/1450365705.db2.gz LNFIYRKYQMRWLM-UHFFFAOYSA-N -1 1 342.334 2.546 20 5 EFBDMM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CC1 ZINC000798225160 725024849 /nfs/dbraw/zinc/02/48/49/725024849.db2.gz OLLOKLHLRBRKEA-LURJTMIESA-N -1 1 339.200 2.978 20 5 EFBDMM CC(C)c1ncc(S(=O)(=O)Oc2c(Cl)cccc2[N+](=O)[O-])[n-]1 ZINC000127573167 725623034 /nfs/dbraw/zinc/62/30/34/725623034.db2.gz XCYPEIFQQUEJBM-UHFFFAOYSA-N -1 1 345.764 2.862 20 5 EFBDMM CC(C)c1nc(S(=O)(=O)Oc2c(Cl)cccc2[N+](=O)[O-])c[n-]1 ZINC000127573167 725623037 /nfs/dbraw/zinc/62/30/37/725623037.db2.gz XCYPEIFQQUEJBM-UHFFFAOYSA-N -1 1 345.764 2.862 20 5 EFBDMM CN1Cc2ccccc2[C@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000910362511 727434178 /nfs/dbraw/zinc/43/41/78/727434178.db2.gz FXGUOSMROZNEEP-MRXNPFEDSA-N -1 1 341.367 2.821 20 5 EFBDMM CN1Cc2ccccc2[C@@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000910362509 727434185 /nfs/dbraw/zinc/43/41/85/727434185.db2.gz FXGUOSMROZNEEP-INIZCTEOSA-N -1 1 341.367 2.821 20 5 EFBDMM O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1ccc([N+](=O)[O-])[n-]1 ZINC000732970723 727586760 /nfs/dbraw/zinc/58/67/60/727586760.db2.gz BSNNZURLAUEUFQ-UHFFFAOYSA-N -1 1 333.304 2.833 20 5 EFBDMM C[C@H](Cc1ccco1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000920315266 729173128 /nfs/dbraw/zinc/17/31/28/729173128.db2.gz NXJLCZJBKVCGCC-SECBINFHSA-N -1 1 344.776 2.751 20 5 EFBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cccc(Cl)n1 ZINC000130771036 729498628 /nfs/dbraw/zinc/49/86/28/729498628.db2.gz DPZFEUUEXDPNST-UHFFFAOYSA-N -1 1 341.776 2.628 20 5 EFBDMM C[C@]1(C(=O)[O-])CCN(Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000062935386 948967289 /nfs/dbraw/zinc/96/72/89/948967289.db2.gz NWYWBCXQUJYMLY-ZDUSSCGKSA-N -1 1 343.177 2.654 20 5 EFBDMM CC[C@]1(C(=O)[O-])CCCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC001589606256 949276949 /nfs/dbraw/zinc/27/69/49/949276949.db2.gz GXEKRSDXEKSZFB-INIZCTEOSA-N -1 1 340.351 2.819 20 5 EFBDMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC001589280292 953495314 /nfs/dbraw/zinc/49/53/14/953495314.db2.gz CIBBAIWLUQYALD-AAEUAGOBSA-N -1 1 345.355 2.792 20 5 EFBDMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001573712742 959859531 /nfs/dbraw/zinc/85/95/31/959859531.db2.gz VIJDHGKYIRPWTC-WCQYABFASA-N -1 1 345.355 2.935 20 5 EFBDMM CC(C)CN(CC(=O)[O-])Cc1cccc([N+](=O)[O-])c1Br ZINC000232583470 960284714 /nfs/dbraw/zinc/28/47/14/960284714.db2.gz NSKSERKLUPNPTF-UHFFFAOYSA-N -1 1 345.193 2.900 20 5 EFBDMM CCN(Cc1ccc([N+](=O)[O-])cc1Br)[C@@H](C)C(=O)[O-] ZINC000707972825 969030912 /nfs/dbraw/zinc/03/09/12/969030912.db2.gz PQCAHUUHXHLZIZ-QMMMGPOBSA-N -1 1 331.166 2.652 20 5 EFBDMM O=C([O-])[C@]1(C(F)(F)F)CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000901785091 980514964 /nfs/dbraw/zinc/51/49/64/980514964.db2.gz CIMDLCYCOPHVCZ-MFBWXBCUSA-N -1 1 344.289 2.947 20 5 EFBDMM O=C([O-])C[C@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000902007663 980685196 /nfs/dbraw/zinc/68/51/96/980685196.db2.gz NRLAUVXJWKSMIF-SNVBAGLBSA-N -1 1 330.287 2.635 20 5 EFBDMM O=C([O-])C[C@H]1CCCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000902009855 980688011 /nfs/dbraw/zinc/68/80/11/980688011.db2.gz JKTCWYOBNZAQBK-SECBINFHSA-N -1 1 343.177 2.796 20 5 EFBDMM Cc1c(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc2cncn21 ZINC001599983097 986191552 /nfs/dbraw/zinc/19/15/52/986191552.db2.gz YJJDYJKIVMFZIV-UHFFFAOYSA-N -1 1 340.295 2.501 20 5 EFBDMM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@@](C)(O)c1ccccc1 ZINC001598506766 992513457 /nfs/dbraw/zinc/51/34/57/992513457.db2.gz GJISOXKXSHZBSF-GOSISDBHSA-N -1 1 344.367 2.633 20 5 EFBDMM C[C@H](NCC(=O)Nc1ccc(C(=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC001593236770 994407700 /nfs/dbraw/zinc/40/77/00/994407700.db2.gz IVNMGXIOLDSLHN-NSHDSACASA-N -1 1 343.339 2.582 20 5 EFBDMM C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001593304351 994744494 /nfs/dbraw/zinc/74/44/94/994744494.db2.gz LEZBKDQYSDRYMR-GFCCVEGCSA-N -1 1 330.340 2.909 20 5 EFBDMM C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001593304352 994744962 /nfs/dbraw/zinc/74/49/62/994744962.db2.gz LEZBKDQYSDRYMR-LBPRGKRZSA-N -1 1 330.340 2.909 20 5 EFBDMM C[C@](NCc1cccc2c1OCC2)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593304393 994746457 /nfs/dbraw/zinc/74/64/57/994746457.db2.gz MOBOWFFFLVYEAV-GOSISDBHSA-N -1 1 342.351 2.619 20 5 EFBDMM CN(C)c1cc(F)cc(Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])c1 ZINC001578997228 1090494966 /nfs/dbraw/zinc/49/49/66/1090494966.db2.gz YKCGZJBNNMUOJL-UHFFFAOYSA-N -1 1 349.351 2.785 20 5 EFBDMM CN(C)c1cc(F)cc(Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])c1 ZINC001578997228 1090494968 /nfs/dbraw/zinc/49/49/68/1090494968.db2.gz YKCGZJBNNMUOJL-UHFFFAOYSA-N -1 1 349.351 2.785 20 5 EFBDMM COC[C@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1ccccc1 ZINC001579699843 1090665387 /nfs/dbraw/zinc/66/53/87/1090665387.db2.gz NFTOLGBCHSWCBK-NSHDSACASA-N -1 1 346.372 2.636 20 5 EFBDMM COC[C@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1ccccc1 ZINC001579699843 1090665390 /nfs/dbraw/zinc/66/53/90/1090665390.db2.gz NFTOLGBCHSWCBK-NSHDSACASA-N -1 1 346.372 2.636 20 5 EFBDMM COc1ccc(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1F ZINC001580030469 1090746753 /nfs/dbraw/zinc/74/67/53/1090746753.db2.gz JPPWDBVHIRMEBS-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM COc1ccc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1F ZINC001580030469 1090746758 /nfs/dbraw/zinc/74/67/58/1090746758.db2.gz JPPWDBVHIRMEBS-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM C[C@H](OC(=O)c1ccsc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC001580443947 1090902672 /nfs/dbraw/zinc/90/26/72/1090902672.db2.gz QJLBTVLHJUFNHZ-QMMMGPOBSA-N -1 1 345.340 2.754 20 5 EFBDMM C[C@H](OC(=O)c1ccsc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC001580443947 1090902675 /nfs/dbraw/zinc/90/26/75/1090902675.db2.gz QJLBTVLHJUFNHZ-QMMMGPOBSA-N -1 1 345.340 2.754 20 5 EFBDMM Cc1ccc(CN(C)c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])s1 ZINC001581194526 1091089179 /nfs/dbraw/zinc/08/91/79/1091089179.db2.gz HSNHSXIJZYISAC-UHFFFAOYSA-N -1 1 330.373 2.781 20 5 EFBDMM Cc1ccc(CN(C)c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])s1 ZINC001581194526 1091089185 /nfs/dbraw/zinc/08/91/85/1091089185.db2.gz HSNHSXIJZYISAC-UHFFFAOYSA-N -1 1 330.373 2.781 20 5 EFBDMM O=[N+]([O-])c1cc(F)ccc1COc1cccc(F)c1-c1nnn[n-]1 ZINC001582803442 1091668944 /nfs/dbraw/zinc/66/89/44/1091668944.db2.gz HQUUXMIVVJBSGQ-UHFFFAOYSA-N -1 1 333.254 2.632 20 5 EFBDMM O=[N+]([O-])c1cc(F)ccc1COc1cccc(F)c1-c1nn[n-]n1 ZINC001582803442 1091668951 /nfs/dbraw/zinc/66/89/51/1091668951.db2.gz HQUUXMIVVJBSGQ-UHFFFAOYSA-N -1 1 333.254 2.632 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001582804593 1091670118 /nfs/dbraw/zinc/67/01/18/1091670118.db2.gz IDRNKXMMHNFIEU-VHSXEESVSA-N -1 1 346.347 2.944 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001582804593 1091670122 /nfs/dbraw/zinc/67/01/22/1091670122.db2.gz IDRNKXMMHNFIEU-VHSXEESVSA-N -1 1 346.347 2.944 20 5 EFBDMM CC(C)(C)c1cnc(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])o1 ZINC001589233343 1093053981 /nfs/dbraw/zinc/05/39/81/1093053981.db2.gz CNRXGARCRUPVGO-UHFFFAOYSA-N -1 1 343.347 2.673 20 5 EFBDMM CC(C)(C)c1cnc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])o1 ZINC001589233343 1093053990 /nfs/dbraw/zinc/05/39/90/1093053990.db2.gz CNRXGARCRUPVGO-UHFFFAOYSA-N -1 1 343.347 2.673 20 5 EFBDMM CC(C)(CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)CC(F)F ZINC001589293449 1093068148 /nfs/dbraw/zinc/06/81/48/1093068148.db2.gz ZSDUMCNLRLNWMM-UHFFFAOYSA-N -1 1 326.307 2.868 20 5 EFBDMM CC(C)C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCO1 ZINC001589571227 1093108592 /nfs/dbraw/zinc/10/85/92/1093108592.db2.gz GZYNXTCZSGHYQM-OLZOCXBDSA-N -1 1 346.391 2.781 20 5 EFBDMM CC(C)O[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1(C)C ZINC001589738981 1093130846 /nfs/dbraw/zinc/13/08/46/1093130846.db2.gz BDKUFFKTBHNZLZ-ZIAGYGMSSA-N -1 1 346.391 2.779 20 5 EFBDMM C[C@@H](CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])Oc1ccccc1 ZINC001589877213 1093163379 /nfs/dbraw/zinc/16/33/79/1093163379.db2.gz RUBHNKRIPHLBHP-NSHDSACASA-N -1 1 340.343 2.654 20 5 EFBDMM C[C@@H](CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])Oc1ccccc1 ZINC001589877213 1093163382 /nfs/dbraw/zinc/16/33/82/1093163382.db2.gz RUBHNKRIPHLBHP-NSHDSACASA-N -1 1 340.343 2.654 20 5 EFBDMM C[C@]1(C(F)(F)F)CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001590073360 1093252142 /nfs/dbraw/zinc/25/21/42/1093252142.db2.gz LECGDMMRWHGLSO-LBPRGKRZSA-N -1 1 342.281 2.554 20 5 EFBDMM C[C@]1(C(F)(F)F)CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001590073360 1093252148 /nfs/dbraw/zinc/25/21/48/1093252148.db2.gz LECGDMMRWHGLSO-LBPRGKRZSA-N -1 1 342.281 2.554 20 5 EFBDMM CC1(C)C[C@H](Sc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CO1 ZINC001590084330 1093257556 /nfs/dbraw/zinc/25/75/56/1093257556.db2.gz BSUQJQSSGOJMIX-ZETCQYMHSA-N -1 1 339.352 2.574 20 5 EFBDMM C[C@H]1CC[C@@]2(CCN(c3cccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)C1 ZINC001590240205 1093327012 /nfs/dbraw/zinc/32/70/12/1093327012.db2.gz PRVMSMDXXRLFIG-MEDUHNTESA-N -1 1 328.376 2.791 20 5 EFBDMM C[C@H]1CC[C@@]2(CCN(c3cccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)C1 ZINC001590240205 1093327020 /nfs/dbraw/zinc/32/70/20/1093327020.db2.gz PRVMSMDXXRLFIG-MEDUHNTESA-N -1 1 328.376 2.791 20 5 EFBDMM C[C@@H]1CCC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)[C@@H]1C ZINC001590252636 1093340733 /nfs/dbraw/zinc/34/07/33/1093340733.db2.gz LYMGULSWRWAEDX-JRKPZEMJSA-N -1 1 331.380 2.594 20 5 EFBDMM C[C@@H]1CCC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)[C@@H]1C ZINC001590252636 1093340739 /nfs/dbraw/zinc/34/07/39/1093340739.db2.gz LYMGULSWRWAEDX-JRKPZEMJSA-N -1 1 331.380 2.594 20 5 EFBDMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC001590316711 1093373131 /nfs/dbraw/zinc/37/31/31/1093373131.db2.gz UOCHAZKMNJHTMM-DTORHVGOSA-N -1 1 338.318 2.502 20 5 EFBDMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC001590316711 1093373135 /nfs/dbraw/zinc/37/31/35/1093373135.db2.gz UOCHAZKMNJHTMM-DTORHVGOSA-N -1 1 338.318 2.502 20 5 EFBDMM C/C=C/C[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001590355927 1093390601 /nfs/dbraw/zinc/39/06/01/1093390601.db2.gz WPINDFWPXQZAOL-QAVQXKDTSA-N -1 1 328.376 2.958 20 5 EFBDMM C/C=C/C[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001590355927 1093390606 /nfs/dbraw/zinc/39/06/06/1093390606.db2.gz WPINDFWPXQZAOL-QAVQXKDTSA-N -1 1 328.376 2.958 20 5 EFBDMM CC[C@H](C)n1ncc(Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1C ZINC001590418202 1093413049 /nfs/dbraw/zinc/41/30/49/1093413049.db2.gz JBJVAXDYVXZSRR-VIFPVBQESA-N -1 1 342.363 2.994 20 5 EFBDMM CC[C@@H](C)n1ncc(Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1C ZINC001590418200 1093414267 /nfs/dbraw/zinc/41/42/67/1093414267.db2.gz JBJVAXDYVXZSRR-SECBINFHSA-N -1 1 342.363 2.994 20 5 EFBDMM CCC1(CC)CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCS1 ZINC001590494438 1093454320 /nfs/dbraw/zinc/45/43/20/1093454320.db2.gz QILZROCVEUYQFI-UHFFFAOYSA-N -1 1 348.432 2.887 20 5 EFBDMM CCC1(CC)CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCS1 ZINC001590494438 1093454325 /nfs/dbraw/zinc/45/43/25/1093454325.db2.gz QILZROCVEUYQFI-UHFFFAOYSA-N -1 1 348.432 2.887 20 5 EFBDMM CC[C@@H]1CCC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001590507421 1093464018 /nfs/dbraw/zinc/46/40/18/1093464018.db2.gz DQTYSPMJQAZPQK-NXEZZACHSA-N -1 1 331.380 2.738 20 5 EFBDMM CC[C@@H]1CCC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001590507421 1093464022 /nfs/dbraw/zinc/46/40/22/1093464022.db2.gz DQTYSPMJQAZPQK-NXEZZACHSA-N -1 1 331.380 2.738 20 5 EFBDMM CCCC(O)(CCC)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590558515 1093486711 /nfs/dbraw/zinc/48/67/11/1093486711.db2.gz DKEWCDJRCSPKHP-UHFFFAOYSA-N -1 1 334.380 2.518 20 5 EFBDMM CCS[C@@H]1CCCCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001590852891 1093598929 /nfs/dbraw/zinc/59/89/29/1093598929.db2.gz RPWWGJPROSAYOG-LLVKDONJSA-N -1 1 348.432 2.887 20 5 EFBDMM CCS[C@@H]1CCCCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001590852891 1093598932 /nfs/dbraw/zinc/59/89/32/1093598932.db2.gz RPWWGJPROSAYOG-LLVKDONJSA-N -1 1 348.432 2.887 20 5 EFBDMM CCc1noc(C)c1CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590934669 1093635635 /nfs/dbraw/zinc/63/56/35/1093635635.db2.gz QXAZWMDPAGNMLW-UHFFFAOYSA-N -1 1 343.347 2.554 20 5 EFBDMM CCc1noc(C)c1CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590934669 1093635639 /nfs/dbraw/zinc/63/56/39/1093635639.db2.gz QXAZWMDPAGNMLW-UHFFFAOYSA-N -1 1 343.347 2.554 20 5 EFBDMM CN(CCCc1ccccc1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591086517 1093660889 /nfs/dbraw/zinc/66/08/89/1093660889.db2.gz KYUPEDKFYSOSDB-UHFFFAOYSA-N -1 1 338.371 2.844 20 5 EFBDMM CN(CCc1ccc(F)cc1)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591120558 1093662492 /nfs/dbraw/zinc/66/24/92/1093662492.db2.gz XKCVTEZNYMIJCP-UHFFFAOYSA-N -1 1 342.334 2.593 20 5 EFBDMM CN(CCc1ccc(F)cc1)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591120558 1093662495 /nfs/dbraw/zinc/66/24/95/1093662495.db2.gz XKCVTEZNYMIJCP-UHFFFAOYSA-N -1 1 342.334 2.593 20 5 EFBDMM CO[C@H](CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])C1CCCCC1 ZINC001591328609 1093693161 /nfs/dbraw/zinc/69/31/61/1093693161.db2.gz GJJUCUZUTKAWTI-CQSZACIVSA-N -1 1 346.391 2.782 20 5 EFBDMM CO[C@H](CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])C1CCCCC1 ZINC001591328609 1093693164 /nfs/dbraw/zinc/69/31/64/1093693164.db2.gz GJJUCUZUTKAWTI-CQSZACIVSA-N -1 1 346.391 2.782 20 5 EFBDMM CO[C@@H](CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])C1CCCCC1 ZINC001591328608 1093693171 /nfs/dbraw/zinc/69/31/71/1093693171.db2.gz GJJUCUZUTKAWTI-AWEZNQCLSA-N -1 1 346.391 2.782 20 5 EFBDMM CO[C@@H](CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])C1CCCCC1 ZINC001591328608 1093693172 /nfs/dbraw/zinc/69/31/72/1093693172.db2.gz GJJUCUZUTKAWTI-AWEZNQCLSA-N -1 1 346.391 2.782 20 5 EFBDMM COc1ccc(Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])c(OC)c1 ZINC001591617649 1093799467 /nfs/dbraw/zinc/79/94/67/1093799467.db2.gz QWQBSCRZLGVYNA-UHFFFAOYSA-N -1 1 348.344 2.597 20 5 EFBDMM COc1ccc(Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])c(OC)c1 ZINC001591617649 1093799477 /nfs/dbraw/zinc/79/94/77/1093799477.db2.gz QWQBSCRZLGVYNA-UHFFFAOYSA-N -1 1 348.344 2.597 20 5 EFBDMM CS[C@@H]1CC[C@H](Nc2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001591689726 1093826145 /nfs/dbraw/zinc/82/61/45/1093826145.db2.gz HNIPMYZABPZXFM-GXSJLCMTSA-N -1 1 334.405 2.779 20 5 EFBDMM CS[C@@H]1CC[C@H](Nc2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001591689726 1093826151 /nfs/dbraw/zinc/82/61/51/1093826151.db2.gz HNIPMYZABPZXFM-GXSJLCMTSA-N -1 1 334.405 2.779 20 5 EFBDMM Cc1c(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cnn1CC(C)C ZINC001591828391 1093876257 /nfs/dbraw/zinc/87/62/57/1093876257.db2.gz IGALXZPGCPDZRT-UHFFFAOYSA-N -1 1 342.363 2.679 20 5 EFBDMM Cc1c(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cnn1CC(C)C ZINC001591828391 1093876264 /nfs/dbraw/zinc/87/62/64/1093876264.db2.gz IGALXZPGCPDZRT-UHFFFAOYSA-N -1 1 342.363 2.679 20 5 EFBDMM Cc1cc(N2CCC(C(F)F)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591999024 1093952049 /nfs/dbraw/zinc/95/20/49/1093952049.db2.gz BLQWHGJSZFQKRW-UHFFFAOYSA-N -1 1 338.318 2.565 20 5 EFBDMM Cc1cc(N2CCC(C(F)F)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591999024 1093952051 /nfs/dbraw/zinc/95/20/51/1093952051.db2.gz BLQWHGJSZFQKRW-UHFFFAOYSA-N -1 1 338.318 2.565 20 5 EFBDMM Cc1cc(NC[C@@H]2CC2(Cl)Cl)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592043478 1093965954 /nfs/dbraw/zinc/96/59/54/1093965954.db2.gz GYXHRYUIYNNFHU-ZETCQYMHSA-N -1 1 343.174 2.689 20 5 EFBDMM Cc1cc(NC[C@@H]2CC2(Cl)Cl)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592043478 1093965957 /nfs/dbraw/zinc/96/59/57/1093965957.db2.gz GYXHRYUIYNNFHU-ZETCQYMHSA-N -1 1 343.174 2.689 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1Oc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592197188 1094025066 /nfs/dbraw/zinc/02/50/66/1094025066.db2.gz FLBYZSVYAKNKII-UHFFFAOYSA-N -1 1 342.271 2.784 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1Oc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592197188 1094025070 /nfs/dbraw/zinc/02/50/70/1094025070.db2.gz FLBYZSVYAKNKII-UHFFFAOYSA-N -1 1 342.271 2.784 20 5 EFBDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC001592198000 1094025915 /nfs/dbraw/zinc/02/59/15/1094025915.db2.gz RVJLTDOLELNVQN-UHFFFAOYSA-N -1 1 342.315 2.545 20 5 EFBDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC001592198000 1094025921 /nfs/dbraw/zinc/02/59/21/1094025921.db2.gz RVJLTDOLELNVQN-UHFFFAOYSA-N -1 1 342.315 2.545 20 5 EFBDMM Cc1ccc2c(c1)CN(c1cc(-c3nnn[n-]3)sc1[N+](=O)[O-])CC2 ZINC001592204495 1094028993 /nfs/dbraw/zinc/02/89/93/1094028993.db2.gz YQEUCKNTFBEMQH-UHFFFAOYSA-N -1 1 342.384 2.708 20 5 EFBDMM Cc1ccc2c(c1)CN(c1cc(-c3nn[n-]n3)sc1[N+](=O)[O-])CC2 ZINC001592204495 1094028996 /nfs/dbraw/zinc/02/89/96/1094028996.db2.gz YQEUCKNTFBEMQH-UHFFFAOYSA-N -1 1 342.384 2.708 20 5 EFBDMM Cc1ccc2c(ccc(C)c2Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)c1 ZINC001592206001 1094030804 /nfs/dbraw/zinc/03/08/04/1094030804.db2.gz WTCGMMKYCOSBKR-UHFFFAOYSA-N -1 1 349.354 2.790 20 5 EFBDMM Cc1cccc(F)c1CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001592232802 1094041551 /nfs/dbraw/zinc/04/15/51/1094041551.db2.gz LCTKDLKRFMPVKQ-UHFFFAOYSA-N -1 1 328.307 2.835 20 5 EFBDMM Cc1csc([C@@H](C)CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)n1 ZINC001592314218 1094074989 /nfs/dbraw/zinc/07/49/89/1094074989.db2.gz IJKXANKTOZXVMG-QMMMGPOBSA-N -1 1 345.388 2.755 20 5 EFBDMM Cc1csc([C@@H](C)CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)n1 ZINC001592314218 1094074996 /nfs/dbraw/zinc/07/49/96/1094074996.db2.gz IJKXANKTOZXVMG-QMMMGPOBSA-N -1 1 345.388 2.755 20 5 EFBDMM Cc1nc(C(C)C)oc1CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592354911 1094086480 /nfs/dbraw/zinc/08/64/80/1094086480.db2.gz VBIHKQLGGWDISU-UHFFFAOYSA-N -1 1 343.347 2.807 20 5 EFBDMM Cc1nc(C(C)C)oc1CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592354911 1094086487 /nfs/dbraw/zinc/08/64/87/1094086487.db2.gz VBIHKQLGGWDISU-UHFFFAOYSA-N -1 1 343.347 2.807 20 5 EFBDMM Cc1nsc(NC[C@@H](C)c2ccccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC001592486551 1094111031 /nfs/dbraw/zinc/11/10/31/1094111031.db2.gz LNZKCHZKJMHKEV-MRVPVSSYSA-N -1 1 345.388 2.755 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(C(F)F)cc1 ZINC001593465746 1094309029 /nfs/dbraw/zinc/30/90/29/1094309029.db2.gz YSCOPLQWDVAZBY-UHFFFAOYSA-N -1 1 347.285 2.720 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(C(F)F)cc1 ZINC001593465746 1094309034 /nfs/dbraw/zinc/30/90/34/1094309034.db2.gz YSCOPLQWDVAZBY-UHFFFAOYSA-N -1 1 347.285 2.720 20 5 EFBDMM O=[N+]([O-])c1c(NCCCc2ccsc2)cccc1-c1nnn[n-]1 ZINC001593466086 1094309997 /nfs/dbraw/zinc/30/99/97/1094309997.db2.gz WQTYMVBMAKPGGL-UHFFFAOYSA-N -1 1 330.373 2.881 20 5 EFBDMM O=[N+]([O-])c1c(NCCCc2ccsc2)cccc1-c1nn[n-]n1 ZINC001593466086 1094310000 /nfs/dbraw/zinc/31/00/00/1094310000.db2.gz WQTYMVBMAKPGGL-UHFFFAOYSA-N -1 1 330.373 2.881 20 5 EFBDMM O=[N+]([O-])c1c(Oc2ccc(-n3cccn3)cc2)cccc1-c1nnn[n-]1 ZINC001593469351 1094310857 /nfs/dbraw/zinc/31/08/57/1094310857.db2.gz OMUBJDLPRNGFKN-UHFFFAOYSA-N -1 1 349.310 2.753 20 5 EFBDMM O=[N+]([O-])c1c(Oc2ccc(-n3cccn3)cc2)cccc1-c1nn[n-]n1 ZINC001593469351 1094310873 /nfs/dbraw/zinc/31/08/73/1094310873.db2.gz OMUBJDLPRNGFKN-UHFFFAOYSA-N -1 1 349.310 2.753 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1Oc1cc(F)cc(F)c1 ZINC001593468112 1094312411 /nfs/dbraw/zinc/31/24/11/1094312411.db2.gz ZIECILRXRZXEBD-UHFFFAOYSA-N -1 1 337.217 2.985 20 5 EFBDMM O=[N+]([O-])c1cc(N2CC[C@@H](CC(F)(F)F)C2)ccc1-c1nn[n-]n1 ZINC001593470215 1094313906 /nfs/dbraw/zinc/31/39/06/1094313906.db2.gz BBPDCVGHZHQHTO-QMMMGPOBSA-N -1 1 342.281 2.554 20 5 EFBDMM O=[N+]([O-])c1c(Oc2cnc(Cl)c(F)c2)cccc1-c1nnn[n-]1 ZINC001593469565 1094314199 /nfs/dbraw/zinc/31/41/99/1094314199.db2.gz WJVPXXGPFKVTBD-UHFFFAOYSA-N -1 1 336.670 2.755 20 5 EFBDMM O=[N+]([O-])c1c(Oc2cnc(Cl)c(F)c2)cccc1-c1nn[n-]n1 ZINC001593469565 1094314209 /nfs/dbraw/zinc/31/42/09/1094314209.db2.gz WJVPXXGPFKVTBD-UHFFFAOYSA-N -1 1 336.670 2.755 20 5 EFBDMM O=[N+]([O-])c1cc(N2CCC(C3CCC3)CC2)ccc1-c1nn[n-]n1 ZINC001593471633 1094315822 /nfs/dbraw/zinc/31/58/22/1094315822.db2.gz QCEGGBIJMVPNAH-UHFFFAOYSA-N -1 1 328.376 2.791 20 5 EFBDMM O=[N+]([O-])c1cc(N2CCC[C@@H]2c2ccccn2)ccc1-c1nn[n-]n1 ZINC001593470729 1094315980 /nfs/dbraw/zinc/31/59/80/1094315980.db2.gz IEBGZVZVRZVGPE-CQSZACIVSA-N -1 1 337.343 2.511 20 5 EFBDMM O=[N+]([O-])c1ccc(-c2noc(-c3ccc(-c4nnn[n-]4)s3)n2)s1 ZINC001593474704 1094317400 /nfs/dbraw/zinc/31/74/00/1094317400.db2.gz GPLYJXXPVVJCCE-UHFFFAOYSA-N -1 1 347.341 2.615 20 5 EFBDMM O=[N+]([O-])c1ccc(-c2noc(-c3ccc(-c4nn[n-]n4)s3)n2)s1 ZINC001593474704 1094317404 /nfs/dbraw/zinc/31/74/04/1094317404.db2.gz GPLYJXXPVVJCCE-UHFFFAOYSA-N -1 1 347.341 2.615 20 5 EFBDMM O=[N+]([O-])c1cc(N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)ccc1-c1nn[n-]n1 ZINC001593473676 1094318660 /nfs/dbraw/zinc/31/86/60/1094318660.db2.gz JHXWJPFZYRRCJC-HYVNUMGLSA-N -1 1 348.366 2.915 20 5 EFBDMM O=[N+]([O-])c1cc(NCc2ccc(F)c(F)c2)ccc1-c1nn[n-]n1 ZINC001593475057 1094319722 /nfs/dbraw/zinc/31/97/22/1094319722.db2.gz XXFVTIWRINAIDL-UHFFFAOYSA-N -1 1 332.270 2.665 20 5 EFBDMM O=[N+]([O-])c1ccc(CCCCNc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001593475870 1094319958 /nfs/dbraw/zinc/31/99/58/1094319958.db2.gz RPDPAYHLOFPHHG-UHFFFAOYSA-N -1 1 339.359 2.605 20 5 EFBDMM O=[N+]([O-])c1ccc(CCCCNc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001593475870 1094319963 /nfs/dbraw/zinc/31/99/63/1094319963.db2.gz RPDPAYHLOFPHHG-UHFFFAOYSA-N -1 1 339.359 2.605 20 5 EFBDMM O=[N+]([O-])c1ccc(CSCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001593475876 1094320616 /nfs/dbraw/zinc/32/06/16/1094320616.db2.gz RSFWGBHNIZGDJQ-UHFFFAOYSA-N -1 1 334.386 2.665 20 5 EFBDMM O=[N+]([O-])c1ccc(CSCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001593475876 1094320625 /nfs/dbraw/zinc/32/06/25/1094320625.db2.gz RSFWGBHNIZGDJQ-UHFFFAOYSA-N -1 1 334.386 2.665 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@H]2C[C@H]2Cc2ccccc2)cc1-c1nnn[n-]1 ZINC001593478081 1094324037 /nfs/dbraw/zinc/32/40/37/1094324037.db2.gz AOOMKAGEJZYTKO-DOMZBBRYSA-N -1 1 336.355 2.818 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@H]2C[C@H]2Cc2ccccc2)cc1-c1nn[n-]n1 ZINC001593478081 1094324047 /nfs/dbraw/zinc/32/40/47/1094324047.db2.gz AOOMKAGEJZYTKO-DOMZBBRYSA-N -1 1 336.355 2.818 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@@H]1C[C@H]1c1ccccc1 ZINC001593488897 1094329134 /nfs/dbraw/zinc/32/91/34/1094329134.db2.gz OGRZKPRCZOXQPF-VHSXEESVSA-N -1 1 328.357 2.804 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@@H]1C[C@H]1c1ccccc1 ZINC001593488897 1094329143 /nfs/dbraw/zinc/32/91/43/1094329143.db2.gz OGRZKPRCZOXQPF-VHSXEESVSA-N -1 1 328.357 2.804 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCC=C(c2ccco2)C1 ZINC001593488373 1094329411 /nfs/dbraw/zinc/32/94/11/1094329411.db2.gz WBXKOOWPZFXLDI-UHFFFAOYSA-N -1 1 344.356 2.723 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCC=C(c2ccco2)C1 ZINC001593488373 1094329418 /nfs/dbraw/zinc/32/94/18/1094329418.db2.gz WBXKOOWPZFXLDI-UHFFFAOYSA-N -1 1 344.356 2.723 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1Oc1cc(F)ccc1F ZINC001593488540 1094329538 /nfs/dbraw/zinc/32/95/38/1094329538.db2.gz MABUUBTUICUFIB-UHFFFAOYSA-N -1 1 325.256 2.907 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1Oc1cc(F)ccc1F ZINC001593488540 1094329541 /nfs/dbraw/zinc/32/95/41/1094329541.db2.gz MABUUBTUICUFIB-UHFFFAOYSA-N -1 1 325.256 2.907 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC=CC12CCCCC2 ZINC001593487633 1094330726 /nfs/dbraw/zinc/33/07/26/1094330726.db2.gz KGLVGJKCZLZYDR-UHFFFAOYSA-N -1 1 332.389 2.916 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC=CC12CCCCC2 ZINC001593487633 1094330733 /nfs/dbraw/zinc/33/07/33/1094330733.db2.gz KGLVGJKCZLZYDR-UHFFFAOYSA-N -1 1 332.389 2.916 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@@H]1C[C@]1(F)c1ccccc1 ZINC001593489244 1094331791 /nfs/dbraw/zinc/33/17/91/1094331791.db2.gz XPGAKBYDDDHGNU-RISCZKNCSA-N -1 1 346.347 2.886 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@@H]1C[C@]1(F)c1ccccc1 ZINC001593489244 1094331797 /nfs/dbraw/zinc/33/17/97/1094331797.db2.gz XPGAKBYDDDHGNU-RISCZKNCSA-N -1 1 346.347 2.886 20 5 EFBDMM Cc1cc(N2CC[N@H+](C)[C@H](C(C)(C)C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600240210 1094910343 /nfs/dbraw/zinc/91/03/43/1094910343.db2.gz HWZWDUBQCFWEPP-HNNXBMFYSA-N -1 1 335.404 2.768 20 5 EFBDMM Cc1cc2[nH]ncc2cc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001600306591 1094957496 /nfs/dbraw/zinc/95/74/96/1094957496.db2.gz HWLVNQXFZYZRNJ-UHFFFAOYSA-N -1 1 340.295 2.730 20 5 EFBDMM O=C([O-])CC1(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC001601937186 1095983747 /nfs/dbraw/zinc/98/37/47/1095983747.db2.gz JSRSCVHSHKSNIZ-UHFFFAOYSA-N -1 1 333.369 2.815 20 5 EFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(Nc2cnn(-c3ccncc3)c2)c1 ZINC001602407285 1096227210 /nfs/dbraw/zinc/22/72/10/1096227210.db2.gz CUPIKESVBVXORJ-UHFFFAOYSA-N -1 1 325.284 2.617 20 5 EFBDMM CC(=O)Nc1ccc(Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cc1 ZINC001602953159 1096406343 /nfs/dbraw/zinc/40/63/43/1096406343.db2.gz WDYUTIOCYPMYAV-UHFFFAOYSA-N -1 1 345.344 2.538 20 5 EFBDMM CC(=O)Nc1ccc(Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cc1 ZINC001602953159 1096406345 /nfs/dbraw/zinc/40/63/45/1096406345.db2.gz WDYUTIOCYPMYAV-UHFFFAOYSA-N -1 1 345.344 2.538 20 5 EFBDMM CC(C)(C)O[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001603104619 1096443652 /nfs/dbraw/zinc/44/36/52/1096443652.db2.gz QEIPFBVEYMXYQX-ZKCHVHJHSA-N -1 1 338.393 2.594 20 5 EFBDMM CC(C)(C)O[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001603104619 1096443653 /nfs/dbraw/zinc/44/36/53/1096443653.db2.gz QEIPFBVEYMXYQX-ZKCHVHJHSA-N -1 1 338.393 2.594 20 5 EFBDMM CC(C)[C@@H]1OCCC[C@H]1CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603253907 1096486926 /nfs/dbraw/zinc/48/69/26/1096486926.db2.gz RJGLYJDFFAMRKB-NHYWBVRUSA-N -1 1 346.391 2.638 20 5 EFBDMM CC(C)CSCCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001603304400 1096500904 /nfs/dbraw/zinc/50/09/04/1096500904.db2.gz VMOQVPHGVYHVBM-UHFFFAOYSA-N -1 1 328.423 2.638 20 5 EFBDMM CC(C)CSCCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001603304400 1096500910 /nfs/dbraw/zinc/50/09/10/1096500910.db2.gz VMOQVPHGVYHVBM-UHFFFAOYSA-N -1 1 328.423 2.638 20 5 EFBDMM CC(C)(C)C1=CCN(CCNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001603314026 1096502580 /nfs/dbraw/zinc/50/25/80/1096502580.db2.gz XYKNXJKBYQFIBA-UHFFFAOYSA-N -1 1 348.403 2.778 20 5 EFBDMM C[C@H](CCc1ccco1)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603502413 1096539842 /nfs/dbraw/zinc/53/98/42/1096539842.db2.gz DDGDSMNOCSTAMY-SNVBAGLBSA-N -1 1 328.332 2.801 20 5 EFBDMM C[C@H](CCc1ccco1)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603502413 1096539846 /nfs/dbraw/zinc/53/98/46/1096539846.db2.gz DDGDSMNOCSTAMY-SNVBAGLBSA-N -1 1 328.332 2.801 20 5 EFBDMM C[C@@H](COc1ccccc1)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603570901 1096556110 /nfs/dbraw/zinc/55/61/10/1096556110.db2.gz JIKRZZRFNQDFKZ-NSHDSACASA-N -1 1 340.343 2.654 20 5 EFBDMM C[C@@H](COc1ccccc1)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603570901 1096556116 /nfs/dbraw/zinc/55/61/16/1096556116.db2.gz JIKRZZRFNQDFKZ-NSHDSACASA-N -1 1 340.343 2.654 20 5 EFBDMM CC1(C)CCC[C@@H](CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)O1 ZINC001603773772 1096622823 /nfs/dbraw/zinc/62/28/23/1096622823.db2.gz HVQATKLGCZXMPW-NSHDSACASA-N -1 1 332.364 2.535 20 5 EFBDMM CC1(C)CCC[C@@H](CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)O1 ZINC001603773772 1096622825 /nfs/dbraw/zinc/62/28/25/1096622825.db2.gz HVQATKLGCZXMPW-NSHDSACASA-N -1 1 332.364 2.535 20 5 EFBDMM CC1(CC(F)(F)F)CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001603797933 1096630074 /nfs/dbraw/zinc/63/00/74/1096630074.db2.gz FTHSHAHCCZZLDC-UHFFFAOYSA-N -1 1 342.281 2.554 20 5 EFBDMM CC1(CC(F)(F)F)CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001603797933 1096630076 /nfs/dbraw/zinc/63/00/76/1096630076.db2.gz FTHSHAHCCZZLDC-UHFFFAOYSA-N -1 1 342.281 2.554 20 5 EFBDMM C[C@]1(CCNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@]1(F)Cl ZINC001603800453 1096632051 /nfs/dbraw/zinc/63/20/51/1096632051.db2.gz NWKMYGYRWMNKIZ-QWHCGFSZSA-N -1 1 340.746 2.892 20 5 EFBDMM C[C@]1(CCNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@]1(F)Cl ZINC001603800453 1096632054 /nfs/dbraw/zinc/63/20/54/1096632054.db2.gz NWKMYGYRWMNKIZ-QWHCGFSZSA-N -1 1 340.746 2.892 20 5 EFBDMM C[C@@]1(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1(Cl)Cl ZINC001603805821 1096632970 /nfs/dbraw/zinc/63/29/70/1096632970.db2.gz CXYDYUUZZDMPEP-NSHDSACASA-N -1 1 343.174 2.771 20 5 EFBDMM C[C@@H]1CCCC[C@H]1CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603890404 1096660480 /nfs/dbraw/zinc/66/04/80/1096660480.db2.gz CCGGSAMVHSUVIM-ZJUUUORDSA-N -1 1 331.380 2.595 20 5 EFBDMM C[C@@H]1CCCC[C@H]1CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603890404 1096660483 /nfs/dbraw/zinc/66/04/83/1096660483.db2.gz CCGGSAMVHSUVIM-ZJUUUORDSA-N -1 1 331.380 2.595 20 5 EFBDMM C[C@H]1CCCC[C@@H]1OCCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001603890932 1096660757 /nfs/dbraw/zinc/66/07/57/1096660757.db2.gz OSQPVNCFXNDIQJ-FZMZJTMJSA-N -1 1 346.391 2.782 20 5 EFBDMM C[C@H]1CCCC[C@@H]1OCCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001603890932 1096660759 /nfs/dbraw/zinc/66/07/59/1096660759.db2.gz OSQPVNCFXNDIQJ-FZMZJTMJSA-N -1 1 346.391 2.782 20 5 EFBDMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]21 ZINC001603938626 1096675816 /nfs/dbraw/zinc/67/58/16/1096675816.db2.gz GAWHQBCNPTUXLN-MPKXVKKWSA-N -1 1 328.376 2.790 20 5 EFBDMM CCc1nc(Oc2ccc([N+](=O)[O-])c(Cl)c2)cc(-c2nnn[n-]2)n1 ZINC001604570314 1096905457 /nfs/dbraw/zinc/90/54/57/1096905457.db2.gz BBXAJNNGDZCOBZ-UHFFFAOYSA-N -1 1 347.722 2.573 20 5 EFBDMM CCc1nc(Oc2ccc([N+](=O)[O-])c(Cl)c2)cc(-c2nn[n-]n2)n1 ZINC001604570314 1096905462 /nfs/dbraw/zinc/90/54/62/1096905462.db2.gz BBXAJNNGDZCOBZ-UHFFFAOYSA-N -1 1 347.722 2.573 20 5 EFBDMM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC001604637448 1096919118 /nfs/dbraw/zinc/91/91/18/1096919118.db2.gz SOIZJLMJVHGYON-KCJUWKMLSA-N -1 1 343.177 2.652 20 5 EFBDMM COCCC1(CNc2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCC1 ZINC001605081202 1097017999 /nfs/dbraw/zinc/01/79/99/1097017999.db2.gz XOZREAZOQGNTQS-UHFFFAOYSA-N -1 1 346.391 2.702 20 5 EFBDMM COCCC1(CNc2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCC1 ZINC001605081202 1097018005 /nfs/dbraw/zinc/01/80/05/1097018005.db2.gz XOZREAZOQGNTQS-UHFFFAOYSA-N -1 1 346.391 2.702 20 5 EFBDMM CS[C@H]1CCC[C@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001605370757 1097106888 /nfs/dbraw/zinc/10/68/88/1097106888.db2.gz GUSHBHNARFKDPB-YUMQZZPRSA-N -1 1 340.434 2.923 20 5 EFBDMM CS[C@H]1CCC[C@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001605370757 1097106890 /nfs/dbraw/zinc/10/68/90/1097106890.db2.gz GUSHBHNARFKDPB-YUMQZZPRSA-N -1 1 340.434 2.923 20 5 EFBDMM CSC1(CNc2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCC1 ZINC001605370116 1097107483 /nfs/dbraw/zinc/10/74/83/1097107483.db2.gz DIRZYGWGZYZUCD-UHFFFAOYSA-N -1 1 334.405 2.781 20 5 EFBDMM CSC1(CNc2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCC1 ZINC001605370116 1097107486 /nfs/dbraw/zinc/10/74/86/1097107486.db2.gz DIRZYGWGZYZUCD-UHFFFAOYSA-N -1 1 334.405 2.781 20 5 EFBDMM CCOc1cc(CN[C@@H](C(=O)[O-])c2cccc(O)c2)ccc1[N+](=O)[O-] ZINC001605670724 1097187669 /nfs/dbraw/zinc/18/76/69/1097187669.db2.gz ARTBCLCIKQLQMP-MRXNPFEDSA-N -1 1 346.339 2.615 20 5 EFBDMM Cc1cc(N2CCSC(C)(C)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605698212 1097198231 /nfs/dbraw/zinc/19/82/31/1097198231.db2.gz NUPBOGDIJBPGBY-UHFFFAOYSA-N -1 1 348.432 2.805 20 5 EFBDMM Cc1cc(N2CCSC(C)(C)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605698212 1097198233 /nfs/dbraw/zinc/19/82/33/1097198233.db2.gz NUPBOGDIJBPGBY-UHFFFAOYSA-N -1 1 348.432 2.805 20 5 EFBDMM Cc1cc(NCC[C@@H]2CCO[C@H](C)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605731291 1097209038 /nfs/dbraw/zinc/20/90/38/1097209038.db2.gz VDNGZWHKSRTEJH-VXGBXAGGSA-N -1 1 346.391 2.700 20 5 EFBDMM Cc1cc(NCC[C@@H]2CCO[C@H](C)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605731291 1097209044 /nfs/dbraw/zinc/20/90/44/1097209044.db2.gz VDNGZWHKSRTEJH-VXGBXAGGSA-N -1 1 346.391 2.700 20 5 EFBDMM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001605793932 1097226930 /nfs/dbraw/zinc/22/69/30/1097226930.db2.gz JQJTUMFSPDZOBN-UHFFFAOYSA-N -1 1 330.296 2.813 20 5 EFBDMM Cc1ccc(CN(C)c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)s1 ZINC001605846206 1097249738 /nfs/dbraw/zinc/24/97/38/1097249738.db2.gz BVZJAQKSHNAAPE-UHFFFAOYSA-N -1 1 330.373 2.781 20 5 EFBDMM Cc1ccc2c(c1)CCN(c1cccc(-c3nnn[n-]3)c1[N+](=O)[O-])C2 ZINC001605888669 1097266014 /nfs/dbraw/zinc/26/60/14/1097266014.db2.gz MXPLXUHTQWGQBF-UHFFFAOYSA-N -1 1 336.355 2.646 20 5 EFBDMM Cc1ccc2c(c1)CCN(c1cccc(-c3nn[n-]n3)c1[N+](=O)[O-])C2 ZINC001605888669 1097266016 /nfs/dbraw/zinc/26/60/16/1097266016.db2.gz MXPLXUHTQWGQBF-UHFFFAOYSA-N -1 1 336.355 2.646 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC2(CCCC2)CC1 ZINC001607077099 1097505236 /nfs/dbraw/zinc/50/52/36/1097505236.db2.gz KOYMBEHHPKGAHW-UHFFFAOYSA-N -1 1 328.376 2.936 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC2(CCCC2)CC1 ZINC001607077099 1097505240 /nfs/dbraw/zinc/50/52/40/1097505240.db2.gz KOYMBEHHPKGAHW-UHFFFAOYSA-N -1 1 328.376 2.936 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1Sc1ccc(O)cc1 ZINC001607077693 1097505533 /nfs/dbraw/zinc/50/55/33/1097505533.db2.gz QMMKSYQOEUTQPN-UHFFFAOYSA-N -1 1 333.304 2.771 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(NCc2ccc(-c3nn[n-]n3)s2)c(F)c1 ZINC001607079030 1097506190 /nfs/dbraw/zinc/50/61/90/1097506190.db2.gz VDLQHDGFMNQPIC-UHFFFAOYSA-N -1 1 338.299 2.727 20 5 EFBDMM O=[N+]([O-])c1c(Oc2ccc3nccnc3c2)cccc1-c1nnn[n-]1 ZINC001607077834 1097506521 /nfs/dbraw/zinc/50/65/21/1097506521.db2.gz GGULZHOMZDZENW-UHFFFAOYSA-N -1 1 335.283 2.510 20 5 EFBDMM O=[N+]([O-])c1c(Oc2ccc3nccnc3c2)cccc1-c1nn[n-]n1 ZINC001607077834 1097506525 /nfs/dbraw/zinc/50/65/25/1097506525.db2.gz GGULZHOMZDZENW-UHFFFAOYSA-N -1 1 335.283 2.510 20 5 EFBDMM O=[N+]([O-])c1cc(N[C@@H]2CCCC23CCOCC3)ccc1-c1nn[n-]n1 ZINC001607079337 1097506666 /nfs/dbraw/zinc/50/66/66/1097506666.db2.gz GJPYKFSUASAOFN-CQSZACIVSA-N -1 1 344.375 2.536 20 5 EFBDMM O=[N+]([O-])c1cc(N2CC[C@@H]3CCCC[C@@H]3C2)ccc1-c1nn[n-]n1 ZINC001607078771 1097507150 /nfs/dbraw/zinc/50/71/50/1097507150.db2.gz LIWWRQZZNNLXEJ-NWDGAFQWSA-N -1 1 328.376 2.791 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCc2ccc(F)cc2F)cc1-c1nnn[n-]1 ZINC001607083031 1097509420 /nfs/dbraw/zinc/50/94/20/1097509420.db2.gz ZNVDXCKJTKJBAV-UHFFFAOYSA-N -1 1 346.297 2.708 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCc2ccc(F)cc2F)cc1-c1nn[n-]n1 ZINC001607083031 1097509424 /nfs/dbraw/zinc/50/94/24/1097509424.db2.gz ZNVDXCKJTKJBAV-UHFFFAOYSA-N -1 1 346.297 2.708 20 5 EFBDMM O=[N+]([O-])c1ccc(Oc2cnc(-c3nnn[n-]3)cn2)c2ccccc21 ZINC001607083780 1097509664 /nfs/dbraw/zinc/50/96/64/1097509664.db2.gz PYMQMSYEBNJDHL-UHFFFAOYSA-N -1 1 335.283 2.510 20 5 EFBDMM O=[N+]([O-])c1ccc(Oc2cnc(-c3nn[n-]n3)cn2)c2ccccc21 ZINC001607083780 1097509670 /nfs/dbraw/zinc/50/96/70/1097509670.db2.gz PYMQMSYEBNJDHL-UHFFFAOYSA-N -1 1 335.283 2.510 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@@H]1C[C@H]1c1ccccc1F ZINC001607088726 1097511062 /nfs/dbraw/zinc/51/10/62/1097511062.db2.gz VUIKNLGPIBSFBR-WCBMZHEXSA-N -1 1 346.347 2.944 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@@H]1C[C@H]1c1ccccc1F ZINC001607088726 1097511067 /nfs/dbraw/zinc/51/10/67/1097511067.db2.gz VUIKNLGPIBSFBR-WCBMZHEXSA-N -1 1 346.347 2.944 20 5 EFBDMM C[C@H](NCC(=O)Nc1ccccc1C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001607460659 1097632895 /nfs/dbraw/zinc/63/28/95/1097632895.db2.gz AIFKDFYPNHSRMG-NSHDSACASA-N -1 1 343.339 2.582 20 5 EFBDMM O=C([O-])c1ccc(-c2ccc([C@@H]3COCCN3)cc2)c([N+](=O)[O-])c1 ZINC001608868245 1098049592 /nfs/dbraw/zinc/04/95/92/1098049592.db2.gz DUFJEZBILJMKJN-HNNXBMFYSA-N -1 1 328.324 2.621 20 5 EFBDMM CC(C)[C@H]1CCC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001609091265 1098140530 /nfs/dbraw/zinc/14/05/30/1098140530.db2.gz MTNQFNYVTOXXEE-WDEREUQCSA-N -1 1 345.407 2.984 20 5 EFBDMM CC(C)[C@H]1CCC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001609091265 1098140534 /nfs/dbraw/zinc/14/05/34/1098140534.db2.gz MTNQFNYVTOXXEE-WDEREUQCSA-N -1 1 345.407 2.984 20 5 EFBDMM CC(C)C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCO1 ZINC001609093842 1098141524 /nfs/dbraw/zinc/14/15/24/1098141524.db2.gz SZMYRVQSQFKZQQ-OLZOCXBDSA-N -1 1 346.391 2.781 20 5 EFBDMM CC(C)C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCO1 ZINC001609093842 1098141527 /nfs/dbraw/zinc/14/15/27/1098141527.db2.gz SZMYRVQSQFKZQQ-OLZOCXBDSA-N -1 1 346.391 2.781 20 5 EFBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)[C@@H]2CCCC[C@@H]21 ZINC001609175545 1098182981 /nfs/dbraw/zinc/18/29/81/1098182981.db2.gz TUMWRRPJDKWANH-MPKXVKKWSA-N -1 1 328.376 2.790 20 5 EFBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)[C@@H]2CCCC[C@@H]21 ZINC001609175545 1098182984 /nfs/dbraw/zinc/18/29/84/1098182984.db2.gz TUMWRRPJDKWANH-MPKXVKKWSA-N -1 1 328.376 2.790 20 5 EFBDMM CCS[C@@H]1CCCCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001609248732 1098220762 /nfs/dbraw/zinc/22/07/62/1098220762.db2.gz QYZTZTIOAKAZGB-GFCCVEGCSA-N -1 1 348.432 2.887 20 5 EFBDMM CCS[C@@H]1CCCCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001609248732 1098220770 /nfs/dbraw/zinc/22/07/70/1098220770.db2.gz QYZTZTIOAKAZGB-GFCCVEGCSA-N -1 1 348.432 2.887 20 5 EFBDMM CN1CCc2ccc(Nc3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)cc21 ZINC001609285597 1098237473 /nfs/dbraw/zinc/23/74/73/1098237473.db2.gz HVRCJETYNCZIDC-UHFFFAOYSA-N -1 1 337.343 2.511 20 5 EFBDMM Cc1csc([C@H](C)Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)n1 ZINC001609442354 1098326982 /nfs/dbraw/zinc/32/69/82/1098326982.db2.gz FXFGYNZNCZACLF-QMMMGPOBSA-N -1 1 331.361 2.713 20 5 EFBDMM Cc1csc([C@H](C)Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)n1 ZINC001609442354 1098326989 /nfs/dbraw/zinc/32/69/89/1098326989.db2.gz FXFGYNZNCZACLF-QMMMGPOBSA-N -1 1 331.361 2.713 20 5 EFBDMM O=[N+]([O-])c1ccc(Oc2cccnc2-c2nnn[n-]2)c2ccncc21 ZINC001609602035 1098396881 /nfs/dbraw/zinc/39/68/81/1098396881.db2.gz CIOWOSJQOOVFRD-UHFFFAOYSA-N -1 1 335.283 2.510 20 5 EFBDMM O=[N+]([O-])c1ccc(Oc2cccnc2-c2nn[n-]n2)c2ccncc21 ZINC001609602035 1098396887 /nfs/dbraw/zinc/39/68/87/1098396887.db2.gz CIOWOSJQOOVFRD-UHFFFAOYSA-N -1 1 335.283 2.510 20 5 EFBDMM Cc1[nH]nc2cc(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)ccc12 ZINC001610549406 1098746793 /nfs/dbraw/zinc/74/67/93/1098746793.db2.gz LLOCNUDLEXJMGK-UHFFFAOYSA-N -1 1 340.295 2.730 20 5 EFBDMM O=C([O-])[C@H](NCc1csc([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC001610718568 1098845664 /nfs/dbraw/zinc/84/56/64/1098845664.db2.gz BBUOGSUYEMKWSF-CQSZACIVSA-N -1 1 334.353 2.507 20 5 EFBDMM O=C([O-])CC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC001610766503 1098873118 /nfs/dbraw/zinc/87/31/18/1098873118.db2.gz IJHZCXXGZIKSGJ-OAHLLOKOSA-N -1 1 344.323 2.636 20 5 EFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2C[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC001610840049 1098927213 /nfs/dbraw/zinc/92/72/13/1098927213.db2.gz IVVRVESDCGCMMR-DOTOQJQBSA-N -1 1 342.351 2.601 20 5 EFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)cc1F ZINC000866970455 1108552057 /nfs/dbraw/zinc/55/20/57/1108552057.db2.gz RDXRPAMLBZUOFA-QMMMGPOBSA-N -1 1 338.307 2.508 20 5 EFBDMM O=C(NCC1(c2ccc(F)cc2)CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193500987 240111437 /nfs/dbraw/zinc/11/14/37/240111437.db2.gz OIMHDSQPSMUMQA-UHFFFAOYSA-N -1 1 345.330 2.686 20 5 EFBDMM CC[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Oc1cccc(C)c1 ZINC000193676356 240121275 /nfs/dbraw/zinc/12/12/75/240121275.db2.gz IIXWSYAJLVERBJ-ZDUSSCGKSA-N -1 1 345.355 2.591 20 5 EFBDMM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193588729 240223585 /nfs/dbraw/zinc/22/35/85/240223585.db2.gz JXRGRRBTEQHQJL-SMDDNHRTSA-N -1 1 327.340 2.714 20 5 EFBDMM O=C(N[C@@H]1CCSc2c(F)cccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186923639 284090245 /nfs/dbraw/zinc/09/02/45/284090245.db2.gz IOHKJMWDZGBVDJ-LLVKDONJSA-N -1 1 349.343 2.801 20 5 EFBDMM O=C(Nc1ccncc1[O-])c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000109890416 284383713 /nfs/dbraw/zinc/38/37/13/284383713.db2.gz NCXVQMLXPHRCSU-UHFFFAOYSA-N -1 1 328.328 2.548 20 5 EFBDMM C[C@@H](c1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1)N1CCOCC1 ZINC000264272401 246271957 /nfs/dbraw/zinc/27/19/57/246271957.db2.gz SAJGWVDVTATDBU-LBPRGKRZSA-N -1 1 344.371 2.568 20 5 EFBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000431638745 247925088 /nfs/dbraw/zinc/92/50/88/247925088.db2.gz WDFSJAVQQSRZIP-ZDUSSCGKSA-N -1 1 342.323 2.880 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2ccc(Cl)cc2C1 ZINC000193771393 284744365 /nfs/dbraw/zinc/74/43/65/284744365.db2.gz KZPZZVZINGVGRR-UHFFFAOYSA-N -1 1 333.731 2.547 20 5 EFBDMM Cc1nn(C)c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000095448021 218391843 /nfs/dbraw/zinc/39/18/43/218391843.db2.gz FSJNXIREABVGMU-UHFFFAOYSA-N -1 1 344.249 2.613 20 5 EFBDMM O=C(Nc1ccc(Oc2cccnc2)nc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000342442581 145127656 /nfs/dbraw/zinc/12/76/56/145127656.db2.gz ZTUHZZGEHTXIAH-UHFFFAOYSA-N -1 1 325.284 2.758 20 5 EFBDMM O=C(NCCc1ccc2ccccc2c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000342926312 145222984 /nfs/dbraw/zinc/22/29/84/145222984.db2.gz LPVPKZOPQHWYTA-UHFFFAOYSA-N -1 1 337.335 2.821 20 5 EFBDMM O=C(N[C@H]1CCC[C@@H]1c1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000349055225 146043785 /nfs/dbraw/zinc/04/37/85/146043785.db2.gz ILLPZDJAVHPWLD-HIFRSBDPSA-N -1 1 327.340 2.762 20 5 EFBDMM CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Nc1ccccc1 ZINC000349221058 146067374 /nfs/dbraw/zinc/06/73/74/146067374.db2.gz CUQKJORXGFTRBX-OAHLLOKOSA-N -1 1 344.371 2.562 20 5 EFBDMM CCOC(=O)CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000351980491 146254599 /nfs/dbraw/zinc/25/45/99/146254599.db2.gz CTKLNNKKPHHQKP-UHFFFAOYSA-N -1 1 331.328 2.671 20 5 EFBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3ccc(C(F)(F)F)cn3)no2)[n-]1 ZINC000355801123 147067643 /nfs/dbraw/zinc/06/76/43/147067643.db2.gz FGYUBWODZDOBJC-UHFFFAOYSA-N -1 1 339.233 2.978 20 5 EFBDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000355878751 147089913 /nfs/dbraw/zinc/08/99/13/147089913.db2.gz IIPPEAVFKXQFIM-UHFFFAOYSA-N -1 1 328.296 2.982 20 5 EFBDMM O=C(NCCc1cc2ccccc2s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000356575406 147280823 /nfs/dbraw/zinc/28/08/23/147280823.db2.gz YUMARNHNBUJGLT-UHFFFAOYSA-N -1 1 343.364 2.883 20 5 EFBDMM O=C(NCc1ccc2sccc2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000356693336 147311318 /nfs/dbraw/zinc/31/13/18/147311318.db2.gz ZJFSBKMJCXLUFE-UHFFFAOYSA-N -1 1 329.337 2.840 20 5 EFBDMM COCCn1ccc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc21 ZINC000356875821 147359845 /nfs/dbraw/zinc/35/98/45/147359845.db2.gz ZFQKKDCVZFYZLW-UHFFFAOYSA-N -1 1 328.328 2.776 20 5 EFBDMM O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000360465023 148368443 /nfs/dbraw/zinc/36/84/43/148368443.db2.gz YZLQDHBEVCOCBR-WPRPVWTQSA-N -1 1 347.293 2.794 20 5 EFBDMM COc1cccc(C(=O)[N-]c2nc3cc(Cl)ccn3n2)c1[N+](=O)[O-] ZINC000362301745 286445650 /nfs/dbraw/zinc/44/56/50/286445650.db2.gz UFJAQRFFJBBREK-UHFFFAOYSA-N -1 1 347.718 2.552 20 5 EFBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000187164510 265089753 /nfs/dbraw/zinc/08/97/53/265089753.db2.gz JLJJLBDHIPHESH-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM O=C(N[C@H]1CC[C@H](c2cccc(F)c2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000280281062 273310972 /nfs/dbraw/zinc/31/09/72/273310972.db2.gz RNMGVZVGDVPQPQ-FZMZJTMJSA-N -1 1 345.330 2.901 20 5 EFBDMM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000115721062 278033283 /nfs/dbraw/zinc/03/32/83/278033283.db2.gz JQHNGCICDXADSI-YPMHNXCESA-N -1 1 327.340 2.714 20 5 EFBDMM Cc1ccccc1[C@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186982067 278965062 /nfs/dbraw/zinc/96/50/62/278965062.db2.gz AZORQQIDOHGQOZ-CQSZACIVSA-N -1 1 327.340 2.981 20 5 EFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2cc(Cl)ccc2C1 ZINC000191594248 280168329 /nfs/dbraw/zinc/16/83/29/280168329.db2.gz ZRKDIFXCGXRLRE-UHFFFAOYSA-N -1 1 333.731 2.547 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@@H]1CCC(=O)[O-] ZINC000424268239 281017414 /nfs/dbraw/zinc/01/74/14/281017414.db2.gz ZRFXBPBPOGXCSY-CYBMUJFWSA-N -1 1 349.387 2.561 20 5 EFBDMM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2cc3ccccc3o2)cc1 ZINC000084936975 292825822 /nfs/dbraw/zinc/82/58/22/292825822.db2.gz GEVIQOZYUJOMFH-UHFFFAOYSA-N -1 1 346.364 2.862 20 5 EFBDMM Cc1ccc(S(=O)(=O)[N-]c2ncccc2Cl)cc1[N+](=O)[O-] ZINC000128628124 293110244 /nfs/dbraw/zinc/11/02/44/293110244.db2.gz VRTGLVNFDQRAIS-UHFFFAOYSA-N -1 1 327.749 2.752 20 5 EFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(O)c2F)c(Cl)c1 ZINC000131536948 293199613 /nfs/dbraw/zinc/19/96/13/293199613.db2.gz FGMLWICOIRQWHW-UHFFFAOYSA-N -1 1 346.723 2.894 20 5 EFBDMM Cc1ccc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000290619445 294137074 /nfs/dbraw/zinc/13/70/74/294137074.db2.gz GHNPJHOWQMWPNT-NSHDSACASA-N -1 1 345.321 2.798 20 5 EFBDMM Cc1ccc(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000290619442 294137564 /nfs/dbraw/zinc/13/75/64/294137564.db2.gz GHNPJHOWQMWPNT-LLVKDONJSA-N -1 1 345.321 2.798 20 5 EFBDMM CCc1c([N-]c2nccc(C(N)=O)c2[N+](=O)[O-])cnn1CCC(C)C ZINC000290914005 294219604 /nfs/dbraw/zinc/21/96/04/294219604.db2.gz HFYWFEHUDCRATF-UHFFFAOYSA-N -1 1 346.391 2.637 20 5 EFBDMM CCCc1nnc([N-]C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])s1 ZINC000294443900 295168321 /nfs/dbraw/zinc/16/83/21/295168321.db2.gz HCLSCAQIDFNRTN-UHFFFAOYSA-N -1 1 340.336 2.799 20 5 EFBDMM O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000298925416 311035092 /nfs/dbraw/zinc/03/50/92/311035092.db2.gz DDJOBCASGMXPRW-ZDUSSCGKSA-N -1 1 331.328 2.733 20 5 EFBDMM C[C@H]1CN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])[n-]2)C[C@H](C)O1 ZINC000298978001 311039280 /nfs/dbraw/zinc/03/92/80/311039280.db2.gz MMUGRULALDJZCE-RYUDHWBXSA-N -1 1 344.371 2.789 20 5 EFBDMM CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000299156158 311057212 /nfs/dbraw/zinc/05/72/12/311057212.db2.gz VYJNFIQXZBPEQM-UHFFFAOYSA-N -1 1 330.344 2.704 20 5 EFBDMM C[C@@H]1CN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)C[C@@H](C)O1 ZINC000299453447 311086435 /nfs/dbraw/zinc/08/64/35/311086435.db2.gz TUPSMIQDVJMFKU-VXGBXAGGSA-N -1 1 344.371 2.789 20 5 EFBDMM O=[N+]([O-])c1cnc([N-]c2ccn(CC(F)F)n2)c(Br)c1 ZINC000301546450 311143871 /nfs/dbraw/zinc/14/38/71/311143871.db2.gz PQPHBDMYAOSMLN-UHFFFAOYSA-N -1 1 348.107 2.958 20 5 EFBDMM Cc1cn2c(nc(C)c2-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)s1 ZINC000350535592 311804519 /nfs/dbraw/zinc/80/45/19/311804519.db2.gz GPSYVUXQSXYTLU-UHFFFAOYSA-N -1 1 330.329 2.966 20 5 EFBDMM Cc1cc(C)cc([C@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000525174843 316193404 /nfs/dbraw/zinc/19/34/04/316193404.db2.gz IWFMARIBTHNJOZ-LBPRGKRZSA-N -1 1 335.385 2.646 20 5 EFBDMM Cc1cccc([C@@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1C ZINC000525689604 316226463 /nfs/dbraw/zinc/22/64/63/316226463.db2.gz RKGCTCMHKJVJQU-GFCCVEGCSA-N -1 1 335.385 2.646 20 5 EFBDMM C[C@@H]1CCc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000539795972 317729749 /nfs/dbraw/zinc/72/97/49/317729749.db2.gz WXHBRPKWXWYWRZ-IAQYHMDHSA-N -1 1 347.396 2.592 20 5 EFBDMM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000551207692 318203317 /nfs/dbraw/zinc/20/33/17/318203317.db2.gz CONXHCLBKWGODD-UHFFFAOYSA-N -1 1 335.385 2.770 20 5 EFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000005121050 471486570 /nfs/dbraw/zinc/48/65/70/471486570.db2.gz SAMMHQOFWXIGLQ-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000067116661 471994273 /nfs/dbraw/zinc/99/42/73/471994273.db2.gz SLKQTYBDCSKOOB-UHFFFAOYSA-N -1 1 336.369 2.967 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2n[nH]cc2c1 ZINC000032591490 472445668 /nfs/dbraw/zinc/44/56/68/472445668.db2.gz SDGBDQDITFEMHW-UHFFFAOYSA-N -1 1 332.341 2.580 20 5 EFBDMM CC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000104759510 472691279 /nfs/dbraw/zinc/69/12/79/472691279.db2.gz DLBXPBXRANYAPX-JTQLQIEISA-N -1 1 341.414 2.789 20 5 EFBDMM Cc1sc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000613455588 480005333 /nfs/dbraw/zinc/00/53/33/480005333.db2.gz KQCPARNYOYZKBJ-UHFFFAOYSA-N -1 1 344.418 2.786 20 5 EFBDMM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092730251 472973709 /nfs/dbraw/zinc/97/37/09/472973709.db2.gz MBDPUCXDLQSCEG-ZIAGYGMSSA-N -1 1 349.431 2.817 20 5 EFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)cc1C ZINC000160656867 473158125 /nfs/dbraw/zinc/15/81/25/473158125.db2.gz NRUZDWXLWUPNDX-UHFFFAOYSA-N -1 1 338.389 2.859 20 5 EFBDMM O=C(NCCCc1cccc(Cl)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000192104009 473626396 /nfs/dbraw/zinc/62/63/96/473626396.db2.gz OLAZHCICATVVNC-UHFFFAOYSA-N -1 1 335.747 2.711 20 5 EFBDMM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000263094307 473742538 /nfs/dbraw/zinc/74/25/38/473742538.db2.gz UYIDRYMNXBNRHA-GXSJLCMTSA-N -1 1 344.314 2.739 20 5 EFBDMM CCc1[nH]nc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)c1[N+](=O)[O-] ZINC000192903258 473745136 /nfs/dbraw/zinc/74/51/36/473745136.db2.gz UMSHCAPNSMZPMP-SECBINFHSA-N -1 1 330.344 2.740 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccccc1)CC(F)F ZINC000187567656 473886858 /nfs/dbraw/zinc/88/68/58/473886858.db2.gz BNYDLBUZVPPDPQ-UHFFFAOYSA-N -1 1 337.282 2.603 20 5 EFBDMM CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000288520604 473969582 /nfs/dbraw/zinc/96/95/82/473969582.db2.gz HUCOORQPYXWLFH-CQSZACIVSA-N -1 1 345.355 2.927 20 5 EFBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000188391467 474079294 /nfs/dbraw/zinc/07/92/94/474079294.db2.gz GRVCYVFZJLPYJL-LLVKDONJSA-N -1 1 329.356 2.792 20 5 EFBDMM CC[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000610262467 480264898 /nfs/dbraw/zinc/26/48/98/480264898.db2.gz KJAKEJYHWOSNQN-GFCCVEGCSA-N -1 1 327.406 2.627 20 5 EFBDMM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000266927258 474533133 /nfs/dbraw/zinc/53/31/33/474533133.db2.gz KVPGWQKSBBEDRP-GXTWGEPZSA-N -1 1 341.367 2.789 20 5 EFBDMM CSc1ccc([C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000337102542 474700689 /nfs/dbraw/zinc/70/06/89/474700689.db2.gz GBKDMOAHKPQSAT-VIFPVBQESA-N -1 1 333.369 2.908 20 5 EFBDMM CSc1ccc([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000337102541 474701679 /nfs/dbraw/zinc/70/16/79/474701679.db2.gz GBKDMOAHKPQSAT-SECBINFHSA-N -1 1 333.369 2.908 20 5 EFBDMM CSc1cc(C)ccc1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000340874572 474739018 /nfs/dbraw/zinc/73/90/18/474739018.db2.gz FTIPVGXGSQBVBT-UHFFFAOYSA-N -1 1 333.369 2.656 20 5 EFBDMM Nc1nc(C2CCCC2)ncc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000293125358 474826587 /nfs/dbraw/zinc/82/65/87/474826587.db2.gz VQFRUHWYNBLUMM-UHFFFAOYSA-N -1 1 341.331 2.670 20 5 EFBDMM CC(C)(C)c1cc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[nH]n1 ZINC000324271705 474963992 /nfs/dbraw/zinc/96/39/92/474963992.db2.gz NWQGZZQJDNMJSB-UHFFFAOYSA-N -1 1 342.352 2.555 20 5 EFBDMM C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000286303093 475059417 /nfs/dbraw/zinc/05/94/17/475059417.db2.gz JRTIZQPRJSPCNC-FZMZJTMJSA-N -1 1 327.340 2.919 20 5 EFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccnc(OC4CCC4)c3)no2)[n-]1 ZINC000273863304 475089971 /nfs/dbraw/zinc/08/99/71/475089971.db2.gz PFQHIABMWNDBQP-UHFFFAOYSA-N -1 1 327.300 2.966 20 5 EFBDMM O=C(N[C@@H]1CC[C@H](c2ccccc2F)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000361346035 475373927 /nfs/dbraw/zinc/37/39/27/475373927.db2.gz LXJIDDPGFKRQIW-WDEREUQCSA-N -1 1 345.330 2.901 20 5 EFBDMM COc1c(C(=O)[N-]c2nnc(C(F)(F)F)s2)cccc1[N+](=O)[O-] ZINC000354932808 475535524 /nfs/dbraw/zinc/53/55/24/475535524.db2.gz TXKMEKREBKSMBP-UHFFFAOYSA-N -1 1 348.262 2.726 20 5 EFBDMM COc1cc(C(=O)Nc2ccc(F)cc2[O-])cc([N+](=O)[O-])c1OC ZINC000340328958 475949481 /nfs/dbraw/zinc/94/94/81/475949481.db2.gz DKCXMRUUCCGNDA-UHFFFAOYSA-N -1 1 336.275 2.709 20 5 EFBDMM Cc1ccc(S(=O)(=O)[N-]c2cc3c[nH]nc3cc2C)cc1[N+](=O)[O-] ZINC000358807994 475955322 /nfs/dbraw/zinc/95/53/22/475955322.db2.gz ZJJMBBCXXGGVLC-UHFFFAOYSA-N -1 1 346.368 2.889 20 5 EFBDMM COc1cc(OC)c(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1OC ZINC000355554542 476028079 /nfs/dbraw/zinc/02/80/79/476028079.db2.gz BAJQWPQETHGXJS-UHFFFAOYSA-N -1 1 346.299 2.666 20 5 EFBDMM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000340503443 476070145 /nfs/dbraw/zinc/07/01/45/476070145.db2.gz YQFXRPNSVPRLCL-VIFPVBQESA-N -1 1 342.323 2.913 20 5 EFBDMM CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c([O-])c1 ZINC000340592844 476132219 /nfs/dbraw/zinc/13/22/19/476132219.db2.gz FREKFPQRENAIGN-UHFFFAOYSA-N -1 1 348.286 2.869 20 5 EFBDMM Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000343944060 476135914 /nfs/dbraw/zinc/13/59/14/476135914.db2.gz LOBGJDSBZPCUTF-UHFFFAOYSA-N -1 1 345.746 2.745 20 5 EFBDMM Cc1cc([N+](=O)[O-])ccc1CN[C@@]1(C(=O)[O-])CCOc2ccccc21 ZINC000340674816 476197119 /nfs/dbraw/zinc/19/71/19/476197119.db2.gz MBPVIXBPKPRGCG-SFHVURJKSA-N -1 1 342.351 2.755 20 5 EFBDMM CC(C)Oc1cccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000302935958 476211531 /nfs/dbraw/zinc/21/15/31/476211531.db2.gz JFHFKIYETZQZDQ-NSHDSACASA-N -1 1 345.355 2.974 20 5 EFBDMM CCN(CC)C(=O)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000340697837 476215841 /nfs/dbraw/zinc/21/58/41/476215841.db2.gz SVVQFZIQLIOVIR-UHFFFAOYSA-N -1 1 344.371 2.586 20 5 EFBDMM CC(C)(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1F ZINC000303090860 476219946 /nfs/dbraw/zinc/21/99/46/476219946.db2.gz IBYHGODTTRTPNH-UHFFFAOYSA-N -1 1 333.319 2.542 20 5 EFBDMM Cc1ccccc1C(C)(C)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303161022 476221689 /nfs/dbraw/zinc/22/16/89/476221689.db2.gz UAUYNAQSPQLQAZ-UHFFFAOYSA-N -1 1 329.356 2.711 20 5 EFBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC000357091050 476224915 /nfs/dbraw/zinc/22/49/15/476224915.db2.gz WCNLDTCKJGVLKD-UHFFFAOYSA-N -1 1 334.353 2.721 20 5 EFBDMM Cc1ccc([C@]2(C)CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cc1 ZINC000364419507 476527773 /nfs/dbraw/zinc/52/77/73/476527773.db2.gz QLTJTDJSNWKTDQ-GOSISDBHSA-N -1 1 341.367 2.808 20 5 EFBDMM O=C(c1ncccc1[O-])N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452848803 477105307 /nfs/dbraw/zinc/10/53/07/477105307.db2.gz LKKXROXQIXTKDZ-CYBMUJFWSA-N -1 1 327.340 2.715 20 5 EFBDMM CC(C)(CF)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416466570 477182055 /nfs/dbraw/zinc/18/20/55/477182055.db2.gz QUXHYPHPLXQGGC-UHFFFAOYSA-N -1 1 344.286 2.640 20 5 EFBDMM CN(Cc1ccc(F)c(Cl)c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000432279855 477189423 /nfs/dbraw/zinc/18/94/23/477189423.db2.gz KKAHPBTWJWAYJM-UHFFFAOYSA-N -1 1 339.710 2.760 20 5 EFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000416562972 477218706 /nfs/dbraw/zinc/21/87/06/477218706.db2.gz XRHGJHQFITURKI-WCABBAIRSA-N -1 1 330.793 2.715 20 5 EFBDMM CC[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000416591759 477231309 /nfs/dbraw/zinc/23/13/09/477231309.db2.gz IAOPTJUGEMUECL-SECBINFHSA-N -1 1 340.323 2.852 20 5 EFBDMM CCOC(=O)c1cnc(C(C)=Cc2ccc([N+](=O)[O-])cc2F)[n-]c1=O ZINC000432704855 477252473 /nfs/dbraw/zinc/25/24/73/477252473.db2.gz HTFMJGVUACEXDE-RMKNXTFCSA-N -1 1 347.302 2.967 20 5 EFBDMM O=c1[n-]nc([C@@H]2CCCN(c3nccc4c3cccc4[N+](=O)[O-])C2)o1 ZINC000450500278 477608380 /nfs/dbraw/zinc/60/83/80/477608380.db2.gz MVLJZNZDIVUKEH-SNVBAGLBSA-N -1 1 341.327 2.616 20 5 EFBDMM CCn1cc([N+](=O)[O-])c(-c2nc(-c3ccc([O-])cc3Cl)no2)n1 ZINC000436872453 477621228 /nfs/dbraw/zinc/62/12/28/477621228.db2.gz WPTGUUYPXOFTOW-UHFFFAOYSA-N -1 1 335.707 2.887 20 5 EFBDMM CCN(CC)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccco1 ZINC000436925266 477637162 /nfs/dbraw/zinc/63/71/62/477637162.db2.gz JTGZQADBCRMETG-CQSZACIVSA-N -1 1 347.371 2.706 20 5 EFBDMM Cc1ccc([C@H](C)NC(=O)c2csc(=NC3CC3)[n-]2)cc1[N+](=O)[O-] ZINC000426665627 477735914 /nfs/dbraw/zinc/73/59/14/477735914.db2.gz LSAGFUKFICSVFI-JTQLQIEISA-N -1 1 346.412 2.847 20 5 EFBDMM Cc1ncn(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)c1C ZINC000428589215 477936667 /nfs/dbraw/zinc/93/66/67/477936667.db2.gz WLEYXISLLKWNCC-UHFFFAOYSA-N -1 1 325.328 2.978 20 5 EFBDMM Cc1noc(-c2ccc(C)c(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)n1 ZINC000518305082 478157177 /nfs/dbraw/zinc/15/71/77/478157177.db2.gz QCLMEBHPNGIUHS-UHFFFAOYSA-N -1 1 327.300 2.842 20 5 EFBDMM CO[C@H](CS(=O)(=O)[N-]c1ccc(C)c([N+](=O)[O-])c1)C1CCCC1 ZINC000594696264 478501193 /nfs/dbraw/zinc/50/11/93/478501193.db2.gz NHSCUWVRNRFKCZ-OAHLLOKOSA-N -1 1 342.417 2.850 20 5 EFBDMM CCN1C[C@@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H](C)C1 ZINC000563409379 478551422 /nfs/dbraw/zinc/55/14/22/478551422.db2.gz WTYMTMOIOJYSCO-AOOOYVTPSA-N -1 1 341.795 2.509 20 5 EFBDMM Cc1ccccc1[C@@H](C(=O)[O-])N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000571463799 478602756 /nfs/dbraw/zinc/60/27/56/478602756.db2.gz IXFCENWNDISKHH-KRWDZBQOSA-N -1 1 342.351 2.924 20 5 EFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](F)C1 ZINC000571518818 478614957 /nfs/dbraw/zinc/61/49/57/478614957.db2.gz LCEIAARXJPRHJL-NXEZZACHSA-N -1 1 336.772 2.807 20 5 EFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC(c3ccon3)CC2)c1 ZINC000595279641 478711032 /nfs/dbraw/zinc/71/10/32/478711032.db2.gz SKHZLYWGQQYGLI-UHFFFAOYSA-N -1 1 331.328 2.661 20 5 EFBDMM COc1ccc(COCc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000545684867 478948648 /nfs/dbraw/zinc/94/86/48/478948648.db2.gz QHAGMQXNIYXGGO-UHFFFAOYSA-N -1 1 330.300 2.698 20 5 EFBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000583993982 478989239 /nfs/dbraw/zinc/98/92/39/478989239.db2.gz HDMNYWCIJLYAOT-DOMZBBRYSA-N -1 1 336.388 2.925 20 5 EFBDMM COc1ccc(OCCSc2ncc(C)c(=O)[n-]2)c([N+](=O)[O-])c1 ZINC000584422351 479131717 /nfs/dbraw/zinc/13/17/17/479131717.db2.gz TYTQPKBXWBVCMY-UHFFFAOYSA-N -1 1 337.357 2.579 20 5 EFBDMM CCCC[C@H](CCC)C[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000611106792 479283766 /nfs/dbraw/zinc/28/37/66/479283766.db2.gz KRXOSZQSLDOKGW-LBPRGKRZSA-N -1 1 346.453 2.696 20 5 EFBDMM Cc1noc(C2CC2)c1[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000574569943 479310019 /nfs/dbraw/zinc/31/00/19/479310019.db2.gz VSRIADZMWJDFAH-UHFFFAOYSA-N -1 1 331.284 2.750 20 5 EFBDMM CNc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000574638423 479320950 /nfs/dbraw/zinc/32/09/50/479320950.db2.gz SBSBITWZHREXMZ-UHFFFAOYSA-N -1 1 347.396 2.926 20 5 EFBDMM O=C([O-])CC[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000593753470 479447141 /nfs/dbraw/zinc/44/71/41/479447141.db2.gz UQCUAKSERAIQDS-NSHDSACASA-N -1 1 333.344 2.813 20 5 EFBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]C1(C(F)F)CCCC1 ZINC000588906073 479455751 /nfs/dbraw/zinc/45/57/51/479455751.db2.gz IIQGEXSKQDAUQY-UHFFFAOYSA-N -1 1 348.371 2.635 20 5 EFBDMM O=C(Nc1cc2c(cc1Cl)OCCCO2)c1ccc([N+](=O)[O-])[n-]1 ZINC000604071471 479469750 /nfs/dbraw/zinc/46/97/50/479469750.db2.gz MDSSYRWGDMRYAH-UHFFFAOYSA-N -1 1 337.719 2.990 20 5 EFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCCCC12CCCC2 ZINC000576203451 479561419 /nfs/dbraw/zinc/56/14/19/479561419.db2.gz BZTYQQPTODJJTP-ZDUSSCGKSA-N -1 1 339.417 2.771 20 5 EFBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000610211832 480252221 /nfs/dbraw/zinc/25/22/21/480252221.db2.gz ALAPZLXBTKEANQ-CQSZACIVSA-N -1 1 335.385 2.665 20 5 EFBDMM CC(C)[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000610211831 480252696 /nfs/dbraw/zinc/25/26/96/480252696.db2.gz ALAPZLXBTKEANQ-AWEZNQCLSA-N -1 1 335.385 2.665 20 5 EFBDMM Cc1cc(C)cc(C[C@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000610267109 480266359 /nfs/dbraw/zinc/26/63/59/480266359.db2.gz MIPQUCWPYRYBSC-ZDUSSCGKSA-N -1 1 349.412 2.516 20 5 EFBDMM COc1cccc([C@@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000186835397 533728676 /nfs/dbraw/zinc/72/86/76/533728676.db2.gz WLWAWJQMMXHTHC-AWEZNQCLSA-N -1 1 343.339 2.681 20 5 EFBDMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000121658140 519728261 /nfs/dbraw/zinc/72/82/61/519728261.db2.gz PHCBIXZUZTVUGJ-UHFFFAOYSA-N -1 1 329.312 2.820 20 5 EFBDMM COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c(C)c1F ZINC000181115111 525085723 /nfs/dbraw/zinc/08/57/23/525085723.db2.gz WWJODKMOQIJRCJ-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(OCC2CCCC2)CC1 ZINC000193681838 526873336 /nfs/dbraw/zinc/87/33/36/526873336.db2.gz LVUGZNIDASYMEC-UHFFFAOYSA-N -1 1 349.387 2.507 20 5 EFBDMM O=C([N-]c1nnc(C(F)F)s1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000067702065 527533133 /nfs/dbraw/zinc/53/31/33/527533133.db2.gz RIRRQVOSPIQHNC-UHFFFAOYSA-N -1 1 340.271 2.513 20 5 EFBDMM CCCCc1cc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[nH]n1 ZINC000159937372 529016880 /nfs/dbraw/zinc/01/68/80/529016880.db2.gz UCFYRBYJSMMZGF-UHFFFAOYSA-N -1 1 338.389 2.770 20 5 EFBDMM CCc1n[nH]c([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1C ZINC000358796357 536011570 /nfs/dbraw/zinc/01/15/70/536011570.db2.gz CUTYEVHVVDUUKW-UHFFFAOYSA-N -1 1 338.389 2.606 20 5 EFBDMM CCCCCC(C)(C)C[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000754810307 575494417 /nfs/dbraw/zinc/49/44/17/575494417.db2.gz RTZDSCAMEPROBK-UHFFFAOYSA-N -1 1 346.453 2.696 20 5 EFBDMM Cc1c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[nH]nc1C1CC1 ZINC000760324183 576005298 /nfs/dbraw/zinc/00/52/98/576005298.db2.gz WRLKTZISBOSSLY-UHFFFAOYSA-N -1 1 336.373 2.613 20 5 EFBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc[nH]1 ZINC000760403914 576018978 /nfs/dbraw/zinc/01/89/78/576018978.db2.gz MJGPKEJTAFJZJA-QMMMGPOBSA-N -1 1 329.765 2.616 20 5 EFBDMM Cc1nc2ccccc2nc1COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769044724 577327311 /nfs/dbraw/zinc/32/73/11/577327311.db2.gz BSAWTMRGDXVQDC-UHFFFAOYSA-N -1 1 339.307 2.909 20 5 EFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1cccc(F)c1 ZINC000769046877 577327645 /nfs/dbraw/zinc/32/76/45/577327645.db2.gz IPQLPTCSDXYXOH-VIFPVBQESA-N -1 1 348.286 2.624 20 5 EFBDMM O=C(Oc1ccc(N2CCCC2=O)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000770402971 577415774 /nfs/dbraw/zinc/41/57/74/577415774.db2.gz ZUTWKCQYKMIACI-UHFFFAOYSA-N -1 1 342.307 2.646 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(CCc1ccccc1)C1CC1 ZINC000770628965 581118666 /nfs/dbraw/zinc/11/86/66/581118666.db2.gz IGUCJKMHAZIPNR-UHFFFAOYSA-N -1 1 327.340 2.543 20 5 EFBDMM O=C(Oc1ccc(NC(=O)C2CC2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000772214838 581296198 /nfs/dbraw/zinc/29/61/98/581296198.db2.gz VCJQETUREBLSCM-UHFFFAOYSA-N -1 1 342.307 2.868 20 5 EFBDMM CN(C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1F ZINC000773241453 581408918 /nfs/dbraw/zinc/40/89/18/581408918.db2.gz LEPILCHTILYXFI-UHFFFAOYSA-N -1 1 333.319 2.753 20 5 EFBDMM C[C@H](OC(=O)c1ccc([O-])cc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000773570515 581446770 /nfs/dbraw/zinc/44/67/70/581446770.db2.gz ZUIGXDOEDQCTHZ-VIFPVBQESA-N -1 1 348.286 2.624 20 5 EFBDMM O=[N+]([O-])c1ccc(Oc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000738367246 598955355 /nfs/dbraw/zinc/95/53/55/598955355.db2.gz OJEVTLIDSPAKCZ-UHFFFAOYSA-N -1 1 335.283 2.510 20 5 EFBDMM O=[N+]([O-])c1cnc(Sc2ccc(F)cc2F)c(-c2nn[n-]n2)c1 ZINC000823652268 599302815 /nfs/dbraw/zinc/30/28/15/599302815.db2.gz XVUOAVZXHXOJQO-UHFFFAOYSA-N -1 1 336.283 2.599 20 5 EFBDMM O=C([O-])C[C@H]1CCCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000821516076 598201925 /nfs/dbraw/zinc/20/19/25/598201925.db2.gz OZLMYFHKLGBAII-CYBMUJFWSA-N -1 1 344.371 2.603 20 5 EFBDMM O=[N+]([O-])c1cccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)c1 ZINC000823647265 599501835 /nfs/dbraw/zinc/50/18/35/599501835.db2.gz JHMBPYGKVPXORW-UHFFFAOYSA-N -1 1 347.338 2.935 20 5 EFBDMM O=[N+]([O-])c1cccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)c1 ZINC000823647265 599501839 /nfs/dbraw/zinc/50/18/39/599501839.db2.gz JHMBPYGKVPXORW-UHFFFAOYSA-N -1 1 347.338 2.935 20 5 EFBDMM COc1ccc([C@@H](NCc2ccc(OC)c([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000737969929 599862880 /nfs/dbraw/zinc/86/28/80/599862880.db2.gz MSDRHMXGYHXQLX-MRXNPFEDSA-N -1 1 346.339 2.528 20 5 EFBDMM CCN(CCC(=O)[O-])Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000737097308 600425280 /nfs/dbraw/zinc/42/52/80/600425280.db2.gz WQEFROPKXHRNHO-UHFFFAOYSA-N -1 1 325.346 2.626 20 5 EFBDMM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000827928747 601012995 /nfs/dbraw/zinc/01/29/95/601012995.db2.gz OTGBAFUYKKVVBE-MNOVXSKESA-N -1 1 346.343 2.528 20 5 EFBDMM Cc1cc(C[C@H](C)Nc2ccc(C=CC(=O)[O-])cc2[N+](=O)[O-])[nH]n1 ZINC000832883112 604646757 /nfs/dbraw/zinc/64/67/57/604646757.db2.gz HYMVLYVZPOWSPD-OAQKJQOQSA-N -1 1 330.344 2.767 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1c(F)cccc1Cl ZINC000823624750 606703763 /nfs/dbraw/zinc/70/37/63/606703763.db2.gz IEFSRSUKKQBYCT-UHFFFAOYSA-N -1 1 349.713 2.575 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1c(F)cccc1Cl ZINC000823624750 606703765 /nfs/dbraw/zinc/70/37/65/606703765.db2.gz IEFSRSUKKQBYCT-UHFFFAOYSA-N -1 1 349.713 2.575 20 5 EFBDMM CC(C)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])C1CCCC1 ZINC000824162767 607809141 /nfs/dbraw/zinc/80/91/41/607809141.db2.gz NHZXOXMVADHBEA-UHFFFAOYSA-N -1 1 331.380 2.798 20 5 EFBDMM CC(C)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])C1CCCC1 ZINC000824162767 607809142 /nfs/dbraw/zinc/80/91/42/607809142.db2.gz NHZXOXMVADHBEA-UHFFFAOYSA-N -1 1 331.380 2.798 20 5 EFBDMM O=[N+]([O-])c1cc(N2CCC[C@@H](C(F)(F)F)C2)ccc1-c1nn[n-]n1 ZINC000826498272 607839257 /nfs/dbraw/zinc/83/92/57/607839257.db2.gz NXXSSTFPNRCUGV-MRVPVSSYSA-N -1 1 342.281 2.554 20 5 EFBDMM COC(=O)c1cc([N-]C(=O)c2scnc2Cl)cc([N+](=O)[O-])c1 ZINC000736194645 1267533638 /nfs/dbraw/zinc/53/36/38/1267533638.db2.gz GFWIAXHWYOBLBR-UHFFFAOYSA-N -1 1 341.732 2.744 20 5 EFBDMM O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([O-])cc1F ZINC000792088975 1278564203 /nfs/dbraw/zinc/56/42/03/1278564203.db2.gz IOZKSSQFEHADFF-UHFFFAOYSA-N -1 1 336.231 2.705 20 5 EFBDMM O=c1[n-]c2nc(=O)[nH]c(Nc3cc4cccnc4c4ncccc34)c2[nH]1 ZINC001170219316 1278894647 /nfs/dbraw/zinc/89/46/47/1278894647.db2.gz OWJBPKFDKBHPGD-UHFFFAOYSA-N -1 1 345.322 2.556 20 5 EFBDMM CC(C)c1ncc(S(=O)(=O)Oc2cccc(Cl)c2[N+](=O)[O-])[n-]1 ZINC000815056950 1287271812 /nfs/dbraw/zinc/27/18/12/1287271812.db2.gz FBPIVDCPFNENNJ-UHFFFAOYSA-N -1 1 345.764 2.862 20 5 EFBDMM CC(C)c1nc(S(=O)(=O)Oc2cccc(Cl)c2[N+](=O)[O-])c[n-]1 ZINC000815056950 1287271815 /nfs/dbraw/zinc/27/18/15/1287271815.db2.gz FBPIVDCPFNENNJ-UHFFFAOYSA-N -1 1 345.764 2.862 20 5 EFBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccc[nH]1 ZINC000815029651 1287277127 /nfs/dbraw/zinc/27/71/27/1287277127.db2.gz QNINSSPXHULSLK-ZETCQYMHSA-N -1 1 347.755 2.755 20 5 EFBDMM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815036140 1287281989 /nfs/dbraw/zinc/28/19/89/1287281989.db2.gz RKDOJXGGZNHRJQ-SFYZADRCSA-N -1 1 336.772 2.854 20 5 EFBDMM CC1(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815040513 1287283489 /nfs/dbraw/zinc/28/34/89/1287283489.db2.gz BKEUTJQUCYTWBU-UHFFFAOYSA-N -1 1 336.772 2.856 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C1CC2(CCC2)C1 ZINC000846036125 1279994837 /nfs/dbraw/zinc/99/48/37/1279994837.db2.gz XNWIXAVGLJWMOR-UHFFFAOYSA-N -1 1 348.783 2.998 20 5 EFBDMM COc1cccc2c(C(=O)OCc3c(F)cccc3[N+](=O)[O-])[nH]nc21 ZINC000808675324 1281859931 /nfs/dbraw/zinc/85/99/31/1281859931.db2.gz CSVGDWHOYDTQBS-UHFFFAOYSA-N -1 1 345.286 2.976 20 5 EFBDMM O=c1[n-]cnc(Nc2cc([N+](=O)[O-])ccc2F)c1Br ZINC001175734212 1287532473 /nfs/dbraw/zinc/53/24/73/1287532473.db2.gz NVUUTXHHHUVMKJ-UHFFFAOYSA-N -1 1 329.085 2.736 20 5 EFBDMM Cc1cc(=O)oc2cc(N(C)C(=O)c3ccc([N+](=O)[O-])[n-]3)ccc12 ZINC000805345710 1282257512 /nfs/dbraw/zinc/25/75/12/1282257512.db2.gz MYAHRCJYFXSKFS-UHFFFAOYSA-N -1 1 327.296 2.614 20 5 EFBDMM Cc1occc1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809810916 1282474095 /nfs/dbraw/zinc/47/40/95/1282474095.db2.gz ROHWWSVNKSRQCF-UHFFFAOYSA-N -1 1 348.739 2.767 20 5 EFBDMM CC1(C)CC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809845374 1282502395 /nfs/dbraw/zinc/50/23/95/1282502395.db2.gz JCJBSEINYBXXNR-NSHDSACASA-N -1 1 336.772 2.854 20 5 EFBDMM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809843782 1282502771 /nfs/dbraw/zinc/50/27/71/1282502771.db2.gz RJMIISQMMWKGBG-HZGVNTEJSA-N -1 1 339.200 2.978 20 5 EFBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(/C=C/[N+](=O)[O-])cc2)cc1N ZINC001175902102 1287602204 /nfs/dbraw/zinc/60/22/04/1287602204.db2.gz GSUNPRWEVZLIOT-CMDGGOBGSA-N -1 1 333.369 2.625 20 5 EFBDMM COc1nc(C)cc(C)c1COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000805502489 1286111166 /nfs/dbraw/zinc/11/11/66/1286111166.db2.gz IMOJJOHBLSUYPU-UHFFFAOYSA-N -1 1 332.312 2.678 20 5 EFBDMM COC(=O)[C@@H]([N-]c1ccc2ncccc2c1[N+](=O)[O-])C(F)(F)F ZINC001171016048 1289295990 /nfs/dbraw/zinc/29/59/90/1289295990.db2.gz XHIRKAPHLAGGIV-LLVKDONJSA-N -1 1 329.234 2.659 20 5 EFBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cc(F)c(F)cc2Cl)no1 ZINC001212893034 1290625742 /nfs/dbraw/zinc/62/57/42/1290625742.db2.gz JHMKNVHMUOLLBC-UHFFFAOYSA-N -1 1 327.634 2.967 20 5 EFBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccc(F)c(Cl)c2F)no1 ZINC001212892908 1290629270 /nfs/dbraw/zinc/62/92/70/1290629270.db2.gz BLCXUQACMUGUKS-UHFFFAOYSA-N -1 1 327.634 2.967 20 5 EFBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(O)c2F)c1F ZINC000131532620 1293548373 /nfs/dbraw/zinc/54/83/73/1293548373.db2.gz MVVPWUYSHVYJNY-UHFFFAOYSA-N -1 1 344.295 2.688 20 5 EFBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1cccnc1Cl ZINC000800051941 1293896792 /nfs/dbraw/zinc/89/67/92/1293896792.db2.gz AKFWYHFZSMBGMQ-UHFFFAOYSA-N -1 1 345.739 2.892 20 5 EFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Cc1ccccc1Cl ZINC000800185898 1293946592 /nfs/dbraw/zinc/94/65/92/1293946592.db2.gz OXRNRHSSZQCYQR-UHFFFAOYSA-N -1 1 349.726 2.922 20 5 EFBDMM COC(=O)c1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)[n-]1 ZINC000796345934 1294520363 /nfs/dbraw/zinc/52/03/63/1294520363.db2.gz OQONHQAGYDOGCJ-UHFFFAOYSA-N -1 1 338.703 2.720 20 5 EFBDMM COC(=O)c1cc(F)c(=O)[n-]c1O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001234607122 1313167015 /nfs/dbraw/zinc/16/70/15/1313167015.db2.gz YJZSGNLYPWVSTF-QMMMGPOBSA-N -1 1 336.275 2.761 20 5 EFBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(O[C@@H]3CCCOC3)c12 ZINC001234742169 1313187862 /nfs/dbraw/zinc/18/78/62/1313187862.db2.gz NBVWEMLUGZXTQP-LLVKDONJSA-N -1 1 328.320 2.915 20 5 EFBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(O[C@@H]3CCOC[C@@H]3F)c12 ZINC001234743543 1313188053 /nfs/dbraw/zinc/18/80/53/1313188053.db2.gz OGDYJBUZCKGWGQ-WCQYABFASA-N -1 1 346.310 2.863 20 5 EFBDMM C[C@H]1COC[C@@H]1Oc1cc([O-])cc2oc3c(O)cccc3c(=O)c12 ZINC001234747298 1313188774 /nfs/dbraw/zinc/18/87/74/1313188774.db2.gz KMHGNBQUUURJIJ-VFZGTOFNSA-N -1 1 328.320 2.771 20 5 EFBDMM O=[N+]([O-])c1cc(Br)cc([O-])c1O[C@H]1CCOC[C@H]1F ZINC001234875846 1313201777 /nfs/dbraw/zinc/20/17/77/1313201777.db2.gz WAJZGMSGZWYUCA-XCBNKYQSSA-N -1 1 336.113 2.569 20 5 EFBDMM O=C1CCC(Oc2c([O-])cc(Br)cc2[N+](=O)[O-])CC1 ZINC001234880331 1313202379 /nfs/dbraw/zinc/20/23/79/1313202379.db2.gz BMPLFUCMASDPSI-UHFFFAOYSA-N -1 1 330.134 2.953 20 5 EFBDMM CCCOC(=O)[C@H](C)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234878134 1313202440 /nfs/dbraw/zinc/20/24/40/1313202440.db2.gz ROGGSPUJRICWBK-ZETCQYMHSA-N -1 1 348.149 2.783 20 5 EFBDMM Cc1cc(-c2noc(-c3n[n-]c(C(F)(F)F)c3[N+](=O)[O-])n2)ccn1 ZINC001212972546 1297279619 /nfs/dbraw/zinc/27/96/19/1297279619.db2.gz CRIHXCKTCIWLBL-UHFFFAOYSA-N -1 1 340.221 2.757 20 5 EFBDMM Nc1ccc([N-]S(=O)(=O)c2cccc3c2CCCC3)cc1[N+](=O)[O-] ZINC000748639695 1314046928 /nfs/dbraw/zinc/04/69/28/1314046928.db2.gz FXKSZWFZRPMDKH-UHFFFAOYSA-N -1 1 347.396 2.857 20 5 EFBDMM O=[N+]([O-])c1cc(Nc2cnc(-n3nccn3)c(Cl)c2)ccc1[O-] ZINC001210395152 1314325657 /nfs/dbraw/zinc/32/56/57/1314325657.db2.gz PLILAIGDWPRNLA-UHFFFAOYSA-N -1 1 332.707 2.673 20 5 EFBDMM O=[N+]([O-])c1cc(Nc2ccc(OC3CCOCC3)nc2)ccc1[O-] ZINC001210393369 1314325827 /nfs/dbraw/zinc/32/58/27/1314325827.db2.gz RBXCCCHPELFQPP-UHFFFAOYSA-N -1 1 331.328 2.997 20 5 EFBDMM O=[N+]([O-])c1cc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])ccc1O ZINC001210399744 1314326637 /nfs/dbraw/zinc/32/66/37/1314326637.db2.gz ZSHNOBPKYLBWAT-UHFFFAOYSA-N -1 1 344.732 2.944 20 5 EFBDMM CCOC(=O)c1c([N-]c2ccc(F)cc2[N+](=O)[O-])nn2cccnc12 ZINC001210951913 1314414906 /nfs/dbraw/zinc/41/49/06/1314414906.db2.gz RIMHERKCEDYEMG-UHFFFAOYSA-N -1 1 345.290 2.697 20 5 EFBDMM Cc1ccc(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(C)c1 ZINC000780072241 1311054748 /nfs/dbraw/zinc/05/47/48/1311054748.db2.gz OFAJGDIAYWJWCW-UHFFFAOYSA-N -1 1 329.308 2.957 20 5 EFBDMM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000801929720 1311113413 /nfs/dbraw/zinc/11/34/13/1311113413.db2.gz TWGATSIQTHIMSE-UHFFFAOYSA-N -1 1 325.683 2.927 20 5 EFBDMM COC(=O)c1oc([C@@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1C ZINC000780073944 1311166980 /nfs/dbraw/zinc/16/69/80/1311166980.db2.gz AARVBNVIQVMBDG-SECBINFHSA-N -1 1 349.295 2.906 20 5 EFBDMM Cc1cc(Nc2[n-]c(=O)nc3nc[nH]c32)nc2ccc([N+](=O)[O-])cc12 ZINC001159192091 1311470559 /nfs/dbraw/zinc/47/05/59/1311470559.db2.gz JBTMWYWGVFLNDJ-UHFFFAOYSA-N -1 1 337.299 2.567 20 5 EFBDMM C[C@@H](c1ccccn1)N1CC[C@@H](Oc2cccc([O-])c2[N+](=O)[O-])C1 ZINC001225621049 1311555122 /nfs/dbraw/zinc/55/51/22/1311555122.db2.gz ZZCLCYPXIGNMCM-QWHCGFSZSA-N -1 1 329.356 2.910 20 5 EFBDMM C[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1cccc(Br)n1 ZINC001225662156 1311561498 /nfs/dbraw/zinc/56/14/98/1311561498.db2.gz RBVCTINDFAUDNC-ZETCQYMHSA-N -1 1 340.133 2.993 20 5 EFBDMM C[C@@H](COc1ccccc1)OCCCOc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225663280 1311562127 /nfs/dbraw/zinc/56/21/27/1311562127.db2.gz BQUNIRYKVZLAMA-ZDUSSCGKSA-N -1 1 348.355 2.948 20 5 EFBDMM C[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1cc(Br)no1 ZINC001225665416 1311562256 /nfs/dbraw/zinc/56/22/56/1311562256.db2.gz ZBIHFRDIQDRISO-YFKPBYRVSA-N -1 1 330.094 2.586 20 5 EFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H]1CC2CCC1CC2 ZINC001226310133 1311645873 /nfs/dbraw/zinc/64/58/73/1311645873.db2.gz NCZUGFOVNMZUAO-CBINBANVSA-N -1 1 336.344 2.830 20 5 EFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1CCCC[C@H]1F ZINC001226310140 1311646049 /nfs/dbraw/zinc/64/60/49/1311646049.db2.gz NDNJTPFNVSDHJY-NXEZZACHSA-N -1 1 328.296 2.532 20 5 EFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001226311216 1311646348 /nfs/dbraw/zinc/64/63/48/1311646348.db2.gz UTRORASCJAQBQF-UIKWRGBMSA-N -1 1 336.344 2.686 20 5 EFBDMM O=c1c2cc(OC[C@@H]3CCCO3)c([O-])cc2oc2cccc(O)c12 ZINC001227307217 1311791446 /nfs/dbraw/zinc/79/14/46/1311791446.db2.gz TVJJYUBUEICQAL-JTQLQIEISA-N -1 1 328.320 2.915 20 5 EFBDMM C[C@@H](Oc1[n-]c(=S)ncc1F)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001227382072 1311801036 /nfs/dbraw/zinc/80/10/36/1311801036.db2.gz ADPMTYKOEDCTBA-ZCFIWIBFSA-N -1 1 339.304 2.681 20 5 EFBDMM C[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1c(Cl)cncc1Cl ZINC001228141079 1311906491 /nfs/dbraw/zinc/90/64/91/1311906491.db2.gz PAPZPEIDTQWXKF-RXMQYKEDSA-N -1 1 331.115 2.932 20 5 EFBDMM O=c1[n-]cnc(O[C@H]2CC[C@H](OCc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228141311 1311906637 /nfs/dbraw/zinc/90/66/37/1311906637.db2.gz PILHSXLVCRPEJR-STQMWFEESA-N -1 1 331.328 2.607 20 5 EFBDMM O=c1[n-]cnc(O[C@H]2CC[C@@H](OCc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228141307 1311906671 /nfs/dbraw/zinc/90/66/71/1311906671.db2.gz PILHSXLVCRPEJR-OLZOCXBDSA-N -1 1 331.328 2.607 20 5 EFBDMM CCOC(=O)c1cnc(=S)[n-]c1O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001228551041 1311963865 /nfs/dbraw/zinc/96/38/65/1311963865.db2.gz BYLLYGAZFNZXBH-SECBINFHSA-N -1 1 349.368 2.990 20 5 EFBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1O[C@H]1COc2cnccc21 ZINC001228859697 1312010955 /nfs/dbraw/zinc/01/09/55/1312010955.db2.gz NQPUPTLPRTZGML-VIFPVBQESA-N -1 1 343.217 2.622 20 5 EFBDMM Cc1c([C@@H](C)Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])cnn1C ZINC001228861144 1312011556 /nfs/dbraw/zinc/01/15/56/1312011556.db2.gz DAPCPQSDKGKODZ-SSDOTTSWSA-N -1 1 346.265 2.896 20 5 EFBDMM CCOC(=O)[C@@H](C)[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F ZINC001229398214 1312088899 /nfs/dbraw/zinc/08/88/99/1312088899.db2.gz ROOIZWNRHXWXFA-CPCISQLKSA-N -1 1 337.250 2.809 20 5 EFBDMM COC(=O)[C@H](Cc1ccccc1)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229749506 1312132959 /nfs/dbraw/zinc/13/29/59/1312132959.db2.gz BPRQJTKPKUCMQE-INIZCTEOSA-N -1 1 331.324 2.772 20 5 EFBDMM O=c1oc2cc([O-])ccc2c2cc(O[C@H]3CCCOC3)c(O)cc12 ZINC001229802133 1312143074 /nfs/dbraw/zinc/14/30/74/1312143074.db2.gz HLMCVAQDCWXZGM-NSHDSACASA-N -1 1 328.320 2.915 20 5 EFBDMM COC(=O)c1c[n-]c(O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)n1 ZINC001230281608 1312215355 /nfs/dbraw/zinc/21/53/55/1312215355.db2.gz BDHFNFPVSVERHE-JTQLQIEISA-N -1 1 345.233 2.787 20 5 EFBDMM COc1ccccc1OC[C@H](C)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231263821 1312467258 /nfs/dbraw/zinc/46/72/58/1312467258.db2.gz MHPGSTCYDDCYHH-NSHDSACASA-N -1 1 334.328 2.859 20 5 EFBDMM COc1cccc2c1[C@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])CCO2 ZINC001231264422 1312468016 /nfs/dbraw/zinc/46/80/16/1312468016.db2.gz QSVLWUKRGSPFRL-CYBMUJFWSA-N -1 1 332.312 2.915 20 5 EFBDMM O=C([N-]CCNc1ncnc2cc3ccccc3cc21)C(F)(F)F ZINC001164245037 1312476944 /nfs/dbraw/zinc/47/69/44/1312476944.db2.gz QRSPOFIVOXXNSS-UHFFFAOYSA-N -1 1 334.301 2.873 20 5 EFBDMM O=C([N-]CCNc1ccc([N+](=O)[O-])c2ccccc12)C(F)(F)F ZINC001164251117 1312478706 /nfs/dbraw/zinc/47/87/06/1312478706.db2.gz LUULLOUSLYBHPM-UHFFFAOYSA-N -1 1 327.262 2.838 20 5 EFBDMM Cc1ccc(C(=O)c2cc([O-])c(OC3CC(O)C3)c([N+](=O)[O-])c2)cc1 ZINC001218256967 1315172077 /nfs/dbraw/zinc/17/20/77/1315172077.db2.gz HFGGRHOMOSPDHR-UHFFFAOYSA-N -1 1 343.335 2.742 20 5 EFBDMM Cc1ccc(C(=O)c2cc([O-])c(O[C@H]3C[C@H](O)C3)c([N+](=O)[O-])c2)cc1 ZINC001218359818 1315184838 /nfs/dbraw/zinc/18/48/38/1315184838.db2.gz HFGGRHOMOSPDHR-HDJSIYSDSA-N -1 1 343.335 2.742 20 5 EFBDMM O=[N+]([O-])c1cc([O-])cc(-c2nc3cc(N4CCOCC4)ccc3[nH]2)c1 ZINC001251389408 1315345524 /nfs/dbraw/zinc/34/55/24/1315345524.db2.gz KFKNNQFFEDMFSW-UHFFFAOYSA-N -1 1 340.339 2.680 20 5 EFBDMM O=[N+]([O-])c1c([N-]c2cnn(Cc3cccnc3)c2)nc2ccccn21 ZINC001318116699 1328499257 /nfs/dbraw/zinc/49/92/57/1328499257.db2.gz RJHRZIMBEKUAAM-UHFFFAOYSA-N -1 1 335.327 2.626 20 5 EFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](F)C1 ZINC001332119115 1330923613 /nfs/dbraw/zinc/92/36/13/1330923613.db2.gz KZOBABJGDGLDFT-VHSXEESVSA-N -1 1 336.772 2.807 20 5 EFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[C@H](F)C1 ZINC001332119108 1330924020 /nfs/dbraw/zinc/92/40/20/1330924020.db2.gz KZOBABJGDGLDFT-UWVGGRQHSA-N -1 1 336.772 2.807 20 5 EFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCCC(F)F ZINC001332764826 1331019112 /nfs/dbraw/zinc/01/91/12/1331019112.db2.gz ODCXJHAZOFYWJV-UHFFFAOYSA-N -1 1 328.724 2.572 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C/C=C/C2CC2)cc1Cl ZINC001343890266 1332388880 /nfs/dbraw/zinc/38/88/80/1332388880.db2.gz LYAUJYXPOAKMQA-OWOJBTEDSA-N -1 1 334.756 2.632 20 5 EFBDMM Cc1cc([N+](=O)[O-])c(F)c(C(=O)[N-]c2n[nH]c(C(C)C)n2)c1F ZINC001347391843 1332739835 /nfs/dbraw/zinc/73/98/35/1332739835.db2.gz OPGLDUCEVIEWFX-UHFFFAOYSA-N -1 1 325.275 2.675 20 5 EFBDMM CC[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1nccs1 ZINC000736371621 1425698108 /nfs/dbraw/zinc/69/81/08/1425698108.db2.gz XRGSEYOJFSVRQQ-SECBINFHSA-N -1 1 331.361 2.795 20 5 EFBDMM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513135 1428351360 /nfs/dbraw/zinc/35/13/60/1428351360.db2.gz VMKWZBOLKPVRTD-SNVBAGLBSA-N -1 1 339.311 2.693 20 5 EFBDMM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc([N+](=O)[O-])c1 ZINC000822177233 1428720653 /nfs/dbraw/zinc/72/06/53/1428720653.db2.gz WMBPGDBLVWIJKV-UHFFFAOYSA-N -1 1 338.327 2.644 20 5 EFBDMM Cc1cnc([C@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])s1 ZINC000822388836 1428796318 /nfs/dbraw/zinc/79/63/18/1428796318.db2.gz CWQJGRRBCAZWSG-QMMMGPOBSA-N -1 1 331.361 2.713 20 5 EFBDMM Cc1ccccc1C1=CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000826306732 1428930259 /nfs/dbraw/zinc/93/02/59/1428930259.db2.gz JNNKQBJDUBQKKT-UHFFFAOYSA-N -1 1 348.366 2.987 20 5 EFBDMM Cc1nc(Oc2cc(Cl)ccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000822453272 1428933391 /nfs/dbraw/zinc/93/33/91/1428933391.db2.gz GRUFAJNSOWYRRB-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM CC(C)CNc1cc(NCC(C)C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000735839537 1428984132 /nfs/dbraw/zinc/98/41/32/1428984132.db2.gz XNVATBFOGKRXME-UHFFFAOYSA-N -1 1 333.396 2.911 20 5 EFBDMM CCc1ccc(OCc2ccccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000736688308 1429245961 /nfs/dbraw/zinc/24/59/61/1429245961.db2.gz CRXDSODXZQIBHI-UHFFFAOYSA-N -1 1 325.328 2.916 20 5 EFBDMM O=[N+]([O-])c1cccc(CCNc2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000826499615 1423430566 /nfs/dbraw/zinc/43/05/66/1423430566.db2.gz PVTCQSAEJFVTIA-UHFFFAOYSA-N -1 1 346.297 2.708 20 5 EFBDMM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000012808981 1423437516 /nfs/dbraw/zinc/43/75/16/1423437516.db2.gz HKKDHHLEDXPOPX-UHFFFAOYSA-N -1 1 344.718 2.681 20 5 EFBDMM O=[N+]([O-])c1ccc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826498334 1424191160 /nfs/dbraw/zinc/19/11/60/1424191160.db2.gz QBNJPICUYCGQKE-UHFFFAOYSA-N -1 1 336.355 2.554 20 5 EFBDMM O=[N+]([O-])c1ccc(CNC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826498334 1424191162 /nfs/dbraw/zinc/19/11/62/1424191162.db2.gz QBNJPICUYCGQKE-UHFFFAOYSA-N -1 1 336.355 2.554 20 5 EFBDMM CCC[C@@H](NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)c1nnn[n-]1 ZINC000190047343 1424295637 /nfs/dbraw/zinc/29/56/37/1424295637.db2.gz KTBUVTQMVUDGRT-GFCCVEGCSA-N -1 1 332.364 2.503 20 5 EFBDMM C[C@H](CN(C)c1c(Cl)cc([N+](=O)[O-])cc1Cl)c1nnn[n-]1 ZINC000129852627 1424444453 /nfs/dbraw/zinc/44/44/53/1424444453.db2.gz RSUQWUMYOYUMJK-ZCFIWIBFSA-N -1 1 331.163 2.655 20 5 EFBDMM C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824619205 1424543443 /nfs/dbraw/zinc/54/34/43/1424543443.db2.gz UYJFKLKVBIVOEO-SNVBAGLBSA-N -1 1 342.334 2.765 20 5 EFBDMM C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824619205 1424543447 /nfs/dbraw/zinc/54/34/47/1424543447.db2.gz UYJFKLKVBIVOEO-SNVBAGLBSA-N -1 1 342.334 2.765 20 5 EFBDMM C[C@@H]1CC[C@H](C)N1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824907042 1424993821 /nfs/dbraw/zinc/99/38/21/1424993821.db2.gz GUGNFNNIUHVUOX-AOOOYVTPSA-N -1 1 339.359 2.700 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCC[C@@H]1CCCC[C@H]1O ZINC000823630472 1425125496 /nfs/dbraw/zinc/12/54/96/1425125496.db2.gz XIUFNGRBKQQDOB-XHDPSFHLSA-N -1 1 346.391 2.518 20 5 EFBDMM CCc1ccc(Oc2nnc(C)c(C)c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000736690387 1425152253 /nfs/dbraw/zinc/15/22/53/1425152253.db2.gz KBJZWCDDZLCAFQ-UHFFFAOYSA-N -1 1 341.331 2.536 20 5 EFBDMM CC1(C)C[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C(C)(C)O1 ZINC000824789626 1425172892 /nfs/dbraw/zinc/17/28/92/1425172892.db2.gz ILIKVIKAPYTVND-LBPRGKRZSA-N -1 1 332.364 2.533 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CCC[C@H]2c2cccnc2)c(-c2nn[n-]n2)c1 ZINC000826499011 1425320043 /nfs/dbraw/zinc/32/00/43/1425320043.db2.gz ROPNVXMLUTUEDD-AWEZNQCLSA-N -1 1 337.343 2.511 20 5 EFBDMM COc1ccc(CNc2ccc([N+](=O)[O-])c(C)c2)cc1-c1nnn[n-]1 ZINC000826203692 1425813415 /nfs/dbraw/zinc/81/34/15/1425813415.db2.gz BOCFIPKFBWBNRX-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCc2cccc(F)c21 ZINC000823630276 1426199210 /nfs/dbraw/zinc/19/92/10/1426199210.db2.gz VIYDLKZNZQWFRC-UHFFFAOYSA-N -1 1 326.291 2.608 20 5 EFBDMM CCS[C@@H]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821446888 1426854026 /nfs/dbraw/zinc/85/40/26/1426854026.db2.gz FFOLCZJEGUWWRL-ZYHUDNBSSA-N -1 1 348.432 2.885 20 5 EFBDMM O=C(CCC1CC1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826405921 1426964563 /nfs/dbraw/zinc/96/45/63/1426964563.db2.gz ZMYFRVVMTLFUNV-UHFFFAOYSA-N -1 1 336.739 2.557 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000823620576 1427144431 /nfs/dbraw/zinc/14/44/31/1427144431.db2.gz MSCURGCFIGTBCY-QJPTWQEYSA-N -1 1 343.391 2.941 20 5 EFBDMM CCC1(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CC1 ZINC000825164824 1427402435 /nfs/dbraw/zinc/40/24/35/1427402435.db2.gz KAAUBXFUZZPCSP-UHFFFAOYSA-N -1 1 336.739 2.557 20 5 EFBDMM CN(Cc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821610759 1427570672 /nfs/dbraw/zinc/57/06/72/1427570672.db2.gz DFCJNZZKYBLAEH-UHFFFAOYSA-N -1 1 346.297 2.690 20 5 EFBDMM O=[N+]([O-])c1c(F)cccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823630041 1427678152 /nfs/dbraw/zinc/67/81/52/1427678152.db2.gz QHPADJGTPVWHFF-UHFFFAOYSA-N -1 1 332.270 2.665 20 5 EFBDMM CCc1ccc([C@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000821482115 1427841835 /nfs/dbraw/zinc/84/18/35/1427841835.db2.gz QLFZYGWYGSPJPM-JTQLQIEISA-N -1 1 339.359 2.905 20 5 EFBDMM Cc1nc([C@@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cs1 ZINC000737470640 1429808060 /nfs/dbraw/zinc/80/80/60/1429808060.db2.gz KAPGNHHBGWQQFK-SSDOTTSWSA-N -1 1 331.361 2.713 20 5 EFBDMM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000821109152 1429867421 /nfs/dbraw/zinc/86/74/21/1429867421.db2.gz AEEFEAAFKMISBV-UHFFFAOYSA-N -1 1 339.359 2.587 20 5 EFBDMM C[C@@H](CCc1ccccc1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820254543 1429878050 /nfs/dbraw/zinc/87/80/50/1429878050.db2.gz QYNSGQQCHHCMAP-NSHDSACASA-N -1 1 339.359 2.603 20 5 EFBDMM Cc1ccc(-c2nnn[n-]2)cc1OCc1cccc([N+](=O)[O-])c1C ZINC000822221351 1430066591 /nfs/dbraw/zinc/06/65/91/1430066591.db2.gz LKENRPHDVGRFFH-UHFFFAOYSA-N -1 1 325.328 2.971 20 5 EFBDMM CCc1ccc(OC(=O)c2cc(-c3nnn[n-]3)cs2)c([N+](=O)[O-])c1 ZINC000821487844 1430075171 /nfs/dbraw/zinc/07/51/71/1430075171.db2.gz ZADAGJMLRWOPFX-UHFFFAOYSA-N -1 1 345.340 2.618 20 5 EFBDMM Cc1cnc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000822394514 1430169117 /nfs/dbraw/zinc/16/91/17/1430169117.db2.gz BXHAGFACNXWZKN-SNVBAGLBSA-N -1 1 325.332 2.651 20 5 EFBDMM O=[N+]([O-])c1ccc(SCc2cccc(-c3nn[n-]n3)c2F)nc1 ZINC000826499467 1441700813 /nfs/dbraw/zinc/70/08/13/1441700813.db2.gz JTCGNZRIJAZBGO-UHFFFAOYSA-N -1 1 332.320 2.601 20 5 EFBDMM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000824669527 1441821325 /nfs/dbraw/zinc/82/13/25/1441821325.db2.gz DLJITZFQXCLEOS-QMMMGPOBSA-N -1 1 345.750 2.996 20 5 EFBDMM C[C@@H]1CC(C)(C)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820648599 1441866726 /nfs/dbraw/zinc/86/67/26/1441866726.db2.gz CUJNPNYMXBMQPK-BXKDBHETSA-N -1 1 331.380 2.797 20 5 EFBDMM O=[N+]([O-])c1cnc(N2CCc3ccc(Cl)cc32)c(-c2nnn[n-]2)c1 ZINC000738370987 1442016531 /nfs/dbraw/zinc/01/65/31/1442016531.db2.gz ZOHXPSUMJZVFTH-UHFFFAOYSA-N -1 1 343.734 2.518 20 5 EFBDMM COc1cc(NCc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])cc1F ZINC000821724086 1442077809 /nfs/dbraw/zinc/07/78/09/1442077809.db2.gz PMUNKFJAGDIURQ-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM Cc1cc(-c2nn[n-]n2)ccc1Oc1ncc([N+](=O)[O-])cc1Cl ZINC000737221518 1442150891 /nfs/dbraw/zinc/15/08/91/1442150891.db2.gz NJIRATQJFUPUIQ-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM CCS[C@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821455636 1442210530 /nfs/dbraw/zinc/21/05/30/1442210530.db2.gz KVMFVFKBYIXMGN-ONGXEEELSA-N -1 1 349.420 2.646 20 5 EFBDMM CC(C)CC1(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCC1 ZINC000820062195 1442340208 /nfs/dbraw/zinc/34/02/08/1442340208.db2.gz JGUBPAXGCIAGKO-UHFFFAOYSA-N -1 1 331.380 2.798 20 5 EFBDMM COc1cc(NCc2ccc(-c3nnn[n-]3)cc2)c(F)cc1[N+](=O)[O-] ZINC000826180396 1442357992 /nfs/dbraw/zinc/35/79/92/1442357992.db2.gz FUHSJIOIRCYSRI-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM CSCc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000737182632 1443072811 /nfs/dbraw/zinc/07/28/11/1443072811.db2.gz SPCUWFAAFYINRL-UHFFFAOYSA-N -1 1 343.372 2.777 20 5 EFBDMM O=[N+]([O-])c1ccc(Oc2cc(F)cc([N+](=O)[O-])c2)c(-c2nnn[n-]2)c1 ZINC000823634914 1443403754 /nfs/dbraw/zinc/40/37/54/1443403754.db2.gz OBRRZEZPRZPVEO-UHFFFAOYSA-N -1 1 346.234 2.615 20 5 EFBDMM O=[N+]([O-])c1ccc(SCc2cc(F)ccc2-c2nn[n-]n2)nc1 ZINC000823645583 1443412886 /nfs/dbraw/zinc/41/28/86/1443412886.db2.gz UHGDPGCINWORLX-UHFFFAOYSA-N -1 1 332.320 2.601 20 5 EFBDMM O=[N+]([O-])c1ccc(CSc2ccc(-c3nnn[n-]3)cn2)c(F)c1 ZINC000823639625 1443483603 /nfs/dbraw/zinc/48/36/03/1443483603.db2.gz DWNCEAXETCSGEK-UHFFFAOYSA-N -1 1 332.320 2.601 20 5 EFBDMM Cc1cccc(Oc2snc(Cl)c2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000826300823 1443564712 /nfs/dbraw/zinc/56/47/12/1443564712.db2.gz HRKGQCUOUAJWSO-UHFFFAOYSA-N -1 1 338.736 2.986 20 5 EFBDMM C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Cc1cccs1 ZINC000820280513 1443649328 /nfs/dbraw/zinc/64/93/28/1443649328.db2.gz IGMSAKDEVUSINF-VIFPVBQESA-N -1 1 345.388 2.522 20 5 EFBDMM Cc1ccc2c(c1)[C@H](Nc1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])CC2 ZINC000822275026 1443651837 /nfs/dbraw/zinc/65/18/37/1443651837.db2.gz NMHWJLOGKJLMJF-CYBMUJFWSA-N -1 1 337.343 2.578 20 5 EFBDMM C[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000820770174 1443767236 /nfs/dbraw/zinc/76/72/36/1443767236.db2.gz ZFSMVIMDFFPYLK-ZBEGNZNMSA-N -1 1 336.355 2.972 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000821846500 1443785672 /nfs/dbraw/zinc/78/56/72/1443785672.db2.gz SSNTXPQBYJOSIN-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM CC[C@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820989566 1444011314 /nfs/dbraw/zinc/01/13/14/1444011314.db2.gz WJTHWDNHUFRUEF-JTQLQIEISA-N -1 1 339.359 2.559 20 5 EFBDMM C[C@H](CCc1ccccc1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820254541 1446288222 /nfs/dbraw/zinc/28/82/22/1446288222.db2.gz QYNSGQQCHHCMAP-LLVKDONJSA-N -1 1 339.359 2.603 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(Oc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000826293139 1446346147 /nfs/dbraw/zinc/34/61/47/1446346147.db2.gz CEPIMCHSFPQIHU-UHFFFAOYSA-N -1 1 338.736 2.986 20 5 EFBDMM CC(C)[C@H]1OCCC[C@H]1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820043490 1446415583 /nfs/dbraw/zinc/41/55/83/1446415583.db2.gz AHJKWUDHGUVDJY-SWLSCSKDSA-N -1 1 346.391 2.638 20 5 EFBDMM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@@H]1C ZINC000820727083 1446514159 /nfs/dbraw/zinc/51/41/59/1446514159.db2.gz GLZXTPKYZAZYBT-NXEZZACHSA-N -1 1 339.359 2.558 20 5 EFBDMM COc1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000737053709 1446623130 /nfs/dbraw/zinc/62/31/30/1446623130.db2.gz KZGAEGDWVMBVEU-JTQLQIEISA-N -1 1 340.343 2.957 20 5 EFBDMM Cc1cc(OCc2ccc(F)cc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000737280390 1446625712 /nfs/dbraw/zinc/62/57/12/1446625712.db2.gz RLLPYGQVLZPSFE-UHFFFAOYSA-N -1 1 329.291 2.801 20 5 EFBDMM COc1ccc(CNc2cccc(F)c2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826203857 1446691979 /nfs/dbraw/zinc/69/19/79/1446691979.db2.gz JIIVGIAJTZDULI-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM CCOc1cc(NCc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000821401039 1446918598 /nfs/dbraw/zinc/91/85/98/1446918598.db2.gz SQIBGSDZBQATBM-UHFFFAOYSA-N -1 1 340.343 2.786 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CCS[C@@H]3CCCC[C@H]32)c(-c2nnn[n-]2)c1 ZINC000823639920 1447197086 /nfs/dbraw/zinc/19/70/86/1447197086.db2.gz LXFLJASRCFWMLM-ZIAGYGMSSA-N -1 1 346.416 2.639 20 5 EFBDMM CCS[C@@H]1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821446681 1449019666 /nfs/dbraw/zinc/01/96/66/1449019666.db2.gz CHHBANJITVSUGZ-VXGBXAGGSA-N -1 1 348.432 2.885 20 5 EFBDMM Cc1ccc(OCc2ccc(F)c(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000822262857 1449164912 /nfs/dbraw/zinc/16/49/12/1449164912.db2.gz FSSNUMZWRDABCH-UHFFFAOYSA-N -1 1 329.291 2.801 20 5 EFBDMM Cc1ccnc(N[C@H](C)c2ccccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826311697 1449443407 /nfs/dbraw/zinc/44/34/07/1449443407.db2.gz LJFDKMXNFZDSQL-SNVBAGLBSA-N -1 1 325.332 2.651 20 5 EFBDMM C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513117 1449503298 /nfs/dbraw/zinc/50/32/98/1449503298.db2.gz VDFKQRATNBSZEI-SNVBAGLBSA-N -1 1 339.311 2.693 20 5 EFBDMM C[C@@H]1CCC[C@H](CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820697440 1449719585 /nfs/dbraw/zinc/71/95/85/1449719585.db2.gz HICTZTADRHXWPH-GHMZBOCLSA-N -1 1 331.380 2.798 20 5 EFBDMM Cc1c(NCc2cccc(-c3nnn[n-]3)c2F)cccc1[N+](=O)[O-] ZINC000826242575 1449805137 /nfs/dbraw/zinc/80/51/37/1449805137.db2.gz VHSFEXYCJXIWDA-UHFFFAOYSA-N -1 1 328.307 2.835 20 5 EFBDMM CC[C@@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])C1CCCCC1 ZINC000820925488 1450261391 /nfs/dbraw/zinc/26/13/91/1450261391.db2.gz IZJRURZTKWBTFC-GFCCVEGCSA-N -1 1 331.380 2.941 20 5 EFBDMM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cccc([N+](=O)[O-])c1 ZINC000736633571 1450500100 /nfs/dbraw/zinc/50/01/00/1450500100.db2.gz AJSREDRSZKZIEE-UHFFFAOYSA-N -1 1 340.343 2.786 20 5 EFBDMM C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513116 1450525624 /nfs/dbraw/zinc/52/56/24/1450525624.db2.gz VDFKQRATNBSZEI-JTQLQIEISA-N -1 1 339.311 2.693 20 5 EFBDMM Cc1oc(-c2cnn(C)c2)nc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000176877016 716907564 /nfs/dbraw/zinc/90/75/64/716907564.db2.gz VMTRUAWLZSSYKV-UHFFFAOYSA-N -1 1 345.290 2.683 20 5 EFBDMM Cc1ccc(F)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC000179624673 717816525 /nfs/dbraw/zinc/81/65/25/717816525.db2.gz JINWATBOMKXNRG-UHFFFAOYSA-N -1 1 328.296 2.982 20 5 EFBDMM CC(C)(CCC(=O)Nc1cccc([O-])c1Br)[N+](=O)[O-] ZINC000908707906 727248867 /nfs/dbraw/zinc/24/88/67/727248867.db2.gz OUUCBFUZLFYZFB-UHFFFAOYSA-N -1 1 331.166 2.929 20 5 EFBDMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1 ZINC000031667268 727283021 /nfs/dbraw/zinc/28/30/21/727283021.db2.gz PDLUXAXHTTUTLS-UHFFFAOYSA-N -1 1 341.776 2.940 20 5 EFBDMM CC(=O)Nc1nc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)cs1 ZINC000172723759 728603144 /nfs/dbraw/zinc/60/31/44/728603144.db2.gz ZAZRXUMBQWPQMP-UHFFFAOYSA-N -1 1 342.283 2.540 20 5 EFBDMM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC12CCC2 ZINC001576214254 950664788 /nfs/dbraw/zinc/66/47/88/950664788.db2.gz NZEQWEMANQEUGB-SECBINFHSA-N -1 1 334.405 2.853 20 5 EFBDMM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC12CCC2 ZINC001576214254 950664793 /nfs/dbraw/zinc/66/47/93/950664793.db2.gz NZEQWEMANQEUGB-SECBINFHSA-N -1 1 334.405 2.853 20 5 EFBDMM C[C@](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001589131540 956197631 /nfs/dbraw/zinc/19/76/31/956197631.db2.gz SAEPAUBDVDUEAX-MRXNPFEDSA-N -1 1 345.311 2.593 20 5 EFBDMM O=C([O-])[C@@H]1CCCCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903697047 956886947 /nfs/dbraw/zinc/88/69/47/956886947.db2.gz GIFKJOXALILNFQ-LBPRGKRZSA-N -1 1 343.177 2.796 20 5 EFBDMM O=C([O-])C[C@H]1CCCN1Cc1cccc([N+](=O)[O-])c1Br ZINC000300487686 963013717 /nfs/dbraw/zinc/01/37/17/963013717.db2.gz NBIGGWSEUHXJRV-SNVBAGLBSA-N -1 1 343.177 2.796 20 5 EFBDMM C[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000903700407 981015225 /nfs/dbraw/zinc/01/52/25/981015225.db2.gz AQMFZCVFINEPML-RKDXNWHRSA-N -1 1 343.177 2.510 20 5 EFBDMM CCc1n[nH]c(Sc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])n1 ZINC001597736461 989088531 /nfs/dbraw/zinc/08/85/31/989088531.db2.gz XZGOQDZDDQWFQF-UHFFFAOYSA-N -1 1 328.737 2.778 20 5 EFBDMM CN(C)c1ccccc1CN[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001598342418 991412778 /nfs/dbraw/zinc/41/27/78/991412778.db2.gz MRCUHGLTEGFZRO-SFHVURJKSA-N -1 1 343.383 2.750 20 5 EFBDMM C[C@@H](N[C@@H]1CCCn2nc(C(=O)[O-])cc21)c1cccc([N+](=O)[O-])c1 ZINC001593220900 994317526 /nfs/dbraw/zinc/31/75/26/994317526.db2.gz WHOPWIILEKUBMD-ZWNOBZJWSA-N -1 1 330.344 2.675 20 5 EFBDMM C[C@@H](N[C@H]1CCCn2nc(C(=O)[O-])cc21)c1cccc([N+](=O)[O-])c1 ZINC001593220899 994317694 /nfs/dbraw/zinc/31/76/94/994317694.db2.gz WHOPWIILEKUBMD-MFKMUULPSA-N -1 1 330.344 2.675 20 5 EFBDMM C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1OCC(=O)[O-] ZINC001593298054 994709987 /nfs/dbraw/zinc/70/99/87/994709987.db2.gz CZDWBYLKQWZHDD-GFCCVEGCSA-N -1 1 330.340 2.909 20 5 EFBDMM C[C@](NCc1ccc([N+](=O)[O-])c(F)c1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593299870 994725336 /nfs/dbraw/zinc/72/53/36/994725336.db2.gz XDVCYDKRCOSGTJ-MRXNPFEDSA-N -1 1 336.294 2.963 20 5 EFBDMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])Cc2ccccc21 ZINC001576362925 1089145478 /nfs/dbraw/zinc/14/54/78/1089145478.db2.gz CWWIMLBNUKIWHN-LLVKDONJSA-N -1 1 336.355 2.899 20 5 EFBDMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])Cc2ccccc21 ZINC001576362925 1089145487 /nfs/dbraw/zinc/14/54/87/1089145487.db2.gz CWWIMLBNUKIWHN-LLVKDONJSA-N -1 1 336.355 2.899 20 5 EFBDMM C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccc([N+](=O)[O-])cc1 ZINC001580308050 1090856790 /nfs/dbraw/zinc/85/67/90/1090856790.db2.gz DJJNQQVUPCUYHY-MRVPVSSYSA-N -1 1 345.750 2.996 20 5 EFBDMM C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccc([N+](=O)[O-])cc1 ZINC001580308050 1090856799 /nfs/dbraw/zinc/85/67/99/1090856799.db2.gz DJJNQQVUPCUYHY-MRVPVSSYSA-N -1 1 345.750 2.996 20 5 EFBDMM Cc1cc(Cl)nc(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001580930739 1091044887 /nfs/dbraw/zinc/04/48/87/1091044887.db2.gz IKZLSKQGSXDYEC-UHFFFAOYSA-N -1 1 345.750 2.744 20 5 EFBDMM Cc1cc(Cl)nc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001580930739 1091044892 /nfs/dbraw/zinc/04/48/92/1091044892.db2.gz IKZLSKQGSXDYEC-UHFFFAOYSA-N -1 1 345.750 2.744 20 5 EFBDMM Cc1cccc2cc(Oc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cnc12 ZINC001581251339 1091106702 /nfs/dbraw/zinc/10/67/02/1091106702.db2.gz YVLYCBUTTRQFKT-UHFFFAOYSA-N -1 1 349.310 2.819 20 5 EFBDMM Cc1cccc2cc(Oc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)cnc12 ZINC001581251339 1091106704 /nfs/dbraw/zinc/10/67/04/1091106704.db2.gz YVLYCBUTTRQFKT-UHFFFAOYSA-N -1 1 349.310 2.819 20 5 EFBDMM O=[N+]([O-])c1c(N[C@@H]2C[C@H]2c2ccsc2)cccc1-c1nnn[n-]1 ZINC001582801900 1091667179 /nfs/dbraw/zinc/66/71/79/1091667179.db2.gz HANPMOKACLDOPB-CMPLNLGQSA-N -1 1 328.357 2.804 20 5 EFBDMM O=[N+]([O-])c1c(N[C@@H]2C[C@H]2c2ccsc2)cccc1-c1nn[n-]n1 ZINC001582801900 1091667184 /nfs/dbraw/zinc/66/71/84/1091667184.db2.gz HANPMOKACLDOPB-CMPLNLGQSA-N -1 1 328.357 2.804 20 5 EFBDMM CC(C)(C)[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCO1 ZINC001589099593 1093030134 /nfs/dbraw/zinc/03/01/34/1093030134.db2.gz PGVDTQDMRMYIGT-BXUZGUMPSA-N -1 1 346.391 2.781 20 5 EFBDMM CC(C)(C)C1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001589105063 1093031371 /nfs/dbraw/zinc/03/13/71/1093031371.db2.gz NSMPWWJRPZVEBO-UHFFFAOYSA-N -1 1 345.407 2.620 20 5 EFBDMM CC(C)(C)C1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001589105063 1093031377 /nfs/dbraw/zinc/03/13/77/1093031377.db2.gz NSMPWWJRPZVEBO-UHFFFAOYSA-N -1 1 345.407 2.620 20 5 EFBDMM CC(C)(C)OC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001589199083 1093046819 /nfs/dbraw/zinc/04/68/19/1093046819.db2.gz VYZJZOJREVLDET-GFCCVEGCSA-N -1 1 346.391 2.559 20 5 EFBDMM CC(C)(C)c1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])o1 ZINC001589227551 1093054335 /nfs/dbraw/zinc/05/43/35/1093054335.db2.gz ZLJHRNJODQPVEM-UHFFFAOYSA-N -1 1 343.347 2.673 20 5 EFBDMM CC(C)(C)c1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])o1 ZINC001589227551 1093054341 /nfs/dbraw/zinc/05/43/41/1093054341.db2.gz ZLJHRNJODQPVEM-UHFFFAOYSA-N -1 1 343.347 2.673 20 5 EFBDMM CC(C)O[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1(C)C ZINC001589738979 1093131454 /nfs/dbraw/zinc/13/14/54/1093131454.db2.gz BDKUFFKTBHNZLZ-KGLIPLIRSA-N -1 1 346.391 2.779 20 5 EFBDMM CC(C)c1c[nH]c(Sc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC001589764936 1093137589 /nfs/dbraw/zinc/13/75/89/1093137589.db2.gz GRTVMDUSDAESRE-UHFFFAOYSA-N -1 1 331.361 2.773 20 5 EFBDMM CC(C)c1c[nH]c(Sc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC001589764936 1093137594 /nfs/dbraw/zinc/13/75/94/1093137594.db2.gz GRTVMDUSDAESRE-UHFFFAOYSA-N -1 1 331.361 2.773 20 5 EFBDMM C[C@@H](CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1nccs1 ZINC001589875178 1093162394 /nfs/dbraw/zinc/16/23/94/1093162394.db2.gz AYZHQXUWYJASBD-LURJTMIESA-N -1 1 337.390 2.509 20 5 EFBDMM C[C@@H](CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1nccs1 ZINC001589875178 1093162400 /nfs/dbraw/zinc/16/24/00/1093162400.db2.gz AYZHQXUWYJASBD-LURJTMIESA-N -1 1 337.390 2.509 20 5 EFBDMM C[C@H](c1cccc(O)c1)N(C)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590050999 1093245982 /nfs/dbraw/zinc/24/59/82/1093245982.db2.gz KNCTXGMMWVBIDF-MRVPVSSYSA-N -1 1 346.372 2.739 20 5 EFBDMM C[C@H](c1cccc(O)c1)N(C)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590050999 1093245984 /nfs/dbraw/zinc/24/59/84/1093245984.db2.gz KNCTXGMMWVBIDF-MRVPVSSYSA-N -1 1 346.372 2.739 20 5 EFBDMM CC1(C)C[C@H](CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C(C)(C)O1 ZINC001590080450 1093253159 /nfs/dbraw/zinc/25/31/59/1093253159.db2.gz MROHZVUKDVSOJN-SNVBAGLBSA-N -1 1 346.391 2.781 20 5 EFBDMM CC1(C)CCC[C@@](O)(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001590095608 1093267582 /nfs/dbraw/zinc/26/75/82/1093267582.db2.gz BFBVAFCXFYUUEO-INIZCTEOSA-N -1 1 346.391 2.518 20 5 EFBDMM C[C@]1(CCNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C[C@]1(F)Cl ZINC001590126552 1093277613 /nfs/dbraw/zinc/27/76/13/1093277613.db2.gz FNMFDHOCJLKJKH-WDEREUQCSA-N -1 1 346.775 2.953 20 5 EFBDMM C[C@]1(CCNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C[C@]1(F)Cl ZINC001590126552 1093277619 /nfs/dbraw/zinc/27/76/19/1093277619.db2.gz FNMFDHOCJLKJKH-WDEREUQCSA-N -1 1 346.775 2.953 20 5 EFBDMM C[C@@]1(c2ccccc2)C[C@@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590151931 1093284463 /nfs/dbraw/zinc/28/44/63/1093284463.db2.gz MDFMPQICKZULQG-WFASDCNBSA-N -1 1 342.384 2.979 20 5 EFBDMM C[C@@]1(c2ccccc2)C[C@@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590151931 1093284470 /nfs/dbraw/zinc/28/44/70/1093284470.db2.gz MDFMPQICKZULQG-WFASDCNBSA-N -1 1 342.384 2.979 20 5 EFBDMM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC12CCC2 ZINC001590274460 1093356150 /nfs/dbraw/zinc/35/61/50/1093356150.db2.gz LJSGGNASPRQUGC-LLVKDONJSA-N -1 1 328.376 2.791 20 5 EFBDMM CC[C@@H](Nc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)[C@@H]1CCCCO1 ZINC001590471293 1093443982 /nfs/dbraw/zinc/44/39/82/1093443982.db2.gz BFEUCHGOBUEFLR-KGLIPLIRSA-N -1 1 346.391 2.843 20 5 EFBDMM CC[C@@H](Nc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)[C@@H]1CCCCO1 ZINC001590471293 1093443986 /nfs/dbraw/zinc/44/39/86/1093443986.db2.gz BFEUCHGOBUEFLR-KGLIPLIRSA-N -1 1 346.391 2.843 20 5 EFBDMM CC[C@H](Nc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)[C@H]1CCCCO1 ZINC001590471294 1093444126 /nfs/dbraw/zinc/44/41/26/1093444126.db2.gz BFEUCHGOBUEFLR-UONOGXRCSA-N -1 1 346.391 2.843 20 5 EFBDMM CC[C@H](Nc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)[C@H]1CCCCO1 ZINC001590471294 1093444130 /nfs/dbraw/zinc/44/41/30/1093444130.db2.gz BFEUCHGOBUEFLR-UONOGXRCSA-N -1 1 346.391 2.843 20 5 EFBDMM CC[C@@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC001590472937 1093445833 /nfs/dbraw/zinc/44/58/33/1093445833.db2.gz XCCBGMINWSXKOT-SCZZXKLOSA-N -1 1 338.393 2.596 20 5 EFBDMM CC[C@@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC001590472937 1093445840 /nfs/dbraw/zinc/44/58/40/1093445840.db2.gz XCCBGMINWSXKOT-SCZZXKLOSA-N -1 1 338.393 2.596 20 5 EFBDMM CCC1(CC)[C@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C[C@@H]1OC ZINC001590492656 1093453667 /nfs/dbraw/zinc/45/36/67/1093453667.db2.gz SOMHWZIBNPCIJA-KGLIPLIRSA-N -1 1 346.391 2.781 20 5 EFBDMM CCC1(CC)[C@H](OC)C[C@@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590492659 1093454089 /nfs/dbraw/zinc/45/40/89/1093454089.db2.gz SOMHWZIBNPCIJA-UONOGXRCSA-N -1 1 346.391 2.781 20 5 EFBDMM CCC1(CC)[C@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C[C@H]1OC ZINC001590492662 1093454346 /nfs/dbraw/zinc/45/43/46/1093454346.db2.gz SOMHWZIBNPCIJA-ZIAGYGMSSA-N -1 1 346.391 2.781 20 5 EFBDMM CCO[C@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C12CCC2 ZINC001590795675 1093575849 /nfs/dbraw/zinc/57/58/49/1093575849.db2.gz YWSUNJNVGJYIHC-OLZOCXBDSA-N -1 1 344.375 2.535 20 5 EFBDMM CCO[C@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C12CCC2 ZINC001590795675 1093575855 /nfs/dbraw/zinc/57/58/55/1093575855.db2.gz YWSUNJNVGJYIHC-OLZOCXBDSA-N -1 1 344.375 2.535 20 5 EFBDMM CCOc1cccc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)c1 ZINC001590840976 1093595196 /nfs/dbraw/zinc/59/51/96/1093595196.db2.gz BMOQDCOEWBOCKW-UHFFFAOYSA-N -1 1 340.343 2.786 20 5 EFBDMM CCOc1cccc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)c1 ZINC001590840976 1093595202 /nfs/dbraw/zinc/59/52/02/1093595202.db2.gz BMOQDCOEWBOCKW-UHFFFAOYSA-N -1 1 340.343 2.786 20 5 EFBDMM CCc1cc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1F ZINC001590883932 1093613598 /nfs/dbraw/zinc/61/35/98/1093613598.db2.gz UJUROOPUYCHMLV-UHFFFAOYSA-N -1 1 329.295 2.615 20 5 EFBDMM CCc1cc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1F ZINC001590883932 1093613606 /nfs/dbraw/zinc/61/36/06/1093613606.db2.gz UJUROOPUYCHMLV-UHFFFAOYSA-N -1 1 329.295 2.615 20 5 EFBDMM CCc1csc([C@@H](C)Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)n1 ZINC001590902880 1093627867 /nfs/dbraw/zinc/62/78/67/1093627867.db2.gz XRVCUHPKJOTXAD-MRVPVSSYSA-N -1 1 345.388 2.967 20 5 EFBDMM CN(CCc1cccs1)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591122469 1093664294 /nfs/dbraw/zinc/66/42/94/1093664294.db2.gz DYDRFIRQDVZQGI-UHFFFAOYSA-N -1 1 330.373 2.515 20 5 EFBDMM CN(CCc1cccs1)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591122469 1093664299 /nfs/dbraw/zinc/66/42/99/1093664299.db2.gz DYDRFIRQDVZQGI-UHFFFAOYSA-N -1 1 330.373 2.515 20 5 EFBDMM COC1(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCC(C)CC1 ZINC001591342094 1093698227 /nfs/dbraw/zinc/69/82/27/1093698227.db2.gz ALVSECYVTMMPBU-UHFFFAOYSA-N -1 1 346.391 2.782 20 5 EFBDMM COC1(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCC(C)CC1 ZINC001591342094 1093698230 /nfs/dbraw/zinc/69/82/30/1093698230.db2.gz ALVSECYVTMMPBU-UHFFFAOYSA-N -1 1 346.391 2.782 20 5 EFBDMM COCc1ccc(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC001591456163 1093724976 /nfs/dbraw/zinc/72/49/76/1093724976.db2.gz GRZSJPZHPMGNSP-UHFFFAOYSA-N -1 1 340.343 2.533 20 5 EFBDMM COCc1ccc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC001591456163 1093724977 /nfs/dbraw/zinc/72/49/77/1093724977.db2.gz GRZSJPZHPMGNSP-UHFFFAOYSA-N -1 1 340.343 2.533 20 5 EFBDMM COCc1ccc(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cc1 ZINC001591456759 1093728077 /nfs/dbraw/zinc/72/80/77/1093728077.db2.gz UZXJCFKEHZUZGL-UHFFFAOYSA-N -1 1 346.372 2.595 20 5 EFBDMM COCc1ccc(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cc1 ZINC001591456759 1093728083 /nfs/dbraw/zinc/72/80/83/1093728083.db2.gz UZXJCFKEHZUZGL-UHFFFAOYSA-N -1 1 346.372 2.595 20 5 EFBDMM COc1cccc([C@H](C)Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)c1 ZINC001591634121 1093808142 /nfs/dbraw/zinc/80/81/42/1093808142.db2.gz ZYVMYUJCXHOEEA-JTQLQIEISA-N -1 1 340.343 2.957 20 5 EFBDMM COc1cccc([C@H](C)Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)c1 ZINC001591634121 1093808150 /nfs/dbraw/zinc/80/81/50/1093808150.db2.gz ZYVMYUJCXHOEEA-JTQLQIEISA-N -1 1 340.343 2.957 20 5 EFBDMM CS[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001591689469 1093824142 /nfs/dbraw/zinc/82/41/42/1093824142.db2.gz FEDLHSDFXGGBGP-MWLCHTKSSA-N -1 1 334.405 2.861 20 5 EFBDMM CSCC1CCC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001591697552 1093829282 /nfs/dbraw/zinc/82/92/82/1093829282.db2.gz MUHNOXWBLCRCIS-UHFFFAOYSA-N -1 1 349.420 2.504 20 5 EFBDMM CSCC1CCC(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001591697552 1093829284 /nfs/dbraw/zinc/82/92/84/1093829284.db2.gz MUHNOXWBLCRCIS-UHFFFAOYSA-N -1 1 349.420 2.504 20 5 EFBDMM CS[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591702714 1093834190 /nfs/dbraw/zinc/83/41/90/1093834190.db2.gz SYMJGIWQTLOHKZ-DGCLKSJQSA-N -1 1 334.405 2.861 20 5 EFBDMM C[C@@H](OC(=O)c1ccsc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC001591732970 1093846146 /nfs/dbraw/zinc/84/61/46/1093846146.db2.gz QJLBTVLHJUFNHZ-MRVPVSSYSA-N -1 1 345.340 2.754 20 5 EFBDMM C[C@@H](OC(=O)c1ccsc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC001591732970 1093846158 /nfs/dbraw/zinc/84/61/58/1093846158.db2.gz QJLBTVLHJUFNHZ-MRVPVSSYSA-N -1 1 345.340 2.754 20 5 EFBDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1cccc(O)c1 ZINC001591730085 1093846706 /nfs/dbraw/zinc/84/67/06/1093846706.db2.gz RWNOEZYSQCDQBD-SECBINFHSA-N -1 1 326.316 2.654 20 5 EFBDMM Cc1cc(C)c([C@H](C)n2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)c(C)c1 ZINC001591948041 1093928275 /nfs/dbraw/zinc/92/82/75/1093928275.db2.gz XZOBDSRPOOCJEK-NSHDSACASA-N -1 1 327.348 2.506 20 5 EFBDMM Cc1cc(N2CCC(F)(C3CC3)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592000699 1093951623 /nfs/dbraw/zinc/95/16/23/1093951623.db2.gz CDGGDGOESPKPDX-UHFFFAOYSA-N -1 1 346.366 2.802 20 5 EFBDMM Cc1cc(N2CCC(F)(C3CC3)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592000699 1093951627 /nfs/dbraw/zinc/95/16/27/1093951627.db2.gz CDGGDGOESPKPDX-UHFFFAOYSA-N -1 1 346.366 2.802 20 5 EFBDMM Cc1cc(N2CCC[C@H](C3CC3)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592003757 1093952792 /nfs/dbraw/zinc/95/27/92/1093952792.db2.gz JFKXREQDKJDJQG-LBPRGKRZSA-N -1 1 328.376 2.710 20 5 EFBDMM Cc1cc(N2CCC[C@H](C3CC3)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592003757 1093952794 /nfs/dbraw/zinc/95/27/94/1093952794.db2.gz JFKXREQDKJDJQG-LBPRGKRZSA-N -1 1 328.376 2.710 20 5 EFBDMM Cc1cc(NC2C[C@H]3CC[C@@H](C2)S3)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592036619 1093964063 /nfs/dbraw/zinc/96/40/63/1093964063.db2.gz PSCULMPPWBWVHW-YOGCLGLASA-N -1 1 346.416 2.922 20 5 EFBDMM Cc1cc(NC2C[C@H]3CC[C@@H](C2)S3)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592036619 1093964067 /nfs/dbraw/zinc/96/40/67/1093964067.db2.gz PSCULMPPWBWVHW-YOGCLGLASA-N -1 1 346.416 2.922 20 5 EFBDMM Cc1cc(NC2CC3(CC3(F)F)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592036380 1093964219 /nfs/dbraw/zinc/96/42/19/1093964219.db2.gz LGEKRECJEUJILM-UHFFFAOYSA-N -1 1 336.302 2.683 20 5 EFBDMM Cc1cc(NC2CC3(CC3(F)F)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592036380 1093964222 /nfs/dbraw/zinc/96/42/22/1093964222.db2.gz LGEKRECJEUJILM-UHFFFAOYSA-N -1 1 336.302 2.683 20 5 EFBDMM Cc1cc(NC[C@@H]2CCC3(CCC3)O2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592044965 1093964821 /nfs/dbraw/zinc/96/48/21/1093964821.db2.gz UPYXBASEAVRVOJ-LBPRGKRZSA-N -1 1 344.375 2.597 20 5 EFBDMM Cc1cc(NC[C@@H]2CCC3(CCC3)O2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592044965 1093964825 /nfs/dbraw/zinc/96/48/25/1093964825.db2.gz UPYXBASEAVRVOJ-LBPRGKRZSA-N -1 1 344.375 2.597 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001592198033 1094025096 /nfs/dbraw/zinc/02/50/96/1094025096.db2.gz UREDSQMFRWOQOF-UHFFFAOYSA-N -1 1 344.356 2.706 20 5 EFBDMM Cc1cccc(CN(C)c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])c1 ZINC001592230358 1094041625 /nfs/dbraw/zinc/04/16/25/1094041625.db2.gz SFJJCVSWYBNJMX-UHFFFAOYSA-N -1 1 330.373 2.781 20 5 EFBDMM Cc1cccc(CN(C)c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])c1 ZINC001592230358 1094041632 /nfs/dbraw/zinc/04/16/32/1094041632.db2.gz SFJJCVSWYBNJMX-UHFFFAOYSA-N -1 1 330.373 2.781 20 5 EFBDMM Cc1csc(Sc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])n1 ZINC001592323887 1094077560 /nfs/dbraw/zinc/07/75/60/1094077560.db2.gz IAXLWZJXZMQQBG-UHFFFAOYSA-N -1 1 326.388 2.753 20 5 EFBDMM Cc1csc(Sc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])n1 ZINC001592323887 1094077565 /nfs/dbraw/zinc/07/75/65/1094077565.db2.gz IAXLWZJXZMQQBG-UHFFFAOYSA-N -1 1 326.388 2.753 20 5 EFBDMM Cc1nn(Cc2ccc(-c3nn[n-]n3)s2)c2ccc([N+](=O)[O-])cc12 ZINC001592438016 1094104734 /nfs/dbraw/zinc/10/47/34/1094104734.db2.gz PUONFXIOXXZKHP-UHFFFAOYSA-N -1 1 341.356 2.543 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC(Cc2ccsc2)C1 ZINC001593466906 1094309350 /nfs/dbraw/zinc/30/93/50/1094309350.db2.gz OUSRJGKPULLJDF-UHFFFAOYSA-N -1 1 342.384 2.515 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC(Cc2ccsc2)C1 ZINC001593466906 1094309356 /nfs/dbraw/zinc/30/93/56/1094309356.db2.gz OUSRJGKPULLJDF-UHFFFAOYSA-N -1 1 342.384 2.515 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC=C(c2ccccc2)C1 ZINC001593467539 1094311479 /nfs/dbraw/zinc/31/14/79/1094311479.db2.gz ZWCNAJCPWDVTFO-UHFFFAOYSA-N -1 1 334.339 2.679 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC=C(c2ccccc2)C1 ZINC001593467539 1094311483 /nfs/dbraw/zinc/31/14/83/1094311483.db2.gz ZWCNAJCPWDVTFO-UHFFFAOYSA-N -1 1 334.339 2.679 20 5 EFBDMM O=[N+]([O-])c1c(Oc2cccc(-n3ccnc3)c2)cccc1-c1nn[n-]n1 ZINC001593469114 1094312911 /nfs/dbraw/zinc/31/29/11/1094312911.db2.gz NYXWUURJQUNFAN-UHFFFAOYSA-N -1 1 349.310 2.753 20 5 EFBDMM O=[N+]([O-])c1cc(N2CC3CC2(c2ccccc2)C3)ccc1-c1nn[n-]n1 ZINC001593470705 1094313969 /nfs/dbraw/zinc/31/39/69/1094313969.db2.gz HYANPCBETLMZGZ-UHFFFAOYSA-N -1 1 348.366 2.900 20 5 EFBDMM O=[N+]([O-])c1cc(N2CCC[C@@H]2c2ccncc2)ccc1-c1nn[n-]n1 ZINC001593470669 1094314262 /nfs/dbraw/zinc/31/42/62/1094314262.db2.gz HDDYJOCMNDEMOM-CQSZACIVSA-N -1 1 337.343 2.511 20 5 EFBDMM O=[N+]([O-])c1cc(NC[C@H]2CCCC3(CCC3)O2)ccc1-c1nn[n-]n1 ZINC001593473551 1094317053 /nfs/dbraw/zinc/31/70/53/1094317053.db2.gz HSMGJTKKLWLJBY-GFCCVEGCSA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1cc(N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)ccc1-c1nn[n-]n1 ZINC001593473478 1094318291 /nfs/dbraw/zinc/31/82/91/1094318291.db2.gz DSXFHGQAQULCOA-ONOSFVFSSA-N -1 1 336.302 2.621 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCCc2cccc(F)c2)cc1-c1nnn[n-]1 ZINC001593477937 1094322178 /nfs/dbraw/zinc/32/21/78/1094322178.db2.gz KXANNJNCDHTECP-UHFFFAOYSA-N -1 1 342.334 2.959 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCCc2cccc(F)c2)cc1-c1nn[n-]n1 ZINC001593477937 1094322187 /nfs/dbraw/zinc/32/21/87/1094322187.db2.gz KXANNJNCDHTECP-UHFFFAOYSA-N -1 1 342.334 2.959 20 5 EFBDMM O=[N+]([O-])c1ccc(NCC(F)(F)c2ccccc2)cc1-c1nnn[n-]1 ZINC001593478352 1094324003 /nfs/dbraw/zinc/32/40/03/1094324003.db2.gz UGQWMXCYQHKSEL-UHFFFAOYSA-N -1 1 346.297 2.979 20 5 EFBDMM O=[N+]([O-])c1ccc(NCC(F)(F)c2ccccc2)cc1-c1nn[n-]n1 ZINC001593478352 1094324014 /nfs/dbraw/zinc/32/40/14/1094324014.db2.gz UGQWMXCYQHKSEL-UHFFFAOYSA-N -1 1 346.297 2.979 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1Oc1cccc([N+](=O)[O-])c1 ZINC001593484305 1094329864 /nfs/dbraw/zinc/32/98/64/1094329864.db2.gz URTMPIARJRLFKC-UHFFFAOYSA-N -1 1 334.273 2.537 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1Oc1cccc([N+](=O)[O-])c1 ZINC001593484305 1094329873 /nfs/dbraw/zinc/32/98/73/1094329873.db2.gz URTMPIARJRLFKC-UHFFFAOYSA-N -1 1 334.273 2.537 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001593487271 1094330771 /nfs/dbraw/zinc/33/07/71/1094330771.db2.gz BBMLVEGAAKDRSV-QYNIQEEDSA-N -1 1 342.331 2.682 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001593487271 1094330777 /nfs/dbraw/zinc/33/07/77/1094330777.db2.gz BBMLVEGAAKDRSV-QYNIQEEDSA-N -1 1 342.331 2.682 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCCCOC1CCCC1 ZINC001593489104 1094331263 /nfs/dbraw/zinc/33/12/63/1094331263.db2.gz WBBMOYVLMZAJHL-UHFFFAOYSA-N -1 1 338.393 2.598 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCCCOC1CCCC1 ZINC001593489104 1094331269 /nfs/dbraw/zinc/33/12/69/1094331269.db2.gz WBBMOYVLMZAJHL-UHFFFAOYSA-N -1 1 338.393 2.598 20 5 EFBDMM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@@H]3CC3[N+](=O)[O-])ccc2n1C1CC1 ZINC001599985329 1094702018 /nfs/dbraw/zinc/70/20/18/1094702018.db2.gz CXJOOSJKXOOIFF-TZMCWYRMSA-N -1 1 344.323 2.553 20 5 EFBDMM Cc1c(C(=O)[O-])cc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)n1C ZINC001599994115 1094706773 /nfs/dbraw/zinc/70/67/73/1094706773.db2.gz ORMQEMYUOPZEKZ-UHFFFAOYSA-N -1 1 337.763 2.883 20 5 EFBDMM Cc1cc(CNCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)ccc1F ZINC001600209386 1094882856 /nfs/dbraw/zinc/88/28/56/1094882856.db2.gz KQKXZWPRYQXXGL-UHFFFAOYSA-N -1 1 348.330 2.796 20 5 EFBDMM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC001600372157 1095011383 /nfs/dbraw/zinc/01/13/83/1095011383.db2.gz PMDMDHHFQMUOLD-OAHLLOKOSA-N -1 1 344.323 2.555 20 5 EFBDMM Cc1ccc2nc(-c3ccc(OCC(=O)[O-])c([N+](=O)[O-])c3)[nH]c2c1 ZINC001600501930 1095116766 /nfs/dbraw/zinc/11/67/66/1095116766.db2.gz ONTZHFKBTDNMAV-UHFFFAOYSA-N -1 1 327.296 2.910 20 5 EFBDMM O=C([O-])[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1ccc2c(c1)CCO2 ZINC001601674333 1095805377 /nfs/dbraw/zinc/80/53/77/1095805377.db2.gz FTHORZOZNOJVRL-INIZCTEOSA-N -1 1 346.314 2.584 20 5 EFBDMM O=C([O-])C[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)c2ccccc21 ZINC001601960200 1095994572 /nfs/dbraw/zinc/99/45/72/1095994572.db2.gz XNHVBDSHWHHQEU-NSHDSACASA-N -1 1 342.307 2.519 20 5 EFBDMM O=C([O-])c1c(Cl)c(N[C@@H]2CC[N@@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC001602232726 1096129000 /nfs/dbraw/zinc/12/90/00/1096129000.db2.gz KWGXKUPECPGBAL-SNVBAGLBSA-N -1 1 339.779 2.843 20 5 EFBDMM O=C([O-])c1c(Cl)c(N[C@H]2CC[N@@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC001602232725 1096129732 /nfs/dbraw/zinc/12/97/32/1096129732.db2.gz KWGXKUPECPGBAL-JTQLQIEISA-N -1 1 339.779 2.843 20 5 EFBDMM O=C([O-])c1cc(Oc2ccccc2)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001602290299 1096163100 /nfs/dbraw/zinc/16/31/00/1096163100.db2.gz LLRSKMLNECORIM-UKRRQHHQSA-N -1 1 342.307 2.781 20 5 EFBDMM O=C([O-])c1ccc(OC(=O)c2[nH]nc3c2CCCCC3)cc1[N+](=O)[O-] ZINC001602386721 1096218242 /nfs/dbraw/zinc/21/82/42/1096218242.db2.gz RVYIAKDHTQJLLB-UHFFFAOYSA-N -1 1 345.311 2.504 20 5 EFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCOCC3(CCCC3)C2)c1 ZINC001602404150 1096223809 /nfs/dbraw/zinc/22/38/09/1096223809.db2.gz RVRQTTCXRNVWHW-UHFFFAOYSA-N -1 1 334.372 2.686 20 5 EFBDMM O=C([O-])c1ccccc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001602468756 1096262466 /nfs/dbraw/zinc/26/24/66/1096262466.db2.gz LPRVBVDRJDJYGE-UHFFFAOYSA-N -1 1 341.367 2.615 20 5 EFBDMM CC(C)(C)O[C@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001603104624 1096443892 /nfs/dbraw/zinc/44/38/92/1096443892.db2.gz QOJBBLPKUJJBJT-AOOOYVTPSA-N -1 1 332.364 2.533 20 5 EFBDMM CC(C)(C)O[C@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001603104624 1096443896 /nfs/dbraw/zinc/44/38/96/1096443896.db2.gz QOJBBLPKUJJBJT-AOOOYVTPSA-N -1 1 332.364 2.533 20 5 EFBDMM CC(C)[C@@H]1OCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603253905 1096487165 /nfs/dbraw/zinc/48/71/65/1096487165.db2.gz RJGLYJDFFAMRKB-ABAIWWIYSA-N -1 1 346.391 2.638 20 5 EFBDMM C[C@@](CC(=O)[O-])(NCc1ccc(F)cc1[N+](=O)[O-])c1ccncc1 ZINC001604091585 1096729702 /nfs/dbraw/zinc/72/97/02/1096729702.db2.gz SSAXICAOYXCKQL-INIZCTEOSA-N -1 1 333.319 2.609 20 5 EFBDMM C[C@@](NCc1cc(F)ccc1[N+](=O)[O-])(C(=O)[O-])c1ccc(F)cc1 ZINC001604340667 1096820945 /nfs/dbraw/zinc/82/09/45/1096820945.db2.gz DPSZOYSZSVMWDJ-INIZCTEOSA-N -1 1 336.294 2.963 20 5 EFBDMM C[C@H](Oc1ccccc1CNCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001604443404 1096857800 /nfs/dbraw/zinc/85/78/00/1096857800.db2.gz OCOFJPLQPCOLLX-LBPRGKRZSA-N -1 1 330.340 2.737 20 5 EFBDMM COc1cc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)ccc1C ZINC001605219421 1097055954 /nfs/dbraw/zinc/05/59/54/1097055954.db2.gz DBICVPBRZXUJIW-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM COc1cc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)ccc1C ZINC001605219421 1097055958 /nfs/dbraw/zinc/05/59/58/1097055958.db2.gz DBICVPBRZXUJIW-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM CS[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001605370310 1097107478 /nfs/dbraw/zinc/10/74/78/1097107478.db2.gz VGOVEWDCYMXLAY-LBPRGKRZSA-N -1 1 336.421 2.965 20 5 EFBDMM CS[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001605370310 1097107479 /nfs/dbraw/zinc/10/74/79/1097107479.db2.gz VGOVEWDCYMXLAY-LBPRGKRZSA-N -1 1 336.421 2.965 20 5 EFBDMM Cc1c(Oc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC001605500815 1097139669 /nfs/dbraw/zinc/13/96/69/1097139669.db2.gz WRECXGNGUFYABI-UHFFFAOYSA-N -1 1 342.271 2.784 20 5 EFBDMM Cc1c(Oc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC001605500815 1097139671 /nfs/dbraw/zinc/13/96/71/1097139671.db2.gz WRECXGNGUFYABI-UHFFFAOYSA-N -1 1 342.271 2.784 20 5 EFBDMM Cc1cc(N2CC3(CCC3)C[C@@H]2C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605692254 1097196169 /nfs/dbraw/zinc/19/61/69/1097196169.db2.gz VVYWIMZBJVQDNN-NSHDSACASA-N -1 1 328.376 2.852 20 5 EFBDMM Cc1cc(N2CC3(CCC3)C[C@@H]2C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605692254 1097196171 /nfs/dbraw/zinc/19/61/71/1097196171.db2.gz VVYWIMZBJVQDNN-NSHDSACASA-N -1 1 328.376 2.852 20 5 EFBDMM Cc1cc(NCC[C@@H]2CCO[C@@H](C)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605731287 1097209133 /nfs/dbraw/zinc/20/91/33/1097209133.db2.gz VDNGZWHKSRTEJH-NWDGAFQWSA-N -1 1 346.391 2.700 20 5 EFBDMM Cc1cc(NCC[C@@H]2CCO[C@@H](C)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605731287 1097209137 /nfs/dbraw/zinc/20/91/37/1097209137.db2.gz VDNGZWHKSRTEJH-NWDGAFQWSA-N -1 1 346.391 2.700 20 5 EFBDMM CCc1cccc(CNCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001605828798 1097241204 /nfs/dbraw/zinc/24/12/04/1097241204.db2.gz NIJRXBGASPNNFL-UHFFFAOYSA-N -1 1 344.367 2.910 20 5 EFBDMM Cc1ccc(COC(=O)c2sccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605858603 1097255907 /nfs/dbraw/zinc/25/59/07/1097255907.db2.gz GIWVSAJCKBVVET-UHFFFAOYSA-N -1 1 345.340 2.502 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1Oc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001605884530 1097265075 /nfs/dbraw/zinc/26/50/75/1097265075.db2.gz LARUHRBTXLYLNG-UHFFFAOYSA-N -1 1 348.300 2.845 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1Oc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001605884530 1097265079 /nfs/dbraw/zinc/26/50/79/1097265079.db2.gz LARUHRBTXLYLNG-UHFFFAOYSA-N -1 1 348.300 2.845 20 5 EFBDMM Cc1ccsc1CCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001605968052 1097288688 /nfs/dbraw/zinc/28/86/88/1097288688.db2.gz BCQHUBWHWZAOEI-UHFFFAOYSA-N -1 1 336.402 2.861 20 5 EFBDMM Cc1ccsc1CCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001605968052 1097288692 /nfs/dbraw/zinc/28/86/92/1097288692.db2.gz BCQHUBWHWZAOEI-UHFFFAOYSA-N -1 1 336.402 2.861 20 5 EFBDMM O=[N+]([O-])c1c(NCCCOC2CCCC2)cccc1-c1nnn[n-]1 ZINC001607077678 1097505513 /nfs/dbraw/zinc/50/55/13/1097505513.db2.gz CLYVZXPVGAFFFG-UHFFFAOYSA-N -1 1 332.364 2.536 20 5 EFBDMM O=[N+]([O-])c1c(NCCCOC2CCCC2)cccc1-c1nn[n-]n1 ZINC001607077678 1097505519 /nfs/dbraw/zinc/50/55/19/1097505519.db2.gz CLYVZXPVGAFFFG-UHFFFAOYSA-N -1 1 332.364 2.536 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1SCCC(F)(F)F ZINC001607077112 1097505926 /nfs/dbraw/zinc/50/59/26/1097505926.db2.gz HGVAHUNOZORZIE-UHFFFAOYSA-N -1 1 337.258 2.959 20 5 EFBDMM O=[N+]([O-])c1c(NCCc2cccc(F)c2F)cccc1-c1nnn[n-]1 ZINC001607078106 1097506693 /nfs/dbraw/zinc/50/66/93/1097506693.db2.gz JYQHLUJTUKSXFI-UHFFFAOYSA-N -1 1 346.297 2.708 20 5 EFBDMM O=[N+]([O-])c1c(NCCc2cccc(F)c2F)cccc1-c1nn[n-]n1 ZINC001607078106 1097506698 /nfs/dbraw/zinc/50/66/98/1097506698.db2.gz JYQHLUJTUKSXFI-UHFFFAOYSA-N -1 1 346.297 2.708 20 5 EFBDMM O=[N+]([O-])c1c(N[C@@H]2C[C@@H]2Cc2ccccc2)cccc1-c1nnn[n-]1 ZINC001607077950 1097507312 /nfs/dbraw/zinc/50/73/12/1097507312.db2.gz HQTYBJUGMAOSAD-SWLSCSKDSA-N -1 1 336.355 2.818 20 5 EFBDMM O=[N+]([O-])c1c(N[C@@H]2C[C@@H]2Cc2ccccc2)cccc1-c1nn[n-]n1 ZINC001607077950 1097507316 /nfs/dbraw/zinc/50/73/16/1097507316.db2.gz HQTYBJUGMAOSAD-SWLSCSKDSA-N -1 1 336.355 2.818 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CC[C@H](C3CCCC3)C2)cc1-c1nnn[n-]1 ZINC001607081105 1097508231 /nfs/dbraw/zinc/50/82/31/1097508231.db2.gz BXDFUCSQPSIEPC-LBPRGKRZSA-N -1 1 328.376 2.791 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CC[C@H](C3CCCC3)C2)cc1-c1nn[n-]n1 ZINC001607081105 1097508237 /nfs/dbraw/zinc/50/82/37/1097508237.db2.gz BXDFUCSQPSIEPC-LBPRGKRZSA-N -1 1 328.376 2.791 20 5 EFBDMM O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC001607083474 1097509909 /nfs/dbraw/zinc/50/99/09/1097509909.db2.gz HUBNRYWJESZBGS-HNNXBMFYSA-N -1 1 336.355 2.722 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1Oc1ccc(F)cc1F ZINC001607088328 1097511233 /nfs/dbraw/zinc/51/12/33/1097511233.db2.gz LKQYDTQDXGPKCJ-UHFFFAOYSA-N -1 1 325.256 2.907 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1Oc1ccc(F)cc1F ZINC001607088328 1097511240 /nfs/dbraw/zinc/51/12/40/1097511240.db2.gz LKQYDTQDXGPKCJ-UHFFFAOYSA-N -1 1 325.256 2.907 20 5 EFBDMM COc1cc(CN[C@@H](C(=O)[O-])c2ccccc2)c([N+](=O)[O-])cc1F ZINC001607164460 1097548758 /nfs/dbraw/zinc/54/87/58/1097548758.db2.gz WEVLSGHMZASBBU-OAHLLOKOSA-N -1 1 334.303 2.658 20 5 EFBDMM COc1ccc([C@H](NCc2ccc(F)cc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC001607234985 1097568802 /nfs/dbraw/zinc/56/88/02/1097568802.db2.gz RIWHVTXDVMTFDS-HNNXBMFYSA-N -1 1 334.303 2.658 20 5 EFBDMM O=C([O-])[C@]12CCC[C@H]1N(Cc1c(F)cc([N+](=O)[O-])cc1F)CC2 ZINC001608824851 1098034249 /nfs/dbraw/zinc/03/42/49/1098034249.db2.gz DPDATKMFYHSBDN-HIFRSBDPSA-N -1 1 326.299 2.702 20 5 EFBDMM CC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC001609067067 1098128863 /nfs/dbraw/zinc/12/88/63/1098128863.db2.gz MSRVMCNTAIICMJ-UHFFFAOYSA-N -1 1 325.284 2.770 20 5 EFBDMM C[C@H](CCc1ccco1)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609112232 1098152423 /nfs/dbraw/zinc/15/24/23/1098152423.db2.gz YKLSFJNJWAMBAQ-SNVBAGLBSA-N -1 1 328.332 2.801 20 5 EFBDMM CC1(CC(F)(F)F)CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001609148652 1098169466 /nfs/dbraw/zinc/16/94/66/1098169466.db2.gz GNVLRQWPTSUMCH-UHFFFAOYSA-N -1 1 342.281 2.554 20 5 EFBDMM C[C@@H]1CCC[C@@H](CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])[C@H]1C ZINC001609162855 1098176028 /nfs/dbraw/zinc/17/60/28/1098176028.db2.gz LNOAMCTWVQWOHT-VWYCJHECSA-N -1 1 331.380 2.654 20 5 EFBDMM C[C@@H]1CCC[C@@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])[C@H]1C ZINC001609162855 1098176034 /nfs/dbraw/zinc/17/60/34/1098176034.db2.gz LNOAMCTWVQWOHT-VWYCJHECSA-N -1 1 331.380 2.654 20 5 EFBDMM C[C@@H]1c2ccsc2CCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609180230 1098184525 /nfs/dbraw/zinc/18/45/25/1098184525.db2.gz IGPBLIGHOSPJAT-SECBINFHSA-N -1 1 342.384 2.960 20 5 EFBDMM COC1(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCCCC1 ZINC001609312251 1098244765 /nfs/dbraw/zinc/24/47/65/1098244765.db2.gz YQFGBRXYFHYIBX-UHFFFAOYSA-N -1 1 332.364 2.536 20 5 EFBDMM O=[N+]([O-])c1c(NCCC[C@@H]2CCCCO2)cccc1-c1nnn[n-]1 ZINC001609599860 1098393737 /nfs/dbraw/zinc/39/37/37/1098393737.db2.gz FDVAGQRWORFVSD-NSHDSACASA-N -1 1 332.364 2.536 20 5 EFBDMM O=[N+]([O-])c1c(NCCC[C@@H]2CCCCO2)cccc1-c1nn[n-]n1 ZINC001609599860 1098393741 /nfs/dbraw/zinc/39/37/41/1098393741.db2.gz FDVAGQRWORFVSD-NSHDSACASA-N -1 1 332.364 2.536 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCCC2(CCCC2)C1 ZINC001609599692 1098394825 /nfs/dbraw/zinc/39/48/25/1098394825.db2.gz VVXKUYNSQCJDIQ-UHFFFAOYSA-N -1 1 328.376 2.936 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCCC2(CCCC2)C1 ZINC001609599692 1098394831 /nfs/dbraw/zinc/39/48/31/1098394831.db2.gz VVXKUYNSQCJDIQ-UHFFFAOYSA-N -1 1 328.376 2.936 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCSC2(CCC2)CC1 ZINC001609599442 1098394874 /nfs/dbraw/zinc/39/48/74/1098394874.db2.gz CISGZEUOOKERNT-UHFFFAOYSA-N -1 1 346.416 2.641 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCSC2(CCC2)CC1 ZINC001609599442 1098394879 /nfs/dbraw/zinc/39/48/79/1098394879.db2.gz CISGZEUOOKERNT-UHFFFAOYSA-N -1 1 346.416 2.641 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccccn2)cc1-c1nnn[n-]1 ZINC001609601585 1098395568 /nfs/dbraw/zinc/39/55/68/1098395568.db2.gz PBCLODIIEBAFFB-OAHLLOKOSA-N -1 1 337.343 2.511 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccccn2)cc1-c1nn[n-]n1 ZINC001609601585 1098395572 /nfs/dbraw/zinc/39/55/72/1098395572.db2.gz PBCLODIIEBAFFB-OAHLLOKOSA-N -1 1 337.343 2.511 20 5 EFBDMM O=[N+]([O-])c1ccc(NCc2ccc3ccccc3n2)cc1-c1nnn[n-]1 ZINC001609602284 1098396549 /nfs/dbraw/zinc/39/65/49/1098396549.db2.gz VLNAGDWYAOYGAM-UHFFFAOYSA-N -1 1 347.338 2.935 20 5 EFBDMM O=[N+]([O-])c1ccc(NCc2ccc3ccccc3n2)cc1-c1nn[n-]n1 ZINC001609602284 1098396551 /nfs/dbraw/zinc/39/65/51/1098396551.db2.gz VLNAGDWYAOYGAM-UHFFFAOYSA-N -1 1 347.338 2.935 20 5 EFBDMM CCn1ccc(CN(C)Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001610084890 1098543889 /nfs/dbraw/zinc/54/38/89/1098543889.db2.gz MGXRIJGRVFSJNV-UHFFFAOYSA-N -1 1 347.371 2.512 20 5 EFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC001610840058 1098927513 /nfs/dbraw/zinc/92/75/13/1098927513.db2.gz IVVRVESDCGCMMR-WBVHZDCISA-N -1 1 342.351 2.601 20 5 EFBDMM Nc1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cc1[N+](=O)[O-] ZINC000780369037 1101658334 /nfs/dbraw/zinc/65/83/34/1101658334.db2.gz DBDOYTZGBVNSLX-UHFFFAOYSA-N -1 1 343.311 2.915 20 5 EFBDMM Nc1cc(Br)cnc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210392382 1102551303 /nfs/dbraw/zinc/55/13/03/1102551303.db2.gz CITFCRZXZOPTHJ-UHFFFAOYSA-N -1 1 325.122 2.784 20 5 EFBDMM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000189906606 237389033 /nfs/dbraw/zinc/38/90/33/237389033.db2.gz UGFFDGAKFPNADY-SMDDNHRTSA-N -1 1 327.340 2.714 20 5 EFBDMM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193588701 240222794 /nfs/dbraw/zinc/22/27/94/240222794.db2.gz JXRGRRBTEQHQJL-FZMZJTMJSA-N -1 1 327.340 2.714 20 5 EFBDMM O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445014610 283979744 /nfs/dbraw/zinc/97/97/44/283979744.db2.gz XHKIZPRCUAGXHK-PSASIEDQSA-N -1 1 347.293 2.794 20 5 EFBDMM O=C(N[C@@H]1CCc2sc(Cl)cc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000356713363 284122393 /nfs/dbraw/zinc/12/23/93/284122393.db2.gz UHGDXPGRQFQMPI-SECBINFHSA-N -1 1 339.760 2.828 20 5 EFBDMM O=C(N[C@H]1CCc2sc(Cl)cc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000356713367 284242188 /nfs/dbraw/zinc/24/21/88/284242188.db2.gz UHGDXPGRQFQMPI-VIFPVBQESA-N -1 1 339.760 2.828 20 5 EFBDMM CCSc1nnc([N-]C(=O)c2cccc(OC)c2[N+](=O)[O-])s1 ZINC000435645038 249393716 /nfs/dbraw/zinc/39/37/16/249393716.db2.gz KUXGTSBKKGPDTK-UHFFFAOYSA-N -1 1 340.386 2.819 20 5 EFBDMM O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Cl)cc1[O-] ZINC000444630912 250319586 /nfs/dbraw/zinc/31/95/86/250319586.db2.gz JCOLFNMECVSQOE-UHFFFAOYSA-N -1 1 346.730 2.760 20 5 EFBDMM CN(Cc1ccc(Cl)s1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444824874 250353371 /nfs/dbraw/zinc/35/33/71/250353371.db2.gz IJQFLMALCRENRU-UHFFFAOYSA-N -1 1 327.749 2.683 20 5 EFBDMM Cc1ccccc1CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000444862839 250359805 /nfs/dbraw/zinc/35/98/05/250359805.db2.gz WKOZVJNZUHJZCW-UHFFFAOYSA-N -1 1 327.340 2.809 20 5 EFBDMM O=C(NCCCCCc1ccc(F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445220079 250396848 /nfs/dbraw/zinc/39/68/48/250396848.db2.gz ZQCNATVIZSZRRM-UHFFFAOYSA-N -1 1 347.346 2.977 20 5 EFBDMM COc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2C)cc1[N+](=O)[O-] ZINC000005126818 210394293 /nfs/dbraw/zinc/39/42/93/210394293.db2.gz RJMPLZXSVXELQS-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM COCCn1nc(C)c([N-]c2ncc(Cl)cc2[N+](=O)[O-])c1C ZINC000153919495 224176811 /nfs/dbraw/zinc/17/68/11/224176811.db2.gz VCKUJZGICGTGAQ-UHFFFAOYSA-N -1 1 325.756 2.847 20 5 EFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cccs1 ZINC000119493341 221333093 /nfs/dbraw/zinc/33/30/93/221333093.db2.gz CRHSMGBGHHCTBH-UHFFFAOYSA-N -1 1 332.790 2.788 20 5 EFBDMM Cc1ccc(-c2n[nH]c(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)n2)cc1 ZINC000160324032 292033892 /nfs/dbraw/zinc/03/38/92/292033892.db2.gz IWCOPKUPRCGSKC-UHFFFAOYSA-N -1 1 339.311 2.646 20 5 EFBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)nn1-c1cc(C)cc(C)c1 ZINC000347867026 142284229 /nfs/dbraw/zinc/28/42/29/142284229.db2.gz AMCZRARFHYFKEO-UHFFFAOYSA-N -1 1 339.355 2.708 20 5 EFBDMM O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000343552594 145236584 /nfs/dbraw/zinc/23/65/84/145236584.db2.gz BBACAKYHZSYBAM-UHFFFAOYSA-N -1 1 348.746 2.721 20 5 EFBDMM O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000349055227 146043986 /nfs/dbraw/zinc/04/39/86/146043986.db2.gz ILLPZDJAVHPWLD-UKRRQHHQSA-N -1 1 327.340 2.762 20 5 EFBDMM O=C(NC1CC1)c1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000355740581 147050015 /nfs/dbraw/zinc/05/00/15/147050015.db2.gz ZFUMPZATQRCWQU-UHFFFAOYSA-N -1 1 339.311 2.532 20 5 EFBDMM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000355886142 147091107 /nfs/dbraw/zinc/09/11/07/147091107.db2.gz XEMGNMXGCHGERB-UHFFFAOYSA-N -1 1 326.305 2.543 20 5 EFBDMM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)cc1C ZINC000355887406 147091733 /nfs/dbraw/zinc/09/17/33/147091733.db2.gz QBVFUHUMGIAPOS-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cccc(OCC(F)F)n3)no2)[n-]1 ZINC000357939645 147664481 /nfs/dbraw/zinc/66/44/81/147664481.db2.gz AEFNJMBWPJLNNG-UHFFFAOYSA-N -1 1 337.242 2.679 20 5 EFBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000187160560 265088173 /nfs/dbraw/zinc/08/81/73/265088173.db2.gz INFBGGLCQFKOGX-UHFFFAOYSA-N -1 1 326.305 2.543 20 5 EFBDMM O=C(c1cc(Cl)ccc1[O-])N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188541208 265138105 /nfs/dbraw/zinc/13/81/05/265138105.db2.gz SBOPFOGZUFGZMS-UHFFFAOYSA-N -1 1 348.742 2.857 20 5 EFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)cc1[N+](=O)[O-] ZINC000191784461 265276899 /nfs/dbraw/zinc/27/68/99/265276899.db2.gz KFOQLFMQODUWKM-UHFFFAOYSA-N -1 1 346.368 2.889 20 5 EFBDMM CCCN(CCc1cccs1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000194015149 265357657 /nfs/dbraw/zinc/35/76/57/265357657.db2.gz WHZNTEBCLINKQI-UHFFFAOYSA-N -1 1 335.385 2.852 20 5 EFBDMM O=C([N-]CCc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)C(F)F ZINC000272315770 266226097 /nfs/dbraw/zinc/22/60/97/266226097.db2.gz PNFHKWYDRNQAMI-UHFFFAOYSA-N -1 1 328.649 2.807 20 5 EFBDMM CCc1cccc2c1OCC[C@@H]2NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277774123 267259341 /nfs/dbraw/zinc/25/93/41/267259341.db2.gz SPAXCONRRAAGLT-ZDUSSCGKSA-N -1 1 343.339 2.511 20 5 EFBDMM O=C(NCC1(Cc2ccc(F)cc2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278050807 267329492 /nfs/dbraw/zinc/32/94/92/267329492.db2.gz MBJLJPMPYUCNSQ-UHFFFAOYSA-N -1 1 345.330 2.587 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@H]1Cc1ccccc1 ZINC000278265874 267385208 /nfs/dbraw/zinc/38/52/08/267385208.db2.gz XVKNKLIIXBEQON-HNNXBMFYSA-N -1 1 341.367 2.933 20 5 EFBDMM O=C(c1ccc(Cl)cc1[O-])N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188517447 273057826 /nfs/dbraw/zinc/05/78/26/273057826.db2.gz IJEWKPJOTRXVGQ-UHFFFAOYSA-N -1 1 348.742 2.857 20 5 EFBDMM O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000280281059 273310858 /nfs/dbraw/zinc/31/08/58/273310858.db2.gz RNMGVZVGDVPQPQ-BXUZGUMPSA-N -1 1 345.330 2.901 20 5 EFBDMM Cc1ccc([C@@]2(C)CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cc1 ZINC000364419508 278852935 /nfs/dbraw/zinc/85/29/35/278852935.db2.gz QLTJTDJSNWKTDQ-SFHVURJKSA-N -1 1 341.367 2.808 20 5 EFBDMM Cc1ccc2c(c1)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CCC2 ZINC000193780252 281115791 /nfs/dbraw/zinc/11/57/91/281115791.db2.gz RVSMIIXSPKTQHT-CQSZACIVSA-N -1 1 327.340 2.811 20 5 EFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ncccc1Cl ZINC000128621613 293110254 /nfs/dbraw/zinc/11/02/54/293110254.db2.gz FHBHIPNNTUHEPY-UHFFFAOYSA-N -1 1 327.749 2.752 20 5 EFBDMM CC1(C)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)Cc2ccccc2O1 ZINC000290641446 294143387 /nfs/dbraw/zinc/14/33/87/294143387.db2.gz MTFZDNALJAOWIB-UHFFFAOYSA-N -1 1 343.339 2.509 20 5 EFBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000295679231 295359399 /nfs/dbraw/zinc/35/93/99/295359399.db2.gz HXHAEBCFZOLHLF-ZCFIWIBFSA-N -1 1 339.200 2.978 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCSC[C@@H]1c1ccccc1 ZINC000187564095 304590988 /nfs/dbraw/zinc/59/09/88/304590988.db2.gz ITJWMGZXJJANDP-CQSZACIVSA-N -1 1 345.380 2.626 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccncc2F)c1C ZINC000180166954 301861459 /nfs/dbraw/zinc/86/14/59/301861459.db2.gz RYNFXWOHKMEMBR-UHFFFAOYSA-N -1 1 325.321 2.547 20 5 EFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)cc1[N+](=O)[O-] ZINC000171265969 310745377 /nfs/dbraw/zinc/74/53/77/310745377.db2.gz SGLWQXZTMGPXKN-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000298944855 311036607 /nfs/dbraw/zinc/03/66/07/311036607.db2.gz HDZXPNBVUJZFPL-UHFFFAOYSA-N -1 1 330.344 2.704 20 5 EFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCC[C@H]3C2)s1 ZINC000332238727 311476197 /nfs/dbraw/zinc/47/61/97/311476197.db2.gz PPFPCFFYCOYYTF-GARJFASQSA-N -1 1 330.431 2.903 20 5 EFBDMM Cc1nc([N+](=O)[O-])cn1CCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000350814203 311825302 /nfs/dbraw/zinc/82/53/02/311825302.db2.gz KASCSBQPCPQGCA-UHFFFAOYSA-N -1 1 349.734 2.751 20 5 EFBDMM COC[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)[O-] ZINC000417619527 312248726 /nfs/dbraw/zinc/24/87/26/312248726.db2.gz FEWAKUBVGPSMHP-GFCCVEGCSA-N -1 1 336.369 2.513 20 5 EFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1csc2ccccc12 ZINC000525186375 316194936 /nfs/dbraw/zinc/19/49/36/316194936.db2.gz QKAQTOCFYCAXIE-UHFFFAOYSA-N -1 1 349.393 2.683 20 5 EFBDMM Cc1ccc([C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C2CC2)cc1 ZINC000525601677 316221748 /nfs/dbraw/zinc/22/17/48/316221748.db2.gz QDXPIRUZZWPOTK-HNNXBMFYSA-N -1 1 347.396 2.728 20 5 EFBDMM CCC1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCCCC1 ZINC000547280945 317993755 /nfs/dbraw/zinc/99/37/55/317993755.db2.gz VCXYMLIFKNHIJW-UHFFFAOYSA-N -1 1 327.406 2.629 20 5 EFBDMM CC(C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000547387572 318003037 /nfs/dbraw/zinc/00/30/37/318003037.db2.gz CZMKREGHPMZHFK-QWHCGFSZSA-N -1 1 341.433 2.873 20 5 EFBDMM O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000566927941 319123342 /nfs/dbraw/zinc/12/33/42/319123342.db2.gz WLIMURCRPNVZQU-UHFFFAOYSA-N -1 1 338.323 2.872 20 5 EFBDMM CCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000576515410 320022718 /nfs/dbraw/zinc/02/27/18/320022718.db2.gz FBUOOFNUTSOPMD-CQSZACIVSA-N -1 1 349.412 2.680 20 5 EFBDMM Cc1cc(N2CCSC[C@@H](C(=O)[O-])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000577853660 320151166 /nfs/dbraw/zinc/15/11/66/320151166.db2.gz PDDZOKKYUKBKNP-NSHDSACASA-N -1 1 347.396 2.705 20 5 EFBDMM COc1cc(S(=O)(=O)[N-]c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000124367007 473238503 /nfs/dbraw/zinc/23/85/03/473238503.db2.gz CRBUFJRGLGKECX-UHFFFAOYSA-N -1 1 344.295 2.682 20 5 EFBDMM O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1ccc([N+](=O)[O-])[n-]1 ZINC000518034099 468105346 /nfs/dbraw/zinc/10/53/46/468105346.db2.gz CLSNRURBBSRMCF-UHFFFAOYSA-N -1 1 347.331 2.757 20 5 EFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CC2CC2)c1Cl ZINC000144903731 473289125 /nfs/dbraw/zinc/28/91/25/473289125.db2.gz JLAVFVBUMOIXPD-UHFFFAOYSA-N -1 1 325.173 2.590 20 5 EFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1[N+](=O)[O-] ZINC000112850756 473320611 /nfs/dbraw/zinc/32/06/11/473320611.db2.gz LYQSGTCRRQRUPI-UHFFFAOYSA-N -1 1 347.352 2.886 20 5 EFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(Cc2ccccc2)CC1 ZINC000016493969 471939258 /nfs/dbraw/zinc/93/92/58/471939258.db2.gz WNXCBYBLYGYYSD-UHFFFAOYSA-N -1 1 341.367 2.790 20 5 EFBDMM O=[N+]([O-])c1ccc([N-]c2cnn(C[C@H]3CCCO3)c2)c([N+](=O)[O-])c1 ZINC000043272522 472217296 /nfs/dbraw/zinc/21/72/96/472217296.db2.gz SOPAKQFKMJIFHF-GFCCVEGCSA-N -1 1 333.304 2.622 20 5 EFBDMM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000028813021 472238189 /nfs/dbraw/zinc/23/81/89/472238189.db2.gz NHBNKYUMONAASP-UHFFFAOYSA-N -1 1 343.383 2.853 20 5 EFBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC000031534143 472380933 /nfs/dbraw/zinc/38/09/33/472380933.db2.gz ZEODNTVNPONGSQ-UHFFFAOYSA-N -1 1 332.341 2.580 20 5 EFBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ncccc1Cl ZINC000128625893 472477959 /nfs/dbraw/zinc/47/79/59/472477959.db2.gz JWNHNAMCFHFRTA-UHFFFAOYSA-N -1 1 327.749 2.752 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000091054499 472688971 /nfs/dbraw/zinc/68/89/71/472688971.db2.gz JOWAKMUXFQGCGM-UHFFFAOYSA-N -1 1 348.380 2.947 20 5 EFBDMM Cc1nnc([N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000079384086 472854287 /nfs/dbraw/zinc/85/42/87/472854287.db2.gz WERKAFUUQNJXMO-UHFFFAOYSA-N -1 1 343.162 2.770 20 5 EFBDMM CCCCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[nH]n1 ZINC000159964576 473076469 /nfs/dbraw/zinc/07/64/69/473076469.db2.gz UFGLYESIISLIII-UHFFFAOYSA-N -1 1 338.389 2.770 20 5 EFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CC=CCC1 ZINC000123028567 473087446 /nfs/dbraw/zinc/08/74/46/473087446.db2.gz MMWLATIQJUSKDC-SNVBAGLBSA-N -1 1 330.793 2.883 20 5 EFBDMM CC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000185699920 473492087 /nfs/dbraw/zinc/49/20/87/473492087.db2.gz ONDACYCZAGZTCY-GFCCVEGCSA-N -1 1 337.282 2.855 20 5 EFBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)c1C ZINC000126167511 473494797 /nfs/dbraw/zinc/49/47/97/473494797.db2.gz SVKKYUZGOXCJIT-UHFFFAOYSA-N -1 1 338.389 2.859 20 5 EFBDMM O=C(NC1(c2cccc(Cl)c2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185721786 473496577 /nfs/dbraw/zinc/49/65/77/473496577.db2.gz ZFHBMPCCLUJKJV-UHFFFAOYSA-N -1 1 333.731 2.768 20 5 EFBDMM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185810687 473521309 /nfs/dbraw/zinc/52/13/09/473521309.db2.gz BTWIXOSQNHFMRW-VFZGTOFNSA-N -1 1 345.330 2.888 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(CCC(F)(F)F)CC1CC1 ZINC000185816358 473522503 /nfs/dbraw/zinc/52/25/03/473522503.db2.gz VTYGKQRCCXQKLT-UHFFFAOYSA-N -1 1 333.266 2.500 20 5 EFBDMM CCc1cnc(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000281514774 473746694 /nfs/dbraw/zinc/74/66/94/473746694.db2.gz IBSDYIKKFUROKW-UHFFFAOYSA-N -1 1 325.271 2.553 20 5 EFBDMM Cc1cccc(C(C)(C)CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000187040449 473807133 /nfs/dbraw/zinc/80/71/33/473807133.db2.gz RADKGFAMBWXOMV-UHFFFAOYSA-N -1 1 329.356 2.711 20 5 EFBDMM C[C@@]1(Cc2ccccc2)CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000194017904 473829282 /nfs/dbraw/zinc/82/92/82/473829282.db2.gz FHFDURQHZYIGFJ-SFHVURJKSA-N -1 1 341.367 2.933 20 5 EFBDMM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ocnc1C1CC1 ZINC000288483765 473956150 /nfs/dbraw/zinc/95/61/50/473956150.db2.gz SAZQYAMPNWYGBC-UHFFFAOYSA-N -1 1 345.311 2.874 20 5 EFBDMM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000288520599 473968765 /nfs/dbraw/zinc/96/87/65/473968765.db2.gz HUCOORQPYXWLFH-AWEZNQCLSA-N -1 1 345.355 2.927 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCCC[C@H]1c1ccncc1 ZINC000188192850 474014051 /nfs/dbraw/zinc/01/40/51/474014051.db2.gz PXGWGZBCYXXVST-AWEZNQCLSA-N -1 1 342.355 2.848 20 5 EFBDMM Cc1ccccc1CC(C)(C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188396674 474082926 /nfs/dbraw/zinc/08/29/26/474082926.db2.gz SGWCLTOTOQSNRS-UHFFFAOYSA-N -1 1 329.356 2.755 20 5 EFBDMM C[C@H](c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1)N1CCOCC1 ZINC000264768861 474121251 /nfs/dbraw/zinc/12/12/51/474121251.db2.gz NVSMALMTWZQIPN-GFCCVEGCSA-N -1 1 344.371 2.568 20 5 EFBDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000267068742 474581183 /nfs/dbraw/zinc/58/11/83/474581183.db2.gz YSYRTIUIHVCCPT-UHFFFAOYSA-N -1 1 344.371 2.626 20 5 EFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000184844760 474618515 /nfs/dbraw/zinc/61/85/15/474618515.db2.gz LXSNLNFDKBCTGP-UHFFFAOYSA-N -1 1 343.314 2.764 20 5 EFBDMM CS(=O)(=O)[N-]c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000340861351 474727727 /nfs/dbraw/zinc/72/77/27/474727727.db2.gz 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CCc1nc([C@H](C)Nc2ccc(C=CC(=O)[O-])cc2[N+](=O)[O-])n[nH]1 ZINC000833673178 605007415 /nfs/dbraw/zinc/00/74/15/605007415.db2.gz HXIIGBRYTJMPTC-PGBBXKAQSA-N -1 1 331.332 2.546 20 5 EFBDMM Cc1cccc(OCCNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1 ZINC000822327217 606644870 /nfs/dbraw/zinc/64/48/70/606644870.db2.gz DCKDJGFJWRXKQA-UHFFFAOYSA-N -1 1 340.343 2.574 20 5 EFBDMM COCc1ccc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC000821695022 606644910 /nfs/dbraw/zinc/64/49/10/606644910.db2.gz FIYUEVGFBWSSDH-UHFFFAOYSA-N -1 1 340.343 2.533 20 5 EFBDMM Cc1cccc([C@@H](C)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000822289564 606712336 /nfs/dbraw/zinc/71/23/36/606712336.db2.gz ZQOUTEHEKZLOSE-NSHDSACASA-N -1 1 339.359 2.694 20 5 EFBDMM Cc1cccc([C@@H](C)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000822289564 606712338 /nfs/dbraw/zinc/71/23/38/606712338.db2.gz ZQOUTEHEKZLOSE-NSHDSACASA-N -1 1 339.359 2.694 20 5 EFBDMM CCC[C@]1(C)CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821028784 606713265 /nfs/dbraw/zinc/71/32/65/606713265.db2.gz ZTJFOXPGGFAMFK-OAHLLOKOSA-N -1 1 331.380 2.577 20 5 EFBDMM CCC[C@]1(C)CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821028784 606713266 /nfs/dbraw/zinc/71/32/66/606713266.db2.gz ZTJFOXPGGFAMFK-OAHLLOKOSA-N -1 1 331.380 2.577 20 5 EFBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000744612931 1271103715 /nfs/dbraw/zinc/10/37/15/1271103715.db2.gz VFHCPPDZGGRKMF-UHFFFAOYSA-N -1 1 329.308 2.903 20 5 EFBDMM O=c1nc2nc[nH]c2c(Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[n-]1 ZINC001170234670 1278921490 /nfs/dbraw/zinc/92/14/90/1278921490.db2.gz UYIDYTXYADOWNH-UHFFFAOYSA-N -1 1 340.221 2.729 20 5 EFBDMM CCc1cc(=O)[n-]c(SCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000789966065 1277127722 /nfs/dbraw/zinc/12/77/22/1277127722.db2.gz CYBBQLBIFXWEBR-UHFFFAOYSA-N -1 1 336.329 2.853 20 5 EFBDMM O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[N-]OCc1cccnc1 ZINC000790556663 1277645791 /nfs/dbraw/zinc/64/57/91/1277645791.db2.gz HNBMCQPLLYLFPD-UHFFFAOYSA-N -1 1 339.710 2.573 20 5 EFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C1(C2CCC2)CC1 ZINC000845998141 1279967315 /nfs/dbraw/zinc/96/73/15/1279967315.db2.gz LKESIDWZJDQTMR-UHFFFAOYSA-N -1 1 330.793 2.859 20 5 EFBDMM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809837039 1282498249 /nfs/dbraw/zinc/49/82/49/1282498249.db2.gz ROKHACJRFHZXJE-YUMQZZPRSA-N -1 1 336.772 2.854 20 5 EFBDMM CC1CC([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809824318 1282523595 /nfs/dbraw/zinc/52/35/95/1282523595.db2.gz NVKSECSRIPENRE-UHFFFAOYSA-N -1 1 339.200 2.978 20 5 EFBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CCC1 ZINC000809829063 1282528152 /nfs/dbraw/zinc/52/81/52/1282528152.db2.gz YGEPYDHHDHMUHN-SSDOTTSWSA-N -1 1 336.772 2.854 20 5 EFBDMM CON(Cc1ccccc1Cl)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000812429161 1285133763 /nfs/dbraw/zinc/13/37/63/1285133763.db2.gz UUSVAPQHRWMLME-UHFFFAOYSA-N -1 1 337.719 2.553 20 5 EFBDMM Cc1nc([N-]C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])nn1C ZINC000817019114 1288376247 /nfs/dbraw/zinc/37/62/47/1288376247.db2.gz SPLLTIVQNKUSSB-UHFFFAOYSA-N -1 1 330.131 2.591 20 5 EFBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cc(F)c(F)c(F)c2F)no1 ZINC001212893272 1290628499 /nfs/dbraw/zinc/62/84/99/1290628499.db2.gz VEHNCZHBFOZMCX-UHFFFAOYSA-N -1 1 329.169 2.591 20 5 EFBDMM Cc1cc(C(F)(F)F)c(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)cn1 ZINC001212893956 1290629484 /nfs/dbraw/zinc/62/94/84/1290629484.db2.gz HJDWDIIFGNZFJV-UHFFFAOYSA-N -1 1 340.221 2.757 20 5 EFBDMM CCOCC(COCC)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233500854 1312944523 /nfs/dbraw/zinc/94/45/23/1312944523.db2.gz VNGOOSPHQMHQAS-UHFFFAOYSA-N -1 1 343.767 2.945 20 5 EFBDMM COC(=O)[C@@H]1CC[C@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)C1 ZINC001233500634 1312944276 /nfs/dbraw/zinc/94/42/76/1312944276.db2.gz UGBNZYZHNWWJRZ-SFYZADRCSA-N -1 1 339.735 2.845 20 5 EFBDMM COC(=O)[C@@]1(C)C[C@@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)C1 ZINC001233506853 1312946985 /nfs/dbraw/zinc/94/69/85/1312946985.db2.gz SLDMEVYNKXPWKA-BGIOPWKHSA-N -1 1 339.735 2.845 20 5 EFBDMM COC(=O)c1nc(Cl)c(Cl)nc1[N-]c1ccc([N+](=O)[O-])nc1 ZINC001203560158 1312956250 /nfs/dbraw/zinc/95/62/50/1312956250.db2.gz IBRGWRLGQAYMSM-UHFFFAOYSA-N -1 1 344.114 2.617 20 5 EFBDMM O=c1c2c(O)ccc(O)c2oc2cc([O-])cc(OC[C@@H]3CCCO3)c12 ZINC001234125142 1313061751 /nfs/dbraw/zinc/06/17/51/1313061751.db2.gz NJEAVEPSCZOODC-JTQLQIEISA-N -1 1 344.319 2.621 20 5 EFBDMM COC(=O)c1ccc(C(=O)O[C@H](C)c2cc([N+](=O)[O-])ccc2C)[n-]1 ZINC000796346691 1294522155 /nfs/dbraw/zinc/52/21/55/1294522155.db2.gz PLZHPVXPGQMFJF-SNVBAGLBSA-N -1 1 332.312 2.936 20 5 EFBDMM COC(=O)c1ccc(C(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])[n-]1 ZINC000796369694 1294572510 /nfs/dbraw/zinc/57/25/10/1294572510.db2.gz RLZIIOOTWCNGPE-UHFFFAOYSA-N -1 1 338.703 2.720 20 5 EFBDMM Nc1c(Br)cc2ccnc-2n1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001199818886 1295740575 /nfs/dbraw/zinc/74/05/75/1295740575.db2.gz FVDAKSFSSBEYLE-UHFFFAOYSA-N -1 1 349.144 2.936 20 5 EFBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(OC3CC4(COC4)C3)c12 ZINC001234741199 1313187801 /nfs/dbraw/zinc/18/78/01/1313187801.db2.gz GVMPBJTXYWYHAJ-UHFFFAOYSA-N -1 1 340.331 2.915 20 5 EFBDMM CC(C)N1CC(Oc2cc([O-])cc3oc4c(O)cccc4c(=O)c23)C1 ZINC001234746403 1313188021 /nfs/dbraw/zinc/18/80/21/1313188021.db2.gz CVRLFKVOIYCCQV-UHFFFAOYSA-N -1 1 341.363 2.829 20 5 EFBDMM COC[C@H](C)Oc1cc([O-])cc2oc3c(ccc(O)c3OC)c(=O)c12 ZINC001234749642 1313188514 /nfs/dbraw/zinc/18/85/14/1313188514.db2.gz RUBRJZAPRJEDIE-VIFPVBQESA-N -1 1 346.335 2.780 20 5 EFBDMM CCO[C@@H](C)COc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234750455 1313188903 /nfs/dbraw/zinc/18/89/03/1313188903.db2.gz JUKLBGRQBQTZTG-VIFPVBQESA-N -1 1 346.335 2.867 20 5 EFBDMM COc1c(O)ccc2c(=O)c3c(O[C@@H]4CCOC4)cc([O-])cc3oc21 ZINC001234747353 1313189128 /nfs/dbraw/zinc/18/91/28/1313189128.db2.gz AAOBSDSIFWPPDS-SNVBAGLBSA-N -1 1 344.319 2.534 20 5 EFBDMM CC[C@@H](CC(=O)OC)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234878856 1313202129 /nfs/dbraw/zinc/20/21/29/1313202129.db2.gz ZESQPODSHVALFL-QMMMGPOBSA-N -1 1 348.149 2.783 20 5 EFBDMM Cc1ccnc(-c2noc(-c3n[n-]c(C(F)(F)F)c3[N+](=O)[O-])n2)c1 ZINC001212973168 1297331438 /nfs/dbraw/zinc/33/14/38/1297331438.db2.gz UAALVNBNCQQQCN-UHFFFAOYSA-N -1 1 340.221 2.757 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC2=CCCC2)cc1Cl ZINC000851826579 1299420907 /nfs/dbraw/zinc/42/09/07/1299420907.db2.gz QBOAAMGUKLNHTO-UHFFFAOYSA-N -1 1 334.756 2.776 20 5 EFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1cc2ccccc2[nH]1 ZINC000748536727 1313971378 /nfs/dbraw/zinc/97/13/78/1313971378.db2.gz VSFZZYYFKCFDAK-UHFFFAOYSA-N -1 1 349.343 2.694 20 5 EFBDMM COc1ccc(CCS(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1 ZINC000800785621 1308414838 /nfs/dbraw/zinc/41/48/38/1308414838.db2.gz LKJRLPIERNWIKJ-UHFFFAOYSA-N -1 1 336.369 2.588 20 5 EFBDMM CCOC(=O)c1cnn2cccc(Nc3ccc([O-])c([N+](=O)[O-])c3)c12 ZINC001210396541 1314325453 /nfs/dbraw/zinc/32/54/53/1314325453.db2.gz UCNXHXVJAGSWSB-UHFFFAOYSA-N -1 1 342.311 2.868 20 5 EFBDMM O=[N+]([O-])c1cc(Nc2ncc(CO)cc2Br)ccc1[O-] ZINC001210394137 1314325703 /nfs/dbraw/zinc/32/57/03/1314325703.db2.gz PBZVXRXZTXFPNZ-UHFFFAOYSA-N -1 1 340.133 2.694 20 5 EFBDMM Cc1nc(Br)cnc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210392367 1314325726 /nfs/dbraw/zinc/32/57/26/1314325726.db2.gz CEBWABYRMQETTF-UHFFFAOYSA-N -1 1 325.122 2.905 20 5 EFBDMM COc1nc(Br)cnc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210392670 1314325818 /nfs/dbraw/zinc/32/58/18/1314325818.db2.gz HEVXAUMHMWJNHL-UHFFFAOYSA-N -1 1 341.121 2.605 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1Nc1cccc(C(=O)N(C)C)c1[O-] ZINC001210448177 1314335746 /nfs/dbraw/zinc/33/57/46/1314335746.db2.gz UYBSRDMRXZHVKN-UHFFFAOYSA-N -1 1 331.328 2.754 20 5 EFBDMM O=c1[n-]cnc(Nc2ccc(F)cc2[N+](=O)[O-])c1Br ZINC001210952665 1314415389 /nfs/dbraw/zinc/41/53/89/1314415389.db2.gz OYPVKBXJEJNUFQ-UHFFFAOYSA-N -1 1 329.085 2.736 20 5 EFBDMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(F)cc2[N+](=O)[O-])c1 ZINC001210956304 1314416489 /nfs/dbraw/zinc/41/64/89/1314416489.db2.gz VWLQHIGYEOGVSV-UHFFFAOYSA-N -1 1 340.332 2.977 20 5 EFBDMM Cc1c(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000780068738 1310945257 /nfs/dbraw/zinc/94/52/57/1310945257.db2.gz NNHLHQXWIIWDJT-UHFFFAOYSA-N -1 1 332.268 2.874 20 5 EFBDMM O=C(OCc1cccc2nsnc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071798 1311043104 /nfs/dbraw/zinc/04/31/04/1311043104.db2.gz LFVYUJZGVZIOSL-UHFFFAOYSA-N -1 1 331.309 2.662 20 5 EFBDMM O=C(OCc1cc(F)cc2c1OCOC2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780076668 1311215572 /nfs/dbraw/zinc/21/55/72/1311215572.db2.gz UOHCERHMDGNYRF-UHFFFAOYSA-N -1 1 349.270 2.663 20 5 EFBDMM Cc1cccc(C)c1NC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780076120 1311218245 /nfs/dbraw/zinc/21/82/45/1311218245.db2.gz RRHGSKKFHDZUHW-UHFFFAOYSA-N -1 1 344.323 2.713 20 5 EFBDMM COC(=O)[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000780077276 1311229884 /nfs/dbraw/zinc/22/98/84/1311229884.db2.gz WOINDWVIPREUOB-CQSZACIVSA-N -1 1 349.270 2.511 20 5 EFBDMM COC(=O)c1ccc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)s1 ZINC000780076040 1311237346 /nfs/dbraw/zinc/23/73/46/1311237346.db2.gz OOLYQTULJJFLFS-UHFFFAOYSA-N -1 1 337.309 2.506 20 5 EFBDMM O=C([O-])CCN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000901970769 1311261345 /nfs/dbraw/zinc/26/13/45/1311261345.db2.gz CYTJEYFEBNLIBO-UHFFFAOYSA-N -1 1 330.287 2.635 20 5 EFBDMM COC(=O)c1ccc([C@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)o1 ZINC000780077251 1311266061 /nfs/dbraw/zinc/26/60/61/1311266061.db2.gz WDRPNOUWXPJEIW-QMMMGPOBSA-N -1 1 335.268 2.598 20 5 EFBDMM O=[N+]([O-])c1ccccc1[C@H](OCC[P@@](=O)([O-])O)c1ccccc1 ZINC001224601537 1311412684 /nfs/dbraw/zinc/41/26/84/1311412684.db2.gz HYXZTPWBXPYHDR-OAHLLOKOSA-N -1 1 337.268 2.879 20 5 EFBDMM CC(=O)c1ccc([O-])cc1O[C@@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001225618627 1311554964 /nfs/dbraw/zinc/55/49/64/1311554964.db2.gz GMMTXRUZHARZSO-KRWDZBQOSA-N -1 1 345.307 2.720 20 5 EFBDMM O=[N+]([O-])c1c([O-])cccc1O[C@H]1COCCN(Cc2ccccc2)C1 ZINC001225619587 1311555244 /nfs/dbraw/zinc/55/52/44/1311555244.db2.gz DDBNPGWYGZTONV-OAHLLOKOSA-N -1 1 344.367 2.580 20 5 EFBDMM CCCCOC[C@@H](C)OC[C@H](C)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225664102 1311562032 /nfs/dbraw/zinc/56/20/32/1311562032.db2.gz JQFHQTZWKUQNQD-NEPJUHHUSA-N -1 1 328.365 2.685 20 5 EFBDMM O=C(OCc1ccccc1)C1CC(Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225666389 1311562245 /nfs/dbraw/zinc/56/22/45/1311562245.db2.gz HVUUOAGJCLCUEB-UHFFFAOYSA-N -1 1 344.323 2.596 20 5 EFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](C)Cc1ccccc1 ZINC001226310172 1311645937 /nfs/dbraw/zinc/64/59/37/1311645937.db2.gz NLMPXNWJXYNWPY-LLVKDONJSA-N -1 1 346.339 2.882 20 5 EFBDMM NCc1nccnc1[N-]c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001160250669 1311673410 /nfs/dbraw/zinc/67/34/10/1311673410.db2.gz OINXUIJEIWETCL-UHFFFAOYSA-N -1 1 330.735 2.789 20 5 EFBDMM CC(C)Oc1ncc(Cl)cc1COc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228141468 1311906411 /nfs/dbraw/zinc/90/64/11/1311906411.db2.gz QSDJMGZBXGHMJK-UHFFFAOYSA-N -1 1 340.723 2.505 20 5 EFBDMM Cc1nn(C)cc1[C@H](C)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228861083 1312011393 /nfs/dbraw/zinc/01/13/93/1312011393.db2.gz APYUFRGFMKPFIE-ZETCQYMHSA-N -1 1 346.265 2.896 20 5 EFBDMM Cc1nc(O[C@H]2CCCc3c(Cl)ccnc32)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229379630 1312086240 /nfs/dbraw/zinc/08/62/40/1312086240.db2.gz WKLMIEPYSFSJGE-JTQLQIEISA-N -1 1 336.735 2.904 20 5 EFBDMM O=c1c2ccccc2nc2n1CC[C@@H]2Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395756 1312088083 /nfs/dbraw/zinc/08/80/83/1312088083.db2.gz LCOASRCFBATKNR-AWEZNQCLSA-N -1 1 339.307 2.534 20 5 EFBDMM COC(=O)[C@H]1C[C@H](Oc2ccc3c(c2)oc2cc([O-])ccc2c3=O)C1 ZINC001229518275 1312108938 /nfs/dbraw/zinc/10/89/38/1312108938.db2.gz SJBMVXJGAQGZJS-MJHDQNEOSA-N -1 1 340.331 2.982 20 5 EFBDMM O=c1c2ccc([O-])cc2oc2cc(O[C@H]3CO[C@H]4OCC[C@@H]34)ccc12 ZINC001229519146 1312109079 /nfs/dbraw/zinc/10/90/79/1312109079.db2.gz YUWDHQFTAQOBSK-UCLAIMLFSA-N -1 1 340.331 2.792 20 5 EFBDMM O=C1OCCC[C@@H]1Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229518230 1312109106 /nfs/dbraw/zinc/10/91/06/1312109106.db2.gz RZCSIEVCDXVEDD-AWEZNQCLSA-N -1 1 326.304 2.736 20 5 EFBDMM CCOC(=O)C(F)(F)[C@@H](CC)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229749524 1312132747 /nfs/dbraw/zinc/13/27/47/1312132747.db2.gz CFJMPUHBMFCAEB-GFCCVEGCSA-N -1 1 333.287 2.965 20 5 EFBDMM C[C@H]1COC[C@@H]1Oc1cc2c3ccc([O-])cc3oc(=O)c2cc1O ZINC001229803753 1312142703 /nfs/dbraw/zinc/14/27/03/1312142703.db2.gz RXZLLGYHMYASKI-XYZCENFISA-N -1 1 328.320 2.771 20 5 EFBDMM COC(=O)c1c[n-]c(O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)n1 ZINC001230281609 1312214917 /nfs/dbraw/zinc/21/49/17/1312214917.db2.gz BDHFNFPVSVERHE-SNVBAGLBSA-N -1 1 345.233 2.787 20 5 EFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](CC(C)C)C(=O)OC(C)C)n1 ZINC001231259936 1312465421 /nfs/dbraw/zinc/46/54/21/1312465421.db2.gz QEMLXVLYJVGWPX-LBPRGKRZSA-N -1 1 326.349 2.749 20 5 EFBDMM COc1ccc(OC[C@@H](C)Oc2nc(C)cc([O-])c2[N+](=O)[O-])cc1 ZINC001231261437 1312465572 /nfs/dbraw/zinc/46/55/72/1312465572.db2.gz BHZZUMNUJZYZFQ-LLVKDONJSA-N -1 1 334.328 2.859 20 5 EFBDMM O=[N+]([O-])c1cc([N-]c2nonc2-c2cn3ccncc3n2)ccc1F ZINC001211190760 1314450524 /nfs/dbraw/zinc/45/05/24/1314450524.db2.gz LXWFEPZWZVHWJH-UHFFFAOYSA-N -1 1 341.262 2.570 20 5 EFBDMM Cc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(C)c1 ZINC000119609015 1314673921 /nfs/dbraw/zinc/67/39/21/1314673921.db2.gz MQKDPGZDQKUOBV-UHFFFAOYSA-N -1 1 326.399 2.752 20 5 EFBDMM O=c1c2cc(O)ccc2oc2cc([O-])cc(OC[C@H]3C[C@@H](O)C3)c12 ZINC001218435619 1315194780 /nfs/dbraw/zinc/19/47/80/1315194780.db2.gz IRDQSBSXSGXTLV-JGZJWPJOSA-N -1 1 328.320 2.507 20 5 EFBDMM COc1cc([N+](=O)[O-])cc(-c2nc3cc4c(cc3[nH]2)OCC4)c1[O-] ZINC001250819071 1315272728 /nfs/dbraw/zinc/27/27/28/1315272728.db2.gz JTPQPHMJHWUGGI-UHFFFAOYSA-N -1 1 327.296 2.787 20 5 EFBDMM COCOc1ccc2nc(-c3cc([N+](=O)[O-])c(OC)cc3[O-])[nH]c2c1 ZINC001251778959 1315377845 /nfs/dbraw/zinc/37/78/45/1315377845.db2.gz WFLNVMUIJPMWKT-UHFFFAOYSA-N -1 1 345.311 2.835 20 5 EFBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(Cl)c(F)c1 ZINC001253929746 1315652736 /nfs/dbraw/zinc/65/27/36/1315652736.db2.gz FSPOQSAYFCHPLX-ZETCQYMHSA-N -1 1 339.710 2.979 20 5 EFBDMM CC(C)(C)N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC001261498781 1316415809 /nfs/dbraw/zinc/41/58/09/1316415809.db2.gz PIWNJUARWZZVIK-UHFFFAOYSA-N -1 1 341.795 2.510 20 5 EFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1C[NH+](C)C ZINC001262032962 1316444608 /nfs/dbraw/zinc/44/46/08/1316444608.db2.gz KMKSHZOKGQTFPZ-UHFFFAOYSA-N -1 1 349.412 2.766 20 5 EFBDMM CC[C@@H](c1ccncc1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736397833 1426937894 /nfs/dbraw/zinc/93/78/94/1426937894.db2.gz WETPTIJFSZOTKW-ZDUSSCGKSA-N -1 1 339.359 2.757 20 5 EFBDMM C[C@@H]1CC[C@@H](C)N1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824907213 1427070438 /nfs/dbraw/zinc/07/04/38/1427070438.db2.gz GUGNFNNIUHVUOX-NXEZZACHSA-N -1 1 339.359 2.700 20 5 EFBDMM Cc1c(COc2cccc(F)c2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826236547 1428228245 /nfs/dbraw/zinc/22/82/45/1428228245.db2.gz QSOCOQZJVOAVHU-UHFFFAOYSA-N -1 1 329.291 2.801 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(Oc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000737369404 1428428435 /nfs/dbraw/zinc/42/84/35/1428428435.db2.gz SVTQMBRSNMNWJJ-UHFFFAOYSA-N -1 1 349.310 2.819 20 5 EFBDMM C[C@@H](NCc1cc(-c2nnn[n-]2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000820426825 1428866238 /nfs/dbraw/zinc/86/62/38/1428866238.db2.gz ODVVXIFOWSPIGS-SECBINFHSA-N -1 1 330.373 2.687 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCc1cccc(F)c1F ZINC000738357927 1428871508 /nfs/dbraw/zinc/87/15/08/1428871508.db2.gz IZJNYDVMKXQFBM-UHFFFAOYSA-N -1 1 346.297 2.708 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCOC1CCCCCC1 ZINC000738359518 1428897954 /nfs/dbraw/zinc/89/79/54/1428897954.db2.gz SMKHXRRDQCNSPI-UHFFFAOYSA-N -1 1 346.391 2.926 20 5 EFBDMM Cc1cccc(F)c1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822309295 1429327872 /nfs/dbraw/zinc/32/78/72/1429327872.db2.gz SWHLXYMPCYDOJQ-UHFFFAOYSA-N -1 1 328.307 2.835 20 5 EFBDMM COc1ccc(CNc2cc(C)ccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826203209 1429584200 /nfs/dbraw/zinc/58/42/00/1429584200.db2.gz DKNDNFQIQIUJCV-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820462263 1423761881 /nfs/dbraw/zinc/76/18/81/1423761881.db2.gz WPNJJCXKNWSJGS-MRVPVSSYSA-N -1 1 345.750 2.996 20 5 EFBDMM CCC[C@H](NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)c1nnn[n-]1 ZINC000190047331 1423960758 /nfs/dbraw/zinc/96/07/58/1423960758.db2.gz KTBUVTQMVUDGRT-LBPRGKRZSA-N -1 1 332.364 2.503 20 5 EFBDMM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000123617257 1424292976 /nfs/dbraw/zinc/29/29/76/1424292976.db2.gz FBPJILOBZAJMJZ-UHFFFAOYSA-N -1 1 344.718 2.681 20 5 EFBDMM COc1ccc(COc2ccc([N+](=O)[O-])c(C)c2)cc1-c1nnn[n-]1 ZINC000826207401 1424296116 /nfs/dbraw/zinc/29/61/16/1424296116.db2.gz MRPGTIWHDQRFCB-UHFFFAOYSA-N -1 1 341.327 2.671 20 5 EFBDMM Cc1ccc([C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)cc1[N+](=O)[O-] ZINC000822229449 1424313348 /nfs/dbraw/zinc/31/33/48/1424313348.db2.gz VAAUCSAWWZPDED-SNVBAGLBSA-N -1 1 325.332 2.651 20 5 EFBDMM O=[N+]([O-])c1cnc(Oc2ccc(Cl)c(F)c2)c(-c2nnn[n-]2)c1 ZINC000826500866 1424412006 /nfs/dbraw/zinc/41/20/06/1424412006.db2.gz PDQXWSPSIZYTML-UHFFFAOYSA-N -1 1 336.670 2.755 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccco2)c(-c2nnn[n-]2)c1 ZINC000738369558 1424606908 /nfs/dbraw/zinc/60/69/08/1424606908.db2.gz ISBQXCJZARDJRZ-CYBMUJFWSA-N -1 1 326.316 2.709 20 5 EFBDMM O=C(Nc1nn[n-]n1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000253432128 1424771144 /nfs/dbraw/zinc/77/11/44/1424771144.db2.gz WPGMNAMHYFGOLT-UHFFFAOYSA-N -1 1 342.340 2.511 20 5 EFBDMM C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000820461531 1425143778 /nfs/dbraw/zinc/14/37/78/1425143778.db2.gz LNNBPMWCAWCUOI-MRVPVSSYSA-N -1 1 345.750 2.996 20 5 EFBDMM O=[N+]([O-])c1ccc2nc(NCc3ccccc3)cc(-c3nnn[n-]3)c2c1 ZINC000738367527 1425223768 /nfs/dbraw/zinc/22/37/68/1425223768.db2.gz URAAPKWUZDXTIH-UHFFFAOYSA-N -1 1 347.338 2.935 20 5 EFBDMM Cc1noc(C)c1[C@@H](C)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826338801 1425553341 /nfs/dbraw/zinc/55/33/41/1425553341.db2.gz IOWMHOJPLRPPCX-QMMMGPOBSA-N -1 1 343.347 2.595 20 5 EFBDMM COc1cc(-c2nnn[n-]2)ccc1COc1cccc(C)c1[N+](=O)[O-] ZINC000826173129 1425576954 /nfs/dbraw/zinc/57/69/54/1425576954.db2.gz OFMKATUKDACMQK-UHFFFAOYSA-N -1 1 341.327 2.671 20 5 EFBDMM C[C@@H](CCc1cccn1C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820252414 1425939886 /nfs/dbraw/zinc/93/98/86/1425939886.db2.gz AICHEOSOEGZBID-NSHDSACASA-N -1 1 341.375 2.547 20 5 EFBDMM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000824669526 1425955031 /nfs/dbraw/zinc/95/50/31/1425955031.db2.gz DLJITZFQXCLEOS-MRVPVSSYSA-N -1 1 345.750 2.996 20 5 EFBDMM O=[N+]([O-])c1ccc(CSCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826498117 1426032926 /nfs/dbraw/zinc/03/29/26/1426032926.db2.gz HZBMYJABFHONTJ-UHFFFAOYSA-N -1 1 328.357 2.603 20 5 EFBDMM CC(C)[C@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000735706817 1426267593 /nfs/dbraw/zinc/26/75/93/1426267593.db2.gz DRWFSBGUESQZGT-VIFPVBQESA-N -1 1 327.348 2.780 20 5 EFBDMM CCc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1F ZINC000825716949 1426320660 /nfs/dbraw/zinc/32/06/60/1426320660.db2.gz FEDAXPZZYBKZHH-UHFFFAOYSA-N -1 1 329.295 2.615 20 5 EFBDMM Cc1cc(-c2nnn[n-]2)cc(C)c1OCc1cccc([N+](=O)[O-])c1 ZINC000737221869 1426536840 /nfs/dbraw/zinc/53/68/40/1426536840.db2.gz QNEPTTKZBYYCPX-UHFFFAOYSA-N -1 1 325.328 2.971 20 5 EFBDMM O=[N+]([O-])c1ccc(OCc2cc(F)ccc2-c2nnn[n-]2)c(F)c1 ZINC000823645580 1426561025 /nfs/dbraw/zinc/56/10/25/1426561025.db2.gz UFKZAVVARJMGDY-UHFFFAOYSA-N -1 1 333.254 2.632 20 5 EFBDMM CC(C)C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC000824243213 1426601249 /nfs/dbraw/zinc/60/12/49/1426601249.db2.gz FCPQQHNCFBFBJQ-STQMWFEESA-N -1 1 346.391 2.781 20 5 EFBDMM Cc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)cc2C)c([N+](=O)[O-])c1 ZINC000826292546 1426760511 /nfs/dbraw/zinc/76/05/11/1426760511.db2.gz ZDTSILLIAPUFMJ-UHFFFAOYSA-N -1 1 339.311 2.611 20 5 EFBDMM O=[N+]([O-])c1ccc(F)cc1CNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738370879 1426793527 /nfs/dbraw/zinc/79/35/27/1426793527.db2.gz RJXYOCYKLIBGIV-UHFFFAOYSA-N -1 1 332.270 2.665 20 5 EFBDMM CCOc1ccc(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821427755 1427086699 /nfs/dbraw/zinc/08/66/99/1427086699.db2.gz ZEBHMPLRBREFSB-UHFFFAOYSA-N -1 1 344.356 2.720 20 5 EFBDMM CC(C)(C)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000735597998 1427146177 /nfs/dbraw/zinc/14/61/77/1427146177.db2.gz WBLGJRGSJWZKIQ-LLVKDONJSA-N -1 1 345.407 2.823 20 5 EFBDMM C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820570914 1427171735 /nfs/dbraw/zinc/17/17/35/1427171735.db2.gz UAOCPXVAIAPDOG-LBPRGKRZSA-N -1 1 338.371 2.968 20 5 EFBDMM C[C@@H](c1ccccc1[N+](=O)[O-])N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820570914 1427171742 /nfs/dbraw/zinc/17/17/42/1427171742.db2.gz UAOCPXVAIAPDOG-LBPRGKRZSA-N -1 1 338.371 2.968 20 5 EFBDMM C[C@@H](c1ccccc1[N+](=O)[O-])N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820570914 1427171746 /nfs/dbraw/zinc/17/17/46/1427171746.db2.gz UAOCPXVAIAPDOG-LBPRGKRZSA-N -1 1 338.371 2.968 20 5 EFBDMM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000736136939 1427220662 /nfs/dbraw/zinc/22/06/62/1427220662.db2.gz IAIDAHQPBBPWBC-VIFPVBQESA-N -1 1 326.316 2.654 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000823629681 1427348009 /nfs/dbraw/zinc/34/80/09/1427348009.db2.gz FACZTTQEVUDPQO-IAOVAPTHSA-N -1 1 348.366 2.915 20 5 EFBDMM CCc1nc([C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cs1 ZINC000736699770 1427417284 /nfs/dbraw/zinc/41/72/84/1427417284.db2.gz PACZVJTUFRFUCJ-QMMMGPOBSA-N -1 1 345.388 2.967 20 5 EFBDMM O=[N+]([O-])c1cnc(SCCCc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000738374422 1427516023 /nfs/dbraw/zinc/51/60/23/1427516023.db2.gz OAAMHDLTSHAHHV-UHFFFAOYSA-N -1 1 342.384 2.895 20 5 EFBDMM CCCOc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000825342536 1427586978 /nfs/dbraw/zinc/58/69/78/1427586978.db2.gz UOZCSUASAMSNES-UHFFFAOYSA-N -1 1 341.331 2.702 20 5 EFBDMM CCS[C@@H]1CCCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736664023 1427942365 /nfs/dbraw/zinc/94/23/65/1427942365.db2.gz HLNMNHABRBSATE-GFCCVEGCSA-N -1 1 348.432 2.887 20 5 EFBDMM C[C@H](CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC000820243070 1427981577 /nfs/dbraw/zinc/98/15/77/1427981577.db2.gz UYRDFKXMAKZINA-LLVKDONJSA-N -1 1 339.359 2.776 20 5 EFBDMM O=[N+]([O-])c1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC000738370030 1428029938 /nfs/dbraw/zinc/02/99/38/1428029938.db2.gz MURMEEKFSMOVAC-UHFFFAOYSA-N -1 1 332.270 2.665 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CCC(C(F)(F)F)CC2)c(-c2nnn[n-]2)c1 ZINC000823640010 1428064832 /nfs/dbraw/zinc/06/48/32/1428064832.db2.gz PAHMCYSNQFBYFM-UHFFFAOYSA-N -1 1 342.281 2.554 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000823629884 1428135125 /nfs/dbraw/zinc/13/51/25/1428135125.db2.gz KQILDSAZWWUOAN-ZFWWWQNUSA-N -1 1 336.355 2.818 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1OCc1cccc(-c2nnn[n-]2)c1F ZINC000826293551 1429832991 /nfs/dbraw/zinc/83/29/91/1429832991.db2.gz SZNNCUNRONSJHX-UHFFFAOYSA-N -1 1 329.291 2.801 20 5 EFBDMM Cc1ccc(OCCOc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000826292303 1429862010 /nfs/dbraw/zinc/86/20/10/1429862010.db2.gz PBBLJNDGEXXTSU-UHFFFAOYSA-N -1 1 341.327 2.541 20 5 EFBDMM COc1ccc(Oc2ncc(-c3nnn[n-]3)cc2Cl)c([N+](=O)[O-])c1 ZINC000737112664 1429991708 /nfs/dbraw/zinc/99/17/08/1429991708.db2.gz XLZOTHOEAWCYJM-UHFFFAOYSA-N -1 1 348.706 2.624 20 5 EFBDMM O=[N+]([O-])c1cc(NCC2(c3ccccc3)CC2)ccc1-c1nnn[n-]1 ZINC000823634793 1430118844 /nfs/dbraw/zinc/11/88/44/1430118844.db2.gz MEYYQXSFHJAPSW-UHFFFAOYSA-N -1 1 336.355 2.919 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H]1c1cccnc1 ZINC000826497608 1430142640 /nfs/dbraw/zinc/14/26/40/1430142640.db2.gz NEENVSYAVSIZDM-CYBMUJFWSA-N -1 1 337.343 2.511 20 5 EFBDMM COc1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821727378 1441672700 /nfs/dbraw/zinc/67/27/00/1441672700.db2.gz IWBHZPIHKKEFRN-UHFFFAOYSA-N -1 1 348.706 2.624 20 5 EFBDMM CCSCC[C@@H](C)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821454301 1441785291 /nfs/dbraw/zinc/78/52/91/1441785291.db2.gz FFKNCKMKCSABSA-SNVBAGLBSA-N -1 1 336.421 2.743 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826293300 1442158353 /nfs/dbraw/zinc/15/83/53/1442158353.db2.gz KJKBYSSIWXSYLC-UHFFFAOYSA-N -1 1 338.327 2.644 20 5 EFBDMM C[C@]1(c2ccccc2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820633388 1442477260 /nfs/dbraw/zinc/47/72/60/1442477260.db2.gz AYWSTQZWMRGNHY-DOTOQJQBSA-N -1 1 336.355 2.917 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822271185 1443225955 /nfs/dbraw/zinc/22/59/55/1443225955.db2.gz PTCQOILWAPNNLY-SNVBAGLBSA-N -1 1 325.332 2.651 20 5 EFBDMM O=[N+]([O-])c1cc(F)ccc1N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826498247 1443259666 /nfs/dbraw/zinc/25/96/66/1443259666.db2.gz MTLJLSBCTHUGDX-UHFFFAOYSA-N -1 1 326.291 2.608 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CC[C@H]2c2cccc(F)c2)c(-c2nnn[n-]2)c1 ZINC000823640068 1443344487 /nfs/dbraw/zinc/34/44/87/1443344487.db2.gz QZDABOSIRKNJEB-AWEZNQCLSA-N -1 1 340.318 2.865 20 5 EFBDMM CC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1c(C)noc1C ZINC000825148649 1443397682 /nfs/dbraw/zinc/39/76/82/1443397682.db2.gz RKXTYCRITYRCCW-NSHDSACASA-N -1 1 343.347 2.943 20 5 EFBDMM Cc1ccc(CN(C)Cc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826288004 1443438637 /nfs/dbraw/zinc/43/86/37/1443438637.db2.gz MRNYJPNSJMMCGK-UHFFFAOYSA-N -1 1 338.371 2.715 20 5 EFBDMM CC(C)(CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000819983810 1443638303 /nfs/dbraw/zinc/63/83/03/1443638303.db2.gz GLNIVVWEEHKALR-CQSZACIVSA-N -1 1 346.391 2.782 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1OCc1cccc(-c2nnn[n-]2)c1F ZINC000826211990 1443867054 /nfs/dbraw/zinc/86/70/54/1443867054.db2.gz CMUUMZIJVFYZOO-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM Cc1ccc(OCc2cc(-c3nnn[n-]3)ccc2F)cc1[N+](=O)[O-] ZINC000826292073 1443996742 /nfs/dbraw/zinc/99/67/42/1443996742.db2.gz GYRIZKIZTSRXIT-UHFFFAOYSA-N -1 1 329.291 2.801 20 5 EFBDMM CCC(=O)c1ccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000820842582 1446462737 /nfs/dbraw/zinc/46/27/37/1446462737.db2.gz NXGITDHQJVFLNI-UHFFFAOYSA-N -1 1 340.299 2.555 20 5 EFBDMM CC(=O)c1cc([N+](=O)[O-])ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000824010844 1446671563 /nfs/dbraw/zinc/67/15/63/1446671563.db2.gz SGHONRURVFIEAK-UHFFFAOYSA-N -1 1 339.311 2.557 20 5 EFBDMM C[C@@H]1CC(C)(C)CC[C@H]1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820650955 1446825017 /nfs/dbraw/zinc/82/50/17/1446825017.db2.gz ZOIICMJSXVBOHS-MWLCHTKSSA-N -1 1 331.380 2.797 20 5 EFBDMM O=[N+]([O-])c1cnc(N2CCC[C@H]2c2ccsc2)c(-c2nnn[n-]2)c1 ZINC000738370534 1446846954 /nfs/dbraw/zinc/84/69/54/1446846954.db2.gz VIRXQGMPBNSQLE-LBPRGKRZSA-N -1 1 343.372 2.573 20 5 EFBDMM CCC1(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820962118 1446869096 /nfs/dbraw/zinc/86/90/96/1446869096.db2.gz KJIGHEMJOCZBCU-UHFFFAOYSA-N -1 1 339.359 2.925 20 5 EFBDMM Cc1cccc(OCCNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)c1 ZINC000826300060 1446965173 /nfs/dbraw/zinc/96/51/73/1446965173.db2.gz GSQVRMRAFJROQU-UHFFFAOYSA-N -1 1 340.343 2.574 20 5 EFBDMM O=[N+]([O-])c1ccc(SCc2cc(-c3nn[n-]n3)ccc2F)nc1 ZINC000823645247 1447186813 /nfs/dbraw/zinc/18/68/13/1447186813.db2.gz QLGSOUQLNODRJL-UHFFFAOYSA-N -1 1 332.320 2.601 20 5 EFBDMM Cc1ccnc(N[C@@H](C)c2ccccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826311696 1447263904 /nfs/dbraw/zinc/26/39/04/1447263904.db2.gz LJFDKMXNFZDSQL-JTQLQIEISA-N -1 1 325.332 2.651 20 5 EFBDMM Cc1ccc(OCCOc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826292030 1449162839 /nfs/dbraw/zinc/16/28/39/1449162839.db2.gz FWAKCCXOKANVKE-UHFFFAOYSA-N -1 1 341.327 2.541 20 5 EFBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1ccc(-c2nnn[n-]2)cn1 ZINC000737262679 1449202645 /nfs/dbraw/zinc/20/26/45/1449202645.db2.gz FNJDGIMNNOSWQZ-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM O=[N+]([O-])c1ccc(F)cc1OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823639684 1449305554 /nfs/dbraw/zinc/30/55/54/1449305554.db2.gz FQTWDBOMKGONCJ-UHFFFAOYSA-N -1 1 333.254 2.632 20 5 EFBDMM C[C@@H]1c2ccccc2CCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820827601 1449427470 /nfs/dbraw/zinc/42/74/70/1449427470.db2.gz USWPIEGAALBQJM-LLVKDONJSA-N -1 1 336.355 2.899 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H](c2cccnc2)C2CC2)c(-c2nn[n-]n2)c1 ZINC000826498820 1449520550 /nfs/dbraw/zinc/52/05/50/1449520550.db2.gz KZYKTABPLBONMZ-OAHLLOKOSA-N -1 1 337.343 2.733 20 5 EFBDMM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc([N+](=O)[O-])s1 ZINC000825782971 1449594169 /nfs/dbraw/zinc/59/41/69/1449594169.db2.gz XOUOZQKTKCFVBT-UHFFFAOYSA-N -1 1 341.356 2.873 20 5 EFBDMM Cc1c(COC(=O)c2cc(-c3nnn[n-]3)cs2)cccc1[N+](=O)[O-] ZINC000822027369 1449715347 /nfs/dbraw/zinc/71/53/47/1449715347.db2.gz GRNSRNHMXDDXPZ-UHFFFAOYSA-N -1 1 345.340 2.502 20 5 EFBDMM COc1ccc(COc2ccc(-c3nnn[n-]3)c(F)c2)cc1[N+](=O)[O-] ZINC000737097879 1449801284 /nfs/dbraw/zinc/80/12/84/1449801284.db2.gz PKSDUOLDDZZCFB-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM Cc1ccc(-c2nnn[n-]2)cc1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000737296731 1450074001 /nfs/dbraw/zinc/07/40/01/1450074001.db2.gz NGBVBVNSYBCEOZ-UHFFFAOYSA-N -1 1 328.307 2.835 20 5 EFBDMM O=C(Nc1nc(Br)ccc1[O-])c1ccc([N+](=O)[O-])s1 ZINC000121578433 715028548 /nfs/dbraw/zinc/02/85/48/715028548.db2.gz XNSNXZIENPWPKO-UHFFFAOYSA-N -1 1 344.146 2.772 20 5 EFBDMM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC000866876989 717330131 /nfs/dbraw/zinc/33/01/31/717330131.db2.gz VTZXJKRDZILXLU-SNVBAGLBSA-N -1 1 348.396 2.524 20 5 EFBDMM CS[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC000866886140 719763180 /nfs/dbraw/zinc/76/31/80/719763180.db2.gz XQHKAJASZDJQTQ-ZJUUUORDSA-N -1 1 348.421 2.605 20 5 EFBDMM Cc1ccc(OS(=O)(=O)c2cnc(C(C)C)[n-]2)c([N+](=O)[O-])c1 ZINC000122769383 719784934 /nfs/dbraw/zinc/78/49/34/719784934.db2.gz AGHFUIIMOJSHOW-UHFFFAOYSA-N -1 1 325.346 2.517 20 5 EFBDMM Cc1ccc(OS(=O)(=O)c2c[n-]c(C(C)C)n2)c([N+](=O)[O-])c1 ZINC000122769383 719784937 /nfs/dbraw/zinc/78/49/37/719784937.db2.gz AGHFUIIMOJSHOW-UHFFFAOYSA-N -1 1 325.346 2.517 20 5 EFBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000917510332 728752057 /nfs/dbraw/zinc/75/20/57/728752057.db2.gz MYUAWSPWHBUIEY-UHFFFAOYSA-N -1 1 349.230 2.623 20 5 EFBDMM CCOC(=O)/C=C\c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000917968061 728813183 /nfs/dbraw/zinc/81/31/83/728813183.db2.gz APEVUBNADHUVJO-YHYXMXQVSA-N -1 1 329.312 2.752 20 5 EFBDMM COc1cccc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000913613327 725729496 /nfs/dbraw/zinc/72/94/96/725729496.db2.gz IUCUZWWVRRJRIR-UHFFFAOYSA-N -1 1 346.364 2.652 20 5 EFBDMM O=[N+]([O-])c1ccc(-c2noc(-c3cc4c(cc3[O-])OCO4)n2)s1 ZINC000350842749 725887689 /nfs/dbraw/zinc/88/76/89/725887689.db2.gz YCVAFSPDANVVKK-UHFFFAOYSA-N -1 1 333.281 2.808 20 5 EFBDMM CSCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000908381421 727174028 /nfs/dbraw/zinc/17/40/28/727174028.db2.gz BFQRKKOOHQLRRI-UHFFFAOYSA-N -1 1 338.838 2.668 20 5 EFBDMM CSCC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000908384227 727174543 /nfs/dbraw/zinc/17/45/43/727174543.db2.gz RDJSBZXOQAJNMA-UHFFFAOYSA-N -1 1 338.838 2.668 20 5 EFBDMM O=C(COC(=O)c1cc(-c2ccco2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000913299854 727814256 /nfs/dbraw/zinc/81/42/56/727814256.db2.gz RYOCRUNOSXKFBT-UHFFFAOYSA-N -1 1 341.279 2.618 20 5 EFBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccn1 ZINC000170655216 728461525 /nfs/dbraw/zinc/46/15/25/728461525.db2.gz JGAIERRWBMOLGT-VIFPVBQESA-N -1 1 341.776 2.683 20 5 EFBDMM CN1CCCc2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000068239434 729648224 /nfs/dbraw/zinc/64/82/24/729648224.db2.gz JUMPZGSIDFQXRF-UHFFFAOYSA-N -1 1 347.396 2.778 20 5 EFBDMM C[C@@]1(C(=O)[O-])CCN(Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000062935387 948967523 /nfs/dbraw/zinc/96/75/23/948967523.db2.gz NWYWBCXQUJYMLY-CYBMUJFWSA-N -1 1 343.177 2.654 20 5 EFBDMM C[C@@](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001589131539 956197601 /nfs/dbraw/zinc/19/76/01/956197601.db2.gz SAEPAUBDVDUEAX-INIZCTEOSA-N -1 1 345.311 2.593 20 5 EFBDMM O=C([O-])CN(Cc1cc([N+](=O)[O-])ccc1Br)C1CCC1 ZINC000923253834 957107937 /nfs/dbraw/zinc/10/79/37/957107937.db2.gz ORSDANCEZNZAKX-UHFFFAOYSA-N -1 1 343.177 2.796 20 5 EFBDMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001573712740 959859588 /nfs/dbraw/zinc/85/95/88/959859588.db2.gz VIJDHGKYIRPWTC-DGCLKSJQSA-N -1 1 345.355 2.935 20 5 EFBDMM CC[C@H](C(=O)[O-])N(C)Cc1cc([N+](=O)[O-])ccc1Br ZINC000923255394 969649336 /nfs/dbraw/zinc/64/93/36/969649336.db2.gz DWFWVQIZWPZYDM-LLVKDONJSA-N -1 1 331.166 2.652 20 5 EFBDMM O=C([O-])CC[C@@H]1CCCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001606123134 973364463 /nfs/dbraw/zinc/36/44/63/973364463.db2.gz QDBVCPFKUWZVGV-NSHDSACASA-N -1 1 333.344 2.955 20 5 EFBDMM C[C@@](CC(=O)[O-])([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC001592329095 977752078 /nfs/dbraw/zinc/75/20/78/977752078.db2.gz RALWXTJVFWBHMA-KRWDZBQOSA-N -1 1 348.330 2.919 20 5 EFBDMM O=C([O-])c1cccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000840993844 979291574 /nfs/dbraw/zinc/29/15/74/979291574.db2.gz QZYFDZFHBDMTON-UHFFFAOYSA-N -1 1 341.367 2.615 20 5 EFBDMM COc1cccc([C@H](NCc2ccc([N+](=O)[O-])c(F)c2)C(=O)[O-])c1 ZINC001599687962 991017811 /nfs/dbraw/zinc/01/78/11/991017811.db2.gz ITMYOVVBNDXVLE-HNNXBMFYSA-N -1 1 334.303 2.658 20 5 EFBDMM CN(C)c1ccccc1CN[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001598342416 991412677 /nfs/dbraw/zinc/41/26/77/991412677.db2.gz MRCUHGLTEGFZRO-GOSISDBHSA-N -1 1 343.383 2.750 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1CN[C@@H](C(=O)[O-])c1ccccc1C ZINC001599622219 994100064 /nfs/dbraw/zinc/10/00/64/994100064.db2.gz CUJNBYXNQPCKSM-MRXNPFEDSA-N -1 1 330.340 2.827 20 5 EFBDMM C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1OCC(=O)[O-] ZINC001593298055 994709920 /nfs/dbraw/zinc/70/99/20/994709920.db2.gz CZDWBYLKQWZHDD-LBPRGKRZSA-N -1 1 330.340 2.909 20 5 EFBDMM CC(C)(C)n1cc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cn1 ZINC001593311547 994784171 /nfs/dbraw/zinc/78/41/71/994784171.db2.gz HSHFVFOQYZMATM-KRWDZBQOSA-N -1 1 346.387 2.636 20 5 EFBDMM C[C@@H]1CC[C@@](NCc2cccnc2[N+](=O)[O-])(C(=O)[O-])c2ccccc21 ZINC001594319974 999229623 /nfs/dbraw/zinc/22/96/23/999229623.db2.gz HNSXSXGULVGPET-XIKOKIGWSA-N -1 1 341.367 2.957 20 5 EFBDMM CC(C)c1nc(CN[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])cs1 ZINC001321113082 1126171203 /nfs/dbraw/zinc/17/12/03/1126171203.db2.gz KAVZADUMMHXLOD-AWEZNQCLSA-N -1 1 349.412 2.960 20 5 EFBDMM Cc1cccc(CSc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001581240428 1091103789 /nfs/dbraw/zinc/10/37/89/1091103789.db2.gz HOFXSIGEFABPMA-UHFFFAOYSA-N -1 1 328.357 2.771 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NC[C@@H]1OCc2ccccc21 ZINC001582804526 1091670423 /nfs/dbraw/zinc/67/04/23/1091670423.db2.gz FGFATHOXZQOVBI-NSHDSACASA-N -1 1 344.356 2.520 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NC[C@@H]1OCc2ccccc21 ZINC001582804526 1091670427 /nfs/dbraw/zinc/67/04/27/1091670427.db2.gz FGFATHOXZQOVBI-NSHDSACASA-N -1 1 344.356 2.520 20 5 EFBDMM CC(C)(C)SCCSc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589209125 1093049205 /nfs/dbraw/zinc/04/92/05/1093049205.db2.gz SSHXKHALCYDOLM-UHFFFAOYSA-N -1 1 340.434 2.794 20 5 EFBDMM CC(C)(C)c1cnc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)o1 ZINC001589233295 1093054259 /nfs/dbraw/zinc/05/42/59/1093054259.db2.gz ADOQWMLZOKVUOH-UHFFFAOYSA-N -1 1 343.347 2.673 20 5 EFBDMM CC(C)(CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccn1 ZINC001589293191 1093067476 /nfs/dbraw/zinc/06/74/76/1093067476.db2.gz QTPKDXUSRPXLDI-UHFFFAOYSA-N -1 1 339.359 2.560 20 5 EFBDMM CC(C)(CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccn1 ZINC001589293191 1093067486 /nfs/dbraw/zinc/06/74/86/1093067486.db2.gz QTPKDXUSRPXLDI-UHFFFAOYSA-N -1 1 339.359 2.560 20 5 EFBDMM CC(C)O[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1(C)C ZINC001589738978 1093131577 /nfs/dbraw/zinc/13/15/77/1093131577.db2.gz BDKUFFKTBHNZLZ-KBPBESRZSA-N -1 1 346.391 2.779 20 5 EFBDMM C[C@H](CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])Oc1ccccc1 ZINC001589877212 1093162938 /nfs/dbraw/zinc/16/29/38/1093162938.db2.gz RUBHNKRIPHLBHP-LLVKDONJSA-N -1 1 340.343 2.654 20 5 EFBDMM C[C@H](CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])Oc1ccccc1 ZINC001589877212 1093162942 /nfs/dbraw/zinc/16/29/42/1093162942.db2.gz RUBHNKRIPHLBHP-LLVKDONJSA-N -1 1 340.343 2.654 20 5 EFBDMM C[C@]1(C(F)(F)F)CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001590072160 1093249671 /nfs/dbraw/zinc/24/96/71/1093249671.db2.gz DPAHZQKRPWSDRF-LBPRGKRZSA-N -1 1 342.281 2.554 20 5 EFBDMM C[C@]1(C(F)(F)F)CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001590072160 1093249675 /nfs/dbraw/zinc/24/96/75/1093249675.db2.gz DPAHZQKRPWSDRF-LBPRGKRZSA-N -1 1 342.281 2.554 20 5 EFBDMM CC1(C)C[C@@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCS1 ZINC001590083904 1093257903 /nfs/dbraw/zinc/25/79/03/1093257903.db2.gz NSIOUFKKWRFKKF-VIFPVBQESA-N -1 1 334.405 2.861 20 5 EFBDMM CC1(C)C[C@@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCS1 ZINC001590083904 1093257905 /nfs/dbraw/zinc/25/79/05/1093257905.db2.gz NSIOUFKKWRFKKF-VIFPVBQESA-N -1 1 334.405 2.861 20 5 EFBDMM CC1(C)C[C@@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C(C)(C)O1 ZINC001590083933 1093258651 /nfs/dbraw/zinc/25/86/51/1093258651.db2.gz PJWYNZJXOMHSLE-SECBINFHSA-N -1 1 338.393 2.594 20 5 EFBDMM CC1(C)C[C@@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C(C)(C)O1 ZINC001590083933 1093258654 /nfs/dbraw/zinc/25/86/54/1093258654.db2.gz PJWYNZJXOMHSLE-SECBINFHSA-N -1 1 338.393 2.594 20 5 EFBDMM CC1(C)CCC[C@@H](CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])O1 ZINC001590094327 1093263775 /nfs/dbraw/zinc/26/37/75/1093263775.db2.gz QXLYPNWRTRPLDK-QMMMGPOBSA-N -1 1 338.393 2.596 20 5 EFBDMM CC1(C)CCC[C@@H](CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])O1 ZINC001590094327 1093263779 /nfs/dbraw/zinc/26/37/79/1093263779.db2.gz QXLYPNWRTRPLDK-QMMMGPOBSA-N -1 1 338.393 2.596 20 5 EFBDMM CC1(C2CC2)CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001590122501 1093275481 /nfs/dbraw/zinc/27/54/81/1093275481.db2.gz XPVGWZHQGGTUNX-UHFFFAOYSA-N -1 1 328.376 2.791 20 5 EFBDMM CC1(C2CC2)CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001590122501 1093275485 /nfs/dbraw/zinc/27/54/85/1093275485.db2.gz XPVGWZHQGGTUNX-UHFFFAOYSA-N -1 1 328.376 2.791 20 5 EFBDMM C[C@@H]1CC[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001590237959 1093324218 /nfs/dbraw/zinc/32/42/18/1093324218.db2.gz RELULAYACQSXPW-BBBLOLIVSA-N -1 1 331.380 2.594 20 5 EFBDMM C[C@@H]1CC[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001590237959 1093324226 /nfs/dbraw/zinc/32/42/26/1093324226.db2.gz RELULAYACQSXPW-BBBLOLIVSA-N -1 1 331.380 2.594 20 5 EFBDMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC001590311349 1093369843 /nfs/dbraw/zinc/36/98/43/1093369843.db2.gz CXMYBFWFGALEGR-KNVOCYPGSA-N -1 1 344.347 2.564 20 5 EFBDMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC001590311349 1093369857 /nfs/dbraw/zinc/36/98/57/1093369857.db2.gz CXMYBFWFGALEGR-KNVOCYPGSA-N -1 1 344.347 2.564 20 5 EFBDMM C[C@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC001590315848 1093373574 /nfs/dbraw/zinc/37/35/74/1093373574.db2.gz XMFKRDYOKMGHGI-MEDUHNTESA-N -1 1 336.355 2.972 20 5 EFBDMM C[C@@H]1c2ccsc2CCN1c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590336896 1093383726 /nfs/dbraw/zinc/38/37/26/1093383726.db2.gz FATHUJMUZBRKPC-SECBINFHSA-N -1 1 342.384 2.960 20 5 EFBDMM C[C@@H]1c2ccsc2CCN1c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590336896 1093383730 /nfs/dbraw/zinc/38/37/30/1093383730.db2.gz FATHUJMUZBRKPC-SECBINFHSA-N -1 1 342.384 2.960 20 5 EFBDMM C[C@@H]1c2ccccc2CCN1c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590339619 1093384836 /nfs/dbraw/zinc/38/48/36/1093384836.db2.gz XCVWUSQWAFTPFM-SECBINFHSA-N -1 1 342.384 2.960 20 5 EFBDMM C[C@@H]1c2ccccc2CCN1c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590339619 1093384844 /nfs/dbraw/zinc/38/48/44/1093384844.db2.gz XCVWUSQWAFTPFM-SECBINFHSA-N -1 1 342.384 2.960 20 5 EFBDMM CC[C@H](Nc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)[C@@H]1CCCCO1 ZINC001590471292 1093444401 /nfs/dbraw/zinc/44/44/01/1093444401.db2.gz BFEUCHGOBUEFLR-KBPBESRZSA-N -1 1 346.391 2.843 20 5 EFBDMM CC[C@H](Nc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)[C@@H]1CCCCO1 ZINC001590471292 1093444406 /nfs/dbraw/zinc/44/44/06/1093444406.db2.gz BFEUCHGOBUEFLR-KBPBESRZSA-N -1 1 346.391 2.843 20 5 EFBDMM CCC1(CC)[C@@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C[C@@H]1OC ZINC001590492653 1093454102 /nfs/dbraw/zinc/45/41/02/1093454102.db2.gz SOMHWZIBNPCIJA-KBPBESRZSA-N -1 1 346.391 2.781 20 5 EFBDMM CC[C@@H]1CCCC[C@@H]1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590513196 1093470631 /nfs/dbraw/zinc/47/06/31/1093470631.db2.gz UTLNKHYAIPHFHX-GHMZBOCLSA-N -1 1 331.380 2.798 20 5 EFBDMM CC[C@@H]1CCCC[C@@H]1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590513196 1093470635 /nfs/dbraw/zinc/47/06/35/1093470635.db2.gz UTLNKHYAIPHFHX-GHMZBOCLSA-N -1 1 331.380 2.798 20 5 EFBDMM CCCCOCCCNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590608339 1093510900 /nfs/dbraw/zinc/51/09/00/1093510900.db2.gz IAWOWOKSHAKHHH-UHFFFAOYSA-N -1 1 334.380 2.702 20 5 EFBDMM CCCCOCCCNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590608339 1093510903 /nfs/dbraw/zinc/51/09/03/1093510903.db2.gz IAWOWOKSHAKHHH-UHFFFAOYSA-N -1 1 334.380 2.702 20 5 EFBDMM CCO[C@@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C12CCC2 ZINC001590795674 1093575941 /nfs/dbraw/zinc/57/59/41/1093575941.db2.gz YWSUNJNVGJYIHC-CHWSQXEVSA-N -1 1 344.375 2.535 20 5 EFBDMM CCO[C@@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C12CCC2 ZINC001590795674 1093575946 /nfs/dbraw/zinc/57/59/46/1093575946.db2.gz YWSUNJNVGJYIHC-CHWSQXEVSA-N -1 1 344.375 2.535 20 5 EFBDMM CCOC[C@H](Nc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)C(C)C ZINC001590800852 1093575975 /nfs/dbraw/zinc/57/59/75/1093575975.db2.gz XVJOEBQFQYMUIQ-ZDUSSCGKSA-N -1 1 334.380 2.556 20 5 EFBDMM CCOC[C@H](Nc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)C(C)C ZINC001590800852 1093575980 /nfs/dbraw/zinc/57/59/80/1093575980.db2.gz XVJOEBQFQYMUIQ-ZDUSSCGKSA-N -1 1 334.380 2.556 20 5 EFBDMM CCc1ccccc1CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590897420 1093624440 /nfs/dbraw/zinc/62/44/40/1093624440.db2.gz BJRMRLOGDJHBEW-UHFFFAOYSA-N -1 1 339.359 2.532 20 5 EFBDMM CCc1ccccc1CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590897420 1093624444 /nfs/dbraw/zinc/62/44/44/1093624444.db2.gz BJRMRLOGDJHBEW-UHFFFAOYSA-N -1 1 339.359 2.532 20 5 EFBDMM CCc1nc(C)c(CNc2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)o1 ZINC001590911613 1093629907 /nfs/dbraw/zinc/62/99/07/1093629907.db2.gz MDZVNUFHKNIHPW-UHFFFAOYSA-N -1 1 343.347 2.554 20 5 EFBDMM CCc1nc(C)c(CNc2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)o1 ZINC001590911613 1093629911 /nfs/dbraw/zinc/62/99/11/1093629911.db2.gz MDZVNUFHKNIHPW-UHFFFAOYSA-N -1 1 343.347 2.554 20 5 EFBDMM CCc1nc(Sc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)sc1C ZINC001590924092 1093633718 /nfs/dbraw/zinc/63/37/18/1093633718.db2.gz VBSLRFYCQOKRFC-UHFFFAOYSA-N -1 1 349.401 2.648 20 5 EFBDMM CN(Cc1c(F)cccc1F)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591126842 1093665280 /nfs/dbraw/zinc/66/52/80/1093665280.db2.gz JQUFHQSRURBDRG-UHFFFAOYSA-N -1 1 346.297 2.690 20 5 EFBDMM CN(Cc1c(F)cccc1F)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591126842 1093665286 /nfs/dbraw/zinc/66/52/86/1093665286.db2.gz JQUFHQSRURBDRG-UHFFFAOYSA-N -1 1 346.297 2.690 20 5 EFBDMM CN(c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC001591155123 1093675441 /nfs/dbraw/zinc/67/54/41/1093675441.db2.gz RBYZGPQGMOBOJI-LLVKDONJSA-N -1 1 342.384 2.960 20 5 EFBDMM CN(c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC001591155123 1093675443 /nfs/dbraw/zinc/67/54/43/1093675443.db2.gz RBYZGPQGMOBOJI-LLVKDONJSA-N -1 1 342.384 2.960 20 5 EFBDMM COC[C@@H](CC(C)(C)C)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591373987 1093707618 /nfs/dbraw/zinc/70/76/18/1093707618.db2.gz CAZLTWZHCZZLST-LLVKDONJSA-N -1 1 334.380 2.638 20 5 EFBDMM COc1cc(OC)cc(Oc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1 ZINC001591552539 1093765512 /nfs/dbraw/zinc/76/55/12/1093765512.db2.gz NEPURTKQBBZXIG-UHFFFAOYSA-N -1 1 343.299 2.584 20 5 EFBDMM COc1cc(OC)cc(Oc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1 ZINC001591552539 1093765522 /nfs/dbraw/zinc/76/55/22/1093765522.db2.gz NEPURTKQBBZXIG-UHFFFAOYSA-N -1 1 343.299 2.584 20 5 EFBDMM COc1ccc(F)c(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001591605332 1093791474 /nfs/dbraw/zinc/79/14/74/1093791474.db2.gz FECYOOADAXVZJM-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM COc1ccc(F)c(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001591605332 1093791483 /nfs/dbraw/zinc/79/14/83/1093791483.db2.gz FECYOOADAXVZJM-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM COc1ccc([N+](=O)[O-])c(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC001591623361 1093803273 /nfs/dbraw/zinc/80/32/73/1093803273.db2.gz RBDFWVLBAGEGTA-UHFFFAOYSA-N -1 1 348.706 2.624 20 5 EFBDMM COc1ccc([N+](=O)[O-])c(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC001591623361 1093803280 /nfs/dbraw/zinc/80/32/80/1093803280.db2.gz RBDFWVLBAGEGTA-UHFFFAOYSA-N -1 1 348.706 2.624 20 5 EFBDMM Cc1cc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1Cl ZINC001591970163 1093939213 /nfs/dbraw/zinc/93/92/13/1093939213.db2.gz JFTVUNOJFSGDEJ-UHFFFAOYSA-N -1 1 345.750 2.744 20 5 EFBDMM Cc1cc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1Cl ZINC001591970163 1093939219 /nfs/dbraw/zinc/93/92/19/1093939219.db2.gz JFTVUNOJFSGDEJ-UHFFFAOYSA-N -1 1 345.750 2.744 20 5 EFBDMM Cc1cc(N[C@H]2CCOC23CCCC3)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592040517 1093964373 /nfs/dbraw/zinc/96/43/73/1093964373.db2.gz NTSUBVIBTLXNMP-ZDUSSCGKSA-N -1 1 344.375 2.597 20 5 EFBDMM Cc1cc(N[C@H]2CCOC23CCCC3)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592040517 1093964378 /nfs/dbraw/zinc/96/43/78/1093964378.db2.gz NTSUBVIBTLXNMP-ZDUSSCGKSA-N -1 1 344.375 2.597 20 5 EFBDMM Cc1cc(NCCCC2CCOCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592046307 1093966134 /nfs/dbraw/zinc/96/61/34/1093966134.db2.gz AOAOBJVSVUVJIW-UHFFFAOYSA-N -1 1 346.391 2.702 20 5 EFBDMM Cc1cc(NCCCC2CCOCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592046307 1093966139 /nfs/dbraw/zinc/96/61/39/1093966139.db2.gz AOAOBJVSVUVJIW-UHFFFAOYSA-N -1 1 346.391 2.702 20 5 EFBDMM Cc1cc(N[C@@H]2C[C@H]2c2ccco2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592055123 1093968211 /nfs/dbraw/zinc/96/82/11/1093968211.db2.gz VKDLMBXDQSPXAC-ZYHUDNBSSA-N -1 1 326.316 2.644 20 5 EFBDMM Cc1cc(N[C@@H]2C[C@H]2c2ccco2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592055123 1093968216 /nfs/dbraw/zinc/96/82/16/1093968216.db2.gz VKDLMBXDQSPXAC-ZYHUDNBSSA-N -1 1 326.316 2.644 20 5 EFBDMM Cc1ccc(F)c(CN(C)c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1 ZINC001592173989 1094015621 /nfs/dbraw/zinc/01/56/21/1094015621.db2.gz ZUZJPNAJDXNRNE-UHFFFAOYSA-N -1 1 342.334 2.859 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(Oc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001592197783 1094024991 /nfs/dbraw/zinc/02/49/91/1094024991.db2.gz QXLMYIJBDUOTNC-UHFFFAOYSA-N -1 1 342.271 2.784 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(Oc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001592197783 1094024994 /nfs/dbraw/zinc/02/49/94/1094024994.db2.gz QXLMYIJBDUOTNC-UHFFFAOYSA-N -1 1 342.271 2.784 20 5 EFBDMM Cc1cccc2c1CCN(c1ccc([N+](=O)[O-])c(-c3nnn[n-]3)c1)C2 ZINC001592244432 1094047137 /nfs/dbraw/zinc/04/71/37/1094047137.db2.gz VRBBEQUXXWEPIF-UHFFFAOYSA-N -1 1 336.355 2.646 20 5 EFBDMM Cc1cccc2c1CCN(c1ccc([N+](=O)[O-])c(-c3nn[n-]n3)c1)C2 ZINC001592244432 1094047143 /nfs/dbraw/zinc/04/71/43/1094047143.db2.gz VRBBEQUXXWEPIF-UHFFFAOYSA-N -1 1 336.355 2.646 20 5 EFBDMM Cc1ccccc1C1=CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001592253334 1094052166 /nfs/dbraw/zinc/05/21/66/1094052166.db2.gz RBYZRTROUPWSFO-UHFFFAOYSA-N -1 1 348.366 2.987 20 5 EFBDMM Cc1nsc(NC[C@H](C)c2ccccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC001592486552 1094111150 /nfs/dbraw/zinc/11/11/50/1094111150.db2.gz LNZKCHZKJMHKEV-QMMMGPOBSA-N -1 1 345.388 2.755 20 5 EFBDMM O=[N+]([O-])c1c(NCCc2c[nH]c3ccccc23)cccc1-c1nnn[n-]1 ZINC001593465599 1094309840 /nfs/dbraw/zinc/30/98/40/1094309840.db2.gz QHHODZHYRQCHPF-UHFFFAOYSA-N -1 1 349.354 2.911 20 5 EFBDMM O=[N+]([O-])c1c(NCCc2c[nH]c3ccccc23)cccc1-c1nn[n-]n1 ZINC001593465599 1094309846 /nfs/dbraw/zinc/30/98/46/1094309846.db2.gz QHHODZHYRQCHPF-UHFFFAOYSA-N -1 1 349.354 2.911 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCC[C@H](C2CC2)C1 ZINC001593465105 1094309939 /nfs/dbraw/zinc/30/99/39/1094309939.db2.gz BRCAGUQIYPDUEV-WDEREUQCSA-N -1 1 329.364 2.551 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCC[C@H](C2CC2)C1 ZINC001593465105 1094309945 /nfs/dbraw/zinc/30/99/45/1094309945.db2.gz BRCAGUQIYPDUEV-WDEREUQCSA-N -1 1 329.364 2.551 20 5 EFBDMM O=[N+]([O-])c1c(NCC2(C(F)(F)F)CC2)cccc1-c1nnn[n-]1 ZINC001593466305 1094310006 /nfs/dbraw/zinc/31/00/06/1094310006.db2.gz XLOAEPXEVQXQJT-UHFFFAOYSA-N -1 1 328.254 2.529 20 5 EFBDMM O=[N+]([O-])c1c(NCC2(C(F)(F)F)CC2)cccc1-c1nn[n-]n1 ZINC001593466305 1094310009 /nfs/dbraw/zinc/31/00/09/1094310009.db2.gz XLOAEPXEVQXQJT-UHFFFAOYSA-N -1 1 328.254 2.529 20 5 EFBDMM O=[N+]([O-])c1c(NCc2cc3ccccc3[nH]2)cccc1-c1nnn[n-]1 ZINC001593468709 1094311049 /nfs/dbraw/zinc/31/10/49/1094311049.db2.gz JERCUXPVTPQIIN-UHFFFAOYSA-N -1 1 335.327 2.868 20 5 EFBDMM O=[N+]([O-])c1c(NCc2cc3ccccc3[nH]2)cccc1-c1nn[n-]n1 ZINC001593468709 1094311056 /nfs/dbraw/zinc/31/10/56/1094311056.db2.gz JERCUXPVTPQIIN-UHFFFAOYSA-N -1 1 335.327 2.868 20 5 EFBDMM O=[N+]([O-])c1cc(N2CC(c3ccccc3F)C2)ccc1-c1nn[n-]n1 ZINC001593472130 1094315359 /nfs/dbraw/zinc/31/53/59/1094315359.db2.gz VVEZDXAAGLXXRW-UHFFFAOYSA-N -1 1 340.318 2.518 20 5 EFBDMM O=[N+]([O-])c1c(NCc2ccc3c(c2)CCC3)cccc1-c1nnn[n-]1 ZINC001593469443 1094316362 /nfs/dbraw/zinc/31/63/62/1094316362.db2.gz QSKJYQZYYGYLQM-UHFFFAOYSA-N -1 1 336.355 2.876 20 5 EFBDMM O=[N+]([O-])c1c(NCc2ccc3c(c2)CCC3)cccc1-c1nn[n-]n1 ZINC001593469443 1094316366 /nfs/dbraw/zinc/31/63/66/1094316366.db2.gz QSKJYQZYYGYLQM-UHFFFAOYSA-N -1 1 336.355 2.876 20 5 EFBDMM O=[N+]([O-])c1cc(Oc2cccc(-n3ccnc3)c2)ccc1-c1nn[n-]n1 ZINC001593474652 1094317373 /nfs/dbraw/zinc/31/73/73/1094317373.db2.gz ROQPCRCDHPOABB-UHFFFAOYSA-N -1 1 349.310 2.753 20 5 EFBDMM O=[N+]([O-])c1cc(NCc2cc3ccccc3[nH]2)ccc1-c1nn[n-]n1 ZINC001593473501 1094317573 /nfs/dbraw/zinc/31/75/73/1094317573.db2.gz FZJWFJDNWJABTI-UHFFFAOYSA-N -1 1 335.327 2.868 20 5 EFBDMM O=[N+]([O-])c1cc(N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)ccc1-c1nn[n-]n1 ZINC001593473679 1094318214 /nfs/dbraw/zinc/31/82/14/1094318214.db2.gz JHXWJPFZYRRCJC-USXIJHARSA-N -1 1 348.366 2.915 20 5 EFBDMM O=[N+]([O-])c1cc(Sc2nnc(C3CC3)s2)ccc1-c1nnn[n-]1 ZINC001593475132 1094318870 /nfs/dbraw/zinc/31/88/70/1094318870.db2.gz VEKREYTZSOJRSO-UHFFFAOYSA-N -1 1 347.385 2.655 20 5 EFBDMM O=[N+]([O-])c1cc(Sc2nnc(C3CC3)s2)ccc1-c1nn[n-]n1 ZINC001593475132 1094318879 /nfs/dbraw/zinc/31/88/79/1094318879.db2.gz VEKREYTZSOJRSO-UHFFFAOYSA-N -1 1 347.385 2.655 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2Cc2ccccc2)cc1-c1nnn[n-]1 ZINC001593478083 1094323147 /nfs/dbraw/zinc/32/31/47/1094323147.db2.gz AOOMKAGEJZYTKO-IUODEOHRSA-N -1 1 336.355 2.818 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2Cc2ccccc2)cc1-c1nn[n-]n1 ZINC001593478083 1094323153 /nfs/dbraw/zinc/32/31/53/1094323153.db2.gz AOOMKAGEJZYTKO-IUODEOHRSA-N -1 1 336.355 2.818 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@H](C2CC2)[C@H]2CCCCO2)cc1-c1nnn[n-]1 ZINC001593478983 1094323230 /nfs/dbraw/zinc/32/32/30/1094323230.db2.gz OHTZVIAIDLLAAC-HUUCEWRRSA-N -1 1 344.375 2.535 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@H](C2CC2)[C@H]2CCCCO2)cc1-c1nn[n-]n1 ZINC001593478983 1094323237 /nfs/dbraw/zinc/32/32/37/1094323237.db2.gz OHTZVIAIDLLAAC-HUUCEWRRSA-N -1 1 344.375 2.535 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCC[C@@H]2CCCC[C@H]2O)cc1-c1nnn[n-]1 ZINC001593478218 1094323549 /nfs/dbraw/zinc/32/35/49/1094323549.db2.gz RJGKPZSKZTWTHE-XHDPSFHLSA-N -1 1 346.391 2.518 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCC[C@@H]2CCCC[C@H]2O)cc1-c1nn[n-]n1 ZINC001593478218 1094323559 /nfs/dbraw/zinc/32/35/59/1094323559.db2.gz RJGKPZSKZTWTHE-XHDPSFHLSA-N -1 1 346.391 2.518 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCCC1CC(F)(F)C1 ZINC001593488926 1094329237 /nfs/dbraw/zinc/32/92/37/1094329237.db2.gz OLQXABRLCCNKFT-UHFFFAOYSA-N -1 1 330.320 2.684 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCCC1CC(F)(F)C1 ZINC001593488926 1094329245 /nfs/dbraw/zinc/32/92/45/1094329245.db2.gz OLQXABRLCCNKFT-UHFFFAOYSA-N -1 1 330.320 2.684 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCC[C@H]1CCCS1 ZINC001593487229 1094329376 /nfs/dbraw/zinc/32/93/76/1094329376.db2.gz ADJMCMFKSUGYNU-SSDOTTSWSA-N -1 1 326.407 2.534 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCC[C@H]1CCCS1 ZINC001593487229 1094329382 /nfs/dbraw/zinc/32/93/82/1094329382.db2.gz ADJMCMFKSUGYNU-SSDOTTSWSA-N -1 1 326.407 2.534 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NC[C@H]1Cc2ccccc21 ZINC001593487221 1094329947 /nfs/dbraw/zinc/32/99/47/1094329947.db2.gz ABSLIBHJIYDXEY-SECBINFHSA-N -1 1 328.357 2.588 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NC[C@H]1Cc2ccccc21 ZINC001593487221 1094329954 /nfs/dbraw/zinc/32/99/54/1094329954.db2.gz ABSLIBHJIYDXEY-SECBINFHSA-N -1 1 328.357 2.588 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCc1ccc(F)cc1F ZINC001593489118 1094332783 /nfs/dbraw/zinc/33/27/83/1094332783.db2.gz WOHLGRFYTJVQBM-UHFFFAOYSA-N -1 1 338.299 2.727 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCc1ccc(F)cc1F ZINC001593489118 1094332789 /nfs/dbraw/zinc/33/27/89/1094332789.db2.gz WOHLGRFYTJVQBM-UHFFFAOYSA-N -1 1 338.299 2.727 20 5 EFBDMM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001600155645 1094817981 /nfs/dbraw/zinc/81/79/81/1094817981.db2.gz QEITWXHRZXSKBZ-UHFFFAOYSA-N -1 1 330.296 2.868 20 5 EFBDMM Cc1cc(NCc2ccc3cncn3c2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600282325 1094942311 /nfs/dbraw/zinc/94/23/11/1094942311.db2.gz HYAJMVLHYNHOAN-UHFFFAOYSA-N -1 1 326.312 2.861 20 5 EFBDMM Cn1cc([C@@H](NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C(C)(C)C)cn1 ZINC001600941745 1095438406 /nfs/dbraw/zinc/43/84/06/1095438406.db2.gz XRGXAXSOQLXCMY-OAHLLOKOSA-N -1 1 346.387 2.904 20 5 EFBDMM Cn1cc([C@H](NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C(C)(C)C)cn1 ZINC001600941744 1095438521 /nfs/dbraw/zinc/43/85/21/1095438521.db2.gz XRGXAXSOQLXCMY-HNNXBMFYSA-N -1 1 346.387 2.904 20 5 EFBDMM O=C([O-])[C@H]1[C@H](CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1(F)F ZINC001601748753 1095887454 /nfs/dbraw/zinc/88/74/54/1095887454.db2.gz IRKMODAWGGEQJG-QWHCGFSZSA-N -1 1 326.299 2.525 20 5 EFBDMM O=C([O-])c1cc(-c2cccc([C@@H]3COCCN3)c2)cc([N+](=O)[O-])c1 ZINC001602236873 1096133681 /nfs/dbraw/zinc/13/36/81/1096133681.db2.gz KEXNJECMLNNMJE-INIZCTEOSA-N -1 1 328.324 2.621 20 5 EFBDMM O=C([O-])c1cc(C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)no1 ZINC001602252894 1096140017 /nfs/dbraw/zinc/14/00/17/1096140017.db2.gz OQIIGNSPBWFZEV-UHFFFAOYSA-N -1 1 331.328 2.661 20 5 EFBDMM O=C([O-])c1cc([N+](=O)[O-])c(NCc2n[nH]c(C3CC3)n2)cc1Cl ZINC001602298887 1096164520 /nfs/dbraw/zinc/16/45/20/1096164520.db2.gz IYVRAXODLUVSKB-UHFFFAOYSA-N -1 1 337.723 2.554 20 5 EFBDMM O=C([O-])c1ccc(-c2noc(-c3cc(O)cc([N+](=O)[O-])c3)n2)cc1 ZINC001602312278 1096173045 /nfs/dbraw/zinc/17/30/45/1096173045.db2.gz BRGIOZXASWDGCQ-UHFFFAOYSA-N -1 1 327.252 2.716 20 5 EFBDMM CC(C)(C)SCCSc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001603110427 1096445793 /nfs/dbraw/zinc/44/57/93/1096445793.db2.gz RIOHPHRGIZSSKF-UHFFFAOYSA-N -1 1 340.434 2.794 20 5 EFBDMM CC(C)(C)SCCSc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001603110427 1096445799 /nfs/dbraw/zinc/44/57/99/1096445799.db2.gz RIOHPHRGIZSSKF-UHFFFAOYSA-N -1 1 340.434 2.794 20 5 EFBDMM CC(C)[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCO1 ZINC001603241411 1096482120 /nfs/dbraw/zinc/48/21/20/1096482120.db2.gz RIJSETFEXGXLRJ-IAQYHMDHSA-N -1 1 346.391 2.638 20 5 EFBDMM CC(C)[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCO1 ZINC001603241411 1096482123 /nfs/dbraw/zinc/48/21/23/1096482123.db2.gz RIJSETFEXGXLRJ-IAQYHMDHSA-N -1 1 346.391 2.638 20 5 EFBDMM CC(C)[C@@H]1C[C@@H](CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCO1 ZINC001603241412 1096483220 /nfs/dbraw/zinc/48/32/20/1096483220.db2.gz RIJSETFEXGXLRJ-NHYWBVRUSA-N -1 1 346.391 2.638 20 5 EFBDMM CC(C)[C@@H]1C[C@@H](CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCO1 ZINC001603241412 1096483222 /nfs/dbraw/zinc/48/32/22/1096483222.db2.gz RIJSETFEXGXLRJ-NHYWBVRUSA-N -1 1 346.391 2.638 20 5 EFBDMM CC(C)[C@H]1OCCC[C@H]1CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603253908 1096486810 /nfs/dbraw/zinc/48/68/10/1096486810.db2.gz RJGLYJDFFAMRKB-XHDPSFHLSA-N -1 1 346.391 2.638 20 5 EFBDMM CC(C)[C@H]1OCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603253906 1096487216 /nfs/dbraw/zinc/48/72/16/1096487216.db2.gz RJGLYJDFFAMRKB-IAQYHMDHSA-N -1 1 346.391 2.638 20 5 EFBDMM CC(C)C[C@H]1C[C@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001603272487 1096491511 /nfs/dbraw/zinc/49/15/11/1096491511.db2.gz QEQXCLKFZONQNK-NEPJUHHUSA-N -1 1 346.391 2.781 20 5 EFBDMM CC(C)C[C@H]1C[C@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001603272487 1096491512 /nfs/dbraw/zinc/49/15/12/1096491512.db2.gz QEQXCLKFZONQNK-NEPJUHHUSA-N -1 1 346.391 2.781 20 5 EFBDMM CC1(C)C[C@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C(C)(C)O1 ZINC001603764645 1096618066 /nfs/dbraw/zinc/61/80/66/1096618066.db2.gz GXYOJGXCYVUPLI-LBPRGKRZSA-N -1 1 332.364 2.533 20 5 EFBDMM CC1(C)C[C@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C(C)(C)O1 ZINC001603764645 1096618068 /nfs/dbraw/zinc/61/80/68/1096618068.db2.gz GXYOJGXCYVUPLI-LBPRGKRZSA-N -1 1 332.364 2.533 20 5 EFBDMM CC1CCC(CNc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001603878219 1096653750 /nfs/dbraw/zinc/65/37/50/1096653750.db2.gz KUXFSRBCIVSQBI-UHFFFAOYSA-N -1 1 331.380 2.595 20 5 EFBDMM CC1CCC(CNc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001603878219 1096653753 /nfs/dbraw/zinc/65/37/53/1096653753.db2.gz KUXFSRBCIVSQBI-UHFFFAOYSA-N -1 1 331.380 2.595 20 5 EFBDMM C[C@H]1CCCC[C@H]1CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603890402 1096659809 /nfs/dbraw/zinc/65/98/09/1096659809.db2.gz CCGGSAMVHSUVIM-UWVGGRQHSA-N -1 1 331.380 2.595 20 5 EFBDMM C[C@H]1CCCC[C@H]1CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603890402 1096659817 /nfs/dbraw/zinc/65/98/17/1096659817.db2.gz CCGGSAMVHSUVIM-UWVGGRQHSA-N -1 1 331.380 2.595 20 5 EFBDMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]21 ZINC001603938637 1096676050 /nfs/dbraw/zinc/67/60/50/1096676050.db2.gz GAWHQBCNPTUXLN-SCDSUCTJSA-N -1 1 328.376 2.790 20 5 EFBDMM C[C@@H]1Oc2ccccc2[C@@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001603957980 1096682884 /nfs/dbraw/zinc/68/28/84/1096682884.db2.gz ZJUZBZDPVVWPLT-JVXZTZIISA-N -1 1 344.356 2.771 20 5 EFBDMM C[C@@H]1Oc2ccccc2[C@@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001603957980 1096682888 /nfs/dbraw/zinc/68/28/88/1096682888.db2.gz ZJUZBZDPVVWPLT-JVXZTZIISA-N -1 1 344.356 2.771 20 5 EFBDMM C[C@H]1c2ccsc2CCN1c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001603958390 1096683110 /nfs/dbraw/zinc/68/31/10/1096683110.db2.gz HSRIVZDTCLCPGW-VIFPVBQESA-N -1 1 342.384 2.960 20 5 EFBDMM C[C@H]1c2ccsc2CCN1c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001603958390 1096683114 /nfs/dbraw/zinc/68/31/14/1096683114.db2.gz HSRIVZDTCLCPGW-VIFPVBQESA-N -1 1 342.384 2.960 20 5 EFBDMM C[C@H]1Oc2ccccc2[C@@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001603957979 1096683123 /nfs/dbraw/zinc/68/31/23/1096683123.db2.gz ZJUZBZDPVVWPLT-JMCQJSRRSA-N -1 1 344.356 2.771 20 5 EFBDMM C[C@H]1Oc2ccccc2[C@@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001603957979 1096683126 /nfs/dbraw/zinc/68/31/26/1096683126.db2.gz ZJUZBZDPVVWPLT-JMCQJSRRSA-N -1 1 344.356 2.771 20 5 EFBDMM CCCC(O)(CCC)CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001604144220 1096751123 /nfs/dbraw/zinc/75/11/23/1096751123.db2.gz HHNDJSUXGFTYPI-UHFFFAOYSA-N -1 1 334.380 2.518 20 5 EFBDMM CCCC(O)(CCC)CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001604144220 1096751125 /nfs/dbraw/zinc/75/11/25/1096751125.db2.gz HHNDJSUXGFTYPI-UHFFFAOYSA-N -1 1 334.380 2.518 20 5 EFBDMM CCN(Cc1occc1C)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001604326937 1096812633 /nfs/dbraw/zinc/81/26/33/1096812633.db2.gz ICXMXXPLFXOBSZ-UHFFFAOYSA-N -1 1 328.332 2.703 20 5 EFBDMM CCN(Cc1occc1C)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001604326937 1096812636 /nfs/dbraw/zinc/81/26/36/1096812636.db2.gz ICXMXXPLFXOBSZ-UHFFFAOYSA-N -1 1 328.332 2.703 20 5 EFBDMM CCOc1cc(OCc2ccc(-c3nn[n-]n3)s2)ccc1[N+](=O)[O-] ZINC001604452342 1096862512 /nfs/dbraw/zinc/86/25/12/1096862512.db2.gz ULPXOAQVLLENOS-UHFFFAOYSA-N -1 1 347.356 2.814 20 5 EFBDMM CCSCC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001604481672 1096874934 /nfs/dbraw/zinc/87/49/34/1096874934.db2.gz MEQPEJRWSASQPQ-SNVBAGLBSA-N -1 1 336.421 2.743 20 5 EFBDMM CCc1ccc(CNc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)s1 ZINC001604524576 1096891927 /nfs/dbraw/zinc/89/19/27/1096891927.db2.gz SQGFHAFGOKETOZ-UHFFFAOYSA-N -1 1 345.388 2.593 20 5 EFBDMM CCc1ccc(CNc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)s1 ZINC001604524576 1096891934 /nfs/dbraw/zinc/89/19/34/1096891934.db2.gz SQGFHAFGOKETOZ-UHFFFAOYSA-N -1 1 345.388 2.593 20 5 EFBDMM CC1(C)CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)[C@H]1C1CC1 ZINC001604546450 1096900349 /nfs/dbraw/zinc/90/03/49/1096900349.db2.gz UQSGPFDPUHFLCZ-INIZCTEOSA-N -1 1 334.372 2.679 20 5 EFBDMM CO[C@H](CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC001605007672 1096998272 /nfs/dbraw/zinc/99/82/72/1096998272.db2.gz CTQGZQGGUZFVJN-CQSZACIVSA-N -1 1 340.343 2.575 20 5 EFBDMM CO[C@H](CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1 ZINC001605007672 1096998278 /nfs/dbraw/zinc/99/82/78/1096998278.db2.gz CTQGZQGGUZFVJN-CQSZACIVSA-N -1 1 340.343 2.575 20 5 EFBDMM COC1(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCCCC1 ZINC001605020064 1097003323 /nfs/dbraw/zinc/00/33/23/1097003323.db2.gz DUGYLPDXLRXSLC-UHFFFAOYSA-N -1 1 332.364 2.536 20 5 EFBDMM COC1(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCCCC1 ZINC001605020064 1097003327 /nfs/dbraw/zinc/00/33/27/1097003327.db2.gz DUGYLPDXLRXSLC-UHFFFAOYSA-N -1 1 332.364 2.536 20 5 EFBDMM COCCc1ccc(Oc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1 ZINC001605123487 1097027309 /nfs/dbraw/zinc/02/73/09/1097027309.db2.gz UVSHHQBUYBHDGO-UHFFFAOYSA-N -1 1 341.327 2.756 20 5 EFBDMM COCCc1ccc(Oc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC001605123487 1097027315 /nfs/dbraw/zinc/02/73/15/1097027315.db2.gz UVSHHQBUYBHDGO-UHFFFAOYSA-N -1 1 341.327 2.756 20 5 EFBDMM CCCCCCN(C)CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001605267588 1097074251 /nfs/dbraw/zinc/07/42/51/1097074251.db2.gz PHMYCHNOIYPMGI-UHFFFAOYSA-N -1 1 337.376 2.744 20 5 EFBDMM CS[C@@H]1CCC[C@@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001605370754 1097107155 /nfs/dbraw/zinc/10/71/55/1097107155.db2.gz GUSHBHNARFKDPB-HTQZYQBOSA-N -1 1 340.434 2.923 20 5 EFBDMM CS[C@@H]1CCC[C@@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001605370754 1097107156 /nfs/dbraw/zinc/10/71/56/1097107156.db2.gz GUSHBHNARFKDPB-HTQZYQBOSA-N -1 1 340.434 2.923 20 5 EFBDMM Cc1cc(-c2nnn[n-]2)nc(Oc2ccc([N+](=O)[O-])c3ccccc23)n1 ZINC001605584856 1097162909 /nfs/dbraw/zinc/16/29/09/1097162909.db2.gz BFKWFNBWVARQOP-UHFFFAOYSA-N -1 1 349.310 2.819 20 5 EFBDMM Cc1cc(-c2nn[n-]n2)nc(Oc2ccc([N+](=O)[O-])c3ccccc23)n1 ZINC001605584856 1097162912 /nfs/dbraw/zinc/16/29/12/1097162912.db2.gz BFKWFNBWVARQOP-UHFFFAOYSA-N -1 1 349.310 2.819 20 5 EFBDMM Cc1cc([C@H](C)Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)c(C)o1 ZINC001605634161 1097175669 /nfs/dbraw/zinc/17/56/69/1097175669.db2.gz AUMNXTPPGBTLLB-QMMMGPOBSA-N -1 1 343.347 2.740 20 5 EFBDMM Cc1cc([C@H](C)Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)c(C)o1 ZINC001605634161 1097175673 /nfs/dbraw/zinc/17/56/73/1097175673.db2.gz AUMNXTPPGBTLLB-QMMMGPOBSA-N -1 1 343.347 2.740 20 5 EFBDMM Cc1cc(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc(Cl)n1 ZINC001605661617 1097183739 /nfs/dbraw/zinc/18/37/39/1097183739.db2.gz CGGBLZJWEYUWCU-UHFFFAOYSA-N -1 1 345.750 2.744 20 5 EFBDMM Cc1cc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc(Cl)n1 ZINC001605661617 1097183742 /nfs/dbraw/zinc/18/37/42/1097183742.db2.gz CGGBLZJWEYUWCU-UHFFFAOYSA-N -1 1 345.750 2.744 20 5 EFBDMM Cc1cc(OCc2ccc(-c3nnn[n-]3)o2)c(Cl)cc1[N+](=O)[O-] ZINC001605747129 1097215620 /nfs/dbraw/zinc/21/56/20/1097215620.db2.gz GBHSMPFBJWWWIM-UHFFFAOYSA-N -1 1 335.707 2.909 20 5 EFBDMM Cc1cc(OCc2ccc(-c3nn[n-]n3)o2)c(Cl)cc1[N+](=O)[O-] ZINC001605747129 1097215624 /nfs/dbraw/zinc/21/56/24/1097215624.db2.gz GBHSMPFBJWWWIM-UHFFFAOYSA-N -1 1 335.707 2.909 20 5 EFBDMM Cc1csc([C@H](C)Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)n1 ZINC001606001820 1097295063 /nfs/dbraw/zinc/29/50/63/1097295063.db2.gz WZTGVPCAZXWFQT-QMMMGPOBSA-N -1 1 331.361 2.713 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC[C@@H](C2CCC2)C1 ZINC001607076588 1097505760 /nfs/dbraw/zinc/50/57/60/1097505760.db2.gz AHVOIJDAKUVYEJ-GFCCVEGCSA-N -1 1 328.376 2.791 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC[C@@H](C2CCC2)C1 ZINC001607076588 1097505765 /nfs/dbraw/zinc/50/57/65/1097505765.db2.gz AHVOIJDAKUVYEJ-GFCCVEGCSA-N -1 1 328.376 2.791 20 5 EFBDMM O=[N+]([O-])c1cc(N2CCc3cccc(F)c32)ccc1-c1nn[n-]n1 ZINC001607078813 1097506423 /nfs/dbraw/zinc/50/64/23/1097506423.db2.gz OCOQGRLGGONYGD-UHFFFAOYSA-N -1 1 326.291 2.608 20 5 EFBDMM O=[N+]([O-])c1c(N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cccc1-c1nnn[n-]1 ZINC001607078181 1097506505 /nfs/dbraw/zinc/50/65/05/1097506505.db2.gz NEYWQMYTXYHNFJ-FKTZTGRPSA-N -1 1 336.302 2.621 20 5 EFBDMM O=[N+]([O-])c1c(N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cccc1-c1nn[n-]n1 ZINC001607078181 1097506510 /nfs/dbraw/zinc/50/65/10/1097506510.db2.gz NEYWQMYTXYHNFJ-FKTZTGRPSA-N -1 1 336.302 2.621 20 5 EFBDMM O=[N+]([O-])c1cc(NCCC[C@@H]2CCCC[C@H]2O)ccc1-c1nn[n-]n1 ZINC001607078863 1097506536 /nfs/dbraw/zinc/50/65/36/1097506536.db2.gz ATPAMXIVMXBNPU-XHDPSFHLSA-N -1 1 346.391 2.518 20 5 EFBDMM O=[N+]([O-])c1c(N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cccc1-c1nnn[n-]1 ZINC001607078183 1097507351 /nfs/dbraw/zinc/50/73/51/1097507351.db2.gz NEYWQMYTXYHNFJ-QNSHHTMESA-N -1 1 336.302 2.621 20 5 EFBDMM O=[N+]([O-])c1c(N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cccc1-c1nn[n-]n1 ZINC001607078183 1097507355 /nfs/dbraw/zinc/50/73/55/1097507355.db2.gz NEYWQMYTXYHNFJ-QNSHHTMESA-N -1 1 336.302 2.621 20 5 EFBDMM O=[N+]([O-])c1cc(N2CCc3ccc(F)cc32)ccc1-c1nn[n-]n1 ZINC001607079019 1097507441 /nfs/dbraw/zinc/50/74/41/1097507441.db2.gz VCMFKEQFIWKEQX-UHFFFAOYSA-N -1 1 326.291 2.608 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H](C2CCC2)[C@@H]2CCCO2)cc1-c1nnn[n-]1 ZINC001607082660 1097508709 /nfs/dbraw/zinc/50/87/09/1097508709.db2.gz RAQHYZQUQWYPMC-GJZGRUSLSA-N -1 1 344.375 2.535 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H](C2CCC2)[C@@H]2CCCO2)cc1-c1nn[n-]n1 ZINC001607082660 1097508714 /nfs/dbraw/zinc/50/87/14/1097508714.db2.gz RAQHYZQUQWYPMC-GJZGRUSLSA-N -1 1 344.375 2.535 20 5 EFBDMM O=[N+]([O-])c1ccc(CSc2cccnc2-c2nnn[n-]2)c(F)c1 ZINC001607081292 1097509081 /nfs/dbraw/zinc/50/90/81/1097509081.db2.gz GTHZHKBIYSXISS-UHFFFAOYSA-N -1 1 332.320 2.601 20 5 EFBDMM O=[N+]([O-])c1ccc(CSc2cccnc2-c2nn[n-]n2)c(F)c1 ZINC001607081292 1097509084 /nfs/dbraw/zinc/50/90/84/1097509084.db2.gz GTHZHKBIYSXISS-UHFFFAOYSA-N -1 1 332.320 2.601 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCC(C(F)(F)F)CC1 ZINC001607086431 1097509725 /nfs/dbraw/zinc/50/97/25/1097509725.db2.gz XKADMRRCXPQNRR-UHFFFAOYSA-N -1 1 348.310 2.615 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCC(C(F)(F)F)CC1 ZINC001607086431 1097509729 /nfs/dbraw/zinc/50/97/29/1097509729.db2.gz XKADMRRCXPQNRR-UHFFFAOYSA-N -1 1 348.310 2.615 20 5 EFBDMM COc1ccc([C@@H](NCc2cccc([N+](=O)[O-])c2C)C(=O)[O-])cc1O ZINC001607235621 1097569501 /nfs/dbraw/zinc/56/95/01/1097569501.db2.gz WDNSWXSCJVICAY-MRXNPFEDSA-N -1 1 346.339 2.533 20 5 EFBDMM C[C@H](CO)N(Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001607453378 1097632189 /nfs/dbraw/zinc/63/21/89/1097632189.db2.gz BFRVPTYPPGOEHB-CYBMUJFWSA-N -1 1 344.367 2.676 20 5 EFBDMM O=C([O-])c1cnc(Nc2ccn(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC001608978817 1098097456 /nfs/dbraw/zinc/09/74/56/1098097456.db2.gz TXYMMKYGNUGPRT-UHFFFAOYSA-N -1 1 325.284 2.617 20 5 EFBDMM CC(C)(C)CCCCNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609075181 1098132291 /nfs/dbraw/zinc/13/22/91/1098132291.db2.gz AHXHFRAFLULMTB-UHFFFAOYSA-N -1 1 333.396 2.985 20 5 EFBDMM CC(C)(C)CCCCNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609075181 1098132295 /nfs/dbraw/zinc/13/22/95/1098132295.db2.gz AHXHFRAFLULMTB-UHFFFAOYSA-N -1 1 333.396 2.985 20 5 EFBDMM CC(C)[C@H]1CCC[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001609091264 1098140060 /nfs/dbraw/zinc/14/00/60/1098140060.db2.gz MTNQFNYVTOXXEE-QWRGUYRKSA-N -1 1 345.407 2.984 20 5 EFBDMM CC(C)[C@H]1CCC[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001609091264 1098140065 /nfs/dbraw/zinc/14/00/65/1098140065.db2.gz MTNQFNYVTOXXEE-QWRGUYRKSA-N -1 1 345.407 2.984 20 5 EFBDMM C[C@H]1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)C2)C1 ZINC001609162960 1098175844 /nfs/dbraw/zinc/17/58/44/1098175844.db2.gz ONQDIBOPERCQQF-ZBEGNZNMSA-N -1 1 328.376 2.791 20 5 EFBDMM C[C@H]1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)C2)C1 ZINC001609162959 1098175922 /nfs/dbraw/zinc/17/59/22/1098175922.db2.gz ONQDIBOPERCQQF-MEDUHNTESA-N -1 1 328.376 2.791 20 5 EFBDMM CCN(Cc1occc1C)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609227007 1098212591 /nfs/dbraw/zinc/21/25/91/1098212591.db2.gz YSIRCROCJOVDMN-UHFFFAOYSA-N -1 1 328.332 2.703 20 5 EFBDMM COC1(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCC(C)CC1 ZINC001609312111 1098245001 /nfs/dbraw/zinc/24/50/01/1098245001.db2.gz RWVREEOWSNCUMQ-UHFFFAOYSA-N -1 1 346.391 2.782 20 5 EFBDMM COc1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC001609352566 1098262152 /nfs/dbraw/zinc/26/21/52/1098262152.db2.gz HUVNRFRLZGYVOM-JTQLQIEISA-N -1 1 340.343 2.957 20 5 EFBDMM CS[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001609370220 1098269378 /nfs/dbraw/zinc/26/93/78/1098269378.db2.gz YGZMWVDSASGUFS-KOLCDFICSA-N -1 1 334.405 2.861 20 5 EFBDMM CS[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001609370220 1098269380 /nfs/dbraw/zinc/26/93/80/1098269380.db2.gz YGZMWVDSASGUFS-KOLCDFICSA-N -1 1 334.405 2.861 20 5 EFBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1sccc1-c1nn[nH]n1 ZINC001609385656 1098278596 /nfs/dbraw/zinc/27/85/96/1098278596.db2.gz PMWVCVJODJOWQL-UHFFFAOYSA-N -1 1 348.319 2.536 20 5 EFBDMM Cc1cc(OCc2ccnc(-c3nnn[n-]3)c2)c(Cl)cc1[N+](=O)[O-] ZINC001609411710 1098299180 /nfs/dbraw/zinc/29/91/80/1098299180.db2.gz YAWZPMCHYVSRDX-UHFFFAOYSA-N -1 1 346.734 2.711 20 5 EFBDMM Cc1cc(OCc2ccnc(-c3nn[n-]n3)c2)c(Cl)cc1[N+](=O)[O-] ZINC001609411710 1098299183 /nfs/dbraw/zinc/29/91/83/1098299183.db2.gz YAWZPMCHYVSRDX-UHFFFAOYSA-N -1 1 346.734 2.711 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H](C1CCC1)C1CCCC1 ZINC001609599529 1098393969 /nfs/dbraw/zinc/39/39/69/1098393969.db2.gz IRFYSXOWYLCUSR-CYBMUJFWSA-N -1 1 343.391 2.941 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H](C1CCC1)C1CCCC1 ZINC001609599529 1098393975 /nfs/dbraw/zinc/39/39/75/1098393975.db2.gz IRFYSXOWYLCUSR-CYBMUJFWSA-N -1 1 343.391 2.941 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC[C@H](C2CCCC2)C1 ZINC001609599656 1098395123 /nfs/dbraw/zinc/39/51/23/1098395123.db2.gz SSDCQROXVGEDSL-LBPRGKRZSA-N -1 1 328.376 2.791 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC[C@H](C2CCCC2)C1 ZINC001609599656 1098395127 /nfs/dbraw/zinc/39/51/27/1098395127.db2.gz SSDCQROXVGEDSL-LBPRGKRZSA-N -1 1 328.376 2.791 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCOC2CCCCC2)cc1-c1nnn[n-]1 ZINC001609602200 1098396641 /nfs/dbraw/zinc/39/66/41/1098396641.db2.gz QGMZDCRLDWRPPZ-UHFFFAOYSA-N -1 1 332.364 2.536 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCOC2CCCCC2)cc1-c1nn[n-]n1 ZINC001609602200 1098396645 /nfs/dbraw/zinc/39/66/45/1098396645.db2.gz QGMZDCRLDWRPPZ-UHFFFAOYSA-N -1 1 332.364 2.536 20 5 EFBDMM C[C@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001609782399 1098457079 /nfs/dbraw/zinc/45/70/79/1098457079.db2.gz YSRRKAJBWUBVCT-JTQLQIEISA-N -1 1 344.323 2.873 20 5 EFBDMM O=C([O-])COc1ccc(CN2CCC(C3CC3)CC2)cc1[N+](=O)[O-] ZINC001610786402 1098884800 /nfs/dbraw/zinc/88/48/00/1098884800.db2.gz GESNYUXPASESBG-UHFFFAOYSA-N -1 1 334.372 2.680 20 5 EFBDMM CCN(CCNc1ccc(C)cc1[N+](=O)[O-])C(=O)c1ncccc1[O-] ZINC001106727410 1111767975 /nfs/dbraw/zinc/76/79/75/1111767975.db2.gz PECYSNRWDUZDFX-UHFFFAOYSA-N -1 1 344.371 2.578 20 5 EFBDMM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000189906645 237387634 /nfs/dbraw/zinc/38/76/34/237387634.db2.gz UGFFDGAKFPNADY-FZMZJTMJSA-N -1 1 327.340 2.714 20 5 EFBDMM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000189906590 237388432 /nfs/dbraw/zinc/38/84/32/237388432.db2.gz UGFFDGAKFPNADY-BXUZGUMPSA-N -1 1 327.340 2.714 20 5 EFBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1c(F)cccc1Cl ZINC000193669009 240122216 /nfs/dbraw/zinc/12/22/16/240122216.db2.gz KDKUBCJRBQYRLM-SSDOTTSWSA-N -1 1 339.710 2.979 20 5 EFBDMM CCCOCc1ccccc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193432834 240162400 /nfs/dbraw/zinc/16/24/00/240162400.db2.gz SNDSFSSDERIFAR-UHFFFAOYSA-N -1 1 345.355 2.552 20 5 EFBDMM Cc1ccc(SC[C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000194022226 240135974 /nfs/dbraw/zinc/13/59/74/240135974.db2.gz UINVLOJEBGYBJJ-LLVKDONJSA-N -1 1 347.396 2.914 20 5 EFBDMM CCN(CCOc1ccccc1C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000421962140 246186054 /nfs/dbraw/zinc/18/60/54/246186054.db2.gz GJINWVRBNMWBTF-UHFFFAOYSA-N -1 1 345.355 2.545 20 5 EFBDMM COc1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1[N+](=O)[O-] ZINC000426803055 247301652 /nfs/dbraw/zinc/30/16/52/247301652.db2.gz ZYPGRZZTWMREBH-HNNXBMFYSA-N -1 1 334.303 2.658 20 5 EFBDMM CCSc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2OC)s1 ZINC000427124422 247319353 /nfs/dbraw/zinc/31/93/53/247319353.db2.gz RJTSCINOXSQMDF-UHFFFAOYSA-N -1 1 340.386 2.819 20 5 EFBDMM COc1ccc([C@H](C)CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000439923198 249876373 /nfs/dbraw/zinc/87/63/73/249876373.db2.gz MUWGWESTCVZEEM-LLVKDONJSA-N -1 1 345.355 2.628 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCSC2(CCCCC2)C1 ZINC000187172682 296283490 /nfs/dbraw/zinc/28/34/90/296283490.db2.gz UHJCOYFQXZSYIG-UHFFFAOYSA-N -1 1 337.401 2.587 20 5 EFBDMM CCNc1ccc(C(=O)OCC)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000268613665 252068621 /nfs/dbraw/zinc/06/86/21/252068621.db2.gz SGLMGTMAQYMEME-UHFFFAOYSA-N -1 1 346.343 2.784 20 5 EFBDMM CN(Cc1nc(=O)c2sccc2[n-]1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000344879721 142091859 /nfs/dbraw/zinc/09/18/59/142091859.db2.gz GESXCIRUXWKDKF-UHFFFAOYSA-N -1 1 346.368 2.643 20 5 EFBDMM CCOc1cc(C(=O)Nc2nc(C)ccc2[O-])c([N+](=O)[O-])cc1OC ZINC000346006903 142132315 /nfs/dbraw/zinc/13/23/15/142132315.db2.gz ZYVJEFWGAXHQEP-UHFFFAOYSA-N -1 1 347.327 2.663 20 5 EFBDMM Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc2n[nH]cc21 ZINC000346496580 142212228 /nfs/dbraw/zinc/21/22/28/142212228.db2.gz YJQNQKQWDAWJHK-UHFFFAOYSA-N -1 1 346.368 2.889 20 5 EFBDMM Cc1cnn(Cc2ccccc2F)c1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000347763673 142267979 /nfs/dbraw/zinc/26/79/79/142267979.db2.gz FZGLMCOONPKNBY-UHFFFAOYSA-N -1 1 343.318 2.868 20 5 EFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(CC(C)C)n[nH]1 ZINC000350683823 146080031 /nfs/dbraw/zinc/08/00/31/146080031.db2.gz IDPYKBZOICLPCE-UHFFFAOYSA-N -1 1 338.389 2.626 20 5 EFBDMM O=C(NC1CC(c2ccc(F)cc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000351259739 146119140 /nfs/dbraw/zinc/11/91/40/146119140.db2.gz VAQHFRBVOUZCOB-UHFFFAOYSA-N -1 1 331.303 2.511 20 5 EFBDMM Cc1cc(Br)c(O)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000351574004 146149394 /nfs/dbraw/zinc/14/93/94/146149394.db2.gz LTOVQYXLOYXLNY-UHFFFAOYSA-N -1 1 340.133 2.952 20 5 EFBDMM Cc1nc(SCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[n-]c(=O)c1C ZINC000352903114 146344911 /nfs/dbraw/zinc/34/49/11/146344911.db2.gz RHVLPWWJBUHNTR-UHFFFAOYSA-N -1 1 331.357 2.876 20 5 EFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cccc(Cn4ccnc4)c3)no2)[n-]1 ZINC000356006166 147121356 /nfs/dbraw/zinc/12/13/56/147121356.db2.gz HXEUDDYCONUTSD-UHFFFAOYSA-N -1 1 336.311 2.885 20 5 EFBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)CCC3CC3)n[nH]2)c1 ZINC000356035118 147128944 /nfs/dbraw/zinc/12/89/44/147128944.db2.gz JRALSJMMCXTJDF-UHFFFAOYSA-N -1 1 336.373 2.527 20 5 EFBDMM COc1ccc(CN[C@@H](CC(=O)[O-])c2ccsc2)cc1[N+](=O)[O-] ZINC000277066588 273145475 /nfs/dbraw/zinc/14/54/75/273145475.db2.gz UWIVDBPLGHEPNG-LBPRGKRZSA-N -1 1 336.369 2.971 20 5 EFBDMM O=C(N[C@@H]1CCCc2ccc(F)cc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000279795866 273254442 /nfs/dbraw/zinc/25/44/42/273254442.db2.gz LFSUYPWJNHOCQS-CYBMUJFWSA-N -1 1 331.303 2.642 20 5 EFBDMM COC(=O)c1cc([N-]C(=O)c2cc(C3CC3)no2)c(C)c([N+](=O)[O-])c1 ZINC000281820050 273472647 /nfs/dbraw/zinc/47/26/47/273472647.db2.gz LQGYOIAASNUQQP-UHFFFAOYSA-N -1 1 345.311 2.808 20 5 EFBDMM COCCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1OC ZINC000287167154 274358604 /nfs/dbraw/zinc/35/86/04/274358604.db2.gz YUUOFTQGIBVCKQ-UHFFFAOYSA-N -1 1 349.343 2.599 20 5 EFBDMM CC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000288997167 274690505 /nfs/dbraw/zinc/69/05/05/274690505.db2.gz SWBVNRPTXMCFTE-ZCFIWIBFSA-N -1 1 327.189 2.978 20 5 EFBDMM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000129332723 280016710 /nfs/dbraw/zinc/01/67/10/280016710.db2.gz JKZTTZACHHKNQV-JQWIXIFHSA-N -1 1 345.330 2.853 20 5 EFBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1[N+](=O)[O-] ZINC000132886274 293240773 /nfs/dbraw/zinc/24/07/73/293240773.db2.gz YTRWGFXNWMGVHK-UHFFFAOYSA-N -1 1 334.353 2.734 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000290774848 294181846 /nfs/dbraw/zinc/18/18/46/294181846.db2.gz VSINICHZYGEXDY-NSHDSACASA-N -1 1 345.321 2.798 20 5 EFBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1C[C@H]2CCCCN2c2ccccc21 ZINC000293947499 295085060 /nfs/dbraw/zinc/08/50/60/295085060.db2.gz ABKUKYKIUCESCU-GFCCVEGCSA-N -1 1 326.356 2.942 20 5 EFBDMM O=C([N-]c1nnc(C2CCOCC2)s1)c1csc([N+](=O)[O-])c1 ZINC000294121073 295114543 /nfs/dbraw/zinc/11/45/43/295114543.db2.gz KFUVYRPTQQAZLK-UHFFFAOYSA-N -1 1 340.386 2.654 20 5 EFBDMM O=C(NC[C@H](c1ccccc1)C1CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000294671838 295205055 /nfs/dbraw/zinc/20/50/55/295205055.db2.gz SGRWVZVFKXTNTE-CQSZACIVSA-N -1 1 327.340 2.619 20 5 EFBDMM O=C(Nc1ccccc1NC(=O)N1CCCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000299009327 311041443 /nfs/dbraw/zinc/04/14/43/311041443.db2.gz KOJNZIKCHIUTHM-UHFFFAOYSA-N -1 1 343.343 2.803 20 5 EFBDMM C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)n2)C1 ZINC000299118052 311053188 /nfs/dbraw/zinc/05/31/88/311053188.db2.gz HQJAYACUUQDHOC-SNVBAGLBSA-N -1 1 349.416 2.864 20 5 EFBDMM CCOC(=O)c1c[n-]c(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)n1 ZINC000415645272 312161606 /nfs/dbraw/zinc/16/16/06/312161606.db2.gz HTZQSNAKVNFDHW-UHFFFAOYSA-N -1 1 346.343 2.672 20 5 EFBDMM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000438591502 312621217 /nfs/dbraw/zinc/62/12/17/312621217.db2.gz ZCHXIGBNLFCHBZ-WCQYABFASA-N -1 1 333.731 2.635 20 5 EFBDMM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1[O-] ZINC000521905919 316052223 /nfs/dbraw/zinc/05/22/23/316052223.db2.gz NJRVWJVBXHYIJP-UHFFFAOYSA-N -1 1 336.731 2.763 20 5 EFBDMM Cc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525174578 316193629 /nfs/dbraw/zinc/19/36/29/316193629.db2.gz LWGKYTGACMZREV-UHFFFAOYSA-N -1 1 349.412 2.554 20 5 EFBDMM CC(C)CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525176034 316194231 /nfs/dbraw/zinc/19/42/31/316194231.db2.gz GEDMPQDKABOFFY-STQMWFEESA-N -1 1 341.433 2.873 20 5 EFBDMM Cc1cccc(C(C)(C)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000525185280 316195011 /nfs/dbraw/zinc/19/50/11/316195011.db2.gz UDCZROQBCWYVAQ-UHFFFAOYSA-N -1 1 349.412 2.554 20 5 EFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1c1ccccc1 ZINC000525687714 316226945 /nfs/dbraw/zinc/22/69/45/316226945.db2.gz MVAPXZXEUZOLGD-KGLIPLIRSA-N -1 1 347.396 2.604 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2ccccc2F)CC1 ZINC000565401660 318966220 /nfs/dbraw/zinc/96/62/20/318966220.db2.gz ZZFBYYMMJOFWMH-UHFFFAOYSA-N -1 1 345.330 2.854 20 5 EFBDMM COc1cc([N+](=O)[O-])ccc1CN1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000569110082 319349468 /nfs/dbraw/zinc/34/94/68/319349468.db2.gz FOAHVECRFOVLHO-QGZVFWFLSA-N -1 1 342.351 2.787 20 5 EFBDMM CC(C)(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000574100785 319830079 /nfs/dbraw/zinc/83/00/79/319830079.db2.gz CFRPUJYKOMJFMY-UHFFFAOYSA-N -1 1 337.282 2.639 20 5 EFBDMM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])CCC2 ZINC000574192856 319839592 /nfs/dbraw/zinc/83/95/92/319839592.db2.gz GSCWILBNDVHDPP-AWEZNQCLSA-N -1 1 347.396 2.654 20 5 EFBDMM CN(Cc1ccc(Cl)s1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000102753396 472591894 /nfs/dbraw/zinc/59/18/94/472591894.db2.gz XTWAUSJWPAIFQC-UHFFFAOYSA-N -1 1 327.749 2.683 20 5 EFBDMM O=C(Nc1nnc(/C=C\c2ccco2)s1)c1ccc([N+](=O)[O-])[n-]1 ZINC000611218006 469196869 /nfs/dbraw/zinc/19/68/69/469196869.db2.gz DSXYQYBBYZMCLT-UTCJRWHESA-N -1 1 331.313 2.790 20 5 EFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCS[C@@H](c2ccccc2)C1 ZINC000593901160 479503459 /nfs/dbraw/zinc/50/34/59/479503459.db2.gz SOSXMZDWUQJVNP-CQSZACIVSA-N -1 1 345.380 2.626 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000007053281 471587503 /nfs/dbraw/zinc/58/75/03/471587503.db2.gz SMCAWAGMMRIWRK-UHFFFAOYSA-N -1 1 328.296 2.982 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000053209669 471983554 /nfs/dbraw/zinc/98/35/54/471983554.db2.gz LPCYZNCDKCKSEC-UHFFFAOYSA-N -1 1 346.324 2.967 20 5 EFBDMM O=C([N-]c1ncn(Cc2ccccc2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000054114223 472057949 /nfs/dbraw/zinc/05/79/49/472057949.db2.gz LOPMIIQBVAFXOF-UHFFFAOYSA-N -1 1 341.302 2.626 20 5 EFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000030529827 472337214 /nfs/dbraw/zinc/33/72/14/472337214.db2.gz FTFNUEINKYXJAL-UHFFFAOYSA-N -1 1 328.296 2.982 20 5 EFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)CCO2 ZINC000030530479 472337303 /nfs/dbraw/zinc/33/73/03/472337303.db2.gz BHKIOHWZCOUPPJ-UHFFFAOYSA-N -1 1 334.353 2.639 20 5 EFBDMM Cc1ccc(-c2n[nH]c(NC(=O)Cc3cccc([N+](=O)[O-])c3C)n2)o1 ZINC000119674472 472574626 /nfs/dbraw/zinc/57/46/26/472574626.db2.gz FHEJINCZJMIRCQ-UHFFFAOYSA-N -1 1 341.327 2.771 20 5 EFBDMM Cc1n[n-]c(=S)n1CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000091735292 472799400 /nfs/dbraw/zinc/79/94/00/472799400.db2.gz PABCCJAVFPVNBX-UHFFFAOYSA-N -1 1 349.416 2.513 20 5 EFBDMM CCOC(=O)CC[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092073549 472853337 /nfs/dbraw/zinc/85/33/37/472853337.db2.gz VMPVTVUBNUEFON-CYBMUJFWSA-N -1 1 336.388 2.856 20 5 EFBDMM CCCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092399992 472906862 /nfs/dbraw/zinc/90/68/62/472906862.db2.gz OSUIDMJJYPQBEJ-UONOGXRCSA-N -1 1 349.431 2.817 20 5 EFBDMM O=C([N-]c1nnc(-c2ccccn2)s1)c1ccc(F)cc1[N+](=O)[O-] ZINC000122302216 472998355 /nfs/dbraw/zinc/99/83/55/472998355.db2.gz ALURGCOAHXQKMP-UHFFFAOYSA-N -1 1 345.315 2.900 20 5 EFBDMM Cc1noc([N-]C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000051374841 473043972 /nfs/dbraw/zinc/04/39/72/473043972.db2.gz IXWUPGJUCAUISZ-UHFFFAOYSA-N -1 1 331.313 2.662 20 5 EFBDMM O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccncc1[O-] ZINC000109889016 473133897 /nfs/dbraw/zinc/13/38/97/473133897.db2.gz JVMQGBJNAKHZDO-UHFFFAOYSA-N -1 1 345.358 2.894 20 5 EFBDMM COc1ccc([C@@H](C)CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000185731735 473500042 /nfs/dbraw/zinc/50/00/42/473500042.db2.gz DZPYFFGTOAQLHC-NSHDSACASA-N -1 1 345.355 2.628 20 5 EFBDMM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC[C@@H]1c1ccccc1 ZINC000185737956 473501035 /nfs/dbraw/zinc/50/10/35/473501035.db2.gz SKWCIWJPUVINAT-DOMZBBRYSA-N -1 1 341.367 2.961 20 5 EFBDMM COc1cc2nc(-c3cccc([N+](=O)[O-])c3)[n-]c(=O)c2cc1OC ZINC000114745918 473502324 /nfs/dbraw/zinc/50/23/24/473502324.db2.gz HYJKIDSLUYLJQY-UHFFFAOYSA-N -1 1 327.296 2.516 20 5 EFBDMM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[nH]n1 ZINC000126775153 473544276 /nfs/dbraw/zinc/54/42/76/473544276.db2.gz HDKWOECAIVNSFI-UHFFFAOYSA-N -1 1 338.389 2.707 20 5 EFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)cc1 ZINC000126822709 473549406 /nfs/dbraw/zinc/54/94/06/473549406.db2.gz NLJHUOYFMZGABX-UHFFFAOYSA-N -1 1 336.373 2.776 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(Cc2ccccc2)CC1 ZINC000186766565 473751638 /nfs/dbraw/zinc/75/16/38/473751638.db2.gz ZZBXCPHUAZNCDG-UHFFFAOYSA-N -1 1 341.367 2.790 20 5 EFBDMM O=C(N[C@H]1CCSc2ccc(F)cc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186801231 473759555 /nfs/dbraw/zinc/75/95/55/473759555.db2.gz VNOYGUDTQHJLBS-NSHDSACASA-N -1 1 349.343 2.801 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccc(F)cc1)C1CC1 ZINC000186832717 473766773 /nfs/dbraw/zinc/76/67/73/473766773.db2.gz FLXWDEYOMRXVBJ-UHFFFAOYSA-N -1 1 331.303 2.639 20 5 EFBDMM O=C([O-])c1ccc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000263572355 473781410 /nfs/dbraw/zinc/78/14/10/473781410.db2.gz KVUHRPHJNDGGTB-UHFFFAOYSA-N -1 1 341.367 2.615 20 5 EFBDMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000187052586 473808646 /nfs/dbraw/zinc/80/86/46/473808646.db2.gz WXORTRZYUXCEJL-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM O=C(NCC1(Cc2ccccc2)CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187183773 473831858 /nfs/dbraw/zinc/83/18/58/473831858.db2.gz CZOWWWRDLGWDCX-UHFFFAOYSA-N -1 1 341.367 2.838 20 5 EFBDMM Cc1ccc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000281963833 473900937 /nfs/dbraw/zinc/90/09/37/473900937.db2.gz SYSKRBVPQWAVGI-UHFFFAOYSA-N -1 1 345.321 2.798 20 5 EFBDMM CN(CCc1cccc([N+](=O)[O-])c1)Cc1nc(=O)c2sccc2[n-]1 ZINC000282341823 474029777 /nfs/dbraw/zinc/02/97/77/474029777.db2.gz BYPSWFZBIAFAEL-UHFFFAOYSA-N -1 1 344.396 2.980 20 5 EFBDMM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000176525111 474492924 /nfs/dbraw/zinc/49/29/24/474492924.db2.gz RJFQBEOCUDKXHI-SMDDNHRTSA-N -1 1 327.340 2.714 20 5 EFBDMM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000266927261 474533829 /nfs/dbraw/zinc/53/38/29/474533829.db2.gz KVPGWQKSBBEDRP-TZMCWYRMSA-N -1 1 341.367 2.789 20 5 EFBDMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266985015 474556695 /nfs/dbraw/zinc/55/66/95/474556695.db2.gz HDKIOKLPAPCLIG-QMMMGPOBSA-N -1 1 348.384 2.612 20 5 EFBDMM CC(C)(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1cccc(F)c1 ZINC000345212359 474995863 /nfs/dbraw/zinc/99/58/63/474995863.db2.gz UOUKNYIDWZQCGM-UHFFFAOYSA-N -1 1 333.319 2.542 20 5 EFBDMM CC(C)CCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000345680243 475360968 /nfs/dbraw/zinc/36/09/68/475360968.db2.gz ZBIYYOCBOVMBPF-UHFFFAOYSA-N -1 1 338.389 2.707 20 5 EFBDMM O=C(c1cncc([O-])c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000339892873 475595917 /nfs/dbraw/zinc/59/59/17/475595917.db2.gz BBACDXIIRCNFNT-HNNXBMFYSA-N -1 1 331.353 2.583 20 5 EFBDMM COc1c(C(=O)[N-]c2nnc(-c3ccco3)s2)cccc1[N+](=O)[O-] ZINC000355041011 475618972 /nfs/dbraw/zinc/61/89/72/475618972.db2.gz OJQYQBJWGLLYIH-UHFFFAOYSA-N -1 1 346.324 2.967 20 5 EFBDMM O=C(NCC1(c2ccccc2)CCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000343055157 475726213 /nfs/dbraw/zinc/72/62/13/475726213.db2.gz YRSUOKYJZNLBDJ-UHFFFAOYSA-N -1 1 327.340 2.547 20 5 EFBDMM COC(=O)c1cc2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc2o1 ZINC000343193429 475846620 /nfs/dbraw/zinc/84/66/20/475846620.db2.gz FGKMABSNYIIJKP-UHFFFAOYSA-N -1 1 329.268 2.708 20 5 EFBDMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000340574666 476115434 /nfs/dbraw/zinc/11/54/34/476115434.db2.gz KFIFKWOFHHDHLR-UHFFFAOYSA-N -1 1 325.328 2.978 20 5 EFBDMM Cc1cc([N+](=O)[O-])ccc1CN[C@]1(C(=O)[O-])CCOc2ccccc21 ZINC000340674810 476197052 /nfs/dbraw/zinc/19/70/52/476197052.db2.gz MBPVIXBPKPRGCG-GOSISDBHSA-N -1 1 342.351 2.755 20 5 EFBDMM Cc1cccc(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000302967309 476213677 /nfs/dbraw/zinc/21/36/77/476213677.db2.gz HQODOBFWLCCLRT-UHFFFAOYSA-N -1 1 329.356 2.711 20 5 EFBDMM CCOc1cccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000302959107 476214193 /nfs/dbraw/zinc/21/41/93/476214193.db2.gz GCWROEIHNNILFH-SNVBAGLBSA-N -1 1 331.328 2.585 20 5 EFBDMM CC(C)COc1cccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000303424100 476234104 /nfs/dbraw/zinc/23/41/04/476234104.db2.gz VJKRZKPYAJGDMZ-UHFFFAOYSA-N -1 1 345.355 2.660 20 5 EFBDMM O=C(NC[C@H]1CCCC[C@@H]1C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000360465016 476304193 /nfs/dbraw/zinc/30/41/93/476304193.db2.gz YZLQDHBEVCOCBR-SCZZXKLOSA-N -1 1 347.293 2.794 20 5 EFBDMM C[C@H](CNC(=O)c1ccccc1)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000357263611 476308683 /nfs/dbraw/zinc/30/86/83/476308683.db2.gz OZYZETOIOOIXIU-SNVBAGLBSA-N -1 1 341.327 2.506 20 5 EFBDMM CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1 ZINC000357459015 476397087 /nfs/dbraw/zinc/39/70/87/476397087.db2.gz TZLJJSUQWDUMMN-HNNXBMFYSA-N -1 1 329.356 2.865 20 5 EFBDMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000352183480 476531823 /nfs/dbraw/zinc/53/18/23/476531823.db2.gz DRWAKXNBGVSYKZ-UHFFFAOYSA-N -1 1 333.275 2.650 20 5 EFBDMM C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000390951132 476810130 /nfs/dbraw/zinc/81/01/30/476810130.db2.gz XLDRDJAWPZMJQR-NOZJJQNGSA-N -1 1 332.278 2.995 20 5 EFBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cncc3ccccc32)ccc1[O-] ZINC000396482214 476847154 /nfs/dbraw/zinc/84/71/54/476847154.db2.gz ZKIOTKIQNVVWPJ-UHFFFAOYSA-N -1 1 345.336 2.649 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000375711185 476966239 /nfs/dbraw/zinc/96/62/39/476966239.db2.gz LQWXLXQZTNJMSH-ZDUSSCGKSA-N -1 1 349.293 2.951 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000375946183 477095447 /nfs/dbraw/zinc/09/54/47/477095447.db2.gz ICRFLJAXAMPEEY-CQSZACIVSA-N -1 1 341.367 2.790 20 5 EFBDMM Cc1ccc(CC(C)(C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000416283784 477107985 /nfs/dbraw/zinc/10/79/85/477107985.db2.gz RRVLKWHNJBTDBP-UHFFFAOYSA-N -1 1 329.356 2.755 20 5 EFBDMM Cc1cccc2c1CC(C)(C)N(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C2 ZINC000452981382 477137798 /nfs/dbraw/zinc/13/77/98/477137798.db2.gz OYBHDAIFTCWMRP-UHFFFAOYSA-N -1 1 341.367 2.981 20 5 EFBDMM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@@H]1CCC(=O)[O-] ZINC000424249685 477341744 /nfs/dbraw/zinc/34/17/44/477341744.db2.gz ASRVTUOCLRTNCV-CYBMUJFWSA-N -1 1 349.387 2.561 20 5 EFBDMM Cc1ccc(-c2n[nH]c(NC(=O)c3cccc([N+](=O)[O-])c3[O-])n2)cc1 ZINC000436741232 477576624 /nfs/dbraw/zinc/57/66/24/477576624.db2.gz SUIXCVAXTFTFRR-UHFFFAOYSA-N -1 1 339.311 2.646 20 5 EFBDMM O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1[O-] ZINC000436758404 477582568 /nfs/dbraw/zinc/58/25/68/477582568.db2.gz XXMIXLBBIHGFBA-UHFFFAOYSA-N -1 1 335.747 2.796 20 5 EFBDMM CCC(=O)c1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000436841815 477609286 /nfs/dbraw/zinc/60/92/86/477609286.db2.gz ZXFFBXTUVTVZLF-UHFFFAOYSA-N -1 1 330.296 2.851 20 5 EFBDMM Nc1ccc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c([N+](=O)[O-])c1 ZINC000367837527 477711347 /nfs/dbraw/zinc/71/13/47/477711347.db2.gz YQSSNGZVUWKBRX-UHFFFAOYSA-N -1 1 341.367 2.982 20 5 EFBDMM CCc1n[nH]c([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1C ZINC000438224827 477811003 /nfs/dbraw/zinc/81/10/03/477811003.db2.gz JGNHQUYCERNVCG-UHFFFAOYSA-N -1 1 338.389 2.606 20 5 EFBDMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1C ZINC000438258937 477814056 /nfs/dbraw/zinc/81/40/56/477814056.db2.gz SRVPTKKFHRLMPK-UHFFFAOYSA-N -1 1 338.389 2.606 20 5 EFBDMM Cc1ccccc1C(C)(C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000515875330 477870946 /nfs/dbraw/zinc/87/09/46/477870946.db2.gz YNBRFELDUIAZNV-UHFFFAOYSA-N -1 1 335.385 2.512 20 5 EFBDMM O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000516532002 477944372 /nfs/dbraw/zinc/94/43/72/477944372.db2.gz JRYXALINJGUUTO-UHFFFAOYSA-N -1 1 348.322 2.885 20 5 EFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](F)C1 ZINC000571518820 478614990 /nfs/dbraw/zinc/61/49/90/478614990.db2.gz LCEIAARXJPRHJL-VHSXEESVSA-N -1 1 336.772 2.807 20 5 EFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000595279726 478712021 /nfs/dbraw/zinc/71/20/21/478712021.db2.gz ZZPCBBZPEMXCRB-MRXNPFEDSA-N -1 1 342.351 2.946 20 5 EFBDMM Cc1cc(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)c([N+](=O)[O-])s1 ZINC000601417643 478827325 /nfs/dbraw/zinc/82/73/25/478827325.db2.gz YQNVGENQGHYCGH-UHFFFAOYSA-N -1 1 344.336 2.584 20 5 EFBDMM CCc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000572602159 478878696 /nfs/dbraw/zinc/87/86/96/478878696.db2.gz JRVAGBORVRFYNX-UHFFFAOYSA-N -1 1 338.389 2.805 20 5 EFBDMM O=C([O-])c1occc1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000565107262 478916275 /nfs/dbraw/zinc/91/62/75/478916275.db2.gz USUJXXNJXRZHCO-UHFFFAOYSA-N -1 1 346.339 2.929 20 5 EFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C1CCC1 ZINC000565690814 479062178 /nfs/dbraw/zinc/06/21/78/479062178.db2.gz RNGYSHMXBCQLRP-HNNXBMFYSA-N -1 1 347.396 2.810 20 5 EFBDMM C[C@@]1(C(=O)[O-])CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000584474916 479150289 /nfs/dbraw/zinc/15/02/89/479150289.db2.gz MYJASAFISCHMHP-QGZVFWFLSA-N -1 1 345.355 2.937 20 5 EFBDMM O=C([O-])[C@@H]1C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000593289551 479278211 /nfs/dbraw/zinc/27/82/11/479278211.db2.gz YDUMJWZEODYZHR-JKSUJKDBSA-N -1 1 342.351 2.601 20 5 EFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H](c2ccco2)N2CCCC2)n1 ZINC000574695164 479332210 /nfs/dbraw/zinc/33/22/10/479332210.db2.gz ZKKZZMNUKRYEAY-CYBMUJFWSA-N -1 1 346.343 2.530 20 5 EFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC(OCC3CC3)CC2)c1 ZINC000593742526 479444020 /nfs/dbraw/zinc/44/40/20/479444020.db2.gz UZMJDFCEDHIIAM-UHFFFAOYSA-N -1 1 334.372 2.684 20 5 EFBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000593747883 479444429 /nfs/dbraw/zinc/44/44/29/479444429.db2.gz FAOBXSHCYXZEKF-SWLSCSKDSA-N -1 1 336.388 2.925 20 5 EFBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000593747882 479444567 /nfs/dbraw/zinc/44/45/67/479444567.db2.gz FAOBXSHCYXZEKF-IUODEOHRSA-N -1 1 336.388 2.925 20 5 EFBDMM Cc1sc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)cc1[N+](=O)[O-] ZINC000588906054 479454712 /nfs/dbraw/zinc/45/47/12/479454712.db2.gz GJONRJNSUHORHY-UHFFFAOYSA-N -1 1 340.373 2.821 20 5 EFBDMM O=C(Nc1ccc(Br)cc1O)c1ccc([N+](=O)[O-])[n-]1 ZINC000604104502 479472977 /nfs/dbraw/zinc/47/29/77/479472977.db2.gz NZCUHGOZKBUFAB-UHFFFAOYSA-N -1 1 326.106 2.643 20 5 EFBDMM CC(C)[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000610260874 480263752 /nfs/dbraw/zinc/26/37/52/480263752.db2.gz XGAZSUUFONTUQV-CQSZACIVSA-N -1 1 349.412 2.708 20 5 EFBDMM CC1(C)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000618360100 480643178 /nfs/dbraw/zinc/64/31/78/480643178.db2.gz VUASNTAVHJBLMT-CQSZACIVSA-N -1 1 327.340 2.919 20 5 EFBDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1 ZINC000181329175 521216599 /nfs/dbraw/zinc/21/65/99/521216599.db2.gz JCRPMGBZUIZVAY-UHFFFAOYSA-N -1 1 349.368 2.744 20 5 EFBDMM CC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1c(C)noc1C ZINC000119327412 522905668 /nfs/dbraw/zinc/90/56/68/522905668.db2.gz XACMVUXEOCPLGA-LLVKDONJSA-N -1 1 339.373 2.629 20 5 EFBDMM COc1cccc(C(=O)[N-]c2nnc(CC(C)C)s2)c1[N+](=O)[O-] ZINC000193811482 537088291 /nfs/dbraw/zinc/08/82/91/537088291.db2.gz GDVWYCKELXQBGQ-UHFFFAOYSA-N -1 1 336.373 2.906 20 5 EFBDMM Cc1nc2ccc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cc2[nH]1 ZINC000768864888 577311405 /nfs/dbraw/zinc/31/14/05/577311405.db2.gz WJWBCLCLYHSYGH-UHFFFAOYSA-N -1 1 338.370 2.642 20 5 EFBDMM O=C(OCc1nnc(-c2ccccc2)o1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769045082 577327188 /nfs/dbraw/zinc/32/71/88/577327188.db2.gz ADAQUSOWHYEVKL-UHFFFAOYSA-N -1 1 341.279 2.707 20 5 EFBDMM O=C(OCc1nc(-c2cccs2)no1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769045792 577327508 /nfs/dbraw/zinc/32/75/08/577327508.db2.gz JGYBJSYWHWKJQN-UHFFFAOYSA-N -1 1 347.308 2.769 20 5 EFBDMM Cc1ccc(C2=CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)cc1 ZINC000770115325 577402753 /nfs/dbraw/zinc/40/27/53/577402753.db2.gz MUEJNGMRNXJNKY-UHFFFAOYSA-N -1 1 339.351 2.933 20 5 EFBDMM O=C(Oc1ccc2c(c1)CCCC(=O)N2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000773544810 581443016 /nfs/dbraw/zinc/44/30/16/581443016.db2.gz MOEKWQINWXMVDO-UHFFFAOYSA-N -1 1 342.307 2.794 20 5 EFBDMM Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc([O-])cc1F ZINC000773578163 581447583 /nfs/dbraw/zinc/44/75/83/581447583.db2.gz FFARXWRYHHHDAS-UHFFFAOYSA-N -1 1 348.286 2.543 20 5 EFBDMM COc1ccc([C@@H](NCc2cc(F)ccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000737967438 581505879 /nfs/dbraw/zinc/50/58/79/581505879.db2.gz AKFBRCPUDBOZEF-OAHLLOKOSA-N -1 1 334.303 2.658 20 5 EFBDMM COc1cc(CNCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])cc1OC ZINC000818561489 597136905 /nfs/dbraw/zinc/13/69/05/597136905.db2.gz GJQOQUHNUNJWDI-UHFFFAOYSA-N -1 1 346.339 2.600 20 5 EFBDMM C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000736729199 600138324 /nfs/dbraw/zinc/13/83/24/600138324.db2.gz XUALNFVKGURLJC-CMPLNLGQSA-N -1 1 346.343 2.502 20 5 EFBDMM O=C([O-])CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000833233415 601115002 /nfs/dbraw/zinc/11/50/02/601115002.db2.gz YNRKJZCDZXSDKY-CYBMUJFWSA-N -1 1 342.779 2.704 20 5 EFBDMM COc1cc(OC)cc([C@@H](NCc2cccc([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000832056730 602170244 /nfs/dbraw/zinc/17/02/44/602170244.db2.gz IFNNPRCATAALNP-MRXNPFEDSA-N -1 1 346.339 2.528 20 5 EFBDMM Cc1cc(C[C@@H](C)Nc2ccc(C=CC(=O)[O-])cc2[N+](=O)[O-])[nH]n1 ZINC000832883111 604646956 /nfs/dbraw/zinc/64/69/56/604646956.db2.gz HYMVLYVZPOWSPD-DFVUYQKZSA-N -1 1 330.344 2.767 20 5 EFBDMM C[C@]1(C(=O)[O-])CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000833553576 604675024 /nfs/dbraw/zinc/67/50/24/604675024.db2.gz FPHAGEWRJAFIPX-ZDUSSCGKSA-N -1 1 343.177 2.654 20 5 EFBDMM Cc1ccc2c(c1)CC[C@H]2Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822274680 606702218 /nfs/dbraw/zinc/70/22/18/606702218.db2.gz FVMXNFKRMXAMES-CYBMUJFWSA-N -1 1 337.343 2.578 20 5 EFBDMM Cc1ccc2c(c1)CC[C@H]2Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822274680 606702220 /nfs/dbraw/zinc/70/22/20/606702220.db2.gz FVMXNFKRMXAMES-CYBMUJFWSA-N -1 1 337.343 2.578 20 5 EFBDMM CC(C)CC1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCC1 ZINC000820061448 606719204 /nfs/dbraw/zinc/71/92/04/606719204.db2.gz BJPWHLTUPOLOGM-UHFFFAOYSA-N -1 1 331.380 2.798 20 5 EFBDMM CC(C)CC1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCC1 ZINC000820061448 606719205 /nfs/dbraw/zinc/71/92/05/606719205.db2.gz BJPWHLTUPOLOGM-UHFFFAOYSA-N -1 1 331.380 2.798 20 5 EFBDMM C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1Cl ZINC000820460729 607161943 /nfs/dbraw/zinc/16/19/43/607161943.db2.gz AUBNFIUBDHUZBM-QMMMGPOBSA-N -1 1 345.750 2.996 20 5 EFBDMM C[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1Cl ZINC000820460729 607161945 /nfs/dbraw/zinc/16/19/45/607161945.db2.gz AUBNFIUBDHUZBM-QMMMGPOBSA-N -1 1 345.750 2.996 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CCC[C@H](C(F)(F)F)C2)cc1-c1nnn[n-]1 ZINC000826498866 607839377 /nfs/dbraw/zinc/83/93/77/607839377.db2.gz MNDZJQAHMJPXAZ-QMMMGPOBSA-N -1 1 342.281 2.554 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CCC[C@H](C(F)(F)F)C2)cc1-c1nn[n-]n1 ZINC000826498866 607839378 /nfs/dbraw/zinc/83/93/78/607839378.db2.gz MNDZJQAHMJPXAZ-QMMMGPOBSA-N -1 1 342.281 2.554 20 5 EFBDMM Cc1ccc([C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)cc1[N+](=O)[O-] ZINC000826283512 607901672 /nfs/dbraw/zinc/90/16/72/607901672.db2.gz SQJNHFZAWRHTKI-SNVBAGLBSA-N -1 1 325.332 2.651 20 5 EFBDMM Cc1ccc([C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)cc1[N+](=O)[O-] ZINC000826283512 607901673 /nfs/dbraw/zinc/90/16/73/607901673.db2.gz SQJNHFZAWRHTKI-SNVBAGLBSA-N -1 1 325.332 2.651 20 5 EFBDMM CCCOc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000825341561 608560056 /nfs/dbraw/zinc/56/00/56/608560056.db2.gz FGRPHFPYWVCNSK-UHFFFAOYSA-N -1 1 341.331 2.702 20 5 EFBDMM CCCOc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000825341561 608560057 /nfs/dbraw/zinc/56/00/57/608560057.db2.gz FGRPHFPYWVCNSK-UHFFFAOYSA-N -1 1 341.331 2.702 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC1CCCC1 ZINC000814986506 1287227136 /nfs/dbraw/zinc/22/71/36/1287227136.db2.gz QJYYKIRBBRVVAE-UHFFFAOYSA-N -1 1 336.772 2.856 20 5 EFBDMM CC1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCCC1 ZINC000814999435 1287257946 /nfs/dbraw/zinc/25/79/46/1287257946.db2.gz YNRBGQWVQHUXOC-UHFFFAOYSA-N -1 1 336.772 2.998 20 5 EFBDMM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1nc(Cl)ccc1[O-] ZINC000790056997 1277225539 /nfs/dbraw/zinc/22/55/39/1277225539.db2.gz RSPNBBMEYLAUSO-UHFFFAOYSA-N -1 1 346.730 2.942 20 5 EFBDMM COCc1ncc(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)s1 ZINC000808809505 1281912888 /nfs/dbraw/zinc/91/28/88/1281912888.db2.gz QSNVOFXCZKCTCW-UHFFFAOYSA-N -1 1 325.321 2.898 20 5 EFBDMM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809815914 1282478605 /nfs/dbraw/zinc/47/86/05/1282478605.db2.gz WPRGBSARUKSBBZ-XCBNKYQSSA-N -1 1 336.772 2.854 20 5 EFBDMM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809837037 1282498130 /nfs/dbraw/zinc/49/81/30/1282498130.db2.gz ROKHACJRFHZXJE-SFYZADRCSA-N -1 1 336.772 2.854 20 5 EFBDMM COC(=O)[N-]C(=S)N(c1ccc([N+](=O)[O-])cc1)c1ccccc1N ZINC001174481215 1287032274 /nfs/dbraw/zinc/03/22/74/1287032274.db2.gz ZMOBXBNXNZIUMK-UHFFFAOYSA-N -1 1 346.368 2.956 20 5 EFBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC001212893232 1290628149 /nfs/dbraw/zinc/62/81/49/1290628149.db2.gz SKJCPGKPNAOZCP-UHFFFAOYSA-N -1 1 341.205 2.934 20 5 EFBDMM CCCOC(=O)[C@@H](C)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233501167 1312945015 /nfs/dbraw/zinc/94/50/15/1312945015.db2.gz XDPOVWDIHQECBI-SSDOTTSWSA-N -1 1 327.724 2.845 20 5 EFBDMM CCOC(=O)[C@H]1C[C@@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)C1 ZINC001233505732 1312947006 /nfs/dbraw/zinc/94/70/06/1312947006.db2.gz FAONJXKMHMUKOH-OCAPTIKFSA-N -1 1 339.735 2.845 20 5 EFBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000800052397 1293896590 /nfs/dbraw/zinc/89/65/90/1293896590.db2.gz VFZQHWNSLFMEGR-UHFFFAOYSA-N -1 1 345.739 2.892 20 5 EFBDMM COC(=O)c1cc(F)c(=O)[n-]c1O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001234607121 1313167210 /nfs/dbraw/zinc/16/72/10/1313167210.db2.gz YJZSGNLYPWVSTF-MRVPVSSYSA-N -1 1 336.275 2.761 20 5 EFBDMM Nc1c2cc(Br)ccc2nn1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001199801743 1295759866 /nfs/dbraw/zinc/75/98/66/1295759866.db2.gz IRTWBNCGAMWDQJ-UHFFFAOYSA-N -1 1 349.144 2.984 20 5 EFBDMM O=c1c2cc(O)ccc2oc2cc([O-])cc(O[C@@H]3CCCOC3)c12 ZINC001234744440 1313188009 /nfs/dbraw/zinc/18/80/09/1313188009.db2.gz MHVMPFRRQZQSQS-GFCCVEGCSA-N -1 1 328.320 2.915 20 5 EFBDMM CC[C@@H](COC)Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234751181 1313189134 /nfs/dbraw/zinc/18/91/34/1313189134.db2.gz SNNQMUDUZSEPCZ-JTQLQIEISA-N -1 1 346.335 2.867 20 5 EFBDMM COc1cc([O-])cc2oc3cc(O)c(OC[C@@H](C)OC)cc3c(=O)c12 ZINC001234801542 1313193079 /nfs/dbraw/zinc/19/30/79/1313193079.db2.gz SNQOJKIQKYRZNC-SECBINFHSA-N -1 1 346.335 2.780 20 5 EFBDMM COc1cc([O-])cc2oc3cc(O)c(OC[C@H]4CCO4)cc3c(=O)c12 ZINC001234801107 1313193191 /nfs/dbraw/zinc/19/31/91/1313193191.db2.gz OHNCAAOOSFMEJZ-SNVBAGLBSA-N -1 1 344.319 2.534 20 5 EFBDMM C[C@H]1COCC[C@@H]1Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234874068 1313201497 /nfs/dbraw/zinc/20/14/97/1313201497.db2.gz IPSZBNMGWVRWRV-CPCISQLKSA-N -1 1 332.150 2.867 20 5 EFBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)ccc1F ZINC000105589565 1296292192 /nfs/dbraw/zinc/29/21/92/1296292192.db2.gz ICPYBBDFLKOLPV-UHFFFAOYSA-N -1 1 328.296 2.982 20 5 EFBDMM Nc1cc2cnn(-c3cc([O-])cc([N+](=O)[O-])c3)c2c(Br)c1 ZINC001201222565 1296670219 /nfs/dbraw/zinc/67/02/19/1296670219.db2.gz OVIIAJTZCBXPEZ-UHFFFAOYSA-N -1 1 349.144 2.984 20 5 EFBDMM Cc1ccc(-c2noc(-c3n[n-]c(C(F)(F)F)c3[N+](=O)[O-])n2)nc1 ZINC001212972753 1297322632 /nfs/dbraw/zinc/32/26/32/1297322632.db2.gz IDTBOEQNWZKFFW-UHFFFAOYSA-N -1 1 340.221 2.757 20 5 EFBDMM O=C(CSc1ccc(F)cc1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000776630430 1299924193 /nfs/dbraw/zinc/92/41/93/1299924193.db2.gz KETMYVBICHYKOQ-UHFFFAOYSA-N -1 1 334.328 2.783 20 5 EFBDMM CCc1ccccc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000121707041 1303870922 /nfs/dbraw/zinc/87/09/22/1303870922.db2.gz APLBXRFTEUFCJU-UHFFFAOYSA-N -1 1 338.360 2.775 20 5 EFBDMM Cc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)n(CC2CCOCC2)n1 ZINC001210396609 1314325598 /nfs/dbraw/zinc/32/55/98/1314325598.db2.gz VERGLIOHPUZCBS-UHFFFAOYSA-N -1 1 332.360 2.976 20 5 EFBDMM Nc1cc(Br)ncc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210394084 1314325647 /nfs/dbraw/zinc/32/56/47/1314325647.db2.gz NLOAHKKHPPULAD-UHFFFAOYSA-N -1 1 325.122 2.784 20 5 EFBDMM O=c1[nH]cc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc1Br ZINC001210393720 1314325838 /nfs/dbraw/zinc/32/58/38/1314325838.db2.gz HLQOQCHDMQOKQD-UHFFFAOYSA-N -1 1 326.106 2.907 20 5 EFBDMM CN1CCN(c2ccc(F)cc2Nc2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC001210401153 1314327464 /nfs/dbraw/zinc/32/74/64/1314327464.db2.gz QGURORUTYAEZHM-UHFFFAOYSA-N -1 1 346.362 2.935 20 5 EFBDMM O=C(OCc1cn2cc(Cl)ccc2n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780069670 1311015185 /nfs/dbraw/zinc/01/51/85/1311015185.db2.gz ROYHXXONWFDLBX-UHFFFAOYSA-N -1 1 347.714 2.959 20 5 EFBDMM CC(=O)c1ccccc1OCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074572 1311180630 /nfs/dbraw/zinc/18/06/30/1311180630.db2.gz IZAYPFPXKLMTOR-UHFFFAOYSA-N -1 1 345.307 2.739 20 5 EFBDMM Cc1cccc(NC(=O)[C@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000780075505 1311192413 /nfs/dbraw/zinc/19/24/13/1311192413.db2.gz KQODPBYDQUHOGB-NSHDSACASA-N -1 1 344.323 2.793 20 5 EFBDMM CCc1ccc(NC(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000780075907 1311243810 /nfs/dbraw/zinc/24/38/10/1311243810.db2.gz QFBXSJHDXFEJCD-UHFFFAOYSA-N -1 1 344.323 2.658 20 5 EFBDMM Cc1ccc(NC(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(F)c1 ZINC000780075952 1311247453 /nfs/dbraw/zinc/24/74/53/1311247453.db2.gz QLQMBSKALDUVOZ-UHFFFAOYSA-N -1 1 348.286 2.543 20 5 EFBDMM O=C(OCc1nc(-c2ccccc2)no1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780076909 1311267874 /nfs/dbraw/zinc/26/78/74/1311267874.db2.gz YVXKIEIVDFFAAK-UHFFFAOYSA-N -1 1 341.279 2.707 20 5 EFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H]1CCc2ccccc21 ZINC001226306800 1311645630 /nfs/dbraw/zinc/64/56/30/1311645630.db2.gz ARVVCZZEIBTPFV-ZDUSSCGKSA-N -1 1 344.323 2.938 20 5 EFBDMM C[C@H](Oc1[n-]c(=S)ncc1F)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001227382071 1311800941 /nfs/dbraw/zinc/80/09/41/1311800941.db2.gz ADPMTYKOEDCTBA-LURJTMIESA-N -1 1 339.304 2.681 20 5 EFBDMM O=c1[n-]cnc(O[C@@H]2CC[C@H](OCc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228141309 1311906589 /nfs/dbraw/zinc/90/65/89/1311906589.db2.gz PILHSXLVCRPEJR-QWHCGFSZSA-N -1 1 331.328 2.607 20 5 EFBDMM C[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1ncc(C(F)(F)F)cc1F ZINC001228140919 1311906617 /nfs/dbraw/zinc/90/66/17/1311906617.db2.gz NTDKESAXVOSOBI-RXMQYKEDSA-N -1 1 348.212 2.783 20 5 EFBDMM C[C@@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])C1CCOCC1 ZINC001228861099 1312011410 /nfs/dbraw/zinc/01/14/10/1312011410.db2.gz BHOBPHNPTVEVBI-SSDOTTSWSA-N -1 1 336.266 2.908 20 5 EFBDMM COC[C@H](C)OC[C@H](C)OC[C@@H](C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229394799 1312088105 /nfs/dbraw/zinc/08/81/05/1312088105.db2.gz CAGDHGNABDFXOX-RWMBFGLXSA-N -1 1 343.376 2.524 20 5 EFBDMM CC(C)(C)OC(=O)N1CC=C[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229394828 1312088121 /nfs/dbraw/zinc/08/81/21/1312088121.db2.gz CELIESPIAWMKFZ-LBPRGKRZSA-N -1 1 336.344 2.855 20 5 EFBDMM CC(C)(C)OC(=O)N1CC=C[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229394827 1312088266 /nfs/dbraw/zinc/08/82/66/1312088266.db2.gz CELIESPIAWMKFZ-GFCCVEGCSA-N -1 1 336.344 2.855 20 5 EFBDMM CCC(=O)c1ccc([O-])cc1O[C@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001229475343 1312102137 /nfs/dbraw/zinc/10/21/37/1312102137.db2.gz UZVFJEUPZMPDID-SNVBAGLBSA-N -1 1 333.344 2.866 20 5 EFBDMM CC(=O)N1CC[C@@H](Oc2ccc3c(c2)oc2cc([O-])ccc2c3=O)C1 ZINC001229518208 1312109168 /nfs/dbraw/zinc/10/91/68/1312109168.db2.gz RVCKXUGTRUQBNY-CQSZACIVSA-N -1 1 339.347 2.651 20 5 EFBDMM Cc1cc([O-])c(O[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001229749454 1312132617 /nfs/dbraw/zinc/13/26/17/1312132617.db2.gz ASZHZQRMUWYSRT-LLVKDONJSA-N -1 1 338.360 2.997 20 5 EFBDMM Cc1cc([O-])c(O[C@H]2CN(C(=O)OC(C)(C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC001229754142 1312133466 /nfs/dbraw/zinc/13/34/66/1312133466.db2.gz NFBCIPGPOXFRPC-YGRLFVJLSA-N -1 1 338.360 2.995 20 5 EFBDMM CCCCOC[C@@H](C)OC[C@H](C)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231263051 1312466282 /nfs/dbraw/zinc/46/62/82/1312466282.db2.gz IBLRVGFMMUPQAI-OLZOCXBDSA-N -1 1 342.392 2.993 20 5 EFBDMM CCCCOC[C@@H](C)OC[C@@H](C)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231263025 1312466701 /nfs/dbraw/zinc/46/67/01/1312466701.db2.gz IBLRVGFMMUPQAI-CHWSQXEVSA-N -1 1 342.392 2.993 20 5 EFBDMM COC(=O)c1ncc(Cl)nc1[N-]c1ccc(OC)cc1[N+](=O)[O-] ZINC001248466774 1314936957 /nfs/dbraw/zinc/93/69/57/1314936957.db2.gz YVHSJJHYVMYBOW-UHFFFAOYSA-N -1 1 338.707 2.577 20 5 EFBDMM O=c1[n-]cnc(Nc2cc(F)cc([N+](=O)[O-])c2)c1Br ZINC001216482985 1314961124 /nfs/dbraw/zinc/96/11/24/1314961124.db2.gz WJIQHRRBDZCXSM-UHFFFAOYSA-N -1 1 329.085 2.736 20 5 EFBDMM C[C@@H]1CC[NH2+]C[C@H]1Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001218043692 1315138108 /nfs/dbraw/zinc/13/81/08/1315138108.db2.gz NGWBGGQBFMUEIG-BMLIUANNSA-N -1 1 341.363 2.734 20 5 EFBDMM COc1cc(-c2nc3ccc(NC(C)=O)cc3[nH]2)cc([N+](=O)[O-])c1[O-] ZINC001250874465 1315285317 /nfs/dbraw/zinc/28/53/17/1315285317.db2.gz KUMTYGCIKLTPSW-UHFFFAOYSA-N -1 1 342.311 2.811 20 5 EFBDMM COc1cc([O-])c(-c2nc3ccc(NC(C)=O)cc3[nH]2)cc1[N+](=O)[O-] ZINC001251778907 1315377779 /nfs/dbraw/zinc/37/77/79/1315377779.db2.gz SECNNAVKDZVOFS-UHFFFAOYSA-N -1 1 342.311 2.811 20 5 EFBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n(-c2ccc(C)cc2)n1 ZINC001321531735 1329393350 /nfs/dbraw/zinc/39/33/50/1329393350.db2.gz YOKDKQXOJOLYGX-UHFFFAOYSA-N -1 1 325.328 2.978 20 5 EFBDMM O=C([N-]c1nnc(-c2ccncc2)s1)c1cc([N+](=O)[O-])ccc1F ZINC001328129277 1330561089 /nfs/dbraw/zinc/56/10/89/1330561089.db2.gz KJGCAKDDFXNIPK-UHFFFAOYSA-N -1 1 345.315 2.900 20 5 EFBDMM CN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000736818701 1428647085 /nfs/dbraw/zinc/64/70/85/1428647085.db2.gz VWUTVEYASQPXPO-UHFFFAOYSA-N -1 1 342.334 2.546 20 5 EFBDMM COc1ccc(COc2ccc([N+](=O)[O-])cc2F)cc1-c1nnn[n-]1 ZINC000826207395 1428714028 /nfs/dbraw/zinc/71/40/28/1428714028.db2.gz MLNYZURVSMJSKU-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM COc1ccc(COc2cccc(C)c2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826207102 1428740763 /nfs/dbraw/zinc/74/07/63/1428740763.db2.gz ACWCKPZWDUQQLV-UHFFFAOYSA-N -1 1 341.327 2.671 20 5 EFBDMM CC(C)n1cc([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1 ZINC000736140450 1428909046 /nfs/dbraw/zinc/90/90/46/1428909046.db2.gz WIVZEZBVWFVBPB-JTQLQIEISA-N -1 1 342.363 2.725 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737373311 1428954436 /nfs/dbraw/zinc/95/44/36/1428954436.db2.gz UALYOTITTCXGQR-UHFFFAOYSA-N -1 1 340.343 2.574 20 5 EFBDMM COc1cc(F)c([N+](=O)[O-])c(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826180092 1429380183 /nfs/dbraw/zinc/38/01/83/1429380183.db2.gz RTHSABJFLSYSOA-UHFFFAOYSA-N -1 1 331.263 2.715 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1ccccc1Cl ZINC000823629628 1429488025 /nfs/dbraw/zinc/48/80/25/1429488025.db2.gz CJVFUUXKJFJGIV-UHFFFAOYSA-N -1 1 334.748 2.975 20 5 EFBDMM O=C(Nc1nn[n-]n1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000182717347 1423996346 /nfs/dbraw/zinc/99/63/46/1423996346.db2.gz DOJFXEVTAMOUJQ-UHFFFAOYSA-N -1 1 348.388 2.643 20 5 EFBDMM O=[N+]([O-])c1ccc(CCNc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000823635442 1424144215 /nfs/dbraw/zinc/14/42/15/1424144215.db2.gz WMNUNYOVFRQRLR-UHFFFAOYSA-N -1 1 328.307 2.569 20 5 EFBDMM O=[N+]([O-])c1ccccc1OCCSc1ccccc1-c1nnn[n-]1 ZINC000738367969 1429703683 /nfs/dbraw/zinc/70/36/83/1429703683.db2.gz ADXWFDRGDJICHN-UHFFFAOYSA-N -1 1 343.368 2.946 20 5 EFBDMM O=[N+]([O-])c1ccccc1N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738370612 1424441144 /nfs/dbraw/zinc/44/11/44/1424441144.db2.gz WXWZYKTUGLVVKJ-UHFFFAOYSA-N -1 1 336.355 2.944 20 5 EFBDMM C[C@@H](CN(C)C(=O)c1cc2ccccc2c2cccnc12)c1nn[n-]n1 ZINC000183443088 1424583009 /nfs/dbraw/zinc/58/30/09/1424583009.db2.gz ZHMJYBWZUUEGHU-LBPRGKRZSA-N -1 1 346.394 2.777 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1Oc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737372829 1425158734 /nfs/dbraw/zinc/15/87/34/1425158734.db2.gz LQKQORXJCXYHGR-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM COc1ccc(CNc2ccc([N+](=O)[O-])cc2F)cc1-c1nnn[n-]1 ZINC000826204127 1425336510 /nfs/dbraw/zinc/33/65/10/1425336510.db2.gz YZJPAEKBWSCNOA-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM C[C@@H](NCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824617723 1425341342 /nfs/dbraw/zinc/34/13/42/1425341342.db2.gz JUQYFPXNSCIUFO-SNVBAGLBSA-N -1 1 342.334 2.765 20 5 EFBDMM C[C@@H](NCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824617723 1425341351 /nfs/dbraw/zinc/34/13/51/1425341351.db2.gz JUQYFPXNSCIUFO-SNVBAGLBSA-N -1 1 342.334 2.765 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCCc1ccc(O)cc1 ZINC000738357899 1425737175 /nfs/dbraw/zinc/73/71/75/1425737175.db2.gz IPDZSFTZJOWRCJ-UHFFFAOYSA-N -1 1 340.343 2.525 20 5 EFBDMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000824993056 1425853769 /nfs/dbraw/zinc/85/37/69/1425853769.db2.gz OXXNXLOETZZKOX-RTXFEEFZSA-N -1 1 328.376 2.790 20 5 EFBDMM COc1cc(-c2nnn[n-]2)ccc1COc1ccc(C)cc1[N+](=O)[O-] ZINC000826173341 1426090122 /nfs/dbraw/zinc/09/01/22/1426090122.db2.gz ZBHMNNDYEVLKMF-UHFFFAOYSA-N -1 1 341.327 2.671 20 5 EFBDMM CC(C)Oc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000820178506 1426093466 /nfs/dbraw/zinc/09/34/66/1426093466.db2.gz RWQROBOURKHSKE-UHFFFAOYSA-N -1 1 341.331 2.701 20 5 EFBDMM Cc1nc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000822453183 1426116422 /nfs/dbraw/zinc/11/64/22/1426116422.db2.gz DRJRIASDYWFSNE-VIFPVBQESA-N -1 1 325.332 2.651 20 5 EFBDMM O=[N+]([O-])c1ccc(F)c(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000823639550 1426342087 /nfs/dbraw/zinc/34/20/87/1426342087.db2.gz DEWPJUNKLOYYFN-UHFFFAOYSA-N -1 1 332.270 2.665 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@H]1c1ccncc1 ZINC000826497754 1426527934 /nfs/dbraw/zinc/52/79/34/1426527934.db2.gz SWJUFJWDMIOEKC-ZDUSSCGKSA-N -1 1 337.343 2.511 20 5 EFBDMM C[C@]1(c2ccccc2)C[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820633391 1426757196 /nfs/dbraw/zinc/75/71/96/1426757196.db2.gz AYWSTQZWMRGNHY-NVXWUHKLSA-N -1 1 336.355 2.917 20 5 EFBDMM Cc1nc(CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)sc1C ZINC000822440151 1426781563 /nfs/dbraw/zinc/78/15/63/1426781563.db2.gz IRACVVYQPFMGPQ-UHFFFAOYSA-N -1 1 345.388 2.503 20 5 EFBDMM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000736136935 1427075445 /nfs/dbraw/zinc/07/54/45/1427075445.db2.gz IAIDAHQPBBPWBC-SECBINFHSA-N -1 1 326.316 2.654 20 5 EFBDMM O=[N+]([O-])c1cc(N[C@H](CCO)C2CCCCC2)ccc1-c1nnn[n-]1 ZINC000823634093 1427130944 /nfs/dbraw/zinc/13/09/44/1427130944.db2.gz AREZCXOAXQHGIU-CQSZACIVSA-N -1 1 346.391 2.518 20 5 EFBDMM O=[N+]([O-])c1cccc(CCNc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000826499774 1427151980 /nfs/dbraw/zinc/15/19/80/1427151980.db2.gz WYZGVYBVPSNWEV-UHFFFAOYSA-N -1 1 328.307 2.569 20 5 EFBDMM CC1(C)CCC(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000824803021 1427263873 /nfs/dbraw/zinc/26/38/73/1427263873.db2.gz RKCAAKSQRDHJQF-UHFFFAOYSA-N -1 1 331.380 2.798 20 5 EFBDMM C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC12CCC2 ZINC000824961673 1427498157 /nfs/dbraw/zinc/49/81/57/1427498157.db2.gz FYHVUSJWZFQRIO-LLVKDONJSA-N -1 1 328.376 2.791 20 5 EFBDMM CC(C)(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccncc1 ZINC000824157478 1428052017 /nfs/dbraw/zinc/05/20/17/1428052017.db2.gz HBKOSVGWFURDHY-UHFFFAOYSA-N -1 1 339.359 2.560 20 5 EFBDMM CN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000821610037 1429862866 /nfs/dbraw/zinc/86/28/66/1429862866.db2.gz XRSYHRDTUXQTNZ-UHFFFAOYSA-N -1 1 342.334 2.546 20 5 EFBDMM CCS[C@@H]1CCC[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821453953 1429969496 /nfs/dbraw/zinc/96/94/96/1429969496.db2.gz BWTQOGGEPLNQOU-WCQYABFASA-N -1 1 334.405 2.861 20 5 EFBDMM COC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1 ZINC000821683724 1429998010 /nfs/dbraw/zinc/99/80/10/1429998010.db2.gz JCWOJFHCNGEFAG-AWEZNQCLSA-N -1 1 340.343 2.575 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCCc2ccccc21 ZINC000823620942 1430065697 /nfs/dbraw/zinc/06/56/97/1430065697.db2.gz UCQWKWMNYBNRGC-CYBMUJFWSA-N -1 1 337.343 2.659 20 5 EFBDMM CCC1CCC(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000820971600 1430156481 /nfs/dbraw/zinc/15/64/81/1430156481.db2.gz DTSSTEFULWETAH-UHFFFAOYSA-N -1 1 331.380 2.798 20 5 EFBDMM CCCOc1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000736493034 1430199869 /nfs/dbraw/zinc/19/98/69/1430199869.db2.gz QBCYVKYQUHENND-UHFFFAOYSA-N -1 1 341.331 2.702 20 5 EFBDMM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(F)c([N+](=O)[O-])c1 ZINC000821736109 1441522716 /nfs/dbraw/zinc/52/27/16/1441522716.db2.gz BIUASYXHGUWIBY-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM Cc1ccccc1C[C@H](C)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822355966 1441611274 /nfs/dbraw/zinc/61/12/74/1441611274.db2.gz DRYNMYTZXJPMGI-NSHDSACASA-N -1 1 339.359 2.521 20 5 EFBDMM O=[N+]([O-])c1cnc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(-c2nnn[n-]2)c1 ZINC000823651975 1441627406 /nfs/dbraw/zinc/62/74/06/1441627406.db2.gz ULINSBLLKBJPLZ-HBNTYKKESA-N -1 1 329.364 2.551 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1SCCCc1ccccc1 ZINC000823629962 1441753745 /nfs/dbraw/zinc/75/37/45/1441753745.db2.gz OCRHAVKMLPUHMA-UHFFFAOYSA-N -1 1 342.384 2.895 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CCS[C@@H]3CCCC[C@@H]32)c(-c2nnn[n-]2)c1 ZINC000823639919 1441808251 /nfs/dbraw/zinc/80/82/51/1441808251.db2.gz LXFLJASRCFWMLM-UONOGXRCSA-N -1 1 346.416 2.639 20 5 EFBDMM CC(C)=C(C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824178404 1441965984 /nfs/dbraw/zinc/96/59/84/1441965984.db2.gz RNBOBAVSEYIYFG-UHFFFAOYSA-N -1 1 336.739 2.723 20 5 EFBDMM CCC[C@]1(C)CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821028719 1442256065 /nfs/dbraw/zinc/25/60/65/1442256065.db2.gz YIZLRZVHTZKNNQ-OAHLLOKOSA-N -1 1 331.380 2.577 20 5 EFBDMM C[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C1CCC1 ZINC000824647687 1442327398 /nfs/dbraw/zinc/32/73/98/1442327398.db2.gz BPSZHDUZTYZORM-VIFPVBQESA-N -1 1 339.359 2.924 20 5 EFBDMM O=[N+]([O-])c1ccc(Cl)c(CNCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738360475 1443160809 /nfs/dbraw/zinc/16/08/09/1443160809.db2.gz QBGMKRSBKCHBTN-UHFFFAOYSA-N -1 1 344.762 2.718 20 5 EFBDMM CC(C)(C)[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000819907003 1443264355 /nfs/dbraw/zinc/26/43/55/1443264355.db2.gz KKRWCHXJJJBAQS-LLVKDONJSA-N -1 1 345.407 2.823 20 5 EFBDMM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1csc([N+](=O)[O-])c1 ZINC000825782823 1443363273 /nfs/dbraw/zinc/36/32/73/1443363273.db2.gz QWBGYVZFOHYVGD-UHFFFAOYSA-N -1 1 341.356 2.873 20 5 EFBDMM CCS[C@@H]1CCC[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821454894 1443365471 /nfs/dbraw/zinc/36/54/71/1443365471.db2.gz HLXNVNRJKCRIBR-VHSXEESVSA-N -1 1 349.420 2.646 20 5 EFBDMM O=[N+]([O-])c1cccc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826499299 1443366628 /nfs/dbraw/zinc/36/66/28/1443366628.db2.gz DCWSXCWNYVNZPJ-UHFFFAOYSA-N -1 1 336.355 2.554 20 5 EFBDMM O=[N+]([O-])c1cccc(CNC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826499299 1443366631 /nfs/dbraw/zinc/36/66/31/1443366631.db2.gz DCWSXCWNYVNZPJ-UHFFFAOYSA-N -1 1 336.355 2.554 20 5 EFBDMM C[C@@H]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)C1 ZINC000824919182 1443371983 /nfs/dbraw/zinc/37/19/83/1443371983.db2.gz SOYGBUHRYQHQDF-BZNIZROVSA-N -1 1 328.376 2.791 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCc2cc(F)ccc2F)c(-c2nnn[n-]2)c1 ZINC000823639634 1443404038 /nfs/dbraw/zinc/40/40/38/1443404038.db2.gz FAYKCIRFUBFGSI-UHFFFAOYSA-N -1 1 346.297 2.708 20 5 EFBDMM O=Cc1ccc([N+](=O)[O-])c(Oc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000738317395 1443510431 /nfs/dbraw/zinc/51/04/31/1443510431.db2.gz JKNYUXZIXUYFMO-UHFFFAOYSA-N -1 1 329.247 2.519 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CCOC2(CCCC2)C1 ZINC000823630036 1443624850 /nfs/dbraw/zinc/62/48/50/1443624850.db2.gz QFIBAWMCQOYJFY-LBPRGKRZSA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1cccc(CCNc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826499289 1443707381 /nfs/dbraw/zinc/70/73/81/1443707381.db2.gz CVAYKHPARUDFEE-UHFFFAOYSA-N -1 1 328.307 2.569 20 5 EFBDMM C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820462265 1443862816 /nfs/dbraw/zinc/86/28/16/1443862816.db2.gz WPNJJCXKNWSJGS-QMMMGPOBSA-N -1 1 345.750 2.996 20 5 EFBDMM Cc1ccc(CC[C@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC000822236268 1443911185 /nfs/dbraw/zinc/91/11/85/1443911185.db2.gz RNSUTNOIOIFOAA-VIFPVBQESA-N -1 1 343.347 2.505 20 5 EFBDMM O=[N+]([O-])c1cc(Cl)cnc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000823634166 1443967888 /nfs/dbraw/zinc/96/78/88/1443967888.db2.gz BNFIFUHIZGFDPL-UHFFFAOYSA-N -1 1 349.713 2.575 20 5 EFBDMM COc1ccc([N+](=O)[O-])c(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821845769 1444018486 /nfs/dbraw/zinc/01/84/86/1444018486.db2.gz IYFLBLAIXJDYCI-SNVBAGLBSA-N -1 1 340.343 2.957 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc(Cl)cc1F ZINC000823630269 1446094258 /nfs/dbraw/zinc/09/42/58/1446094258.db2.gz UZQSSDPQSZALLF-UHFFFAOYSA-N -1 1 336.670 2.755 20 5 EFBDMM O=Cc1ccc(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(F)c1 ZINC000826483971 1446107868 /nfs/dbraw/zinc/10/78/68/1446107868.db2.gz HWPHDRRNWVMUNH-UHFFFAOYSA-N -1 1 329.247 2.519 20 5 EFBDMM CN(Cc1ccc(F)c(-c2nnn[n-]2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000821610984 1446129115 /nfs/dbraw/zinc/12/91/15/1446129115.db2.gz MPUNDESAUDFJLN-UHFFFAOYSA-N -1 1 342.334 2.546 20 5 EFBDMM O=[N+]([O-])c1cc(Cl)cnc1Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826498253 1446403251 /nfs/dbraw/zinc/40/32/51/1446403251.db2.gz NBUJJARQWHMLTD-UHFFFAOYSA-N -1 1 336.670 2.755 20 5 EFBDMM CCS[C@@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821456660 1446500969 /nfs/dbraw/zinc/50/09/69/1446500969.db2.gz RNZKMWYKLRHWAS-QWHCGFSZSA-N -1 1 334.405 2.861 20 5 EFBDMM O=[N+]([O-])c1ccccc1CCNc1cccc(F)c1-c1nnn[n-]1 ZINC000823648583 1446534420 /nfs/dbraw/zinc/53/44/20/1446534420.db2.gz XHDRAIZNYLYPHQ-UHFFFAOYSA-N -1 1 328.307 2.569 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1Oc1snc(Cl)c1-c1nnn[n-]1 ZINC000826293667 1446753870 /nfs/dbraw/zinc/75/38/70/1446753870.db2.gz XPPXFVGCDXLACG-UHFFFAOYSA-N -1 1 338.736 2.986 20 5 EFBDMM CO[C@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000821677426 1446835152 /nfs/dbraw/zinc/83/51/52/1446835152.db2.gz WRKKVGLEAGYVDM-OAHLLOKOSA-N -1 1 340.343 2.575 20 5 EFBDMM COc1ccc(COc2cccc([N+](=O)[O-])c2C)cc1-c1nnn[n-]1 ZINC000826207572 1447010482 /nfs/dbraw/zinc/01/04/82/1447010482.db2.gz SYZAQRVFFPYULF-UHFFFAOYSA-N -1 1 341.327 2.671 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc2ncsc2c1 ZINC000823625140 1447045227 /nfs/dbraw/zinc/04/52/27/1447045227.db2.gz QHNYLPHKZHMDGF-UHFFFAOYSA-N -1 1 340.328 2.523 20 5 EFBDMM COc1ccc(OCc2ccc(F)c(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000821845771 1447166485 /nfs/dbraw/zinc/16/64/85/1447166485.db2.gz IYXVRDPEFJSDRJ-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM Cc1noc(C)c1[C@H](C)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826338800 1447287066 /nfs/dbraw/zinc/28/70/66/1447287066.db2.gz IOWMHOJPLRPPCX-MRVPVSSYSA-N -1 1 343.347 2.595 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000822271293 1449131558 /nfs/dbraw/zinc/13/15/58/1449131558.db2.gz VRLHHINEAJRQCI-UHFFFAOYSA-N -1 1 328.307 2.835 20 5 EFBDMM O=[N+]([O-])c1cnc(N2CCc3c2cccc3Cl)c(-c2nnn[n-]2)c1 ZINC000823652260 1449236261 /nfs/dbraw/zinc/23/62/61/1449236261.db2.gz XOUUEQRDDQWYDV-UHFFFAOYSA-N -1 1 343.734 2.518 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@H]1c1ccco1 ZINC000738360369 1449247999 /nfs/dbraw/zinc/24/79/99/1449247999.db2.gz VZMSVBKBXGOHCQ-GFCCVEGCSA-N -1 1 326.316 2.709 20 5 EFBDMM C[C@H](NCc1ccc(-c2nn[n-]n2)s1)c1ccccc1[N+](=O)[O-] ZINC000824611825 1449291345 /nfs/dbraw/zinc/29/13/45/1449291345.db2.gz FRIGUPIPPCPDPH-VIFPVBQESA-N -1 1 330.373 2.687 20 5 EFBDMM C[C@H](NCc1ccc(-c2nnn[n-]2)s1)c1ccccc1[N+](=O)[O-] ZINC000824611825 1449291351 /nfs/dbraw/zinc/29/13/51/1449291351.db2.gz FRIGUPIPPCPDPH-VIFPVBQESA-N -1 1 330.373 2.687 20 5 EFBDMM C[C@@H](NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000820425744 1449428486 /nfs/dbraw/zinc/42/84/86/1449428486.db2.gz BQFSCOBRYKCVEG-SNVBAGLBSA-N -1 1 342.334 2.765 20 5 EFBDMM C[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000736163960 1449484430 /nfs/dbraw/zinc/48/44/30/1449484430.db2.gz SXSSDHAHQGQJMX-SNVBAGLBSA-N -1 1 339.311 2.693 20 5 EFBDMM CC(C)(C)[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC000824080623 1449578500 /nfs/dbraw/zinc/57/85/00/1449578500.db2.gz YSEPJPQWKVGIAZ-BXUZGUMPSA-N -1 1 346.391 2.781 20 5 EFBDMM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@H]1CC12CCC2 ZINC000826450382 1449626952 /nfs/dbraw/zinc/62/69/52/1449626952.db2.gz JRCQCILAQCLIOU-MRVPVSSYSA-N -1 1 348.750 2.557 20 5 EFBDMM CCC[C@@H]1C[C@@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821040357 1449834977 /nfs/dbraw/zinc/83/49/77/1449834977.db2.gz KQGSYFVQHHSIPN-OTYXRUKQSA-N -1 1 339.359 2.924 20 5 EFBDMM C[C@@H]1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)C1 ZINC000824917908 1449905027 /nfs/dbraw/zinc/90/50/27/1449905027.db2.gz PDYJZDXFEPGWGD-BDJLRTHQSA-N -1 1 328.376 2.791 20 5 EFBDMM Cc1sc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737561424 1450133032 /nfs/dbraw/zinc/13/30/32/1450133032.db2.gz IBMJGNSKVIRTDA-UHFFFAOYSA-N -1 1 348.319 2.536 20 5 EFBDMM CCC=C(C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825220768 1450136591 /nfs/dbraw/zinc/13/65/91/1450136591.db2.gz WIKSIFOCHJFYCE-QPJJXVBHSA-N -1 1 336.739 2.723 20 5 EFBDMM O=C(CSc1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000737948197 1450204565 /nfs/dbraw/zinc/20/45/65/1450204565.db2.gz QBTMIRPENRKVTF-UHFFFAOYSA-N -1 1 341.352 2.750 20 5 EFBDMM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1cccc(-c2nnn[n-]2)c1 ZINC000820814791 1450218702 /nfs/dbraw/zinc/21/87/02/1450218702.db2.gz YLLOSTQZAGKEQN-NSHDSACASA-N -1 1 336.355 2.726 20 5 EFBDMM Cc1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000737365161 1450320484 /nfs/dbraw/zinc/32/04/84/1450320484.db2.gz FRTXPSSTNMXXND-UHFFFAOYSA-N -1 1 329.291 2.801 20 5 EFBDMM O=[N+]([O-])c1cccc(F)c1COc1ccc(-c2nnn[n-]2)cc1F ZINC000823648360 1450418812 /nfs/dbraw/zinc/41/88/12/1450418812.db2.gz VPAHGBFOIVKJPF-UHFFFAOYSA-N -1 1 333.254 2.632 20 5 EFBDMM O=[N+]([O-])c1cc(-c2ccccc2)ccc1OS(=O)(=O)c1c[n-]cn1 ZINC000121778630 715313399 /nfs/dbraw/zinc/31/33/99/715313399.db2.gz LJPGZIIQNOIIOE-UHFFFAOYSA-N -1 1 345.336 2.753 20 5 EFBDMM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2F)cc1[N+](=O)[O-] ZINC000078002351 721069166 /nfs/dbraw/zinc/06/91/66/721069166.db2.gz VGRPXDCVDHLZKJ-UHFFFAOYSA-N -1 1 328.296 2.982 20 5 EFBDMM O=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000731434897 726863689 /nfs/dbraw/zinc/86/36/89/726863689.db2.gz JRRRFUQIZMFALL-UHFFFAOYSA-N -1 1 348.322 2.909 20 5 EFBDMM COc1ccc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000916514150 727691837 /nfs/dbraw/zinc/69/18/37/727691837.db2.gz ZVHQXQWGVIAOLO-UHFFFAOYSA-N -1 1 346.364 2.652 20 5 EFBDMM C[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000920315267 729173059 /nfs/dbraw/zinc/17/30/59/729173059.db2.gz NXJLCZJBKVCGCC-VIFPVBQESA-N -1 1 344.776 2.751 20 5 EFBDMM COc1ccc(CNC(=O)c2c([O-])cccc2Cl)cc1[N+](=O)[O-] ZINC000920458703 729184775 /nfs/dbraw/zinc/18/47/75/729184775.db2.gz KKHOYELKXNWBJF-UHFFFAOYSA-N -1 1 336.731 2.892 20 5 EFBDMM CSc1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000064474930 729488050 /nfs/dbraw/zinc/48/80/50/729488050.db2.gz SCBWESALZAYRJK-UHFFFAOYSA-N -1 1 339.398 2.700 20 5 EFBDMM C[C@]1(C(=O)[O-])CCN(Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000235774775 949879235 /nfs/dbraw/zinc/87/92/35/949879235.db2.gz LKBHOBOUZMXMBC-ZDUSSCGKSA-N -1 1 343.177 2.654 20 5 EFBDMM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1cccc([N+](=O)[O-])c1Br ZINC000235309768 960408456 /nfs/dbraw/zinc/40/84/56/960408456.db2.gz OWTHVYFQUKDKQA-SCZZXKLOSA-N -1 1 343.177 2.652 20 5 EFBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC001591790976 975979295 /nfs/dbraw/zinc/97/92/95/975979295.db2.gz FNHVREXJEXXHFO-DYVFJYSZSA-N -1 1 334.372 2.821 20 5 EFBDMM Cc1ccc(CN2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000872161403 980050081 /nfs/dbraw/zinc/05/00/81/980050081.db2.gz ZAWZYFRVUBIFMX-ZDUSSCGKSA-N -1 1 332.278 2.742 20 5 EFBDMM C[C@@H](NCc1ccc(OCC(=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC001599841680 988848043 /nfs/dbraw/zinc/84/80/43/988848043.db2.gz CUOVSSBXHSMBPX-GFCCVEGCSA-N -1 1 330.340 2.909 20 5 EFBDMM COc1cccc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1F ZINC001599673027 994848115 /nfs/dbraw/zinc/84/81/15/994848115.db2.gz FOINSJNTFURNKW-QGZVFWFLSA-N -1 1 348.330 2.832 20 5 EFBDMM COc1ccc([C@@H](NCc2ccc([N+](=O)[O-])c(OC)c2)C(=O)[O-])cc1 ZINC001599531284 997657662 /nfs/dbraw/zinc/65/76/62/997657662.db2.gz JGOXCBKOWNKYQO-MRXNPFEDSA-N -1 1 346.339 2.528 20 5 EFBDMM COc1ccc([C@@H](NCc2ccc([N+](=O)[O-])cc2)C(=O)[O-])c(OC)c1 ZINC001599533284 997697690 /nfs/dbraw/zinc/69/76/90/997697690.db2.gz YVQLZBIIMYBIMT-MRXNPFEDSA-N -1 1 346.339 2.528 20 5 EFBDMM C[C@@H]1CC[C@](NCc2cccnc2[N+](=O)[O-])(C(=O)[O-])c2ccccc21 ZINC001594319970 999229512 /nfs/dbraw/zinc/22/95/12/999229512.db2.gz HNSXSXGULVGPET-KZULUSFZSA-N -1 1 341.367 2.957 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1Oc1ccc2c[nH]nc2c1 ZINC001582803662 1091668763 /nfs/dbraw/zinc/66/87/63/1091668763.db2.gz PNYVKBMDAMGFIP-UHFFFAOYSA-N -1 1 341.262 2.583 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NC/C=C/c1ccccc1 ZINC001582804547 1091670094 /nfs/dbraw/zinc/67/00/94/1091670094.db2.gz GMTYOIFXIODDPA-QPJJXVBHSA-N -1 1 328.357 2.962 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NC/C=C/c1ccccc1 ZINC001582804547 1091670099 /nfs/dbraw/zinc/67/00/99/1091670099.db2.gz GMTYOIFXIODDPA-QPJJXVBHSA-N -1 1 328.357 2.962 20 5 EFBDMM C[C@H](CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1nccs1 ZINC001589875180 1093162828 /nfs/dbraw/zinc/16/28/28/1093162828.db2.gz AYZHQXUWYJASBD-ZCFIWIBFSA-N -1 1 337.390 2.509 20 5 EFBDMM C[C@H](CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1nccs1 ZINC001589875180 1093162830 /nfs/dbraw/zinc/16/28/30/1093162830.db2.gz AYZHQXUWYJASBD-ZCFIWIBFSA-N -1 1 337.390 2.509 20 5 EFBDMM C[C@H](Cc1ccccc1F)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001589899115 1093172415 /nfs/dbraw/zinc/17/24/15/1093172415.db2.gz DXYGXECYMMFVOU-SNVBAGLBSA-N -1 1 342.334 2.957 20 5 EFBDMM CC1(CC(F)(F)F)CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001590122851 1093275516 /nfs/dbraw/zinc/27/55/16/1093275516.db2.gz ANSXPBFCDOPZCJ-UHFFFAOYSA-N -1 1 348.310 2.615 20 5 EFBDMM CC1(CC(F)(F)F)CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001590122851 1093275521 /nfs/dbraw/zinc/27/55/21/1093275521.db2.gz ANSXPBFCDOPZCJ-UHFFFAOYSA-N -1 1 348.310 2.615 20 5 EFBDMM C[C@@]1(CCNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@@]1(F)Cl ZINC001590128630 1093279602 /nfs/dbraw/zinc/27/96/02/1093279602.db2.gz ZSMZJOYIFGBICU-OLZOCXBDSA-N -1 1 340.746 2.892 20 5 EFBDMM C[C@@]1(CCNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@@]1(F)Cl ZINC001590128630 1093279606 /nfs/dbraw/zinc/27/96/06/1093279606.db2.gz ZSMZJOYIFGBICU-OLZOCXBDSA-N -1 1 340.746 2.892 20 5 EFBDMM C[C@]1(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1(Cl)Cl ZINC001590133369 1093280354 /nfs/dbraw/zinc/28/03/54/1093280354.db2.gz AOQFEDLBCUPWDO-SECBINFHSA-N -1 1 349.203 2.832 20 5 EFBDMM C[C@]1(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1(Cl)Cl ZINC001590133369 1093280357 /nfs/dbraw/zinc/28/03/57/1093280357.db2.gz AOQFEDLBCUPWDO-SECBINFHSA-N -1 1 349.203 2.832 20 5 EFBDMM CCC[C@H](CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)OCC ZINC001590557402 1093486328 /nfs/dbraw/zinc/48/63/28/1093486328.db2.gz BKFZZCVPXUDWKT-GFCCVEGCSA-N -1 1 334.380 2.700 20 5 EFBDMM CCC[C@H](CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)OCC ZINC001590557402 1093486333 /nfs/dbraw/zinc/48/63/33/1093486333.db2.gz BKFZZCVPXUDWKT-GFCCVEGCSA-N -1 1 334.380 2.700 20 5 EFBDMM CCC[C@]1(C)CCCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001590564675 1093490943 /nfs/dbraw/zinc/49/09/43/1093490943.db2.gz YELJZZRENFAYHN-MRXNPFEDSA-N -1 1 345.407 2.764 20 5 EFBDMM CCC[C@]1(C)CCCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001590564675 1093490949 /nfs/dbraw/zinc/49/09/49/1093490949.db2.gz YELJZZRENFAYHN-MRXNPFEDSA-N -1 1 345.407 2.764 20 5 EFBDMM CC[C@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1ccccn1 ZINC001590868092 1093606130 /nfs/dbraw/zinc/60/61/30/1093606130.db2.gz GEOOSXKISHFOAP-QMMMGPOBSA-N -1 1 331.361 2.795 20 5 EFBDMM CC[C@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1ccccn1 ZINC001590868092 1093606133 /nfs/dbraw/zinc/60/61/33/1093606133.db2.gz GEOOSXKISHFOAP-QMMMGPOBSA-N -1 1 331.361 2.795 20 5 EFBDMM CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590891285 1093619861 /nfs/dbraw/zinc/61/98/61/1093619861.db2.gz HCVVEUUMUCRUNT-UHFFFAOYSA-N -1 1 344.356 2.651 20 5 EFBDMM CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590891285 1093619864 /nfs/dbraw/zinc/61/98/64/1093619864.db2.gz HCVVEUUMUCRUNT-UHFFFAOYSA-N -1 1 344.356 2.651 20 5 EFBDMM CCc1nc([C@@H](C)Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cs1 ZINC001590910955 1093628934 /nfs/dbraw/zinc/62/89/34/1093628934.db2.gz SFRUTPDAXGHZGW-MRVPVSSYSA-N -1 1 345.388 2.967 20 5 EFBDMM CCc1nc([C@@H](C)Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cs1 ZINC001590910955 1093628941 /nfs/dbraw/zinc/62/89/41/1093628941.db2.gz SFRUTPDAXGHZGW-MRVPVSSYSA-N -1 1 345.388 2.967 20 5 EFBDMM CN(Cc1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591146580 1093674082 /nfs/dbraw/zinc/67/40/82/1093674082.db2.gz BXBULGIINFPKCT-UHFFFAOYSA-N -1 1 328.307 2.550 20 5 EFBDMM CN(Cc1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591146580 1093674084 /nfs/dbraw/zinc/67/40/84/1093674084.db2.gz BXBULGIINFPKCT-UHFFFAOYSA-N -1 1 328.307 2.550 20 5 EFBDMM COc1cc(C)ccc1CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591521074 1093749808 /nfs/dbraw/zinc/74/98/08/1093749808.db2.gz JOVDCKBSLTWINW-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM COc1cc(C)ccc1CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591521074 1093749811 /nfs/dbraw/zinc/74/98/11/1093749811.db2.gz JOVDCKBSLTWINW-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM COc1ccc(F)cc1CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591607049 1093794677 /nfs/dbraw/zinc/79/46/77/1093794677.db2.gz URCLMZGGOXLMLJ-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM CS[C@@H]1CCCCN(c2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001591689651 1093824663 /nfs/dbraw/zinc/82/46/63/1093824663.db2.gz GKAJSMOTIJNJOO-GFCCVEGCSA-N -1 1 348.432 2.805 20 5 EFBDMM CS[C@@H]1CCCCN(c2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001591689651 1093824667 /nfs/dbraw/zinc/82/46/67/1093824667.db2.gz GKAJSMOTIJNJOO-GFCCVEGCSA-N -1 1 348.432 2.805 20 5 EFBDMM Cc1cc(N2CCC[C@@H](C3CC3)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592003756 1093952468 /nfs/dbraw/zinc/95/24/68/1093952468.db2.gz JFKXREQDKJDJQG-GFCCVEGCSA-N -1 1 328.376 2.710 20 5 EFBDMM Cc1cc(N2CCC[C@@H](C3CC3)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592003756 1093952471 /nfs/dbraw/zinc/95/24/71/1093952471.db2.gz JFKXREQDKJDJQG-GFCCVEGCSA-N -1 1 328.376 2.710 20 5 EFBDMM Cc1cc(NCC(C)(C)[C@H](O)C(C)C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592038788 1093963979 /nfs/dbraw/zinc/96/39/79/1093963979.db2.gz LUHBHVTWIDTEDH-CQSZACIVSA-N -1 1 348.407 2.538 20 5 EFBDMM Cc1cc(NCC(C)(C)[C@H](O)C(C)C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592038788 1093963983 /nfs/dbraw/zinc/96/39/83/1093963983.db2.gz LUHBHVTWIDTEDH-CQSZACIVSA-N -1 1 348.407 2.538 20 5 EFBDMM Cc1cc(N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592036582 1093964485 /nfs/dbraw/zinc/96/44/85/1093964485.db2.gz NWVVQMOOMBARBR-GUDFOSOFSA-N -1 1 336.302 2.539 20 5 EFBDMM Cc1cc(N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592036582 1093964488 /nfs/dbraw/zinc/96/44/88/1093964488.db2.gz NWVVQMOOMBARBR-GUDFOSOFSA-N -1 1 336.302 2.539 20 5 EFBDMM Cc1cc(NC[C@H](C)c2ccccn2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592040806 1093964607 /nfs/dbraw/zinc/96/46/07/1093964607.db2.gz KGTMMKWXLXRXAR-NSHDSACASA-N -1 1 339.359 2.694 20 5 EFBDMM Cc1cc(NC[C@H](C)c2ccccn2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592040806 1093964610 /nfs/dbraw/zinc/96/46/10/1093964610.db2.gz KGTMMKWXLXRXAR-NSHDSACASA-N -1 1 339.359 2.694 20 5 EFBDMM Cc1ccc(CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C2CC2)o1 ZINC001592152797 1094003210 /nfs/dbraw/zinc/00/32/10/1094003210.db2.gz JHPHQXXJUAFSFH-UHFFFAOYSA-N -1 1 340.343 2.845 20 5 EFBDMM Cc1ccc2c(c1)[C@@H](Nc1ccc(-c3nn[n-]n3)c([N+](=O)[O-])c1)CO2 ZINC001592200705 1094027635 /nfs/dbraw/zinc/02/76/35/1094027635.db2.gz KBMRXSVIEIBXDE-ZDUSSCGKSA-N -1 1 338.327 2.629 20 5 EFBDMM Cc1nc(C)c(CNc2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)s1 ZINC001592357282 1094087773 /nfs/dbraw/zinc/08/77/73/1094087773.db2.gz ISJUOONODVGXFW-UHFFFAOYSA-N -1 1 345.388 2.769 20 5 EFBDMM Cc1nc(C)c(CNc2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)s1 ZINC001592357282 1094087779 /nfs/dbraw/zinc/08/77/79/1094087779.db2.gz ISJUOONODVGXFW-UHFFFAOYSA-N -1 1 345.388 2.769 20 5 EFBDMM Cc1noc(C)c1[C@@H](C)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001592456096 1094107464 /nfs/dbraw/zinc/10/74/64/1094107464.db2.gz GKFAMQBRTQHXOV-QMMMGPOBSA-N -1 1 343.347 2.595 20 5 EFBDMM Cc1noc(C)c1[C@@H](C)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001592456042 1094107793 /nfs/dbraw/zinc/10/77/93/1094107793.db2.gz DNOKJUDUCVTNDP-SSDOTTSWSA-N -1 1 329.320 2.553 20 5 EFBDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001592502855 1094115149 /nfs/dbraw/zinc/11/51/49/1094115149.db2.gz LEMKMYGPHYRJDF-UHFFFAOYSA-N -1 1 348.706 2.582 20 5 EFBDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001592502855 1094115150 /nfs/dbraw/zinc/11/51/50/1094115150.db2.gz LEMKMYGPHYRJDF-UHFFFAOYSA-N -1 1 348.706 2.582 20 5 EFBDMM Nc1cc(NC2CCCCCCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759632 1094185961 /nfs/dbraw/zinc/18/59/61/1094185961.db2.gz DZECAAVOAHWPLP-UHFFFAOYSA-N -1 1 331.380 2.882 20 5 EFBDMM Nc1cc(NC2CCCCCCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759632 1094185964 /nfs/dbraw/zinc/18/59/64/1094185964.db2.gz DZECAAVOAHWPLP-UHFFFAOYSA-N -1 1 331.380 2.882 20 5 EFBDMM O=Cc1ccc(Oc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c(F)c1 ZINC001593415611 1094305275 /nfs/dbraw/zinc/30/52/75/1094305275.db2.gz AZPIRJNZIOXPRH-UHFFFAOYSA-N -1 1 329.247 2.519 20 5 EFBDMM O=Cc1ccc(Oc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c(F)c1 ZINC001593415611 1094305288 /nfs/dbraw/zinc/30/52/88/1094305288.db2.gz AZPIRJNZIOXPRH-UHFFFAOYSA-N -1 1 329.247 2.519 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC[C@H](c2ccccc2)C1 ZINC001593467273 1094308015 /nfs/dbraw/zinc/30/80/15/1094308015.db2.gz VBXPCCJWORWPKM-ZDUSSCGKSA-N -1 1 336.355 2.769 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC[C@H](c2ccccc2)C1 ZINC001593467273 1094308025 /nfs/dbraw/zinc/30/80/25/1094308025.db2.gz VBXPCCJWORWPKM-ZDUSSCGKSA-N -1 1 336.355 2.769 20 5 EFBDMM O=[N+]([O-])c1c(NCC[C@@H]2CCC3(CCC3)O2)cccc1-c1nnn[n-]1 ZINC001593465418 1094308643 /nfs/dbraw/zinc/30/86/43/1094308643.db2.gz OBXJNAHXQQUQFY-NSHDSACASA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1c(NCC[C@@H]2CCC3(CCC3)O2)cccc1-c1nn[n-]n1 ZINC001593465418 1094308649 /nfs/dbraw/zinc/30/86/49/1094308649.db2.gz OBXJNAHXQQUQFY-NSHDSACASA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1c(NCC[C@H]2CC2(Cl)Cl)cccc1-c1nnn[n-]1 ZINC001593466329 1094308857 /nfs/dbraw/zinc/30/88/57/1094308857.db2.gz YINVZSPLRXWRPP-ZETCQYMHSA-N -1 1 343.174 2.771 20 5 EFBDMM O=[N+]([O-])c1c(NCC[C@H]2CC2(Cl)Cl)cccc1-c1nn[n-]n1 ZINC001593466329 1094308869 /nfs/dbraw/zinc/30/88/69/1094308869.db2.gz YINVZSPLRXWRPP-ZETCQYMHSA-N -1 1 343.174 2.771 20 5 EFBDMM O=[N+]([O-])c1c(N[C@H]2CCOC3(CCCC3)C2)cccc1-c1nnn[n-]1 ZINC001593465422 1094310069 /nfs/dbraw/zinc/31/00/69/1094310069.db2.gz OCNBCLQQDARBNF-NSHDSACASA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1c(N[C@H]2CCOC3(CCCC3)C2)cccc1-c1nn[n-]n1 ZINC001593465422 1094310075 /nfs/dbraw/zinc/31/00/75/1094310075.db2.gz OCNBCLQQDARBNF-NSHDSACASA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1c(Oc2cccc(-n3cccn3)c2)cccc1-c1nnn[n-]1 ZINC001593468370 1094311458 /nfs/dbraw/zinc/31/14/58/1094311458.db2.gz DZAJHHWLADYTMN-UHFFFAOYSA-N -1 1 349.310 2.753 20 5 EFBDMM O=[N+]([O-])c1c(Oc2cccc(-n3cccn3)c2)cccc1-c1nn[n-]n1 ZINC001593468370 1094311466 /nfs/dbraw/zinc/31/14/66/1094311466.db2.gz DZAJHHWLADYTMN-UHFFFAOYSA-N -1 1 349.310 2.753 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001593467300 1094312279 /nfs/dbraw/zinc/31/22/79/1094312279.db2.gz WBAAPHVWMVYWHE-SCLBCKFNSA-N -1 1 348.366 2.553 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001593467300 1094312284 /nfs/dbraw/zinc/31/22/84/1094312284.db2.gz WBAAPHVWMVYWHE-SCLBCKFNSA-N -1 1 348.366 2.553 20 5 EFBDMM O=[N+]([O-])c1cc(N2CCS[C@H]3CCCC[C@H]32)ccc1-c1nn[n-]n1 ZINC001593470601 1094314424 /nfs/dbraw/zinc/31/44/24/1094314424.db2.gz GDYBVRLGHRNVOW-OCCSQVGLSA-N -1 1 346.416 2.639 20 5 EFBDMM O=[N+]([O-])c1cc(N2CC3(CC3)c3ccccc32)ccc1-c1nn[n-]n1 ZINC001593471181 1094315084 /nfs/dbraw/zinc/31/50/84/1094315084.db2.gz KKMSZVSPYBGVHW-UHFFFAOYSA-N -1 1 334.339 2.958 20 5 EFBDMM O=[N+]([O-])c1cc(NCCCNc2ccccc2)ccc1-c1nn[n-]n1 ZINC001593473544 1094318845 /nfs/dbraw/zinc/31/88/45/1094318845.db2.gz HHCXDJJYVHBLRB-UHFFFAOYSA-N -1 1 339.359 2.689 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CC[C@@H](c3ccccc3)C2)cc1-c1nnn[n-]1 ZINC001593476694 1094321075 /nfs/dbraw/zinc/32/10/75/1094321075.db2.gz VDSFTLKQDFRFIG-CYBMUJFWSA-N -1 1 336.355 2.769 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CC[C@@H](c3ccccc3)C2)cc1-c1nn[n-]n1 ZINC001593476694 1094321086 /nfs/dbraw/zinc/32/10/86/1094321086.db2.gz VDSFTLKQDFRFIG-CYBMUJFWSA-N -1 1 336.355 2.769 20 5 EFBDMM O=[N+]([O-])c1cc(N[C@H]2CCOC23CCCCC3)ccc1-c1nn[n-]n1 ZINC001593475250 1094321363 /nfs/dbraw/zinc/32/13/63/1094321363.db2.gz ZFHSGYOWJIZZEK-AWEZNQCLSA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@H](c2ccccn2)C2CC2)cc1-c1nnn[n-]1 ZINC001593478139 1094322721 /nfs/dbraw/zinc/32/27/21/1094322721.db2.gz BVEIFKWTCMPEPU-HNNXBMFYSA-N -1 1 337.343 2.733 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@H](c2ccccn2)C2CC2)cc1-c1nn[n-]n1 ZINC001593478139 1094322727 /nfs/dbraw/zinc/32/27/27/1094322727.db2.gz BVEIFKWTCMPEPU-HNNXBMFYSA-N -1 1 337.343 2.733 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCSc2ccccc2)cc1-c1nnn[n-]1 ZINC001593479199 1094323176 /nfs/dbraw/zinc/32/31/76/1094323176.db2.gz YJIYRMZEUNNJCC-UHFFFAOYSA-N -1 1 342.384 2.979 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCSc2ccccc2)cc1-c1nn[n-]n1 ZINC001593479199 1094323183 /nfs/dbraw/zinc/32/31/83/1094323183.db2.gz YJIYRMZEUNNJCC-UHFFFAOYSA-N -1 1 342.384 2.979 20 5 EFBDMM O=[N+]([O-])c1ccc(NCc2cccc3cc[nH]c32)cc1-c1nnn[n-]1 ZINC001593478951 1094323288 /nfs/dbraw/zinc/32/32/88/1094323288.db2.gz SAGPWBHQLDBLHD-UHFFFAOYSA-N -1 1 335.327 2.868 20 5 EFBDMM O=[N+]([O-])c1ccc(NCc2cccc3cc[nH]c32)cc1-c1nn[n-]n1 ZINC001593478951 1094323297 /nfs/dbraw/zinc/32/32/97/1094323297.db2.gz SAGPWBHQLDBLHD-UHFFFAOYSA-N -1 1 335.327 2.868 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCc1cccc(F)c1F ZINC001593487259 1094329439 /nfs/dbraw/zinc/32/94/39/1094329439.db2.gz AXMXHOMRPQIZDP-UHFFFAOYSA-N -1 1 338.299 2.727 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCc1cccc(F)c1F ZINC001593487259 1094329448 /nfs/dbraw/zinc/32/94/48/1094329448.db2.gz AXMXHOMRPQIZDP-UHFFFAOYSA-N -1 1 338.299 2.727 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC[C@H]2CCCC[C@H]2C1 ZINC001593487232 1094329648 /nfs/dbraw/zinc/32/96/48/1094329648.db2.gz FZQCUGKONIHUES-ZJUUUORDSA-N -1 1 334.405 2.853 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC[C@H]2CCCC[C@H]2C1 ZINC001593487232 1094329659 /nfs/dbraw/zinc/32/96/59/1094329659.db2.gz FZQCUGKONIHUES-ZJUUUORDSA-N -1 1 334.405 2.853 20 5 EFBDMM Cc1c(C(=O)[O-])cc(CNCc2ccc(Cl)cc2[N+](=O)[O-])n1C ZINC001599994539 1094708751 /nfs/dbraw/zinc/70/87/51/1094708751.db2.gz ZHVHYARALYKUSP-UHFFFAOYSA-N -1 1 337.763 2.883 20 5 EFBDMM Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001600304903 1094957465 /nfs/dbraw/zinc/95/74/65/1094957465.db2.gz USNRVSLHXPYAFO-CYBMUJFWSA-N -1 1 332.278 2.742 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001600487144 1095101985 /nfs/dbraw/zinc/10/19/85/1095101985.db2.gz NBNNFKXPYYZXIQ-CYBMUJFWSA-N -1 1 344.371 2.731 20 5 EFBDMM Cn1cc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1C(=O)[O-] ZINC001600952623 1095445222 /nfs/dbraw/zinc/44/52/22/1095445222.db2.gz VTRRSOQVVRJPFG-UHFFFAOYSA-N -1 1 329.356 2.796 20 5 EFBDMM O=C([O-])[C@]12CCC[C@H]1CN(Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC001602222318 1096123974 /nfs/dbraw/zinc/12/39/74/1096123974.db2.gz WGOXHNWCDZDHGI-VFZGTOFNSA-N -1 1 326.299 2.560 20 5 EFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN[C@H](CCO)c2cccs2)c1 ZINC001602404322 1096223922 /nfs/dbraw/zinc/22/39/22/1096223922.db2.gz VFBVRGFFOVCRMD-GFCCVEGCSA-N -1 1 336.369 2.568 20 5 EFBDMM C[C@H](COc1ccccc1)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603570899 1096554805 /nfs/dbraw/zinc/55/48/05/1096554805.db2.gz JIKRZZRFNQDFKZ-LLVKDONJSA-N -1 1 340.343 2.654 20 5 EFBDMM C[C@H](COc1ccccc1)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603570899 1096554814 /nfs/dbraw/zinc/55/48/14/1096554814.db2.gz JIKRZZRFNQDFKZ-LLVKDONJSA-N -1 1 340.343 2.654 20 5 EFBDMM CC1(C)C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C(C)(C)O1 ZINC001603764644 1096618292 /nfs/dbraw/zinc/61/82/92/1096618292.db2.gz GXYOJGXCYVUPLI-GFCCVEGCSA-N -1 1 332.364 2.533 20 5 EFBDMM CC1(C)C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C(C)(C)O1 ZINC001603764644 1096618296 /nfs/dbraw/zinc/61/82/96/1096618296.db2.gz GXYOJGXCYVUPLI-GFCCVEGCSA-N -1 1 332.364 2.533 20 5 EFBDMM C[C@]1(CCNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@]1(F)Cl ZINC001603800456 1096632041 /nfs/dbraw/zinc/63/20/41/1096632041.db2.gz NWKMYGYRWMNKIZ-STQMWFEESA-N -1 1 340.746 2.892 20 5 EFBDMM C[C@]1(CCNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@]1(F)Cl ZINC001603800456 1096632044 /nfs/dbraw/zinc/63/20/44/1096632044.db2.gz NWKMYGYRWMNKIZ-STQMWFEESA-N -1 1 340.746 2.892 20 5 EFBDMM CCC(CC)(CCO)CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001604018932 1096701860 /nfs/dbraw/zinc/70/18/60/1096701860.db2.gz BXEOJLSVLIUADS-UHFFFAOYSA-N -1 1 348.407 2.684 20 5 EFBDMM CCC(CC)(CCO)CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001604018932 1096701863 /nfs/dbraw/zinc/70/18/63/1096701863.db2.gz BXEOJLSVLIUADS-UHFFFAOYSA-N -1 1 348.407 2.684 20 5 EFBDMM C[C@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC001604754018 1096947873 /nfs/dbraw/zinc/94/78/73/1096947873.db2.gz PBKAFCZTRSDNAJ-LRDDRELGSA-N -1 1 344.371 2.573 20 5 EFBDMM CN(CCc1cccs1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001604792106 1096955745 /nfs/dbraw/zinc/95/57/45/1096955745.db2.gz JMLNCNFQMVQWGN-UHFFFAOYSA-N -1 1 330.373 2.515 20 5 EFBDMM COc1cc([N+](=O)[O-])ccc1COc1cccc(F)c1-c1nnn[n-]1 ZINC001605239039 1097064132 /nfs/dbraw/zinc/06/41/32/1097064132.db2.gz SIAQWAKSAXNXJF-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM COc1cc([N+](=O)[O-])ccc1COc1cccc(F)c1-c1nn[n-]n1 ZINC001605239039 1097064138 /nfs/dbraw/zinc/06/41/38/1097064138.db2.gz SIAQWAKSAXNXJF-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM COc1ccc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1F ZINC001605286311 1097082614 /nfs/dbraw/zinc/08/26/14/1097082614.db2.gz UPNAPXAFCKBVIN-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM COc1ccc(Oc2cccc(F)c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001605305432 1097088617 /nfs/dbraw/zinc/08/86/17/1097088617.db2.gz MSHYNPVIZFOQDA-UHFFFAOYSA-N -1 1 331.263 2.715 20 5 EFBDMM COc1ccc(Oc2cccc(F)c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001605305432 1097088622 /nfs/dbraw/zinc/08/86/22/1097088622.db2.gz MSHYNPVIZFOQDA-UHFFFAOYSA-N -1 1 331.263 2.715 20 5 EFBDMM Cc1cc(N2CC3(CCC3)C[C@H]2C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605692253 1097196372 /nfs/dbraw/zinc/19/63/72/1097196372.db2.gz VVYWIMZBJVQDNN-LLVKDONJSA-N -1 1 328.376 2.852 20 5 EFBDMM Cc1cc(N2CC3(CCC3)C[C@H]2C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605692253 1097196374 /nfs/dbraw/zinc/19/63/74/1097196374.db2.gz VVYWIMZBJVQDNN-LLVKDONJSA-N -1 1 328.376 2.852 20 5 EFBDMM Cc1cc(N2CCc3ccsc3C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605699074 1097198374 /nfs/dbraw/zinc/19/83/74/1097198374.db2.gz BPJJYXCWEWRFMQ-UHFFFAOYSA-N -1 1 342.384 2.708 20 5 EFBDMM Cc1cc(N2CCc3ccsc3C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605699074 1097198377 /nfs/dbraw/zinc/19/83/77/1097198377.db2.gz BPJJYXCWEWRFMQ-UHFFFAOYSA-N -1 1 342.384 2.708 20 5 EFBDMM Cc1cc(NC[C@H](C)c2nccs2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605726759 1097207696 /nfs/dbraw/zinc/20/76/96/1097207696.db2.gz LVBWNQKJTXORJU-VIFPVBQESA-N -1 1 345.388 2.755 20 5 EFBDMM Cc1cc(NC[C@H](C)c2nccs2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605726759 1097207698 /nfs/dbraw/zinc/20/76/98/1097207698.db2.gz LVBWNQKJTXORJU-VIFPVBQESA-N -1 1 345.388 2.755 20 5 EFBDMM Cc1nc(Oc2ccc([N+](=O)[O-])c3ccccc23)cc(-c2nnn[n-]2)n1 ZINC001606079092 1097313759 /nfs/dbraw/zinc/31/37/59/1097313759.db2.gz YJRXBLUQSYQSER-UHFFFAOYSA-N -1 1 349.310 2.819 20 5 EFBDMM Cc1nc(Oc2ccc([N+](=O)[O-])c3ccccc23)cc(-c2nn[n-]n2)n1 ZINC001606079092 1097313765 /nfs/dbraw/zinc/31/37/65/1097313765.db2.gz YJRXBLUQSYQSER-UHFFFAOYSA-N -1 1 349.310 2.819 20 5 EFBDMM Cc1nnc(Oc2cc(Cl)ccc2[N+](=O)[O-])c(-c2nnn[n-]2)c1C ZINC001606124039 1097322938 /nfs/dbraw/zinc/32/29/38/1097322938.db2.gz LYFAETGESWCNJC-UHFFFAOYSA-N -1 1 347.722 2.627 20 5 EFBDMM Cc1nnc(Oc2cc(Cl)ccc2[N+](=O)[O-])c(-c2nn[n-]n2)c1C ZINC001606124039 1097322942 /nfs/dbraw/zinc/32/29/42/1097322942.db2.gz LYFAETGESWCNJC-UHFFFAOYSA-N -1 1 347.722 2.627 20 5 EFBDMM O=[N+]([O-])c1c(N[C@H]2C[C@H]2Cc2ccccc2)cccc1-c1nnn[n-]1 ZINC001607077947 1097506788 /nfs/dbraw/zinc/50/67/88/1097506788.db2.gz HQTYBJUGMAOSAD-DOMZBBRYSA-N -1 1 336.355 2.818 20 5 EFBDMM O=[N+]([O-])c1c(N[C@H]2C[C@H]2Cc2ccccc2)cccc1-c1nn[n-]n1 ZINC001607077947 1097506794 /nfs/dbraw/zinc/50/67/94/1097506794.db2.gz HQTYBJUGMAOSAD-DOMZBBRYSA-N -1 1 336.355 2.818 20 5 EFBDMM O=[N+]([O-])c1cc(N2CC[C@@H]3CCCC[C@H]3C2)ccc1-c1nn[n-]n1 ZINC001607078772 1097507015 /nfs/dbraw/zinc/50/70/15/1097507015.db2.gz LIWWRQZZNNLXEJ-RYUDHWBXSA-N -1 1 328.376 2.791 20 5 EFBDMM O=[N+]([O-])c1cc(NCc2ccc3ncccc3c2)ccc1-c1nn[n-]n1 ZINC001607078854 1097507101 /nfs/dbraw/zinc/50/71/01/1097507101.db2.gz ALRHUKATAGMMFO-UHFFFAOYSA-N -1 1 347.338 2.935 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H]2CCCc3cccnc32)cc1-c1nnn[n-]1 ZINC001607082034 1097507778 /nfs/dbraw/zinc/50/77/78/1097507778.db2.gz IEBMERRITSEIOQ-CYBMUJFWSA-N -1 1 337.343 2.659 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H]2CCCc3cccnc32)cc1-c1nn[n-]n1 ZINC001607082034 1097507782 /nfs/dbraw/zinc/50/77/82/1097507782.db2.gz IEBMERRITSEIOQ-CYBMUJFWSA-N -1 1 337.343 2.659 20 5 EFBDMM O=C([O-])[C@@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])c2ccccc21 ZINC001608634981 1097972068 /nfs/dbraw/zinc/97/20/68/1097972068.db2.gz FBVIDNRPKBCRKP-CQSZACIVSA-N -1 1 328.324 2.879 20 5 EFBDMM O=C([O-])COc1ccc(CN2CC3(CCC3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC001608759126 1098010997 /nfs/dbraw/zinc/01/09/97/1098010997.db2.gz YCFDFEOMQGTUTR-KRWDZBQOSA-N -1 1 346.383 2.823 20 5 EFBDMM CC(C)C(CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)C(C)C ZINC001609088198 1098138610 /nfs/dbraw/zinc/13/86/10/1098138610.db2.gz MWNJQMGJVUPOOX-UHFFFAOYSA-N -1 1 333.396 2.697 20 5 EFBDMM CC(C)C(CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)C(C)C ZINC001609088198 1098138611 /nfs/dbraw/zinc/13/86/11/1098138611.db2.gz MWNJQMGJVUPOOX-UHFFFAOYSA-N -1 1 333.396 2.697 20 5 EFBDMM C[C@@H]1Oc2ccccc2[C@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609179523 1098184580 /nfs/dbraw/zinc/18/45/80/1098184580.db2.gz SXDAHBJISGMMGV-VFZGTOFNSA-N -1 1 338.327 2.709 20 5 EFBDMM CCCO[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC001609216146 1098206889 /nfs/dbraw/zinc/20/68/89/1098206889.db2.gz LFMUUDHJNWXWCJ-ZDUSSCGKSA-N -1 1 346.391 2.560 20 5 EFBDMM CCOCCC1(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCC1 ZINC001609240169 1098218527 /nfs/dbraw/zinc/21/85/27/1098218527.db2.gz OJZSXQNXDJTLSE-UHFFFAOYSA-N -1 1 346.391 2.784 20 5 EFBDMM CCOCCC1(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCC1 ZINC001609240169 1098218532 /nfs/dbraw/zinc/21/85/32/1098218532.db2.gz OJZSXQNXDJTLSE-UHFFFAOYSA-N -1 1 346.391 2.784 20 5 EFBDMM COc1cccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1 ZINC001609361054 1098265495 /nfs/dbraw/zinc/26/54/95/1098265495.db2.gz BGJYOGCIRGXJMF-SNVBAGLBSA-N -1 1 340.343 2.957 20 5 EFBDMM CS[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001609370222 1098269201 /nfs/dbraw/zinc/26/92/01/1098269201.db2.gz YGZMWVDSASGUFS-ONGXEEELSA-N -1 1 334.405 2.861 20 5 EFBDMM CS[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001609370222 1098269205 /nfs/dbraw/zinc/26/92/05/1098269205.db2.gz YGZMWVDSASGUFS-ONGXEEELSA-N -1 1 334.405 2.861 20 5 EFBDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001609468264 1098340449 /nfs/dbraw/zinc/34/04/49/1098340449.db2.gz MPSIEGCZPGFPAQ-QMMMGPOBSA-N -1 1 343.299 2.594 20 5 EFBDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001609468264 1098340462 /nfs/dbraw/zinc/34/04/62/1098340462.db2.gz MPSIEGCZPGFPAQ-QMMMGPOBSA-N -1 1 343.299 2.594 20 5 EFBDMM O=[N+]([O-])c1cc(NCC2(CCO)CCCCC2)ccc1-c1nn[n-]n1 ZINC001609600897 1098395035 /nfs/dbraw/zinc/39/50/35/1098395035.db2.gz IXVXMFDIRHKYSB-UHFFFAOYSA-N -1 1 346.391 2.520 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CC[C@@H]3CCCC[C@H]3C2)cc1-c1nnn[n-]1 ZINC001609601354 1098396593 /nfs/dbraw/zinc/39/65/93/1098396593.db2.gz JKLUGXOPKSTLHQ-RYUDHWBXSA-N -1 1 328.376 2.791 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CC[C@@H]3CCCC[C@H]3C2)cc1-c1nn[n-]n1 ZINC001609601354 1098396596 /nfs/dbraw/zinc/39/65/96/1098396596.db2.gz JKLUGXOPKSTLHQ-RYUDHWBXSA-N -1 1 328.376 2.791 20 5 EFBDMM CC1=C(Oc2c([O-])cc(Br)cc2[N+](=O)[O-])C(=O)O[C@@H]1C ZINC001234878888 1111431527 /nfs/dbraw/zinc/43/15/27/1111431527.db2.gz ZPFWVFQWMFJNPB-ZCFIWIBFSA-N -1 1 344.117 2.661 20 5 EFBDMM O=C(NC[C@H]1CCCC[C@@H]1C(F)(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000360459967 295683125 /nfs/dbraw/zinc/68/31/25/295683125.db2.gz JUQFWEWRRDMLLY-KCJUWKMLSA-N -1 1 347.293 2.794 20 5 EFBDMM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000189906626 237387188 /nfs/dbraw/zinc/38/71/88/237387188.db2.gz UGFFDGAKFPNADY-RISCZKNCSA-N -1 1 327.340 2.714 20 5 EFBDMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000174729232 239241469 /nfs/dbraw/zinc/24/14/69/239241469.db2.gz COBPTVKSIXCLPB-UHFFFAOYSA-N -1 1 336.369 2.505 20 5 EFBDMM Cc1cccc(C)c1OC[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193458416 240108501 /nfs/dbraw/zinc/10/85/01/240108501.db2.gz AGXUCUOAMMAZOC-LBPRGKRZSA-N -1 1 345.355 2.510 20 5 EFBDMM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193602874 240229427 /nfs/dbraw/zinc/22/94/27/240229427.db2.gz UBISTHMQRGUMNO-ZWNOBZJWSA-N -1 1 345.330 2.853 20 5 EFBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000005121404 201639481 /nfs/dbraw/zinc/63/94/81/201639481.db2.gz UIWMDHMGIFLQGK-UHFFFAOYSA-N -1 1 326.305 2.543 20 5 EFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)cc1[N+](=O)[O-] ZINC000005126882 201640674 /nfs/dbraw/zinc/64/06/74/201640674.db2.gz ZIZVYUJRIHSZAY-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM O=C(N[C@@H]1CCOc2c(Cl)cccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000302988424 284077673 /nfs/dbraw/zinc/07/76/73/284077673.db2.gz KXNITQRCVHRECC-GFCCVEGCSA-N -1 1 349.730 2.602 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](CC(F)(F)F)C1 ZINC000421967982 246189935 /nfs/dbraw/zinc/18/99/35/246189935.db2.gz QTBTXQWBMLZCTL-MRVPVSSYSA-N -1 1 333.266 2.500 20 5 EFBDMM CCCCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1 ZINC000159964035 206273108 /nfs/dbraw/zinc/27/31/08/206273108.db2.gz BELWKRHBLQSFQR-UHFFFAOYSA-N -1 1 342.352 2.600 20 5 EFBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000427115104 247318423 /nfs/dbraw/zinc/31/84/23/247318423.db2.gz QKFWPDLXLINQEQ-UHFFFAOYSA-N -1 1 346.324 2.967 20 5 EFBDMM O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])[N-]O[C@@H]1CCCCO1 ZINC000265266116 247353668 /nfs/dbraw/zinc/35/36/68/247353668.db2.gz NBMQJLCPNCWZIT-CQSZACIVSA-N -1 1 344.751 2.592 20 5 EFBDMM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(C)ns2)cc1SC ZINC000266619399 248386561 /nfs/dbraw/zinc/38/65/61/248386561.db2.gz ZFCHOHFZGHTNSV-UHFFFAOYSA-N -1 1 340.386 2.738 20 5 EFBDMM O=C(Nc1cccc(Oc2cccnn2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000443115086 250162094 /nfs/dbraw/zinc/16/20/94/250162094.db2.gz XGSCCKPRVXHSSB-UHFFFAOYSA-N -1 1 325.284 2.758 20 5 EFBDMM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000443935525 250237622 /nfs/dbraw/zinc/23/76/22/250237622.db2.gz OAJZCCPXAUAUTL-KCJUWKMLSA-N -1 1 340.323 2.850 20 5 EFBDMM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000443935524 250237842 /nfs/dbraw/zinc/23/78/42/250237842.db2.gz OAJZCCPXAUAUTL-GZMMTYOYSA-N -1 1 340.323 2.850 20 5 EFBDMM CC(C)(C)c1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000444863833 250359483 /nfs/dbraw/zinc/35/94/83/250359483.db2.gz YYHBVLZASCVSCX-UHFFFAOYSA-N -1 1 329.356 2.923 20 5 EFBDMM O=C(NCc1ccccc1C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444861594 250359535 /nfs/dbraw/zinc/35/95/35/250359535.db2.gz UEDFVVYVQLYJJL-UHFFFAOYSA-N -1 1 341.245 2.644 20 5 EFBDMM C[C@](Cc1ccccc1)(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000457044872 255673156 /nfs/dbraw/zinc/67/31/56/255673156.db2.gz NKGQNZNXKQPDHQ-GOSISDBHSA-N -1 1 341.367 2.837 20 5 EFBDMM COC(=O)CSCc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000343451762 142000654 /nfs/dbraw/zinc/00/06/54/142000654.db2.gz RIJJVZYGCVGSEU-UHFFFAOYSA-N -1 1 349.368 2.581 20 5 EFBDMM Cc1ccc([O-])c(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000345921809 142118047 /nfs/dbraw/zinc/11/80/47/142118047.db2.gz FAGCDXDIEQKETL-UHFFFAOYSA-N -1 1 340.295 2.510 20 5 EFBDMM CCc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cnn1-c1ccccc1 ZINC000346128654 142151282 /nfs/dbraw/zinc/15/12/82/142151282.db2.gz WOOWXFSWUFAZNH-UHFFFAOYSA-N -1 1 325.328 2.923 20 5 EFBDMM Cc1cnn(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2F)c1 ZINC000346448001 142206332 /nfs/dbraw/zinc/20/63/32/142206332.db2.gz AUYOFKFEPFMQLW-UHFFFAOYSA-N -1 1 329.291 2.808 20 5 EFBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)nn1-c1cccc(Cl)c1 ZINC000347876092 142285738 /nfs/dbraw/zinc/28/57/38/142285738.db2.gz JHIZYUDWOBNADC-UHFFFAOYSA-N -1 1 345.746 2.745 20 5 EFBDMM Cc1sc(S(=O)(=O)[N-][C@@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000342531197 145143510 /nfs/dbraw/zinc/14/35/10/145143510.db2.gz QORFOQFOGWWUPI-YFKPBYRVSA-N -1 1 332.325 2.584 20 5 EFBDMM COC(=O)c1ccc([N+](=O)[O-])c([N-]c2cnn(CC(C)C)c2C)n1 ZINC000342540825 145145142 /nfs/dbraw/zinc/14/51/42/145145142.db2.gz JJBNOIXTLXVGFR-UHFFFAOYSA-N -1 1 333.348 2.681 20 5 EFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)c1 ZINC000351516509 146136682 /nfs/dbraw/zinc/13/66/82/146136682.db2.gz YCUIYDOHQYNLJZ-UHFFFAOYSA-N -1 1 346.368 2.889 20 5 EFBDMM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Br ZINC000352035093 146272562 /nfs/dbraw/zinc/27/25/62/146272562.db2.gz LYUIEAXZMHBMDN-UHFFFAOYSA-N -1 1 340.133 2.946 20 5 EFBDMM COC1CCC(C)(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000359791641 148190424 /nfs/dbraw/zinc/19/04/24/148190424.db2.gz NRYMEAJSNKAZCI-UHFFFAOYSA-N -1 1 348.446 2.530 20 5 EFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1(C(F)F)CC1 ZINC000359807524 148194799 /nfs/dbraw/zinc/19/47/99/148194799.db2.gz UNOJUFFSAOCSMV-UHFFFAOYSA-N -1 1 340.735 2.572 20 5 EFBDMM COc1ccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)cc1[N+](=O)[O-] ZINC000359826358 148199733 /nfs/dbraw/zinc/19/97/33/148199733.db2.gz AJVNGGFVDSDPCE-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1 ZINC000360031821 148255613 /nfs/dbraw/zinc/25/56/13/148255613.db2.gz QGQMNAFLNONSGF-UHFFFAOYSA-N -1 1 334.353 2.721 20 5 EFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(c2cccc(F)c2)CC1 ZINC000374044678 151274298 /nfs/dbraw/zinc/27/42/98/151274298.db2.gz UKDNYNVRCSXEIZ-UHFFFAOYSA-N -1 1 345.330 2.854 20 5 EFBDMM CCN(Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)C(=O)OC(C)(C)C ZINC000273801465 273119545 /nfs/dbraw/zinc/11/95/45/273119545.db2.gz HVBCFQWZWHYHLM-UHFFFAOYSA-N -1 1 337.336 2.730 20 5 EFBDMM O=C(N[C@H]1CCc2sc(Cl)cc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000356718208 274994773 /nfs/dbraw/zinc/99/47/73/274994773.db2.gz ZZHFYYBRQXZCOF-QMMMGPOBSA-N -1 1 339.760 2.828 20 5 EFBDMM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193602862 280016655 /nfs/dbraw/zinc/01/66/55/280016655.db2.gz UBISTHMQRGUMNO-GWCFXTLKSA-N -1 1 345.330 2.853 20 5 EFBDMM Cc1nc2c(s1)[C@H](N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CCC2 ZINC000188472766 282038339 /nfs/dbraw/zinc/03/83/39/282038339.db2.gz KHJMYFHMJFGBSL-LLVKDONJSA-N -1 1 348.384 2.610 20 5 EFBDMM CN1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000429695900 290047777 /nfs/dbraw/zinc/04/77/77/290047777.db2.gz IEJVBSIAPLQHMV-GOSISDBHSA-N -1 1 327.384 2.789 20 5 EFBDMM O=C(Nc1cccc([O-])c1F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000127292836 293064718 /nfs/dbraw/zinc/06/47/18/293064718.db2.gz OVZQMRRGNMILJH-UHFFFAOYSA-N -1 1 342.286 2.878 20 5 EFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)COC2 ZINC000132950257 293242603 /nfs/dbraw/zinc/24/26/03/293242603.db2.gz JYRIDYSEBJHPJU-UHFFFAOYSA-N -1 1 334.353 2.734 20 5 EFBDMM CC1CCC(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])CC2)CC1 ZINC000151995065 293312202 /nfs/dbraw/zinc/31/22/02/293312202.db2.gz YKMGPDIZPKZEPN-UHFFFAOYSA-N -1 1 347.415 2.637 20 5 EFBDMM CN(Cc1ccc(Cl)c(F)c1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000155985871 293495160 /nfs/dbraw/zinc/49/51/60/293495160.db2.gz SXTBQQRXFJSIRE-UHFFFAOYSA-N -1 1 339.710 2.760 20 5 EFBDMM O=C(NC[C@H]1CCCCC(F)(F)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000293739531 295038882 /nfs/dbraw/zinc/03/88/82/295038882.db2.gz VBSLYEYQIIQUPL-VIFPVBQESA-N -1 1 329.303 2.641 20 5 EFBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1C[C@@H]2CCCCN2c2ccccc21 ZINC000293947500 295085132 /nfs/dbraw/zinc/08/51/32/295085132.db2.gz ABKUKYKIUCESCU-LBPRGKRZSA-N -1 1 326.356 2.942 20 5 EFBDMM CC(=O)N(c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1)[C@@H]1C[C@H]1C ZINC000294092673 295109407 /nfs/dbraw/zinc/10/94/07/295109407.db2.gz IQXQZXYASXSAAX-MEBBXXQBSA-N -1 1 342.355 2.937 20 5 EFBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2F)c([N+](=O)[O-])c1 ZINC000180019036 310794097 /nfs/dbraw/zinc/79/40/97/310794097.db2.gz HKWPMGYNDVVCRO-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000298878660 311031139 /nfs/dbraw/zinc/03/11/39/311031139.db2.gz RFYQTUVGIICXRN-UHFFFAOYSA-N -1 1 330.344 2.704 20 5 EFBDMM C[C@@H]1CN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])[n-]2)C[C@@H](C)O1 ZINC000298978014 311039191 /nfs/dbraw/zinc/03/91/91/311039191.db2.gz MMUGRULALDJZCE-VXGBXAGGSA-N -1 1 344.371 2.789 20 5 EFBDMM COC(=O)c1ccc(OC(C)C)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000299383245 311079194 /nfs/dbraw/zinc/07/91/94/311079194.db2.gz ONLXIFOUBCWIJY-UHFFFAOYSA-N -1 1 347.327 2.749 20 5 EFBDMM CC(C)Oc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000302957967 311208822 /nfs/dbraw/zinc/20/88/22/311208822.db2.gz ODHBVFDYAQYOFV-LLVKDONJSA-N -1 1 345.355 2.974 20 5 EFBDMM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCN(CC2CCCCC2)CC1 ZINC000332103330 311455480 /nfs/dbraw/zinc/45/54/80/311455480.db2.gz GDQXRLXIYXLDFR-UHFFFAOYSA-N -1 1 347.415 2.639 20 5 EFBDMM CC(C)CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525176032 316194101 /nfs/dbraw/zinc/19/41/01/316194101.db2.gz GEDMPQDKABOFFY-OLZOCXBDSA-N -1 1 341.433 2.873 20 5 EFBDMM CC(C)(C)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525186017 316194759 /nfs/dbraw/zinc/19/47/59/316194759.db2.gz UBLZHDBJUJLKDE-NWDGAFQWSA-N -1 1 341.433 2.873 20 5 EFBDMM CC(C)(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Cc1ccccc1 ZINC000525189173 316195006 /nfs/dbraw/zinc/19/50/06/316195006.db2.gz FNIKINSBFSWQTE-UHFFFAOYSA-N -1 1 349.412 2.537 20 5 EFBDMM CC[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000525688616 316226598 /nfs/dbraw/zinc/22/65/98/316226598.db2.gz IPGPWLJXMILQPO-CYBMUJFWSA-N -1 1 335.385 2.728 20 5 EFBDMM CCCC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525689557 316226914 /nfs/dbraw/zinc/22/69/14/316226914.db2.gz JMOBAFOHWHDYSB-VXGBXAGGSA-N -1 1 327.406 2.627 20 5 EFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCC[C@H]1c1ccccc1 ZINC000525687713 316226962 /nfs/dbraw/zinc/22/69/62/316226962.db2.gz MVAPXZXEUZOLGD-KBPBESRZSA-N -1 1 347.396 2.604 20 5 EFBDMM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(n2cc(C(=O)[O-])cn2)CC1 ZINC000568099651 319247119 /nfs/dbraw/zinc/24/71/19/319247119.db2.gz QOVLXJLUQBTQPD-LBPRGKRZSA-N -1 1 344.371 2.888 20 5 EFBDMM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2c[nH]nc2[N+](=O)[O-])s1 ZINC000583885236 324890179 /nfs/dbraw/zinc/89/01/79/324890179.db2.gz GUXJPJGJOKTAIP-UHFFFAOYSA-N -1 1 348.319 2.536 20 5 EFBDMM COc1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1[N+](=O)[O-] ZINC000124357358 473236340 /nfs/dbraw/zinc/23/63/40/473236340.db2.gz OEIHDLKPOIQQER-UHFFFAOYSA-N -1 1 326.305 2.543 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000144538820 473286076 /nfs/dbraw/zinc/28/60/76/473286076.db2.gz BINYNRRABICWQC-UHFFFAOYSA-N -1 1 330.272 2.645 20 5 EFBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCO3)c(C)c1[N+](=O)[O-] ZINC000598711831 478985644 /nfs/dbraw/zinc/98/56/44/478985644.db2.gz HDIYELULNJCGFY-UHFFFAOYSA-N -1 1 348.380 2.947 20 5 EFBDMM CCCc1cc(=O)[n-]c(SCC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000005525610 471510056 /nfs/dbraw/zinc/51/00/56/471510056.db2.gz JHJIATAIKKHGSK-UHFFFAOYSA-N -1 1 333.369 2.606 20 5 EFBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000055554995 472203207 /nfs/dbraw/zinc/20/32/07/472203207.db2.gz GOMREAXLRARZGN-UHFFFAOYSA-N -1 1 344.295 2.682 20 5 EFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2nccnc2c1 ZINC000055632834 472214238 /nfs/dbraw/zinc/21/42/38/472214238.db2.gz AQYOYQLOUCMSMX-UHFFFAOYSA-N -1 1 344.352 2.647 20 5 EFBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3ccccc3)[nH]n2)c1 ZINC000086170955 472274293 /nfs/dbraw/zinc/27/42/93/472274293.db2.gz NQKOKWIWWIXUJP-UHFFFAOYSA-N -1 1 344.352 2.786 20 5 EFBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000031555831 472383217 /nfs/dbraw/zinc/38/32/17/472383217.db2.gz UJLWDPZJHDHZEX-UHFFFAOYSA-N -1 1 349.368 2.662 20 5 EFBDMM Cc1ccccc1OCCCN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000131415072 472669674 /nfs/dbraw/zinc/66/96/74/472669674.db2.gz JZYCECHRABPBBG-UHFFFAOYSA-N -1 1 345.355 2.545 20 5 EFBDMM CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092730257 472973776 /nfs/dbraw/zinc/97/37/76/472973776.db2.gz MBDPUCXDLQSCEG-KGLIPLIRSA-N -1 1 349.431 2.817 20 5 EFBDMM O=C([N-]c1nncs1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050296183 472989109 /nfs/dbraw/zinc/98/91/09/472989109.db2.gz IKNPEYXAPNTKBY-UHFFFAOYSA-N -1 1 333.354 2.822 20 5 EFBDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N(C)C)cc1[N+](=O)[O-] ZINC000109424271 473100277 /nfs/dbraw/zinc/10/02/77/473100277.db2.gz BEGIDIDXYSSVEM-UHFFFAOYSA-N -1 1 335.385 2.770 20 5 EFBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(C)C)n[nH]1 ZINC000160647650 473156345 /nfs/dbraw/zinc/15/63/45/473156345.db2.gz VJAUORXSQGIMKY-UHFFFAOYSA-N -1 1 338.389 2.805 20 5 EFBDMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])ccc12 ZINC000093909433 473161236 /nfs/dbraw/zinc/16/12/36/473161236.db2.gz WIIVNUGZYYOCKC-UHFFFAOYSA-N -1 1 346.368 2.889 20 5 EFBDMM CC[C@@](C)(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000185730846 473500301 /nfs/dbraw/zinc/50/03/01/473500301.db2.gz INCJFZXVYKCMEM-CQSZACIVSA-N -1 1 336.373 2.516 20 5 EFBDMM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185810669 473520651 /nfs/dbraw/zinc/52/06/51/473520651.db2.gz BTWIXOSQNHFMRW-PSLIRLAXSA-N -1 1 345.330 2.888 20 5 EFBDMM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])CO2 ZINC000152551103 473575922 /nfs/dbraw/zinc/57/59/22/473575922.db2.gz KPOGDDVYVHSJTD-CYBMUJFWSA-N -1 1 348.380 2.624 20 5 EFBDMM CC(C)c1ccc(OCCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000186952764 473786399 /nfs/dbraw/zinc/78/63/99/473786399.db2.gz ZRNHZQYIWCNNDB-UHFFFAOYSA-N -1 1 345.355 2.628 20 5 EFBDMM COc1cc2nc(-c3cc([N+](=O)[O-])ccc3C)[n-]c(=O)c2cc1OC ZINC000193907802 473820304 /nfs/dbraw/zinc/82/03/04/473820304.db2.gz TYDNQXFRFRUATF-UHFFFAOYSA-N -1 1 341.323 2.824 20 5 EFBDMM CCO[C@H]1C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C12CCCCC2 ZINC000187131593 473823316 /nfs/dbraw/zinc/82/33/16/473823316.db2.gz CAUZJLSKKAPMPN-KBPBESRZSA-N -1 1 349.387 2.553 20 5 EFBDMM COc1ccc([C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C(C)C)cc1 ZINC000187548486 473885046 /nfs/dbraw/zinc/88/50/46/473885046.db2.gz ZVGVEXZLRONMPX-HNNXBMFYSA-N -1 1 345.355 2.831 20 5 EFBDMM Cc1cc([N+](=O)[O-])ccc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000282048760 473929631 /nfs/dbraw/zinc/92/96/31/473929631.db2.gz ZHBIXYMDQJSGFS-UHFFFAOYSA-N -1 1 345.321 2.798 20 5 EFBDMM CC[C@@H](CSC)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000181616091 474052216 /nfs/dbraw/zinc/05/22/16/474052216.db2.gz NMULVLFMCXYXQM-QMMMGPOBSA-N -1 1 338.838 2.668 20 5 EFBDMM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000175622010 474266040 /nfs/dbraw/zinc/26/60/40/474266040.db2.gz ASIQUJJWGJKVKU-QMMMGPOBSA-N -1 1 345.377 2.538 20 5 EFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(OCC2CCCC2)CC1 ZINC000176443289 474476263 /nfs/dbraw/zinc/47/62/63/474476263.db2.gz ZOKBJTNUPCMIPA-UHFFFAOYSA-N -1 1 349.387 2.507 20 5 EFBDMM O=C([O-])CCCCCCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000238107232 474535914 /nfs/dbraw/zinc/53/59/14/474535914.db2.gz OIIPWPLEXUMFCD-UHFFFAOYSA-N -1 1 348.359 2.626 20 5 EFBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C)C3)cc1[N+](=O)[O-] ZINC000284106075 474574026 /nfs/dbraw/zinc/57/40/26/474574026.db2.gz OWWZKFDIEAELME-UHFFFAOYSA-N -1 1 347.396 2.649 20 5 EFBDMM O=C(NCCCCCc1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000340824017 474693169 /nfs/dbraw/zinc/69/31/69/474693169.db2.gz MRZNLIPIPLJSJF-UHFFFAOYSA-N -1 1 329.356 2.838 20 5 EFBDMM CC(C)n1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000273185785 474765941 /nfs/dbraw/zinc/76/59/41/474765941.db2.gz HUQULKWVBTVVBT-UHFFFAOYSA-N -1 1 344.780 2.826 20 5 EFBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(C(C)(C)C)n[nH]1 ZINC000322373052 474937715 /nfs/dbraw/zinc/93/77/15/474937715.db2.gz IIYPXMHIYFLYKQ-UHFFFAOYSA-N -1 1 338.389 2.725 20 5 EFBDMM Cc1cccc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)c1 ZINC000273547519 474957479 /nfs/dbraw/zinc/95/74/79/474957479.db2.gz UPWRZELWCDJHCZ-ZDUSSCGKSA-N -1 1 327.340 2.634 20 5 EFBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)c1C ZINC000268514288 475024659 /nfs/dbraw/zinc/02/46/59/475024659.db2.gz XNSOPOVBPVFQKI-UHFFFAOYSA-N -1 1 336.373 2.613 20 5 EFBDMM O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000352373382 475228512 /nfs/dbraw/zinc/22/85/12/475228512.db2.gz IESLASMUHBWRDD-LLVKDONJSA-N -1 1 348.334 2.905 20 5 EFBDMM CSc1ccccc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000337682374 475235546 /nfs/dbraw/zinc/23/55/46/475235546.db2.gz INGZQESSKDTAOO-SECBINFHSA-N -1 1 333.369 2.908 20 5 EFBDMM O=C(N[C@H]1CC[C@@H](c2ccccc2F)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000361346033 475374691 /nfs/dbraw/zinc/37/46/91/475374691.db2.gz LXJIDDPGFKRQIW-MNOVXSKESA-N -1 1 345.330 2.901 20 5 EFBDMM CC(F)(F)c1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000352555077 475408892 /nfs/dbraw/zinc/40/88/92/475408892.db2.gz IXEQJFNWUYYVJB-UHFFFAOYSA-N -1 1 337.282 2.737 20 5 EFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc2c1CCO2 ZINC000358492848 475721856 /nfs/dbraw/zinc/72/18/56/475721856.db2.gz MYPAGAWYURTICL-UHFFFAOYSA-N -1 1 334.353 2.639 20 5 EFBDMM Cc1ccc([C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000361919615 475867450 /nfs/dbraw/zinc/86/74/50/475867450.db2.gz SICZIXMGCXYEBG-OAHLLOKOSA-N -1 1 327.340 2.885 20 5 EFBDMM COc1cc(C(=O)Nc2cc(F)ccc2[O-])c([N+](=O)[O-])cc1OC ZINC000340328108 475948673 /nfs/dbraw/zinc/94/86/73/475948673.db2.gz BRBOCLWCZWDMLQ-UHFFFAOYSA-N -1 1 336.275 2.709 20 5 EFBDMM CCOC(=O)c1cc(C(=O)Nc2ccc(F)cc2[O-])cc([N+](=O)[O-])c1 ZINC000340330131 475951362 /nfs/dbraw/zinc/95/13/62/475951362.db2.gz REEMFYOZLRGHNJ-UHFFFAOYSA-N -1 1 348.286 2.869 20 5 EFBDMM CCN(CC)C(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000340422275 476025489 /nfs/dbraw/zinc/02/54/89/476025489.db2.gz SNRRBPSIOQVUNB-UHFFFAOYSA-N -1 1 330.344 2.657 20 5 EFBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OC)cc2[O-])c1 ZINC000338607672 476048883 /nfs/dbraw/zinc/04/88/83/476048883.db2.gz CRPNHUQGKQBUOW-UHFFFAOYSA-N -1 1 332.312 2.960 20 5 EFBDMM Cc1ccc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c(C)c1 ZINC000303387024 476233338 /nfs/dbraw/zinc/23/33/38/476233338.db2.gz XMDUWKSOXROHHV-LBPRGKRZSA-N -1 1 329.356 2.673 20 5 EFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(OCC(F)F)cn3)no2)[n-]1 ZINC000350613084 476266213 /nfs/dbraw/zinc/26/62/13/476266213.db2.gz VQJZTCCKBCQRFE-UHFFFAOYSA-N -1 1 337.242 2.679 20 5 EFBDMM CN(C)c1nc2cc(-c3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)ccc2o1 ZINC000357617017 476492504 /nfs/dbraw/zinc/49/25/04/476492504.db2.gz KXXHXZUNEFWFGB-UHFFFAOYSA-N -1 1 340.299 2.847 20 5 EFBDMM C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445007781 476731557 /nfs/dbraw/zinc/73/15/57/476731557.db2.gz KKYWMXQJXLUQGE-QMMMGPOBSA-N -1 1 349.293 2.733 20 5 EFBDMM Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000446985347 476941632 /nfs/dbraw/zinc/94/16/32/476941632.db2.gz TZYLWSYQNIOROR-UHFFFAOYSA-N -1 1 347.281 2.854 20 5 EFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1F ZINC000416586014 477229458 /nfs/dbraw/zinc/22/94/58/477229458.db2.gz GBUAFTDVFISPAV-NXEZZACHSA-N -1 1 336.772 2.807 20 5 EFBDMM O=[N+]([O-])c1ccc([O-])cc1CSc1nc(-c2ccccn2)n[nH]1 ZINC000436474254 477486340 /nfs/dbraw/zinc/48/63/40/477486340.db2.gz KGKKHTQRZOLBSY-UHFFFAOYSA-N -1 1 329.341 2.773 20 5 EFBDMM COC(=O)c1ccc([O-])c(NC(=O)Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000436503669 477497481 /nfs/dbraw/zinc/49/74/81/477497481.db2.gz ILKMTWOSDSVMGY-UHFFFAOYSA-N -1 1 344.323 2.577 20 5 EFBDMM CCC(=O)c1ccc(O)c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000436650865 477546221 /nfs/dbraw/zinc/54/62/21/477546221.db2.gz XXEHDSOZXSDYMK-UHFFFAOYSA-N -1 1 330.296 2.851 20 5 EFBDMM COc1cc(/C=C\c2nc(C(=O)[O-])c(C)s2)cc([N+](=O)[O-])c1O ZINC000436782553 477589686 /nfs/dbraw/zinc/58/96/86/477589686.db2.gz IWCRJNOEHFFGFG-ARJAWSKDSA-N -1 1 336.325 2.943 20 5 EFBDMM CCc1[nH]nc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000437002540 477661097 /nfs/dbraw/zinc/66/10/97/477661097.db2.gz YRJSKSABZSWUGR-UHFFFAOYSA-N -1 1 344.249 2.857 20 5 EFBDMM O=c1[n-]nc(C2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])CC2)o1 ZINC000450918298 477761816 /nfs/dbraw/zinc/76/18/16/477761816.db2.gz IDPOXZFKDPRLCW-UHFFFAOYSA-N -1 1 338.751 2.716 20 5 EFBDMM C/C(=C/c1ccccc1)CN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000428044972 477812295 /nfs/dbraw/zinc/81/22/95/477812295.db2.gz WNWFLJCWAUUUEK-WQLSENKSSA-N -1 1 327.340 2.871 20 5 EFBDMM O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000438469740 477846573 /nfs/dbraw/zinc/84/65/73/477846573.db2.gz XCGKUPFKPOYMCO-UMSPYCQHSA-N -1 1 331.303 2.511 20 5 EFBDMM O=C1OCCN1c1cccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000495437614 478197414 /nfs/dbraw/zinc/19/74/14/478197414.db2.gz HKSIJBNTIKHYDJ-UHFFFAOYSA-N -1 1 341.283 2.597 20 5 EFBDMM CC/C=C/C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000451777816 478199975 /nfs/dbraw/zinc/19/99/75/478199975.db2.gz RYHARHQLCVAQLX-ONEGZZNKSA-N -1 1 349.206 2.602 20 5 EFBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000562551721 478267293 /nfs/dbraw/zinc/26/72/93/478267293.db2.gz SIZMZIKFXMOUGE-NSHDSACASA-N -1 1 347.396 2.907 20 5 EFBDMM CC[C@H](CCc1ccccc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600252656 478311426 /nfs/dbraw/zinc/31/14/26/478311426.db2.gz LCXOUYFAAFKECH-CQSZACIVSA-N -1 1 329.356 2.837 20 5 EFBDMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000600674203 478462860 /nfs/dbraw/zinc/46/28/60/478462860.db2.gz DWVICEHAPHXKCB-UWVGGRQHSA-N -1 1 332.360 2.545 20 5 EFBDMM O=C([O-])c1cnc(NC[C@@H](c2ccco2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000563207567 478482597 /nfs/dbraw/zinc/48/25/97/478482597.db2.gz XRMCTVCNINGCOL-ZDUSSCGKSA-N -1 1 346.343 2.530 20 5 EFBDMM C[C@H](CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1)C(=O)[O-] ZINC000582009050 478489854 /nfs/dbraw/zinc/48/98/54/478489854.db2.gz OTTQPHCROQZUKT-LLVKDONJSA-N -1 1 345.355 2.935 20 5 EFBDMM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000571941401 478711609 /nfs/dbraw/zinc/71/16/09/478711609.db2.gz INBRLZFWZDJYRN-SCVCMEIPSA-N -1 1 332.360 2.545 20 5 EFBDMM Cc1cc(S(=O)(=O)[N-]CCCC(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000601362808 478803606 /nfs/dbraw/zinc/80/36/06/478803606.db2.gz XBDVMRBSJJWXFY-UHFFFAOYSA-N -1 1 344.286 2.663 20 5 EFBDMM CC[C@@H]1CN(CC)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565023441 478888279 /nfs/dbraw/zinc/88/82/79/478888279.db2.gz COROSQVAMJGGCI-LLVKDONJSA-N -1 1 341.795 2.510 20 5 EFBDMM CC[C@H]1CN(CC)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565023446 478888584 /nfs/dbraw/zinc/88/85/84/478888584.db2.gz COROSQVAMJGGCI-NSHDSACASA-N -1 1 341.795 2.510 20 5 EFBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000583993985 478988619 /nfs/dbraw/zinc/98/86/19/478988619.db2.gz HDMNYWCIJLYAOT-WFASDCNBSA-N -1 1 336.388 2.925 20 5 EFBDMM CCCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCN(C)C1 ZINC000592829600 479063217 /nfs/dbraw/zinc/06/32/17/479063217.db2.gz RLWUAGYFPYJGBI-NSHDSACASA-N -1 1 341.795 2.510 20 5 EFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC(F)(F)C1 ZINC000610785232 479187396 /nfs/dbraw/zinc/18/73/96/479187396.db2.gz AFYSMZOBOZSUGT-MRVPVSSYSA-N -1 1 340.735 2.714 20 5 EFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc2sccc2c1 ZINC000574203534 479241101 /nfs/dbraw/zinc/24/11/01/479241101.db2.gz ZQUOIEQDRXOONC-UHFFFAOYSA-N -1 1 349.393 2.683 20 5 EFBDMM CCCC[C@@H](CCC)C[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000611106791 479283595 /nfs/dbraw/zinc/28/35/95/479283595.db2.gz KRXOSZQSLDOKGW-GFCCVEGCSA-N -1 1 346.453 2.696 20 5 EFBDMM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C ZINC000603416698 479379094 /nfs/dbraw/zinc/37/90/94/479379094.db2.gz WSTMLWRIKRNPOY-UONOGXRCSA-N -1 1 328.390 2.603 20 5 EFBDMM C[C@@H](CN(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1nccs1 ZINC000593737251 479438975 /nfs/dbraw/zinc/43/89/75/479438975.db2.gz HDZUULVMRBVPJG-JTQLQIEISA-N -1 1 335.385 2.985 20 5 EFBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000593747884 479444612 /nfs/dbraw/zinc/44/46/12/479444612.db2.gz FAOBXSHCYXZEKF-WFASDCNBSA-N -1 1 336.388 2.925 20 5 EFBDMM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000603958683 479457607 /nfs/dbraw/zinc/45/76/07/479457607.db2.gz JRJNQQPKQWMSMC-ZYHUDNBSSA-N -1 1 336.369 2.790 20 5 EFBDMM Cc1occc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000604306848 479498726 /nfs/dbraw/zinc/49/87/26/479498726.db2.gz JGHQGWBAEXNFSI-UHFFFAOYSA-N -1 1 330.749 2.628 20 5 EFBDMM Cc1sc(S(=O)(=O)[N-]C(C)(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000614856908 479529232 /nfs/dbraw/zinc/52/92/32/479529232.db2.gz RVOXMDQDIHSBQK-UHFFFAOYSA-N -1 1 346.352 2.974 20 5 EFBDMM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000614856587 479529779 /nfs/dbraw/zinc/52/97/79/479529779.db2.gz FQNZTTFILZUASF-UHFFFAOYSA-N -1 1 344.286 2.743 20 5 EFBDMM O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000612544477 479689634 /nfs/dbraw/zinc/68/96/34/479689634.db2.gz GMYLJFSZLCDGAJ-UHFFFAOYSA-N -1 1 346.730 2.760 20 5 EFBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000619466327 479802340 /nfs/dbraw/zinc/80/23/40/479802340.db2.gz OREXMLDOMJYPDN-UHFFFAOYSA-N -1 1 344.295 2.682 20 5 EFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(c2ccccc2F)CC1 ZINC000609927382 480223381 /nfs/dbraw/zinc/22/33/81/480223381.db2.gz VJWCSCHTOQIBFM-UHFFFAOYSA-N -1 1 345.330 2.854 20 5 EFBDMM CC(C)[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000610260873 480263531 /nfs/dbraw/zinc/26/35/31/480263531.db2.gz XGAZSUUFONTUQV-AWEZNQCLSA-N -1 1 349.412 2.708 20 5 EFBDMM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c(C)c1 ZINC000610263302 480264607 /nfs/dbraw/zinc/26/46/07/480264607.db2.gz UFBMAMFVNRVSDX-ZDUSSCGKSA-N -1 1 349.412 2.516 20 5 EFBDMM Cc1ccc(CCCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C)c1 ZINC000618341052 480625230 /nfs/dbraw/zinc/62/52/30/480625230.db2.gz KGRCYPNNPKXYOB-UHFFFAOYSA-N -1 1 329.356 2.675 20 5 EFBDMM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000181042026 521598016 /nfs/dbraw/zinc/59/80/16/521598016.db2.gz MDGOUFXCMLJTHD-UHFFFAOYSA-N -1 1 339.329 2.636 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1c1cccc(F)c1 ZINC000186988583 534767464 /nfs/dbraw/zinc/76/74/64/534767464.db2.gz AUSHEBGBGVQJHN-ZDUSSCGKSA-N -1 1 331.303 2.812 20 5 EFBDMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000151881850 524625642 /nfs/dbraw/zinc/62/56/42/524625642.db2.gz AFQGXEJNLRPNMR-UHFFFAOYSA-N -1 1 336.369 2.505 20 5 EFBDMM COc1ccccc1[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193536772 524753353 /nfs/dbraw/zinc/75/33/53/524753353.db2.gz QIMRTYUAZFMGDX-ZDUSSCGKSA-N -1 1 343.339 2.681 20 5 EFBDMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000181328525 524982596 /nfs/dbraw/zinc/98/25/96/524982596.db2.gz OESPZSLGUCSKFN-JTQLQIEISA-N -1 1 334.353 2.719 20 5 EFBDMM CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Nc1ccccc1 ZINC000349221057 535012694 /nfs/dbraw/zinc/01/26/94/535012694.db2.gz CUQKJORXGFTRBX-HNNXBMFYSA-N -1 1 344.371 2.562 20 5 EFBDMM CC(C)Oc1cccc(CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000193754171 535036650 /nfs/dbraw/zinc/03/66/50/535036650.db2.gz OFEBTGFWAXDQGN-UHFFFAOYSA-N -1 1 345.355 2.755 20 5 EFBDMM COc1cccc(C(=O)[N-]c2nnc(C(F)F)s2)c1[N+](=O)[O-] ZINC000194144889 537088631 /nfs/dbraw/zinc/08/86/31/537088631.db2.gz CUBAEYYGISKWRL-UHFFFAOYSA-N -1 1 330.272 2.645 20 5 EFBDMM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)[N-]n1ccccc1=O ZINC000758550470 575872434 /nfs/dbraw/zinc/87/24/34/575872434.db2.gz RZYZMHFXGJODHP-UHFFFAOYSA-N -1 1 333.369 2.641 20 5 EFBDMM COc1cc(COC(=O)c2ccc([O-])cc2F)c([N+](=O)[O-])cc1F ZINC000766221112 577123467 /nfs/dbraw/zinc/12/34/67/577123467.db2.gz IVLVXEIKHIWORG-UHFFFAOYSA-N -1 1 339.250 2.944 20 5 EFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CC=CCC1 ZINC000725828415 577238277 /nfs/dbraw/zinc/23/82/77/577238277.db2.gz FDCHUYIZQCMEEP-SNVBAGLBSA-N -1 1 330.793 2.883 20 5 EFBDMM CCOc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768814714 577305273 /nfs/dbraw/zinc/30/52/73/577305273.db2.gz WXRVLCLLBJBBAJ-UHFFFAOYSA-N -1 1 342.398 2.534 20 5 EFBDMM Cc1cccc2c1CC[C@@H]2[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768832195 577307332 /nfs/dbraw/zinc/30/73/32/577307332.db2.gz DRYTWSWNROQESY-ZDUSSCGKSA-N -1 1 338.410 2.931 20 5 EFBDMM Cc1ccc(C)c(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000769047512 577327720 /nfs/dbraw/zinc/32/77/20/577327720.db2.gz JQIRWAOTXLJFGI-UHFFFAOYSA-N -1 1 329.308 2.957 20 5 EFBDMM CCOc1ccc(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000769048960 577327908 /nfs/dbraw/zinc/32/79/08/577327908.db2.gz UIMNUMYNNJZMAT-UHFFFAOYSA-N -1 1 345.307 2.739 20 5 EFBDMM COc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1F ZINC000769889226 577391639 /nfs/dbraw/zinc/39/16/39/577391639.db2.gz GEAUCKUBAJLWBV-UHFFFAOYSA-N -1 1 326.305 2.543 20 5 EFBDMM O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc([O-])cc1F ZINC000773563343 581445740 /nfs/dbraw/zinc/44/57/40/581445740.db2.gz AKQNFAHUBJHJSL-UHFFFAOYSA-N -1 1 332.243 2.938 20 5 EFBDMM COc1ccc(C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)c([O-])c1 ZINC000773991852 581477415 /nfs/dbraw/zinc/47/74/15/581477415.db2.gz ZIJBFFXFKJBZSK-UHFFFAOYSA-N -1 1 328.324 2.820 20 5 EFBDMM C[C@H](OC(=O)c1sccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000736164882 599026539 /nfs/dbraw/zinc/02/65/39/599026539.db2.gz QLZDXZGLWFPAPD-QMMMGPOBSA-N -1 1 345.340 2.754 20 5 EFBDMM Cc1ccc(OCCNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cc1 ZINC000826292057 607450752 /nfs/dbraw/zinc/45/07/52/607450752.db2.gz GMLODSDDPBBTHO-UHFFFAOYSA-N -1 1 340.343 2.574 20 5 EFBDMM Cc1ccc(OCCNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cc1 ZINC000826292057 607450754 /nfs/dbraw/zinc/45/07/54/607450754.db2.gz GMLODSDDPBBTHO-UHFFFAOYSA-N -1 1 340.343 2.574 20 5 EFBDMM C[C@H](NCc1cccc(OCC(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000827741822 600864283 /nfs/dbraw/zinc/86/42/83/600864283.db2.gz UIXVBDFDWDHMQL-LBPRGKRZSA-N -1 1 330.340 2.909 20 5 EFBDMM COc1cc(OC)cc([C@H](NCc2cccc([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000832056729 602170065 /nfs/dbraw/zinc/17/00/65/602170065.db2.gz IFNNPRCATAALNP-INIZCTEOSA-N -1 1 346.339 2.528 20 5 EFBDMM Cc1ccc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000832932556 604466565 /nfs/dbraw/zinc/46/65/65/604466565.db2.gz OYFRXSSHEYAVCL-QGZVFWFLSA-N -1 1 326.352 2.915 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc(F)cc1Cl ZINC000823629949 607162084 /nfs/dbraw/zinc/16/20/84/607162084.db2.gz NECFOBKYHQECTD-UHFFFAOYSA-N -1 1 336.670 2.755 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1ccc(F)cc1Cl ZINC000823629949 607162085 /nfs/dbraw/zinc/16/20/85/607162085.db2.gz NECFOBKYHQECTD-UHFFFAOYSA-N -1 1 336.670 2.755 20 5 EFBDMM Cc1ccccc1[C@H](C)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822345677 607166113 /nfs/dbraw/zinc/16/61/13/607166113.db2.gz OTHVXIABPLEVKH-JTQLQIEISA-N -1 1 325.332 2.651 20 5 EFBDMM Cc1ccccc1[C@H](C)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822345677 607166115 /nfs/dbraw/zinc/16/61/15/607166115.db2.gz OTHVXIABPLEVKH-JTQLQIEISA-N -1 1 325.332 2.651 20 5 EFBDMM O=[N+]([O-])c1ccc([N-]c2cnn(-c3ccccn3)c2)c([N+](=O)[O-])c1 ZINC000739898712 1268773835 /nfs/dbraw/zinc/77/38/35/1268773835.db2.gz BKDUPORZZPXRFL-UHFFFAOYSA-N -1 1 326.272 2.827 20 5 EFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000742320674 1270000092 /nfs/dbraw/zinc/00/00/92/1270000092.db2.gz YRLGKHPEIGFZNN-SDDRHHMPSA-N -1 1 342.392 2.981 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(NCCCN(C)C(=O)c2ncccc2[O-])c1 ZINC001109436840 1274273412 /nfs/dbraw/zinc/27/34/12/1274273412.db2.gz LIGJCFVFXXJYBK-UHFFFAOYSA-N -1 1 344.371 2.578 20 5 EFBDMM Cc1cc(NCCCN(C)C(=O)c2ncccc2[O-])ccc1[N+](=O)[O-] ZINC001109436880 1274273731 /nfs/dbraw/zinc/27/37/31/1274273731.db2.gz NGSLABSTADXIIY-UHFFFAOYSA-N -1 1 344.371 2.578 20 5 EFBDMM O=c1nc2nc[nH]c2c(Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)[n-]1 ZINC001170233200 1278919870 /nfs/dbraw/zinc/91/98/70/1278919870.db2.gz LJEPSILJEPPHTF-UHFFFAOYSA-N -1 1 340.221 2.729 20 5 EFBDMM CC(C)([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000815018368 1287251123 /nfs/dbraw/zinc/25/11/23/1287251123.db2.gz OBNIMJIULHKUHD-UHFFFAOYSA-N -1 1 336.772 2.854 20 5 EFBDMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000814999899 1287257297 /nfs/dbraw/zinc/25/72/97/1287257297.db2.gz QCVSJDZGAPTSHY-SSDOTTSWSA-N -1 1 336.772 2.712 20 5 EFBDMM Cc1nc(SCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[n-]c(=O)c1C ZINC000789967356 1277127651 /nfs/dbraw/zinc/12/76/51/1277127651.db2.gz QHDJXFSHVJQBOF-UHFFFAOYSA-N -1 1 336.329 2.908 20 5 EFBDMM CC(C)c1ncc(S(=O)(=O)Oc2ccc(Cl)c([N+](=O)[O-])c2)[n-]1 ZINC000808350315 1281667345 /nfs/dbraw/zinc/66/73/45/1281667345.db2.gz NBQRXHKDMCAJTR-UHFFFAOYSA-N -1 1 345.764 2.862 20 5 EFBDMM CC(C)c1nc(S(=O)(=O)Oc2ccc(Cl)c([N+](=O)[O-])c2)c[n-]1 ZINC000808350315 1281667361 /nfs/dbraw/zinc/66/73/61/1281667361.db2.gz NBQRXHKDMCAJTR-UHFFFAOYSA-N -1 1 345.764 2.862 20 5 EFBDMM C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000829985004 1281905439 /nfs/dbraw/zinc/90/54/39/1281905439.db2.gz DTOURIHQRBVQTQ-RQJHMYQMSA-N -1 1 339.200 2.836 20 5 EFBDMM CC(C)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000809385977 1282190538 /nfs/dbraw/zinc/19/05/38/1282190538.db2.gz VPBCDERARNFBJQ-UHFFFAOYSA-N -1 1 327.189 2.836 20 5 EFBDMM O=C([N-]C[C@H]1CCCN(c2ccc([N+](=O)[O-])s2)C1)C(F)(F)F ZINC000811856662 1284695773 /nfs/dbraw/zinc/69/57/73/1284695773.db2.gz SQJJFOOLRNJRIO-MRVPVSSYSA-N -1 1 337.323 2.551 20 5 EFBDMM Cc1cccc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000811857146 1284697804 /nfs/dbraw/zinc/69/78/04/1284697804.db2.gz YABCFLPPVDDYIU-NSHDSACASA-N -1 1 345.321 2.798 20 5 EFBDMM CN(Cc1c2ccccc2cc2ccccc21)C(=O)Cc1nn[n-]n1 ZINC001176841178 1288146398 /nfs/dbraw/zinc/14/63/98/1288146398.db2.gz SQMXPINBJGJAEE-UHFFFAOYSA-N -1 1 331.379 2.707 20 5 EFBDMM CCOCCS(=O)(=O)[N-]c1cc2cccnc2c2ncccc12 ZINC001187286149 1291137931 /nfs/dbraw/zinc/13/79/31/1291137931.db2.gz CWNCHTPSXIAQGC-UHFFFAOYSA-N -1 1 331.397 2.561 20 5 EFBDMM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccc[nH]1 ZINC000795896168 1291657651 /nfs/dbraw/zinc/65/76/51/1291657651.db2.gz NRVADTZQZUJSIW-SSDOTTSWSA-N -1 1 347.755 2.755 20 5 EFBDMM C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879766209 1292263418 /nfs/dbraw/zinc/26/34/18/1292263418.db2.gz VUAIBFUCHNMOFK-IINYFYTJSA-N -1 1 345.321 2.799 20 5 EFBDMM COC[C@@H](C)OC[C@@H](C)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233505771 1312947072 /nfs/dbraw/zinc/94/70/72/1312947072.db2.gz GFWVNYGGWUNNED-RKDXNWHRSA-N -1 1 343.767 2.943 20 5 EFBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000132259236 1293642816 /nfs/dbraw/zinc/64/28/16/1293642816.db2.gz NVPAMABJANSBKC-UHFFFAOYSA-N -1 1 328.296 2.982 20 5 EFBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000800052275 1293896353 /nfs/dbraw/zinc/89/63/53/1293896353.db2.gz ODNYXXNRVQNSTN-UHFFFAOYSA-N -1 1 345.739 2.892 20 5 EFBDMM O=C(Nc1cc2cccnc2c2ncccc12)c1c[nH]c(=S)[n-]c1=O ZINC001196019792 1294108486 /nfs/dbraw/zinc/10/84/86/1294108486.db2.gz DPXPBEOFZLIJEW-UHFFFAOYSA-N -1 1 349.375 2.820 20 5 EFBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(O[C@H]3CCOC[C@@H]3F)c12 ZINC001234743539 1313187819 /nfs/dbraw/zinc/18/78/19/1313187819.db2.gz OGDYJBUZCKGWGQ-AAEUAGOBSA-N -1 1 346.310 2.863 20 5 EFBDMM O=c1c2cc(O)ccc2oc2cc([O-])cc(OC[C@@H]3CCCO3)c12 ZINC001234743281 1313188286 /nfs/dbraw/zinc/18/82/86/1313188286.db2.gz BGYRLPMXQNHNID-LBPRGKRZSA-N -1 1 328.320 2.915 20 5 EFBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(OC3CCOCC3)c12 ZINC001234747187 1313188579 /nfs/dbraw/zinc/18/85/79/1313188579.db2.gz IKKVVBPEYPSHAQ-UHFFFAOYSA-N -1 1 328.320 2.915 20 5 EFBDMM COc1c(O)ccc2c(=O)c3c(OC[C@@H]4CCO4)cc([O-])cc3oc21 ZINC001234750336 1313189115 /nfs/dbraw/zinc/18/91/15/1313189115.db2.gz XVPYPQBZNQINHH-JTQLQIEISA-N -1 1 344.319 2.534 20 5 EFBDMM O=c1c2ccc(O)c(OC3CCOCC3)c2oc2cc([O-])cc(O)c12 ZINC001234752731 1313189521 /nfs/dbraw/zinc/18/95/21/1313189521.db2.gz IUKHZWIMSFAPMD-UHFFFAOYSA-N -1 1 344.319 2.621 20 5 EFBDMM C[C@H]1OCC[C@H]1COc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234880554 1313202589 /nfs/dbraw/zinc/20/25/89/1313202589.db2.gz DMHGAMKZTNFKIM-SFYZADRCSA-N -1 1 332.150 2.867 20 5 EFBDMM C[C@@H](Oc1c([O-])cc(Br)cc1[N+](=O)[O-])c1cnccn1 ZINC001234875854 1313201865 /nfs/dbraw/zinc/20/18/65/1313201865.db2.gz WBRBOCGTMFVIQF-SSDOTTSWSA-N -1 1 340.133 2.993 20 5 EFBDMM O=[N+]([O-])c1cc(Br)cc([O-])c1O[C@H]1CCn2ccnc21 ZINC001234881612 1313203094 /nfs/dbraw/zinc/20/30/94/1313203094.db2.gz QKRQVTGDQSXXJA-JTQLQIEISA-N -1 1 340.133 2.783 20 5 EFBDMM Nc1ccc2c(c1)c(Br)nn2-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001201222561 1296668892 /nfs/dbraw/zinc/66/88/92/1296668892.db2.gz OSSWRFIBVZCRKD-UHFFFAOYSA-N -1 1 349.144 2.984 20 5 EFBDMM Cc1cc(N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000853986831 1300377521 /nfs/dbraw/zinc/37/75/21/1300377521.db2.gz USQFRLMRIWRTSI-SKDRFNHKSA-N -1 1 345.321 2.797 20 5 EFBDMM Cc1ccc(N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000853986620 1300377597 /nfs/dbraw/zinc/37/75/97/1300377597.db2.gz PAGKZXUJCYJHFA-MNOVXSKESA-N -1 1 345.321 2.797 20 5 EFBDMM O=C(OCCN1CCc2ccccc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000795477940 1302156067 /nfs/dbraw/zinc/15/60/67/1302156067.db2.gz ZUSHVWQMEJLQGN-UHFFFAOYSA-N -1 1 328.324 2.520 20 5 EFBDMM Nc1c(Br)cc2ccnc-2n1-c1ccc([O-])c([N+](=O)[O-])c1 ZINC001210395891 1314325614 /nfs/dbraw/zinc/32/56/14/1314325614.db2.gz HVUAYTXMKAZFDQ-UHFFFAOYSA-N -1 1 349.144 2.936 20 5 EFBDMM CCOC(=O)c1cn2cc(Nc3ccc([O-])c([N+](=O)[O-])c3)ccc2n1 ZINC001210392877 1314325626 /nfs/dbraw/zinc/32/56/26/1314325626.db2.gz LFWHOBQPVUPGHA-UHFFFAOYSA-N -1 1 342.311 2.868 20 5 EFBDMM Nc1ccc(N(c2ccc([O-])c([N+](=O)[O-])c2)[C@H]2CC[C@H](O)CC2)nc1 ZINC001210395900 1314325814 /nfs/dbraw/zinc/32/58/14/1314325814.db2.gz IHMQPAKIBCCBAN-MQMHXKEQSA-N -1 1 344.371 2.719 20 5 EFBDMM Nc1cn(-c2ccc([O-])c([N+](=O)[O-])c2)c2ncc(Br)cc12 ZINC001210393971 1314325847 /nfs/dbraw/zinc/32/58/47/1314325847.db2.gz KWWHNVHXFMLDCN-UHFFFAOYSA-N -1 1 349.144 2.984 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071011 1311049690 /nfs/dbraw/zinc/04/96/90/1311049690.db2.gz BRTREKJAIOKYMY-UHFFFAOYSA-N -1 1 348.267 2.574 20 5 EFBDMM COC[C@]1(C(=O)[O-])CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000901866123 1311133743 /nfs/dbraw/zinc/13/37/43/1311133743.db2.gz URBWGCFPPXDBLQ-HNNXBMFYSA-N -1 1 342.779 2.561 20 5 EFBDMM CCCCOC[C@H](C)OC[C@@H](C)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225664103 1311562211 /nfs/dbraw/zinc/56/22/11/1311562211.db2.gz JQFHQTZWKUQNQD-NWDGAFQWSA-N -1 1 328.365 2.685 20 5 EFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1CC2CCC1CC2 ZINC001226310136 1311646088 /nfs/dbraw/zinc/64/60/88/1311646088.db2.gz NCZUGFOVNMZUAO-RTYFJBAXSA-N -1 1 336.344 2.830 20 5 EFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](C)Cc1ccccc1 ZINC001226310173 1311646132 /nfs/dbraw/zinc/64/61/32/1311646132.db2.gz NLMPXNWJXYNWPY-NSHDSACASA-N -1 1 346.339 2.882 20 5 EFBDMM C[C@H](Oc1[n-]c(=O)ncc1Br)c1ccccc1[N+](=O)[O-] ZINC001227138224 1311767386 /nfs/dbraw/zinc/76/73/86/1311767386.db2.gz OVDOUHDMHNYREE-ZETCQYMHSA-N -1 1 340.133 2.993 20 5 EFBDMM CCOC(=O)[C@H](C)Oc1cc2c(cc1[O-])oc1cccc(O)c1c2=O ZINC001227306743 1311791551 /nfs/dbraw/zinc/79/15/51/1311791551.db2.gz MSCNEVRRJMPIGD-VIFPVBQESA-N -1 1 344.319 2.688 20 5 EFBDMM C[C@H]1COC[C@@H]1Oc1cc2c(cc1[O-])oc1cccc(O)c1c2=O ZINC001227305906 1311791699 /nfs/dbraw/zinc/79/16/99/1311791699.db2.gz BVNJCEMPHWESTR-FVMDXXJSSA-N -1 1 328.320 2.771 20 5 EFBDMM COC(=O)C[C@@H](C)Oc1cc2c(cc1[O-])oc1cccc(O)c1c2=O ZINC001227306403 1311791742 /nfs/dbraw/zinc/79/17/42/1311791742.db2.gz JRSQRAQLDVWEFR-SECBINFHSA-N -1 1 344.319 2.688 20 5 EFBDMM O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1cc(Cl)c([O-])cc1Cl)C2 ZINC001227644991 1311835982 /nfs/dbraw/zinc/83/59/82/1311835982.db2.gz FUOOAXRLPAOYSY-LURJTMIESA-N -1 1 346.126 2.644 20 5 EFBDMM O=c1[n-]cnc(O[C@@H](c2ccccc2)C2CCOCC2)c1[N+](=O)[O-] ZINC001228140300 1311906073 /nfs/dbraw/zinc/90/60/73/1311906073.db2.gz HDHCDLXBCLKLNH-AWEZNQCLSA-N -1 1 331.328 2.637 20 5 EFBDMM O=c1[n-]cnc(OC2CCC(OCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC001228140762 1311906503 /nfs/dbraw/zinc/90/65/03/1311906503.db2.gz MYQWBLZZXCWFLK-UHFFFAOYSA-N -1 1 345.355 2.997 20 5 EFBDMM CCC(=O)c1c(O)cc([O-])cc1O[C@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001228554873 1311964378 /nfs/dbraw/zinc/96/43/78/1311964378.db2.gz NEGWJADBOAFWAB-SECBINFHSA-N -1 1 349.343 2.571 20 5 EFBDMM CCc1c(C)nc2n(c1=O)CCC[C@H]2Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229396819 1312088790 /nfs/dbraw/zinc/08/87/90/1312088790.db2.gz ZIQFDAXAYVHGCV-CQSZACIVSA-N -1 1 345.355 2.642 20 5 EFBDMM CCc1c(C)nc2n(c1=O)CCC[C@@H]2Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229396817 1312088846 /nfs/dbraw/zinc/08/88/46/1312088846.db2.gz ZIQFDAXAYVHGCV-AWEZNQCLSA-N -1 1 345.355 2.642 20 5 EFBDMM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229398186 1312089125 /nfs/dbraw/zinc/08/91/25/1312089125.db2.gz RBLRIOHDQAOBCY-QMTHXVAHSA-N -1 1 338.360 2.935 20 5 EFBDMM Cc1cc([O-])c(O[C@H]2CN(C(=O)OC(C)(C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC001229754139 1312133310 /nfs/dbraw/zinc/13/33/10/1312133310.db2.gz NFBCIPGPOXFRPC-HZMBPMFUSA-N -1 1 338.360 2.995 20 5 EFBDMM COC(=O)c1ncc2n1CCC[C@@H]2Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229754145 1312133339 /nfs/dbraw/zinc/13/33/39/1312133339.db2.gz NLIWKTDDKIDDQQ-ZDUSSCGKSA-N -1 1 347.327 2.506 20 5 EFBDMM CCOC(=O)[C@@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC001231260231 1312465927 /nfs/dbraw/zinc/46/59/27/1312465927.db2.gz SVOPKBCQIFUPBW-AWEZNQCLSA-N -1 1 332.312 2.687 20 5 EFBDMM CCCCOC[C@H](C)OC[C@@H](C)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231263056 1312466505 /nfs/dbraw/zinc/46/65/05/1312466505.db2.gz IBLRVGFMMUPQAI-QWHCGFSZSA-N -1 1 342.392 2.993 20 5 EFBDMM Cc1ccc(N2CCC[C@H](Oc3nc(C)cc([O-])c3[N+](=O)[O-])C2)nc1 ZINC001231261531 1312466620 /nfs/dbraw/zinc/46/66/20/1312466620.db2.gz BNUPYERTOYUSPN-ZDUSSCGKSA-N -1 1 344.371 2.755 20 5 EFBDMM COc1ccccc1OC[C@@H](C)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231263820 1312467080 /nfs/dbraw/zinc/46/70/80/1312467080.db2.gz MHPGSTCYDDCYHH-LLVKDONJSA-N -1 1 334.328 2.859 20 5 EFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)c2cc(Br)no2)n1 ZINC001231263337 1312467372 /nfs/dbraw/zinc/46/73/72/1312467372.db2.gz JBAGRWJJZPDMOK-ZCFIWIBFSA-N -1 1 344.121 2.894 20 5 EFBDMM Cc1cc([O-])c([N+](=O)[O-])c(OCc2cnc(F)c(OC(C)C)c2)n1 ZINC001231265067 1312467760 /nfs/dbraw/zinc/46/77/60/1312467760.db2.gz WNWVOLXCCGPHFA-UHFFFAOYSA-N -1 1 337.307 2.904 20 5 EFBDMM CC(C)(C)c1ccc(NCC[N-]C(=O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001164246140 1312477684 /nfs/dbraw/zinc/47/76/84/1312477684.db2.gz PQMIPUSGAKTXPR-UHFFFAOYSA-N -1 1 333.310 2.983 20 5 EFBDMM Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1Cl ZINC001211193043 1314450493 /nfs/dbraw/zinc/45/04/93/1314450493.db2.gz WFQOSWIWOACEBX-UHFFFAOYSA-N -1 1 345.739 2.770 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1[N-]c1nonc1-c1cn2ccncc2n1 ZINC001211287678 1314469945 /nfs/dbraw/zinc/46/99/45/1314469945.db2.gz SEIAAOSBYNVVOS-UHFFFAOYSA-N -1 1 337.299 2.740 20 5 EFBDMM C[NH+](C)Cc1ccc2nc(-c3cc([N+](=O)[O-])c([O-])cc3[O-])[nH]c2c1 ZINC001251086390 1315320584 /nfs/dbraw/zinc/32/05/84/1315320584.db2.gz AVJXYMVCACHPDV-UHFFFAOYSA-N -1 1 328.328 2.611 20 5 EFBDMM Cn1c2cc3nc[nH]c(=O)c3cc2nc1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001251389384 1315345711 /nfs/dbraw/zinc/34/57/11/1315345711.db2.gz JEEYIRFNESVAHD-UHFFFAOYSA-N -1 1 337.295 2.503 20 5 EFBDMM COc1ccccc1C1(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCC1 ZINC001322054530 1329425410 /nfs/dbraw/zinc/42/54/10/1329425410.db2.gz GSFVAYAUGYBVOK-UHFFFAOYSA-N -1 1 343.339 2.513 20 5 EFBDMM COc1ccc(C(=O)[C@@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001325064741 1329668729 /nfs/dbraw/zinc/66/87/29/1329668729.db2.gz MHJQIKILYMQRQJ-SNVBAGLBSA-N -1 1 345.307 2.737 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCS[C@H]2CCCC[C@@H]21 ZINC000823629830 1427674327 /nfs/dbraw/zinc/67/43/27/1427674327.db2.gz IZHFUCYSDNHKKM-JSGCOSHPSA-N -1 1 346.416 2.639 20 5 EFBDMM CC(C)OC1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000824309124 1428225772 /nfs/dbraw/zinc/22/57/72/1428225772.db2.gz FURCCHYWZYJXGC-UHFFFAOYSA-N -1 1 346.391 2.923 20 5 EFBDMM C[C@@H](c1ccccc1[N+](=O)[O-])N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820570310 1428666827 /nfs/dbraw/zinc/66/68/27/1428666827.db2.gz GUUGVAFSWXCNEG-LBPRGKRZSA-N -1 1 338.371 2.968 20 5 EFBDMM C[C@H]1CCCC[C@@H]1CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736271931 1428767550 /nfs/dbraw/zinc/76/75/50/1428767550.db2.gz PIIXGXJHHZJPLC-WDEREUQCSA-N -1 1 331.380 2.798 20 5 EFBDMM C[C@H](CCc1ccccc1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820254484 1428994200 /nfs/dbraw/zinc/99/42/00/1428994200.db2.gz QBTVLVFGFRBWEG-LLVKDONJSA-N -1 1 339.359 2.603 20 5 EFBDMM Cc1ccc(OCCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1 ZINC000822263631 1429397769 /nfs/dbraw/zinc/39/77/69/1429397769.db2.gz WDKHMHJYUYXYEN-UHFFFAOYSA-N -1 1 340.343 2.574 20 5 EFBDMM O=[N+]([O-])c1ccccc1CCNc1ccc(F)cc1-c1nnn[n-]1 ZINC000823648422 1429549369 /nfs/dbraw/zinc/54/93/69/1429549369.db2.gz WTTZMGSMKUYRJS-UHFFFAOYSA-N -1 1 328.307 2.569 20 5 EFBDMM Cc1ccc(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(C)c1 ZINC000822271117 1429568955 /nfs/dbraw/zinc/56/89/55/1429568955.db2.gz NBUVMLUVURJZFE-UHFFFAOYSA-N -1 1 328.357 2.938 20 5 EFBDMM C[C@@H](c1cccc(O)c1)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820563712 1429601957 /nfs/dbraw/zinc/60/19/57/1429601957.db2.gz UFLFJSUAERJVLC-JTQLQIEISA-N -1 1 340.343 2.678 20 5 EFBDMM O=[N+]([O-])c1cnc(N[C@H]2C[C@@H]2C2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000823650825 1423403586 /nfs/dbraw/zinc/40/35/86/1423403586.db2.gz BOHIZCPRSGDGSN-YPMHNXCESA-N -1 1 329.364 2.551 20 5 EFBDMM CCC[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nnn[n-]1 ZINC000176742743 1423604735 /nfs/dbraw/zinc/60/47/35/1423604735.db2.gz PYSJNDIVMGTXEI-SNVBAGLBSA-N -1 1 346.372 2.594 20 5 EFBDMM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000102634450 1423717989 /nfs/dbraw/zinc/71/79/89/1423717989.db2.gz DNNVUGVMUMHJRS-UHFFFAOYSA-N -1 1 349.310 2.509 20 5 EFBDMM O=[N+]([O-])c1cnc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c(-c2nnn[n-]2)c1 ZINC000823652199 1429666136 /nfs/dbraw/zinc/66/61/36/1429666136.db2.gz WLQPDBVTSMSIDE-QJPTWQEYSA-N -1 1 343.391 2.941 20 5 EFBDMM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000102817426 1423750506 /nfs/dbraw/zinc/75/05/06/1423750506.db2.gz ABNXSTAOOXAQSH-UHFFFAOYSA-N -1 1 344.718 2.681 20 5 EFBDMM CCCC(O)(CCC)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736436415 1423755457 /nfs/dbraw/zinc/75/54/57/1423755457.db2.gz QMXNNOJQZXHOJD-UHFFFAOYSA-N -1 1 334.380 2.518 20 5 EFBDMM O=[N+]([O-])c1cnc(NCc2ccc3ccccc3c2)c(-c2nnn[n-]2)c1 ZINC000738373798 1423952753 /nfs/dbraw/zinc/95/27/53/1423952753.db2.gz HATNYXXZWOBPLG-UHFFFAOYSA-N -1 1 347.338 2.935 20 5 EFBDMM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000012807190 1424056458 /nfs/dbraw/zinc/05/64/58/1424056458.db2.gz CJDOAFBLPQIBTQ-UHFFFAOYSA-N -1 1 344.718 2.681 20 5 EFBDMM CCO[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C12CCC2 ZINC000736613213 1424330559 /nfs/dbraw/zinc/33/05/59/1424330559.db2.gz RPPOZSXQXJLEGL-UONOGXRCSA-N -1 1 344.375 2.535 20 5 EFBDMM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000020479117 1424342150 /nfs/dbraw/zinc/34/21/50/1424342150.db2.gz AKHRLASNTPVAOZ-UHFFFAOYSA-N -1 1 344.718 2.681 20 5 EFBDMM CCO[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C12CCC2 ZINC000736613211 1424958444 /nfs/dbraw/zinc/95/84/44/1424958444.db2.gz RPPOZSXQXJLEGL-KBPBESRZSA-N -1 1 344.375 2.535 20 5 EFBDMM C[C@@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1Cl ZINC000820460728 1425129028 /nfs/dbraw/zinc/12/90/28/1425129028.db2.gz AUBNFIUBDHUZBM-MRVPVSSYSA-N -1 1 345.750 2.996 20 5 EFBDMM C[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000820280427 1425231964 /nfs/dbraw/zinc/23/19/64/1425231964.db2.gz FWVNPFQLCYLSDP-VIFPVBQESA-N -1 1 343.322 2.525 20 5 EFBDMM C[C@H](CCc1cccn1C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820252412 1425266476 /nfs/dbraw/zinc/26/64/76/1425266476.db2.gz AICHEOSOEGZBID-LLVKDONJSA-N -1 1 341.375 2.547 20 5 EFBDMM Cc1cc(C)c(OC(=O)c2cc(-c3nnn[n-]3)cs2)c([N+](=O)[O-])c1 ZINC000822194454 1425466880 /nfs/dbraw/zinc/46/68/80/1425466880.db2.gz XXSLQPVIHSNMJY-UHFFFAOYSA-N -1 1 345.340 2.672 20 5 EFBDMM Cc1ccc(-c2nnn[n-]2)c(NCc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000826276644 1426455354 /nfs/dbraw/zinc/45/53/54/1426455354.db2.gz PNAPFWMYDKQYPI-UHFFFAOYSA-N -1 1 345.750 2.744 20 5 EFBDMM COCc1ccccc1CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000826165526 1426659861 /nfs/dbraw/zinc/65/98/61/1426659861.db2.gz YVTSTEVRDKLMIA-UHFFFAOYSA-N -1 1 340.343 2.533 20 5 EFBDMM CC1(C)C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C(C)(C)O1 ZINC000824790848 1426725692 /nfs/dbraw/zinc/72/56/92/1426725692.db2.gz SLZAZTBIUAJLPP-GFCCVEGCSA-N -1 1 332.364 2.533 20 5 EFBDMM CCO[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C12CCC2 ZINC000736613212 1426803867 /nfs/dbraw/zinc/80/38/67/1426803867.db2.gz RPPOZSXQXJLEGL-KGLIPLIRSA-N -1 1 344.375 2.535 20 5 EFBDMM CSc1cc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)ccn1 ZINC000826230105 1426856364 /nfs/dbraw/zinc/85/63/64/1426856364.db2.gz DPNRAPKCMUMJLK-UHFFFAOYSA-N -1 1 343.372 2.504 20 5 EFBDMM O=[N+]([O-])c1cccc(OCCSc2ccccc2-c2nnn[n-]2)c1 ZINC000738368002 1426860168 /nfs/dbraw/zinc/86/01/68/1426860168.db2.gz BGRUPXTXZPTFKT-UHFFFAOYSA-N -1 1 343.368 2.946 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCc2ccccc2F)cc1-c1nnn[n-]1 ZINC000826499032 1426942837 /nfs/dbraw/zinc/94/28/37/1426942837.db2.gz SIAHOCVSYSYYAD-UHFFFAOYSA-N -1 1 328.307 2.569 20 5 EFBDMM C[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000820280426 1426991860 /nfs/dbraw/zinc/99/18/60/1426991860.db2.gz FWVNPFQLCYLSDP-SECBINFHSA-N -1 1 343.322 2.525 20 5 EFBDMM O=[N+]([O-])c1ccc(NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c(-c2nnn[n-]2)c1 ZINC000823639440 1427009206 /nfs/dbraw/zinc/00/92/06/1427009206.db2.gz AJVXSHXINALLIM-LXZKKBNFSA-N -1 1 348.366 2.773 20 5 EFBDMM O=[N+]([O-])c1cc(Cl)cnc1Sc1ccc(-c2nn[n-]n2)cc1 ZINC000823634890 1427113787 /nfs/dbraw/zinc/11/37/87/1427113787.db2.gz NPESJINSGDRTNQ-UHFFFAOYSA-N -1 1 334.748 2.975 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@H]1c1cccs1 ZINC000823620886 1427320323 /nfs/dbraw/zinc/32/03/23/1427320323.db2.gz RYRFWHVIPBNIIY-JTQLQIEISA-N -1 1 343.372 2.573 20 5 EFBDMM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000736137452 1427425679 /nfs/dbraw/zinc/42/56/79/1427425679.db2.gz MOADFIRPUAVZLQ-QMMMGPOBSA-N -1 1 345.750 2.996 20 5 EFBDMM CC1(C)C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C(C)(C)O1 ZINC000824790849 1427668005 /nfs/dbraw/zinc/66/80/05/1427668005.db2.gz SLZAZTBIUAJLPP-LBPRGKRZSA-N -1 1 332.364 2.533 20 5 EFBDMM COc1ccc(-c2nnn[n-]2)cc1COc1ccc(C)c([N+](=O)[O-])c1 ZINC000826184793 1427750785 /nfs/dbraw/zinc/75/07/85/1427750785.db2.gz LDXZSEQSIBCWRD-UHFFFAOYSA-N -1 1 341.327 2.671 20 5 EFBDMM C[C@@H]1C[C@@H](C)N(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820659692 1427869566 /nfs/dbraw/zinc/86/95/66/1427869566.db2.gz ZTLWWVVRNLZUAM-NXEZZACHSA-N -1 1 339.359 2.558 20 5 EFBDMM Cc1cccc([C@@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1C ZINC000822288812 1428128729 /nfs/dbraw/zinc/12/87/29/1428128729.db2.gz KCMQDBWJNGJGNP-LLVKDONJSA-N -1 1 339.359 2.960 20 5 EFBDMM Cc1ccncc1[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826315365 1430021455 /nfs/dbraw/zinc/02/14/55/1430021455.db2.gz HKZMSHQOWNNULE-JTQLQIEISA-N -1 1 325.332 2.651 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1Oc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822271109 1430135222 /nfs/dbraw/zinc/13/52/22/1430135222.db2.gz MVBGMRMVIQMUMO-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM CC[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1c(C)noc1C ZINC000825148648 1441530246 /nfs/dbraw/zinc/53/02/46/1441530246.db2.gz RKXTYCRITYRCCW-LLVKDONJSA-N -1 1 343.347 2.943 20 5 EFBDMM COc1ccc(CNc2cccc(-c3nnn[n-]3)c2C)cc1[N+](=O)[O-] ZINC000826203889 1441573066 /nfs/dbraw/zinc/57/30/66/1441573066.db2.gz KTDPPAPONVEXMB-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM C[C@@H](NCc1ccc(-c2nn[n-]n2)s1)c1ccccc1[N+](=O)[O-] ZINC000824611824 1441900215 /nfs/dbraw/zinc/90/02/15/1441900215.db2.gz FRIGUPIPPCPDPH-SECBINFHSA-N -1 1 330.373 2.687 20 5 EFBDMM C[C@@H](NCc1ccc(-c2nnn[n-]2)s1)c1ccccc1[N+](=O)[O-] ZINC000824611824 1441900217 /nfs/dbraw/zinc/90/02/17/1441900217.db2.gz FRIGUPIPPCPDPH-SECBINFHSA-N -1 1 330.373 2.687 20 5 EFBDMM COc1ccc(CNc2ccc([N+](=O)[O-])cc2C)cc1-c1nnn[n-]1 ZINC000826203697 1442411452 /nfs/dbraw/zinc/41/14/52/1442411452.db2.gz BWKORHRZSKLERL-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM O=[N+]([O-])c1cnc(Oc2ccc(F)cc2Cl)c(-c2nnn[n-]2)c1 ZINC000823651930 1442421961 /nfs/dbraw/zinc/42/19/61/1442421961.db2.gz RUJJNXHLYXFARR-UHFFFAOYSA-N -1 1 336.670 2.755 20 5 EFBDMM O=[N+]([O-])c1cnc(NCc2coc3ccccc23)c(-c2nnn[n-]2)c1 ZINC000738375012 1442438692 /nfs/dbraw/zinc/43/86/92/1442438692.db2.gz XTRRMLPDGYFLHS-UHFFFAOYSA-N -1 1 337.299 2.528 20 5 EFBDMM CSc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821983109 1442454843 /nfs/dbraw/zinc/45/48/43/1442454843.db2.gz DRJVUWAEALZNAH-UHFFFAOYSA-N -1 1 329.345 2.635 20 5 EFBDMM Cc1ccc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cc1F ZINC000826288451 1442456473 /nfs/dbraw/zinc/45/64/73/1442456473.db2.gz HULAPXVNGKNKNK-UHFFFAOYSA-N -1 1 328.307 2.835 20 5 EFBDMM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1[N+](=O)[O-] ZINC000820507598 1443166200 /nfs/dbraw/zinc/16/62/00/1443166200.db2.gz IMKRQTVNIUVSTJ-MRVPVSSYSA-N -1 1 345.340 2.754 20 5 EFBDMM CC[C@H](C)n1nc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1C ZINC000825081058 1443381985 /nfs/dbraw/zinc/38/19/85/1443381985.db2.gz FBJQCZHBZGCJIV-VIFPVBQESA-N -1 1 342.363 2.994 20 5 EFBDMM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826457496 1443460181 /nfs/dbraw/zinc/46/01/81/1443460181.db2.gz DRDKGQYRUXYMLZ-UHFFFAOYSA-N -1 1 344.718 2.681 20 5 EFBDMM COc1ccc(CNc2cccc([N+](=O)[O-])c2C)cc1-c1nnn[n-]1 ZINC000826204018 1443512519 /nfs/dbraw/zinc/51/25/19/1443512519.db2.gz SQRVVMMWILHRPI-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM COc1ccc(COc2cccc(F)c2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826207101 1443586655 /nfs/dbraw/zinc/58/66/55/1443586655.db2.gz ABMMUKCEMLVIDO-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CCc3ccc(-c4nnn[n-]4)cc32)c(F)c1 ZINC000826498744 1443754271 /nfs/dbraw/zinc/75/42/71/1443754271.db2.gz IANBARXFVDDLCA-UHFFFAOYSA-N -1 1 326.291 2.608 20 5 EFBDMM O=[N+]([O-])c1cnc(Oc2ccc3ncccc3c2)c(-c2nn[n-]n2)c1 ZINC000738373852 1443885089 /nfs/dbraw/zinc/88/50/89/1443885089.db2.gz IFXDAJGHRHPNQA-UHFFFAOYSA-N -1 1 335.283 2.510 20 5 EFBDMM C[C@H]1c2ccccc2CCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820827604 1443902773 /nfs/dbraw/zinc/90/27/73/1443902773.db2.gz USWPIEGAALBQJM-NSHDSACASA-N -1 1 336.355 2.899 20 5 EFBDMM O=[N+]([O-])c1cnc(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c(-c2nnn[n-]2)c1 ZINC000823651973 1446087994 /nfs/dbraw/zinc/08/79/94/1446087994.db2.gz ULINSBLLKBJPLZ-GARJFASQSA-N -1 1 329.364 2.551 20 5 EFBDMM C[C@H](NCc1cc(-c2nn[n-]n2)cs1)c1ccccc1[N+](=O)[O-] ZINC000824611904 1446103281 /nfs/dbraw/zinc/10/32/81/1446103281.db2.gz FSEHABOUXVBOLC-VIFPVBQESA-N -1 1 330.373 2.687 20 5 EFBDMM C[C@H](NCc1cc(-c2nnn[n-]2)cs1)c1ccccc1[N+](=O)[O-] ZINC000824611904 1446103285 /nfs/dbraw/zinc/10/32/85/1446103285.db2.gz FSEHABOUXVBOLC-VIFPVBQESA-N -1 1 330.373 2.687 20 5 EFBDMM CC[C@H](Nc1ccc(-c2nnn[n-]2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000820926770 1446186619 /nfs/dbraw/zinc/18/66/19/1446186619.db2.gz WOJNGIQRLPDDER-ZDUSSCGKSA-N -1 1 325.332 2.733 20 5 EFBDMM CC(C)[C@@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000735706814 1446187097 /nfs/dbraw/zinc/18/70/97/1446187097.db2.gz DRWFSBGUESQZGT-SECBINFHSA-N -1 1 327.348 2.780 20 5 EFBDMM c1cn(Cc2nc3ccccc3c3ccccc32)c(-c2nnn[n-]2)n1 ZINC000826524122 1446234099 /nfs/dbraw/zinc/23/40/99/1446234099.db2.gz KCDXESGHELNVRN-UHFFFAOYSA-N -1 1 327.351 2.813 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2cccnc2)c(-c2nn[n-]n2)c1 ZINC000826499012 1446558683 /nfs/dbraw/zinc/55/86/83/1446558683.db2.gz ROPNVXMLUTUEDD-CQSZACIVSA-N -1 1 337.343 2.511 20 5 EFBDMM Cc1ccc(CC[C@@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])o1 ZINC000822236285 1446637160 /nfs/dbraw/zinc/63/71/60/1446637160.db2.gz SEBHZQLABDULCI-SECBINFHSA-N -1 1 343.347 2.505 20 5 EFBDMM CCCC(O)(CCC)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736434102 1446713890 /nfs/dbraw/zinc/71/38/90/1446713890.db2.gz DBFXRAKUIQCZCC-UHFFFAOYSA-N -1 1 334.380 2.518 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCCOc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823639873 1446720042 /nfs/dbraw/zinc/72/00/42/1446720042.db2.gz KDCZAHHWZFAYIR-UHFFFAOYSA-N -1 1 340.343 2.656 20 5 EFBDMM CN(c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)[C@@H]1CCc2ccccc21 ZINC000826004114 1446789832 /nfs/dbraw/zinc/78/98/32/1446789832.db2.gz JBXPADLYWSMWGR-OAHLLOKOSA-N -1 1 336.355 2.899 20 5 EFBDMM CCCCCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825268346 1446977617 /nfs/dbraw/zinc/97/76/17/1446977617.db2.gz SXKWHYQNNZMMGF-UHFFFAOYSA-N -1 1 338.755 2.947 20 5 EFBDMM COc1ccc(COc2ccc(F)cc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826207193 1446988403 /nfs/dbraw/zinc/98/84/03/1446988403.db2.gz DPOPORMDCHLTGC-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM O=[N+]([O-])c1cnc(N[C@@H]2C[C@@H]2C2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000823650823 1447029108 /nfs/dbraw/zinc/02/91/08/1447029108.db2.gz BOHIZCPRSGDGSN-DGCLKSJQSA-N -1 1 329.364 2.551 20 5 EFBDMM C[C@H](CCc1cccn1C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820254272 1447077792 /nfs/dbraw/zinc/07/77/92/1447077792.db2.gz OHYBNJDHYXERSA-LLVKDONJSA-N -1 1 341.375 2.547 20 5 EFBDMM O=[N+]([O-])c1cnc(Sc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000823651081 1447331845 /nfs/dbraw/zinc/33/18/45/1447331845.db2.gz DWNSAGVSUJFGHK-UHFFFAOYSA-N -1 1 334.748 2.975 20 5 EFBDMM Cc1ccc([C@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000737321699 1449317790 /nfs/dbraw/zinc/31/77/90/1449317790.db2.gz VIVNWIKALKXBEI-LLVKDONJSA-N -1 1 339.359 2.694 20 5 EFBDMM O=[N+]([O-])c1ccc(Nc2ccc3c(c2)CCCO3)c(-c2nnn[n-]2)c1 ZINC000738366117 1449459305 /nfs/dbraw/zinc/45/93/05/1449459305.db2.gz CUPWZQFFACCJGT-UHFFFAOYSA-N -1 1 338.327 2.844 20 5 EFBDMM CS[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)(C)C ZINC000826225528 1449478269 /nfs/dbraw/zinc/47/82/69/1449478269.db2.gz DMSKKUXWPJBZME-LBPRGKRZSA-N -1 1 336.421 2.965 20 5 EFBDMM CCc1ccc(CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000736682721 1449546746 /nfs/dbraw/zinc/54/67/46/1449546746.db2.gz LEYVOVKPQIQWDL-UHFFFAOYSA-N -1 1 338.371 2.992 20 5 EFBDMM O=[N+]([O-])c1ccc(F)c(NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000823639473 1449763404 /nfs/dbraw/zinc/76/34/04/1449763404.db2.gz AWUJIBSVLOGRKA-UHFFFAOYSA-N -1 1 332.270 2.665 20 5 EFBDMM O=[N+]([O-])c1ccccc1OCCSc1cccc(-c2nnn[n-]2)c1 ZINC000823647480 1449931481 /nfs/dbraw/zinc/93/14/81/1449931481.db2.gz KOIDRXAFEMVBTR-UHFFFAOYSA-N -1 1 343.368 2.946 20 5 EFBDMM CCc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1F ZINC000825717509 1450134325 /nfs/dbraw/zinc/13/43/25/1450134325.db2.gz NNKJSLBMACIKOV-UHFFFAOYSA-N -1 1 329.295 2.615 20 5 EFBDMM Cc1cccc([N+](=O)[O-])c1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822333187 1450217635 /nfs/dbraw/zinc/21/76/35/1450217635.db2.gz ZVGPEMHSZDMDCL-UHFFFAOYSA-N -1 1 328.307 2.835 20 5 EFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC1(C2CC2)CC1 ZINC000160165199 723173531 /nfs/dbraw/zinc/17/35/31/723173531.db2.gz SCCUIZZGZXTYQX-UHFFFAOYSA-N -1 1 330.793 2.717 20 5 EFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1C ZINC000032586223 727133817 /nfs/dbraw/zinc/13/38/17/727133817.db2.gz KEMKKGRRAODLIT-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccnc1 ZINC000170656299 728461540 /nfs/dbraw/zinc/46/15/40/728461540.db2.gz OJFZEVWHCMVUAD-VIFPVBQESA-N -1 1 341.776 2.683 20 5 EFBDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000154873260 728956640 /nfs/dbraw/zinc/95/66/40/728956640.db2.gz NFKLEVQZVLKKHM-UHFFFAOYSA-N -1 1 335.629 2.637 20 5 EFBDMM Cc1cccc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000921265088 729281581 /nfs/dbraw/zinc/28/15/81/729281581.db2.gz MLSDYSDZLPULCU-UHFFFAOYSA-N -1 1 330.365 2.952 20 5 EFBDMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1[N+](=O)[O-] ZINC000820513189 945473154 /nfs/dbraw/zinc/47/31/54/945473154.db2.gz WYSZDVDUHYTFOU-QMMMGPOBSA-N -1 1 345.340 2.754 20 5 EFBDMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1[N+](=O)[O-] ZINC000820513189 945473158 /nfs/dbraw/zinc/47/31/58/945473158.db2.gz WYSZDVDUHYTFOU-QMMMGPOBSA-N -1 1 345.340 2.754 20 5 EFBDMM CC1(c2ccccc2)CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001575857824 949274918 /nfs/dbraw/zinc/27/49/18/949274918.db2.gz WLCMOJBWHUYPHA-UHFFFAOYSA-N -1 1 336.355 2.553 20 5 EFBDMM CC1(c2ccccc2)CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001575857824 949274939 /nfs/dbraw/zinc/27/49/39/949274939.db2.gz WLCMOJBWHUYPHA-UHFFFAOYSA-N -1 1 336.355 2.553 20 5 EFBDMM O=C([O-])CC[C@H]1CCCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001595012943 951271924 /nfs/dbraw/zinc/27/19/24/951271924.db2.gz XUYQDTFOXSOAKX-LLVKDONJSA-N -1 1 332.360 2.690 20 5 EFBDMM O=C([O-])[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000901415579 956305043 /nfs/dbraw/zinc/30/50/43/956305043.db2.gz LCJLJGSRYULPDC-SNVBAGLBSA-N -1 1 332.278 2.910 20 5 EFBDMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001573712738 959859235 /nfs/dbraw/zinc/85/92/35/959859235.db2.gz VIJDHGKYIRPWTC-AAEUAGOBSA-N -1 1 345.355 2.935 20 5 EFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2CCN2Cc2ccccc2)c1 ZINC000716177826 977812315 /nfs/dbraw/zinc/81/23/15/977812315.db2.gz NTKYTJLNLJFQLC-HNNXBMFYSA-N -1 1 341.367 2.979 20 5 EFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CCN2Cc2ccccc2)c1 ZINC000716177827 977812586 /nfs/dbraw/zinc/81/25/86/977812586.db2.gz NTKYTJLNLJFQLC-OAHLLOKOSA-N -1 1 341.367 2.979 20 5 EFBDMM O=C([O-])c1ccnc(Nc2ccn(-c3ccccc3)n2)c1[N+](=O)[O-] ZINC000738696564 978593141 /nfs/dbraw/zinc/59/31/41/978593141.db2.gz ZBIKAHDDWJCPPP-UHFFFAOYSA-N -1 1 325.284 2.617 20 5 EFBDMM CC[C@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC001595299372 980426567 /nfs/dbraw/zinc/42/65/67/980426567.db2.gz REQCGTKIOMCTHK-AWEZNQCLSA-N -1 1 346.387 2.884 20 5 EFBDMM O=C([O-])C[C@@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000902007662 980684689 /nfs/dbraw/zinc/68/46/89/980684689.db2.gz NRLAUVXJWKSMIF-JTQLQIEISA-N -1 1 330.287 2.635 20 5 EFBDMM Cc1c(CN2CCOc3ccccc3[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000903929036 981049638 /nfs/dbraw/zinc/04/96/38/981049638.db2.gz VDOMGXWPYSQMAT-KRWDZBQOSA-N -1 1 342.351 2.924 20 5 EFBDMM C[C@@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1cccc(O)c1 ZINC001599841798 988851324 /nfs/dbraw/zinc/85/13/24/988851324.db2.gz MTBPVDORTBBBBX-LLVKDONJSA-N -1 1 346.339 2.615 20 5 EFBDMM CCc1n[nH]c(Sc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)n1 ZINC001597736026 989083446 /nfs/dbraw/zinc/08/34/46/989083446.db2.gz ORHKORVEUISADN-UHFFFAOYSA-N -1 1 328.737 2.778 20 5 EFBDMM CCc1nc(Sc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)n[nH]1 ZINC001597736026 989083452 /nfs/dbraw/zinc/08/34/52/989083452.db2.gz ORHKORVEUISADN-UHFFFAOYSA-N -1 1 328.737 2.778 20 5 EFBDMM C[C@H](O)CN(Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593458950 995371883 /nfs/dbraw/zinc/37/18/83/995371883.db2.gz LHRHSXADWPAZMG-ZDUSSCGKSA-N -1 1 344.367 2.676 20 5 EFBDMM COc1cc(CN2[C@@H](C)CC(C(=O)[O-])C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC001599407569 997351665 /nfs/dbraw/zinc/35/16/65/997351665.db2.gz UOUZTSMJESHBRX-UWVGGRQHSA-N -1 1 340.351 2.816 20 5 EFBDMM COc1cc([N+](=O)[O-])ccc1CN[C@@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC001599462028 998289317 /nfs/dbraw/zinc/28/93/17/998289317.db2.gz HLESEMRSIUOTRK-QGZVFWFLSA-N -1 1 348.330 2.832 20 5 EFBDMM C[C@@H]1Cc2ccccc2CN1c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001576386955 1089172847 /nfs/dbraw/zinc/17/28/47/1089172847.db2.gz XAERCVNMIOMGTG-SECBINFHSA-N -1 1 342.384 2.788 20 5 EFBDMM C[C@@H]1Cc2ccccc2CN1c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001576386955 1089172849 /nfs/dbraw/zinc/17/28/49/1089172849.db2.gz XAERCVNMIOMGTG-SECBINFHSA-N -1 1 342.384 2.788 20 5 EFBDMM CCCc1cncc(Oc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])c1 ZINC001577738719 1090159551 /nfs/dbraw/zinc/15/95/51/1090159551.db2.gz BRDTZFUZUFRGCA-UHFFFAOYSA-N -1 1 332.345 2.976 20 5 EFBDMM CCCc1cncc(Oc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])c1 ZINC001577738719 1090159553 /nfs/dbraw/zinc/15/95/53/1090159553.db2.gz BRDTZFUZUFRGCA-UHFFFAOYSA-N -1 1 332.345 2.976 20 5 EFBDMM COc1cc(OC)cc(Oc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])c1 ZINC001579937538 1090727659 /nfs/dbraw/zinc/72/76/59/1090727659.db2.gz OPLVUJHBLRBZFT-UHFFFAOYSA-N -1 1 349.328 2.646 20 5 EFBDMM COc1cc(OC)cc(Oc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])c1 ZINC001579937538 1090727664 /nfs/dbraw/zinc/72/76/64/1090727664.db2.gz OPLVUJHBLRBZFT-UHFFFAOYSA-N -1 1 349.328 2.646 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1Oc1ccc(F)cc1F ZINC001582803535 1091668131 /nfs/dbraw/zinc/66/81/31/1091668131.db2.gz LFBYFRQUVCKTFF-UHFFFAOYSA-N -1 1 337.217 2.985 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NC/C=C\c1ccccc1 ZINC001582804546 1091670628 /nfs/dbraw/zinc/67/06/28/1091670628.db2.gz GMTYOIFXIODDPA-DAXSKMNVSA-N -1 1 328.357 2.962 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NC/C=C\c1ccccc1 ZINC001582804546 1091670631 /nfs/dbraw/zinc/67/06/31/1091670631.db2.gz GMTYOIFXIODDPA-DAXSKMNVSA-N -1 1 328.357 2.962 20 5 EFBDMM CC(C)(CCNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)C1CC1 ZINC001589276128 1093062207 /nfs/dbraw/zinc/06/22/07/1093062207.db2.gz RQSZJLGCJJTDSX-UHFFFAOYSA-N -1 1 331.380 2.595 20 5 EFBDMM CC(C)(CCNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)C1CC1 ZINC001589276128 1093062212 /nfs/dbraw/zinc/06/22/12/1093062212.db2.gz RQSZJLGCJJTDSX-UHFFFAOYSA-N -1 1 331.380 2.595 20 5 EFBDMM CC(C)[C@@H]1N(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC12CCC2 ZINC001589519785 1093101985 /nfs/dbraw/zinc/10/19/85/1093101985.db2.gz MHRLRRLZHPXKLF-NSHDSACASA-N -1 1 334.405 2.851 20 5 EFBDMM CC(C)[C@@H]1N(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC12CCC2 ZINC001589519785 1093101988 /nfs/dbraw/zinc/10/19/88/1093101988.db2.gz MHRLRRLZHPXKLF-NSHDSACASA-N -1 1 334.405 2.851 20 5 EFBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1c(F)cncc1F ZINC001589984423 1093209439 /nfs/dbraw/zinc/20/94/39/1093209439.db2.gz PHXMWFHZHVAZFY-ZETCQYMHSA-N -1 1 347.285 2.621 20 5 EFBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1c(F)cncc1F ZINC001589984423 1093209444 /nfs/dbraw/zinc/20/94/44/1093209444.db2.gz PHXMWFHZHVAZFY-ZETCQYMHSA-N -1 1 347.285 2.621 20 5 EFBDMM CC1(C)C[C@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C(C)(C)O1 ZINC001590083934 1093258338 /nfs/dbraw/zinc/25/83/38/1093258338.db2.gz PJWYNZJXOMHSLE-VIFPVBQESA-N -1 1 338.393 2.594 20 5 EFBDMM CC1(C)C[C@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C(C)(C)O1 ZINC001590083934 1093258346 /nfs/dbraw/zinc/25/83/46/1093258346.db2.gz PJWYNZJXOMHSLE-VIFPVBQESA-N -1 1 338.393 2.594 20 5 EFBDMM C[C@]1(CCNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@@]1(F)Cl ZINC001590128632 1093278935 /nfs/dbraw/zinc/27/89/35/1093278935.db2.gz ZSMZJOYIFGBICU-STQMWFEESA-N -1 1 340.746 2.892 20 5 EFBDMM C[C@]1(CCNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@@]1(F)Cl ZINC001590128632 1093278940 /nfs/dbraw/zinc/27/89/40/1093278940.db2.gz ZSMZJOYIFGBICU-STQMWFEESA-N -1 1 340.746 2.892 20 5 EFBDMM C[C@@]1(CCNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C[C@]1(F)Cl ZINC001590126549 1093279149 /nfs/dbraw/zinc/27/91/49/1093279149.db2.gz FNMFDHOCJLKJKH-GHMZBOCLSA-N -1 1 346.775 2.953 20 5 EFBDMM C[C@@]1(CCNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C[C@]1(F)Cl ZINC001590126549 1093279152 /nfs/dbraw/zinc/27/91/52/1093279152.db2.gz FNMFDHOCJLKJKH-GHMZBOCLSA-N -1 1 346.775 2.953 20 5 EFBDMM C[C@@H]1CCC[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)[C@H]1C ZINC001590252639 1093339504 /nfs/dbraw/zinc/33/95/04/1093339504.db2.gz LYMGULSWRWAEDX-ZDMBXUJBSA-N -1 1 331.380 2.594 20 5 EFBDMM C[C@@H]1CCC[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)[C@H]1C ZINC001590252639 1093339512 /nfs/dbraw/zinc/33/95/12/1093339512.db2.gz LYMGULSWRWAEDX-ZDMBXUJBSA-N -1 1 331.380 2.594 20 5 EFBDMM C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)Cc2ccccc21 ZINC001590313837 1093370810 /nfs/dbraw/zinc/37/08/10/1093370810.db2.gz FZOIOZNKFLCLCA-NSHDSACASA-N -1 1 336.355 2.899 20 5 EFBDMM C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)Cc2ccccc21 ZINC001590313837 1093370818 /nfs/dbraw/zinc/37/08/18/1093370818.db2.gz FZOIOZNKFLCLCA-NSHDSACASA-N -1 1 336.355 2.899 20 5 EFBDMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C[C@@H](C)C1(F)F ZINC001590314970 1093371523 /nfs/dbraw/zinc/37/15/23/1093371523.db2.gz VDIIRTWUJWZZLZ-RKDXNWHRSA-N -1 1 338.318 2.502 20 5 EFBDMM C[C@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C[C@H](C)C1(F)F ZINC001590314968 1093372406 /nfs/dbraw/zinc/37/24/06/1093372406.db2.gz VDIIRTWUJWZZLZ-IUCAKERBSA-N -1 1 338.318 2.502 20 5 EFBDMM CC[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC001590473271 1093445320 /nfs/dbraw/zinc/44/53/20/1093445320.db2.gz NHKOZHKFZLGSES-LBPRGKRZSA-N -1 1 343.347 2.943 20 5 EFBDMM CC[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC001590473270 1093445411 /nfs/dbraw/zinc/44/54/11/1093445411.db2.gz NHKOZHKFZLGSES-GFCCVEGCSA-N -1 1 343.347 2.943 20 5 EFBDMM CCC1(CC)CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001590490701 1093452577 /nfs/dbraw/zinc/45/25/77/1093452577.db2.gz GBERKKNRSHFDCG-UHFFFAOYSA-N -1 1 331.380 2.577 20 5 EFBDMM CCC1(CC)CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001590490701 1093452579 /nfs/dbraw/zinc/45/25/79/1093452579.db2.gz GBERKKNRSHFDCG-UHFFFAOYSA-N -1 1 331.380 2.577 20 5 EFBDMM CCC1(CC)CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCS1 ZINC001590493198 1093455183 /nfs/dbraw/zinc/45/51/83/1093455183.db2.gz JOVPRKWGLWKYAR-UHFFFAOYSA-N -1 1 348.432 2.887 20 5 EFBDMM CCC1(CC)CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCS1 ZINC001590493198 1093455188 /nfs/dbraw/zinc/45/51/88/1093455188.db2.gz JOVPRKWGLWKYAR-UHFFFAOYSA-N -1 1 348.432 2.887 20 5 EFBDMM CC[C@H]1CCCC[C@H]1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590513202 1093470196 /nfs/dbraw/zinc/47/01/96/1093470196.db2.gz UTLNKHYAIPHFHX-QWRGUYRKSA-N -1 1 331.380 2.798 20 5 EFBDMM CC[C@H]1CCCC[C@H]1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590513202 1093470202 /nfs/dbraw/zinc/47/02/02/1093470202.db2.gz UTLNKHYAIPHFHX-QWRGUYRKSA-N -1 1 331.380 2.798 20 5 EFBDMM CCN(CCC(F)(F)F)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590692330 1093550147 /nfs/dbraw/zinc/55/01/47/1093550147.db2.gz OPQYZIIYFJWXCH-UHFFFAOYSA-N -1 1 336.299 2.615 20 5 EFBDMM CCN(CCC(F)(F)F)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590692330 1093550154 /nfs/dbraw/zinc/55/01/54/1093550154.db2.gz OPQYZIIYFJWXCH-UHFFFAOYSA-N -1 1 336.299 2.615 20 5 EFBDMM CCN(CCc1cccs1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590717132 1093551773 /nfs/dbraw/zinc/55/17/73/1093551773.db2.gz NQFWHMOQRUAQCG-UHFFFAOYSA-N -1 1 344.400 2.905 20 5 EFBDMM CCS[C@H]1CCC[C@@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590850215 1093597846 /nfs/dbraw/zinc/59/78/46/1093597846.db2.gz HVAQOTHSABFGJE-AAEUAGOBSA-N -1 1 334.405 2.861 20 5 EFBDMM CN(Cc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591140098 1093670916 /nfs/dbraw/zinc/67/09/16/1093670916.db2.gz PSCHDAKULBSLIH-UHFFFAOYSA-N -1 1 328.307 2.550 20 5 EFBDMM CN(Cc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591140098 1093670919 /nfs/dbraw/zinc/67/09/19/1093670919.db2.gz PSCHDAKULBSLIH-UHFFFAOYSA-N -1 1 328.307 2.550 20 5 EFBDMM CN(c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC001591155129 1093676120 /nfs/dbraw/zinc/67/61/20/1093676120.db2.gz RBYZGPQGMOBOJI-NSHDSACASA-N -1 1 342.384 2.960 20 5 EFBDMM CN(c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC001591155129 1093676124 /nfs/dbraw/zinc/67/61/24/1093676124.db2.gz RBYZGPQGMOBOJI-NSHDSACASA-N -1 1 342.384 2.960 20 5 EFBDMM COCCC1(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCCC1 ZINC001591401435 1093717532 /nfs/dbraw/zinc/71/75/32/1093717532.db2.gz WTDXZAPRLGIKHS-UHFFFAOYSA-N -1 1 346.391 2.784 20 5 EFBDMM COCCC1(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCCC1 ZINC001591401435 1093717540 /nfs/dbraw/zinc/71/75/40/1093717540.db2.gz WTDXZAPRLGIKHS-UHFFFAOYSA-N -1 1 346.391 2.784 20 5 EFBDMM COc1cc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)ccc1[N+](=O)[O-] ZINC001591554935 1093766895 /nfs/dbraw/zinc/76/68/95/1093766895.db2.gz NRDTTYBIVSAWCM-UHFFFAOYSA-N -1 1 348.706 2.624 20 5 EFBDMM COc1cc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)ccc1[N+](=O)[O-] ZINC001591554935 1093766896 /nfs/dbraw/zinc/76/68/96/1093766896.db2.gz NRDTTYBIVSAWCM-UHFFFAOYSA-N -1 1 348.706 2.624 20 5 EFBDMM COc1ccc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c(F)c1 ZINC001591601400 1093789262 /nfs/dbraw/zinc/78/92/62/1093789262.db2.gz QYAMFFSHEAZTDA-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM Cc1c(CSc2cccnc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591819196 1093870891 /nfs/dbraw/zinc/87/08/91/1093870891.db2.gz WTLPAPILASREON-UHFFFAOYSA-N -1 1 328.357 2.771 20 5 EFBDMM Cc1c(CSc2cccnc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591819196 1093870899 /nfs/dbraw/zinc/87/08/99/1093870899.db2.gz WTLPAPILASREON-UHFFFAOYSA-N -1 1 328.357 2.771 20 5 EFBDMM Cc1cc(Cl)nc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)c1 ZINC001591977139 1093943678 /nfs/dbraw/zinc/94/36/78/1093943678.db2.gz NEQLRPUQBUHOTI-UHFFFAOYSA-N -1 1 345.750 2.744 20 5 EFBDMM Cc1cc(Cl)nc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)c1 ZINC001591977139 1093943681 /nfs/dbraw/zinc/94/36/81/1093943681.db2.gz NEQLRPUQBUHOTI-UHFFFAOYSA-N -1 1 345.750 2.744 20 5 EFBDMM Cc1cc(Cl)nc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1 ZINC001591977735 1093944060 /nfs/dbraw/zinc/94/40/60/1093944060.db2.gz VFBHGMBHZYXANS-UHFFFAOYSA-N -1 1 345.750 2.744 20 5 EFBDMM Cc1cc(F)ccc1CCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591992094 1093950296 /nfs/dbraw/zinc/95/02/96/1093950296.db2.gz JOWJLFOUBYOSTE-UHFFFAOYSA-N -1 1 342.334 2.877 20 5 EFBDMM Cc1cc(F)ccc1CCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591992094 1093950301 /nfs/dbraw/zinc/95/03/01/1093950301.db2.gz JOWJLFOUBYOSTE-UHFFFAOYSA-N -1 1 342.334 2.877 20 5 EFBDMM Cc1cc(NC[C@@H](C)c2ccccn2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592040804 1093963492 /nfs/dbraw/zinc/96/34/92/1093963492.db2.gz KGTMMKWXLXRXAR-LLVKDONJSA-N -1 1 339.359 2.694 20 5 EFBDMM Cc1cc(NC[C@@H](C)c2ccccn2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592040804 1093963495 /nfs/dbraw/zinc/96/34/95/1093963495.db2.gz KGTMMKWXLXRXAR-LLVKDONJSA-N -1 1 339.359 2.694 20 5 EFBDMM Cc1cc(Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])ccc1N(C)C ZINC001592056709 1093970093 /nfs/dbraw/zinc/97/00/93/1093970093.db2.gz JTQWMVFFSFEWTQ-UHFFFAOYSA-N -1 1 345.388 2.954 20 5 EFBDMM Cc1cc(Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])ccc1N(C)C ZINC001592056709 1093970095 /nfs/dbraw/zinc/97/00/95/1093970095.db2.gz JTQWMVFFSFEWTQ-UHFFFAOYSA-N -1 1 345.388 2.954 20 5 EFBDMM Cc1ccc(CCNc2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)o1 ZINC001592151433 1094000547 /nfs/dbraw/zinc/00/05/47/1094000547.db2.gz QPKSCDSISBZNFU-UHFFFAOYSA-N -1 1 328.332 2.639 20 5 EFBDMM Cc1ccc(CCNc2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)o1 ZINC001592151433 1094000553 /nfs/dbraw/zinc/00/05/53/1094000553.db2.gz QPKSCDSISBZNFU-UHFFFAOYSA-N -1 1 328.332 2.639 20 5 EFBDMM Cc1cccc2c1CCN(c1ccc(-c3nn[n-]n3)c([N+](=O)[O-])c1)C2 ZINC001592243998 1094046383 /nfs/dbraw/zinc/04/63/83/1094046383.db2.gz KRJJLZSZLTZBFU-UHFFFAOYSA-N -1 1 336.355 2.646 20 5 EFBDMM Cc1ccccc1CN(C)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001592255905 1094052465 /nfs/dbraw/zinc/05/24/65/1094052465.db2.gz CFHVYHQJXWIBCJ-UHFFFAOYSA-N -1 1 330.373 2.781 20 5 EFBDMM Cc1ccccc1CN(C)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001592255905 1094052474 /nfs/dbraw/zinc/05/24/74/1094052474.db2.gz CFHVYHQJXWIBCJ-UHFFFAOYSA-N -1 1 330.373 2.781 20 5 EFBDMM Cc1cnc([C@H](C)CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)s1 ZINC001592291204 1094066699 /nfs/dbraw/zinc/06/66/99/1094066699.db2.gz AYZAGSDGUOXUPZ-MRVPVSSYSA-N -1 1 345.388 2.755 20 5 EFBDMM Cc1cnc([C@H](C)CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)s1 ZINC001592291204 1094066704 /nfs/dbraw/zinc/06/67/04/1094066704.db2.gz AYZAGSDGUOXUPZ-MRVPVSSYSA-N -1 1 345.388 2.755 20 5 EFBDMM Cc1nc(Sc2cccc(F)c2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001592399790 1094098752 /nfs/dbraw/zinc/09/87/52/1094098752.db2.gz STJLDDHQQMPWJS-UHFFFAOYSA-N -1 1 332.320 2.769 20 5 EFBDMM Cc1nc(Sc2cccc(F)c2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001592399790 1094098758 /nfs/dbraw/zinc/09/87/58/1094098758.db2.gz STJLDDHQQMPWJS-UHFFFAOYSA-N -1 1 332.320 2.769 20 5 EFBDMM Cc1nsc(Oc2ccc(Cl)cc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC001592494412 1094112997 /nfs/dbraw/zinc/11/29/97/1094112997.db2.gz OYKRGQSSNOKTHL-UHFFFAOYSA-N -1 1 338.736 2.986 20 5 EFBDMM Cc1nsc(Oc2ccc(Cl)cc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC001592494412 1094112998 /nfs/dbraw/zinc/11/29/98/1094112998.db2.gz OYKRGQSSNOKTHL-UHFFFAOYSA-N -1 1 338.736 2.986 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1C[C@H](c2ccccc2)C1 ZINC001593465396 1094308356 /nfs/dbraw/zinc/30/83/56/1094308356.db2.gz OWGOCSGOXRPLEB-HAQNSBGRSA-N -1 1 337.343 2.528 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1C[C@H](c2ccccc2)C1 ZINC001593465396 1094308360 /nfs/dbraw/zinc/30/83/60/1094308360.db2.gz OWGOCSGOXRPLEB-HAQNSBGRSA-N -1 1 337.343 2.528 20 5 EFBDMM O=[N+]([O-])c1c(N[C@@H]2C[C@]2(F)c2ccccc2)cccc1-c1nnn[n-]1 ZINC001593465466 1094310088 /nfs/dbraw/zinc/31/00/88/1094310088.db2.gz PFHQSHAFGVBUPM-CJNGLKHVSA-N -1 1 340.318 2.824 20 5 EFBDMM O=[N+]([O-])c1c(N[C@@H]2C[C@]2(F)c2ccccc2)cccc1-c1nn[n-]n1 ZINC001593465466 1094310091 /nfs/dbraw/zinc/31/00/91/1094310091.db2.gz PFHQSHAFGVBUPM-CJNGLKHVSA-N -1 1 340.318 2.824 20 5 EFBDMM O=[N+]([O-])c1c(Sc2nnc(C3CC3)s2)cccc1-c1nnn[n-]1 ZINC001593469083 1094311631 /nfs/dbraw/zinc/31/16/31/1094311631.db2.gz MJPUKBSYRBJCSZ-UHFFFAOYSA-N -1 1 347.385 2.655 20 5 EFBDMM O=[N+]([O-])c1c(Sc2nnc(C3CC3)s2)cccc1-c1nn[n-]n1 ZINC001593469083 1094311637 /nfs/dbraw/zinc/31/16/37/1094311637.db2.gz MJPUKBSYRBJCSZ-UHFFFAOYSA-N -1 1 347.385 2.655 20 5 EFBDMM O=[N+]([O-])c1c(NCc2ccc(F)c(F)c2)cccc1-c1nnn[n-]1 ZINC001593468727 1094312882 /nfs/dbraw/zinc/31/28/82/1094312882.db2.gz JYWKGCQULGAWMW-UHFFFAOYSA-N -1 1 332.270 2.665 20 5 EFBDMM O=[N+]([O-])c1c(NCc2ccc(F)c(F)c2)cccc1-c1nn[n-]n1 ZINC001593468727 1094312897 /nfs/dbraw/zinc/31/28/97/1094312897.db2.gz JYWKGCQULGAWMW-UHFFFAOYSA-N -1 1 332.270 2.665 20 5 EFBDMM O=[N+]([O-])c1cc(N2CCC3(C2)CCCCC3)ccc1-c1nn[n-]n1 ZINC001593471647 1094314742 /nfs/dbraw/zinc/31/47/42/1094314742.db2.gz QWTXBDLELBBDGH-UHFFFAOYSA-N -1 1 328.376 2.936 20 5 EFBDMM O=[N+]([O-])c1cc(NC[C@H]2CCC3(CCC3)CO2)ccc1-c1nn[n-]n1 ZINC001593473495 1094316740 /nfs/dbraw/zinc/31/67/40/1094316740.db2.gz FPKXRWAIUVOEIX-GFCCVEGCSA-N -1 1 344.375 2.536 20 5 EFBDMM O=[N+]([O-])c1cc(NCCc2c(F)cccc2F)ccc1-c1nn[n-]n1 ZINC001593473739 1094317124 /nfs/dbraw/zinc/31/71/24/1094317124.db2.gz KQNLJJSYOYNQHV-UHFFFAOYSA-N -1 1 346.297 2.708 20 5 EFBDMM O=[N+]([O-])c1cc(N[C@H](C2CC2)[C@@H]2CCCCO2)ccc1-c1nn[n-]n1 ZINC001593474568 1094317801 /nfs/dbraw/zinc/31/78/01/1094317801.db2.gz TVULMUABXMFORW-LSDHHAIUSA-N -1 1 344.375 2.535 20 5 EFBDMM O=[N+]([O-])c1cc(NC[C@@H]2CCCC3(CCC3)O2)ccc1-c1nn[n-]n1 ZINC001593473552 1094318117 /nfs/dbraw/zinc/31/81/17/1094318117.db2.gz HSMGJTKKLWLJBY-LBPRGKRZSA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1cc(N[C@@H](C2CC2)[C@@H]2CCCCO2)ccc1-c1nn[n-]n1 ZINC001593474566 1094319055 /nfs/dbraw/zinc/31/90/55/1094319055.db2.gz TVULMUABXMFORW-GJZGRUSLSA-N -1 1 344.375 2.535 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1SCCC(F)(F)F ZINC001593488038 1094328381 /nfs/dbraw/zinc/32/83/81/1094328381.db2.gz FAOWJROEOBZBKP-UHFFFAOYSA-N -1 1 325.297 2.881 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1SCCC(F)(F)F ZINC001593488038 1094328393 /nfs/dbraw/zinc/32/83/93/1094328393.db2.gz FAOWJROEOBZBKP-UHFFFAOYSA-N -1 1 325.297 2.881 20 5 EFBDMM O=[N+]([O-])c1cc(NCCCc2ccc(O)cc2)ccc1-c1nn[n-]n1 ZINC001593475015 1094320223 /nfs/dbraw/zinc/32/02/23/1094320223.db2.gz XKZVIMCAQSGSGS-UHFFFAOYSA-N -1 1 340.343 2.525 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1-c1nnn[n-]1 ZINC001593477822 1094321675 /nfs/dbraw/zinc/32/16/75/1094321675.db2.gz FZHJSWZUACNBPB-IEBDPFPHSA-N -1 1 336.302 2.621 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1-c1nn[n-]n1 ZINC001593477822 1094321689 /nfs/dbraw/zinc/32/16/89/1094321689.db2.gz FZHJSWZUACNBPB-IEBDPFPHSA-N -1 1 336.302 2.621 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H]2CCCC23CCOCC3)cc1-c1nnn[n-]1 ZINC001593478226 1094322143 /nfs/dbraw/zinc/32/21/43/1094322143.db2.gz RNCXEJKQAXHVPL-CQSZACIVSA-N -1 1 344.375 2.536 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H]2CCCC23CCOCC3)cc1-c1nn[n-]n1 ZINC001593478226 1094322155 /nfs/dbraw/zinc/32/21/55/1094322155.db2.gz RNCXEJKQAXHVPL-CQSZACIVSA-N -1 1 344.375 2.536 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCC[C@@H]2CCCC[C@@H]2O)cc1-c1nnn[n-]1 ZINC001593478217 1094322287 /nfs/dbraw/zinc/32/22/87/1094322287.db2.gz RJGKPZSKZTWTHE-NHYWBVRUSA-N -1 1 346.391 2.518 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCC[C@@H]2CCCC[C@@H]2O)cc1-c1nn[n-]n1 ZINC001593478217 1094322301 /nfs/dbraw/zinc/32/23/01/1094322301.db2.gz RJGKPZSKZTWTHE-NHYWBVRUSA-N -1 1 346.391 2.518 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCCCc1ccccc1 ZINC001593488776 1094329573 /nfs/dbraw/zinc/32/95/73/1094329573.db2.gz MPNOCJNRXJBJSG-UHFFFAOYSA-N -1 1 330.373 2.881 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCCCc1ccccc1 ZINC001593488776 1094329580 /nfs/dbraw/zinc/32/95/80/1094329580.db2.gz MPNOCJNRXJBJSG-UHFFFAOYSA-N -1 1 330.373 2.881 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N(CC1CC1)CC1CCC1 ZINC001593487629 1094329746 /nfs/dbraw/zinc/32/97/46/1094329746.db2.gz KDJVQQWSJBUKLS-UHFFFAOYSA-N -1 1 334.405 2.853 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N(CC1CC1)CC1CCC1 ZINC001593487629 1094329756 /nfs/dbraw/zinc/32/97/56/1094329756.db2.gz KDJVQQWSJBUKLS-UHFFFAOYSA-N -1 1 334.405 2.853 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCCC[C@@H]1CCCCO1 ZINC001593487694 1094330327 /nfs/dbraw/zinc/33/03/27/1094330327.db2.gz FCAZPOBFNNPGCW-VIFPVBQESA-N -1 1 338.393 2.598 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCCC[C@@H]1CCCCO1 ZINC001593487694 1094330341 /nfs/dbraw/zinc/33/03/41/1094330341.db2.gz FCAZPOBFNNPGCW-VIFPVBQESA-N -1 1 338.393 2.598 20 5 EFBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(Nc2ccn(-c3ccccc3)n2)n1 ZINC001600107060 1094775249 /nfs/dbraw/zinc/77/52/49/1094775249.db2.gz XKWCLLJDSXYJFB-UHFFFAOYSA-N -1 1 339.311 2.926 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001600488403 1095104133 /nfs/dbraw/zinc/10/41/33/1095104133.db2.gz SXGWEJJWEKMWTC-UHFFFAOYSA-N -1 1 340.295 2.730 20 5 EFBDMM Cc1nn(CN2CCCC[C@H]2CC(=O)[O-])c2cc([N+](=O)[O-])ccc12 ZINC001600788924 1095334401 /nfs/dbraw/zinc/33/44/01/1095334401.db2.gz KWSBUNHRYXZBSP-LBPRGKRZSA-N -1 1 332.360 2.540 20 5 EFBDMM Cc1sc(C)c(C(=O)[O-])c1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001600876027 1095400234 /nfs/dbraw/zinc/40/02/34/1095400234.db2.gz GTOYPBWBPIAIPH-UHFFFAOYSA-N -1 1 336.325 2.929 20 5 EFBDMM O=C([O-])[C@@H]1[C@H](CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1(F)F ZINC001601748758 1095886038 /nfs/dbraw/zinc/88/60/38/1095886038.db2.gz IRKMODAWGGEQJG-STQMWFEESA-N -1 1 326.299 2.525 20 5 EFBDMM O=C([O-])C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])c2ccccc21 ZINC001601961418 1095995006 /nfs/dbraw/zinc/99/50/06/1095995006.db2.gz ALDBJLMEHLOBNP-NSHDSACASA-N -1 1 328.324 2.879 20 5 EFBDMM O=C([O-])COc1ccc(CNc2ccc3nc[nH]c3c2)cc1[N+](=O)[O-] ZINC001602084904 1096052784 /nfs/dbraw/zinc/05/27/84/1096052784.db2.gz KWNUSSKIUOXHKT-UHFFFAOYSA-N -1 1 342.311 2.547 20 5 EFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN[C@H](CCCO)c2ccccc2)c1 ZINC001602404397 1096223862 /nfs/dbraw/zinc/22/38/62/1096223862.db2.gz XCVZWCOHUIDMSY-MRXNPFEDSA-N -1 1 344.367 2.896 20 5 EFBDMM CC(C)(C)C1=CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001603062656 1096428198 /nfs/dbraw/zinc/42/81/98/1096428198.db2.gz NZFRUTIZTNPXOA-UHFFFAOYSA-N -1 1 328.376 2.958 20 5 EFBDMM CC(C)(C)C1=CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001603062656 1096428204 /nfs/dbraw/zinc/42/82/04/1096428204.db2.gz NZFRUTIZTNPXOA-UHFFFAOYSA-N -1 1 328.376 2.958 20 5 EFBDMM CC(C)OC1CCC(Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC001603347320 1096510348 /nfs/dbraw/zinc/51/03/48/1096510348.db2.gz OJPUBOVJODXVMB-UHFFFAOYSA-N -1 1 346.391 2.923 20 5 EFBDMM C[C@@H](CCc1cccn1C)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001603499054 1096539789 /nfs/dbraw/zinc/53/97/89/1096539789.db2.gz JKIHVLGCZWPSAZ-VIFPVBQESA-N -1 1 347.404 2.608 20 5 EFBDMM C[C@@H](CCc1cccn1C)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001603499054 1096539798 /nfs/dbraw/zinc/53/97/98/1096539798.db2.gz JKIHVLGCZWPSAZ-VIFPVBQESA-N -1 1 347.404 2.608 20 5 EFBDMM CC(C)[C@@H]1N(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1(C)C ZINC001603761952 1096616418 /nfs/dbraw/zinc/61/64/18/1096616418.db2.gz LIYIGZOHEXVGKE-INIZCTEOSA-N -1 1 336.388 2.925 20 5 EFBDMM CC1(Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])Cc2ccccc2C1 ZINC001603819883 1096635952 /nfs/dbraw/zinc/63/59/52/1096635952.db2.gz BFSJENOTSFFVQZ-UHFFFAOYSA-N -1 1 342.384 2.806 20 5 EFBDMM CC1(Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])Cc2ccccc2C1 ZINC001603819883 1096635957 /nfs/dbraw/zinc/63/59/57/1096635957.db2.gz BFSJENOTSFFVQZ-UHFFFAOYSA-N -1 1 342.384 2.806 20 5 EFBDMM C[C@H]1[C@@H](C(F)(F)F)CCN1c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603837517 1096641566 /nfs/dbraw/zinc/64/15/66/1096641566.db2.gz UVTWVULUJAOADZ-XVKPBYJWSA-N -1 1 342.281 2.552 20 5 EFBDMM C[C@H]1[C@@H](C(F)(F)F)CCN1c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603837517 1096641570 /nfs/dbraw/zinc/64/15/70/1096641570.db2.gz UVTWVULUJAOADZ-XVKPBYJWSA-N -1 1 342.281 2.552 20 5 EFBDMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC001603938631 1096675866 /nfs/dbraw/zinc/67/58/66/1096675866.db2.gz GAWHQBCNPTUXLN-OSMZGAPFSA-N -1 1 328.376 2.790 20 5 EFBDMM CC[C@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)[C@@H]1CCCCO1 ZINC001604063766 1096716847 /nfs/dbraw/zinc/71/68/47/1096716847.db2.gz MGVDWUFELBXQNC-JSGCOSHPSA-N -1 1 332.364 2.535 20 5 EFBDMM CC[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)[C@@H]1CCCCO1 ZINC001604063766 1096716853 /nfs/dbraw/zinc/71/68/53/1096716853.db2.gz MGVDWUFELBXQNC-JSGCOSHPSA-N -1 1 332.364 2.535 20 5 EFBDMM C[C@](CC(=O)[O-])(NCc1ccc([N+](=O)[O-])c(F)c1)c1cccnc1 ZINC001604089410 1096728753 /nfs/dbraw/zinc/72/87/53/1096728753.db2.gz GEONMWPCVRKGFZ-MRXNPFEDSA-N -1 1 333.319 2.609 20 5 EFBDMM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(O)(C2(C(=O)[O-])CCC2)CC1 ZINC001604470358 1096870942 /nfs/dbraw/zinc/87/09/42/1096870942.db2.gz DWWYFHRMMKCBOS-CYBMUJFWSA-N -1 1 348.399 2.738 20 5 EFBDMM CCSCC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001604481665 1096874854 /nfs/dbraw/zinc/87/48/54/1096874854.db2.gz MEQPEJRWSASQPQ-JTQLQIEISA-N -1 1 336.421 2.743 20 5 EFBDMM CCSC1(CNc2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001604478594 1096874955 /nfs/dbraw/zinc/87/49/55/1096874955.db2.gz LWEVVEPUUAJAMZ-UHFFFAOYSA-N -1 1 334.405 2.781 20 5 EFBDMM CCSC1(CNc2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001604478594 1096874960 /nfs/dbraw/zinc/87/49/60/1096874960.db2.gz LWEVVEPUUAJAMZ-UHFFFAOYSA-N -1 1 334.405 2.781 20 5 EFBDMM CCc1nc([C@@H](C)Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cs1 ZINC001604552166 1096901766 /nfs/dbraw/zinc/90/17/66/1096901766.db2.gz IGJZXJQSTONYBP-MRVPVSSYSA-N -1 1 345.388 2.967 20 5 EFBDMM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC001604637452 1096919285 /nfs/dbraw/zinc/91/92/85/1096919285.db2.gz SOIZJLMJVHGYON-LDYMZIIASA-N -1 1 343.177 2.652 20 5 EFBDMM COC1(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCCCC1 ZINC001605021615 1097003884 /nfs/dbraw/zinc/00/38/84/1097003884.db2.gz WMTNNGZFFHRMJD-UHFFFAOYSA-N -1 1 332.364 2.536 20 5 EFBDMM COC1(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCCCC1 ZINC001605021615 1097003888 /nfs/dbraw/zinc/00/38/88/1097003888.db2.gz WMTNNGZFFHRMJD-UHFFFAOYSA-N -1 1 332.364 2.536 20 5 EFBDMM Cc1c(Oc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001605500031 1097139724 /nfs/dbraw/zinc/13/97/24/1097139724.db2.gz JUVRZEGINZHTRL-UHFFFAOYSA-N -1 1 348.300 2.845 20 5 EFBDMM Cc1c(Oc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001605500031 1097139728 /nfs/dbraw/zinc/13/97/28/1097139728.db2.gz JUVRZEGINZHTRL-UHFFFAOYSA-N -1 1 348.300 2.845 20 5 EFBDMM Cc1cc(N[C@H](C)Cc2cccnc2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605718390 1097206799 /nfs/dbraw/zinc/20/67/99/1097206799.db2.gz XMZRLDOQHVIGKG-LLVKDONJSA-N -1 1 339.359 2.521 20 5 EFBDMM Cc1cc(N[C@H](C)Cc2cccnc2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605718390 1097206805 /nfs/dbraw/zinc/20/68/05/1097206805.db2.gz XMZRLDOQHVIGKG-LLVKDONJSA-N -1 1 339.359 2.521 20 5 EFBDMM Cc1cc(NCCSCC(C)C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605735803 1097210800 /nfs/dbraw/zinc/21/08/00/1097210800.db2.gz HFPSCBDHEMOWFR-UHFFFAOYSA-N -1 1 336.421 2.884 20 5 EFBDMM Cc1cc(NCCSCC(C)C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605735803 1097210805 /nfs/dbraw/zinc/21/08/05/1097210805.db2.gz HFPSCBDHEMOWFR-UHFFFAOYSA-N -1 1 336.421 2.884 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(Oc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1 ZINC001605884388 1097264648 /nfs/dbraw/zinc/26/46/48/1097264648.db2.gz BTUBIRCCWDOJEK-UHFFFAOYSA-N -1 1 342.271 2.784 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(Oc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1 ZINC001605884388 1097264653 /nfs/dbraw/zinc/26/46/53/1097264653.db2.gz BTUBIRCCWDOJEK-UHFFFAOYSA-N -1 1 342.271 2.784 20 5 EFBDMM Cc1cccc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)c1[N+](=O)[O-] ZINC001167934506 1097337408 /nfs/dbraw/zinc/33/74/08/1097337408.db2.gz JOIVJBMVEOBSQC-UHFFFAOYSA-N -1 1 348.295 2.988 20 5 EFBDMM CO[C@H]1c2ccccc2C[C@H]1NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001607004428 1097493561 /nfs/dbraw/zinc/49/35/61/1097493561.db2.gz FYVGUEADQLQLAN-WBVHZDCISA-N -1 1 342.351 2.695 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC[C@H](C2CCC2)C1 ZINC001607076589 1097505003 /nfs/dbraw/zinc/50/50/03/1097505003.db2.gz AHVOIJDAKUVYEJ-LBPRGKRZSA-N -1 1 328.376 2.791 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC[C@H](C2CCC2)C1 ZINC001607076589 1097505008 /nfs/dbraw/zinc/50/50/08/1097505008.db2.gz AHVOIJDAKUVYEJ-LBPRGKRZSA-N -1 1 328.376 2.791 20 5 EFBDMM O=[N+]([O-])c1cc(N[C@H]2CCCC23CCOCC3)ccc1-c1nn[n-]n1 ZINC001607079336 1097506236 /nfs/dbraw/zinc/50/62/36/1097506236.db2.gz GJPYKFSUASAOFN-AWEZNQCLSA-N -1 1 344.375 2.536 20 5 EFBDMM O=[N+]([O-])c1cc(N2CC[C@H]3CCCC[C@H]3C2)ccc1-c1nn[n-]n1 ZINC001607078770 1097506760 /nfs/dbraw/zinc/50/67/60/1097506760.db2.gz LIWWRQZZNNLXEJ-NEPJUHHUSA-N -1 1 328.376 2.791 20 5 EFBDMM O=[N+]([O-])c1c(N[C@H]2C[C@@H]2Cc2ccccc2)cccc1-c1nnn[n-]1 ZINC001607077951 1097506881 /nfs/dbraw/zinc/50/68/81/1097506881.db2.gz HQTYBJUGMAOSAD-WFASDCNBSA-N -1 1 336.355 2.818 20 5 EFBDMM O=[N+]([O-])c1c(N[C@H]2C[C@@H]2Cc2ccccc2)cccc1-c1nn[n-]n1 ZINC001607077951 1097506886 /nfs/dbraw/zinc/50/68/86/1097506886.db2.gz HQTYBJUGMAOSAD-WFASDCNBSA-N -1 1 336.355 2.818 20 5 EFBDMM O=[N+]([O-])c1c(NC[C@@H]2CCOC3(CCC3)C2)cccc1-c1nnn[n-]1 ZINC001607078172 1097507059 /nfs/dbraw/zinc/50/70/59/1097507059.db2.gz MURHRZSKTQYPPY-LLVKDONJSA-N -1 1 344.375 2.536 20 5 EFBDMM O=[N+]([O-])c1c(NC[C@@H]2CCOC3(CCC3)C2)cccc1-c1nn[n-]n1 ZINC001607078172 1097507063 /nfs/dbraw/zinc/50/70/63/1097507063.db2.gz MURHRZSKTQYPPY-LLVKDONJSA-N -1 1 344.375 2.536 20 5 EFBDMM O=[N+]([O-])c1cc(N(CC(F)F)CC2CCC2)ccc1-c1nn[n-]n1 ZINC001607079049 1097507237 /nfs/dbraw/zinc/50/72/37/1097507237.db2.gz VPBVNNIOCZUOCN-UHFFFAOYSA-N -1 1 338.318 2.647 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CC[C@@H](C3CCCC3)C2)cc1-c1nnn[n-]1 ZINC001607081104 1097508082 /nfs/dbraw/zinc/50/80/82/1097508082.db2.gz BXDFUCSQPSIEPC-GFCCVEGCSA-N -1 1 328.376 2.791 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CC[C@@H](C3CCCC3)C2)cc1-c1nn[n-]n1 ZINC001607081104 1097508087 /nfs/dbraw/zinc/50/80/87/1097508087.db2.gz BXDFUCSQPSIEPC-GFCCVEGCSA-N -1 1 328.376 2.791 20 5 EFBDMM O=[N+]([O-])c1ccc(CCCCNc2cccnc2-c2nnn[n-]2)cc1 ZINC001607081793 1097508695 /nfs/dbraw/zinc/50/86/95/1097508695.db2.gz NHUHBOATUMFBRH-UHFFFAOYSA-N -1 1 339.359 2.605 20 5 EFBDMM O=[N+]([O-])c1ccc(CCCCNc2cccnc2-c2nn[n-]n2)cc1 ZINC001607081793 1097508700 /nfs/dbraw/zinc/50/87/00/1097508700.db2.gz NHUHBOATUMFBRH-UHFFFAOYSA-N -1 1 339.359 2.605 20 5 EFBDMM O=[N+]([O-])c1ccc(N2Cc3cccc(Cl)c3C2)cc1-c1nnn[n-]1 ZINC001607081821 1097508881 /nfs/dbraw/zinc/50/88/81/1097508881.db2.gz HVZXZWFCGHJWSU-UHFFFAOYSA-N -1 1 342.746 2.949 20 5 EFBDMM O=[N+]([O-])c1ccc(N2Cc3cccc(Cl)c3C2)cc1-c1nn[n-]n1 ZINC001607081821 1097508886 /nfs/dbraw/zinc/50/88/86/1097508886.db2.gz HVZXZWFCGHJWSU-UHFFFAOYSA-N -1 1 342.746 2.949 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H]2CCOC3(CCCC3)C2)cc1-c1nnn[n-]1 ZINC001607082308 1097508897 /nfs/dbraw/zinc/50/88/97/1097508897.db2.gz OBEJNQULJYAENC-GFCCVEGCSA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H]2CCOC3(CCCC3)C2)cc1-c1nn[n-]n1 ZINC001607082308 1097508903 /nfs/dbraw/zinc/50/89/03/1097508903.db2.gz OBEJNQULJYAENC-GFCCVEGCSA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1ccc(CCSc2cccnc2-c2nnn[n-]2)cc1 ZINC001607081380 1097509029 /nfs/dbraw/zinc/50/90/29/1097509029.db2.gz JECZXNSNHQEBLM-UHFFFAOYSA-N -1 1 328.357 2.505 20 5 EFBDMM O=[N+]([O-])c1ccc(CCSc2cccnc2-c2nn[n-]n2)cc1 ZINC001607081380 1097509034 /nfs/dbraw/zinc/50/90/34/1097509034.db2.gz JECZXNSNHQEBLM-UHFFFAOYSA-N -1 1 328.357 2.505 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCCc2sccc2C1 ZINC001607086529 1097509939 /nfs/dbraw/zinc/50/99/39/1097509939.db2.gz YVXMFXOVPHMSJT-UHFFFAOYSA-N -1 1 348.413 2.851 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCCc2sccc2C1 ZINC001607086529 1097509944 /nfs/dbraw/zinc/50/99/44/1097509944.db2.gz YVXMFXOVPHMSJT-UHFFFAOYSA-N -1 1 348.413 2.851 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCc1cccc2[nH]ccc21 ZINC001607088514 1097510997 /nfs/dbraw/zinc/51/09/97/1097510997.db2.gz QKDNGBMQPZLGOK-UHFFFAOYSA-N -1 1 341.356 2.930 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCc1cccc2[nH]ccc21 ZINC001607088514 1097511003 /nfs/dbraw/zinc/51/10/03/1097511003.db2.gz QKDNGBMQPZLGOK-UHFFFAOYSA-N -1 1 341.356 2.930 20 5 EFBDMM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001607863953 1097757828 /nfs/dbraw/zinc/75/78/28/1097757828.db2.gz ANFNHBDKQJLYQF-UHFFFAOYSA-N -1 1 340.295 2.730 20 5 EFBDMM Nc1cc(CCCCNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])ccn1 ZINC001608271858 1097877067 /nfs/dbraw/zinc/87/70/67/1097877067.db2.gz AYQRYPFAIOAZRJ-UHFFFAOYSA-N -1 1 330.344 2.705 20 5 EFBDMM O=C([O-])c1cc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c[nH]1 ZINC001608843413 1098041299 /nfs/dbraw/zinc/04/12/99/1098041299.db2.gz JJWUHZHKIUQTOY-UHFFFAOYSA-N -1 1 343.261 2.930 20 5 EFBDMM O=C([O-])c1ccc(-c2ccc([C@H]3COCCN3)cc2)c([N+](=O)[O-])c1 ZINC001608868246 1098050382 /nfs/dbraw/zinc/05/03/82/1098050382.db2.gz DUFJEZBILJMKJN-OAHLLOKOSA-N -1 1 328.324 2.621 20 5 EFBDMM CC(C)[C@@H]1CCC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001609091262 1098139576 /nfs/dbraw/zinc/13/95/76/1098139576.db2.gz MTNQFNYVTOXXEE-GHMZBOCLSA-N -1 1 345.407 2.984 20 5 EFBDMM CC(C)[C@@H]1CCC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001609091262 1098139579 /nfs/dbraw/zinc/13/95/79/1098139579.db2.gz MTNQFNYVTOXXEE-GHMZBOCLSA-N -1 1 345.407 2.984 20 5 EFBDMM CC(C)n1cc([C@@H](C)Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cn1 ZINC001609126908 1098157949 /nfs/dbraw/zinc/15/79/49/1098157949.db2.gz NNMQVONQLONUAV-SNVBAGLBSA-N -1 1 342.363 2.725 20 5 EFBDMM CC(C)n1cc([C@@H](C)Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cn1 ZINC001609126908 1098157957 /nfs/dbraw/zinc/15/79/57/1098157957.db2.gz NNMQVONQLONUAV-SNVBAGLBSA-N -1 1 342.363 2.725 20 5 EFBDMM C[C@@H]1CCC[C@H](CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])[C@H]1C ZINC001609162854 1098176346 /nfs/dbraw/zinc/17/63/46/1098176346.db2.gz LNOAMCTWVQWOHT-OUAUKWLOSA-N -1 1 331.380 2.654 20 5 EFBDMM C[C@@H]1CCC[C@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])[C@H]1C ZINC001609162854 1098176352 /nfs/dbraw/zinc/17/63/52/1098176352.db2.gz LNOAMCTWVQWOHT-OUAUKWLOSA-N -1 1 331.380 2.654 20 5 EFBDMM C[C@H]1CCCC[C@H]1OCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609165864 1098179750 /nfs/dbraw/zinc/17/97/50/1098179750.db2.gz ZEMNMQLUWRBJJO-XHDPSFHLSA-N -1 1 346.391 2.782 20 5 EFBDMM C[C@H]1CCCC[C@H]1OCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609165864 1098179755 /nfs/dbraw/zinc/17/97/55/1098179755.db2.gz ZEMNMQLUWRBJJO-XHDPSFHLSA-N -1 1 346.391 2.782 20 5 EFBDMM Cc1cccc(CCCNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)n1 ZINC001609431059 1098317400 /nfs/dbraw/zinc/31/74/00/1098317400.db2.gz MWWODLRSYUXUNV-UHFFFAOYSA-N -1 1 339.359 2.523 20 5 EFBDMM Cc1cccc(CCCNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)n1 ZINC001609431059 1098317407 /nfs/dbraw/zinc/31/74/07/1098317407.db2.gz MWWODLRSYUXUNV-UHFFFAOYSA-N -1 1 339.359 2.523 20 5 EFBDMM Cc1cnc([C@H](C)CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])s1 ZINC001609439841 1098323232 /nfs/dbraw/zinc/32/32/32/1098323232.db2.gz IZCMKTRNEDYXOF-MRVPVSSYSA-N -1 1 345.388 2.755 20 5 EFBDMM Cc1cnc([C@H](C)CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])s1 ZINC001609439841 1098323240 /nfs/dbraw/zinc/32/32/40/1098323240.db2.gz IZCMKTRNEDYXOF-MRVPVSSYSA-N -1 1 345.388 2.755 20 5 EFBDMM Nc1cc(N[C@@H]2C[C@H]2C2CCCCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609511027 1098366524 /nfs/dbraw/zinc/36/65/24/1098366524.db2.gz SNAIQSCBWSPEBH-SMDDNHRTSA-N -1 1 343.391 2.738 20 5 EFBDMM Nc1cc(N[C@@H]2C[C@H]2C2CCCCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609511027 1098366529 /nfs/dbraw/zinc/36/65/29/1098366529.db2.gz SNAIQSCBWSPEBH-SMDDNHRTSA-N -1 1 343.391 2.738 20 5 EFBDMM O=[N+]([O-])c1c(NCCC[C@H]2CCCCO2)cccc1-c1nnn[n-]1 ZINC001609599859 1098394359 /nfs/dbraw/zinc/39/43/59/1098394359.db2.gz FDVAGQRWORFVSD-LLVKDONJSA-N -1 1 332.364 2.536 20 5 EFBDMM O=[N+]([O-])c1c(NCCC[C@H]2CCCCO2)cccc1-c1nn[n-]n1 ZINC001609599859 1098394362 /nfs/dbraw/zinc/39/43/62/1098394362.db2.gz FDVAGQRWORFVSD-LLVKDONJSA-N -1 1 332.364 2.536 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccccn2)cc1-c1nnn[n-]1 ZINC001609601584 1098396106 /nfs/dbraw/zinc/39/61/06/1098396106.db2.gz PBCLODIIEBAFFB-HNNXBMFYSA-N -1 1 337.343 2.511 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccccn2)cc1-c1nn[n-]n1 ZINC001609601584 1098396111 /nfs/dbraw/zinc/39/61/11/1098396111.db2.gz PBCLODIIEBAFFB-HNNXBMFYSA-N -1 1 337.343 2.511 20 5 EFBDMM O=[N+]([O-])c1ccc(CCOc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001609601391 1098396797 /nfs/dbraw/zinc/39/67/97/1098396797.db2.gz KERNOXLIMDBJEV-UHFFFAOYSA-N -1 1 329.291 2.536 20 5 EFBDMM O=[N+]([O-])c1ccc(CCOc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001609601391 1098396804 /nfs/dbraw/zinc/39/68/04/1098396804.db2.gz KERNOXLIMDBJEV-UHFFFAOYSA-N -1 1 329.291 2.536 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1CN[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001610348301 1098631255 /nfs/dbraw/zinc/63/12/55/1098631255.db2.gz XDRJUSVCTMTGBP-INIZCTEOSA-N -1 1 348.330 2.966 20 5 EFBDMM Cc1cnn(Cc2ccncc2)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393052 1102556480 /nfs/dbraw/zinc/55/64/80/1102556480.db2.gz MBPHUWKSAFXVBN-UHFFFAOYSA-N -1 1 325.328 2.992 20 5 EFBDMM COc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cc1 ZINC000154224520 1111997553 /nfs/dbraw/zinc/99/75/53/1111997553.db2.gz ZIPYBOIZFKFQJE-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000129304473 223042679 /nfs/dbraw/zinc/04/26/79/223042679.db2.gz HYGISDWJMJKYGU-LBPRGKRZSA-N -1 1 345.330 2.539 20 5 EFBDMM CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)n1 ZINC000191893522 239367311 /nfs/dbraw/zinc/36/73/11/239367311.db2.gz XUFNXJKXAXOZEQ-SNVBAGLBSA-N -1 1 330.344 2.671 20 5 EFBDMM O=C(NCC1(c2ccccc2Cl)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193779010 240125708 /nfs/dbraw/zinc/12/57/08/240125708.db2.gz JXNTTXFDZBDVHK-UHFFFAOYSA-N -1 1 347.758 2.810 20 5 EFBDMM O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])[N-]O[C@H]1CCCCO1 ZINC000265266112 247354022 /nfs/dbraw/zinc/35/40/22/247354022.db2.gz NBMQJLCPNCWZIT-AWEZNQCLSA-N -1 1 344.751 2.592 20 5 EFBDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)[nH]n2)o1 ZINC000442237784 250074348 /nfs/dbraw/zinc/07/43/48/250074348.db2.gz HJTGJFYPBVPXEO-UHFFFAOYSA-N -1 1 348.340 2.687 20 5 EFBDMM CCn1cc(S(=O)(=O)[N-]CC[C@H](C)CC(C)(C)C)c([N+](=O)[O-])n1 ZINC000442772748 250115425 /nfs/dbraw/zinc/11/54/25/250115425.db2.gz WBPOVCKPEUTBGB-NSHDSACASA-N -1 1 346.453 2.552 20 5 EFBDMM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000443935527 250238280 /nfs/dbraw/zinc/23/82/80/250238280.db2.gz OAJZCCPXAUAUTL-LDYMZIIASA-N -1 1 340.323 2.850 20 5 EFBDMM O=C(NCCCSc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444829067 250354276 /nfs/dbraw/zinc/35/42/76/250354276.db2.gz NUUZKOQWMDCKAU-UHFFFAOYSA-N -1 1 333.369 2.608 20 5 EFBDMM CC(C)CN(Cc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444998589 250373460 /nfs/dbraw/zinc/37/34/60/250373460.db2.gz RSWJRGWHCAIAAS-UHFFFAOYSA-N -1 1 329.356 2.994 20 5 EFBDMM Cc1ccccc1[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000445011486 250374937 /nfs/dbraw/zinc/37/49/37/250374937.db2.gz PXSOEEZOCVZBQR-OAHLLOKOSA-N -1 1 327.340 2.885 20 5 EFBDMM O=C(NCc1cc(Cl)sc1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445151187 250390103 /nfs/dbraw/zinc/39/01/03/250390103.db2.gz RFDIAIVLQUQJML-UHFFFAOYSA-N -1 1 348.167 2.994 20 5 EFBDMM Cc1ccc(-c2n[nH]c(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)n2)cc1 ZINC000028856602 292034007 /nfs/dbraw/zinc/03/40/07/292034007.db2.gz AFBKAHJFZCJQFM-UHFFFAOYSA-N -1 1 339.311 2.646 20 5 EFBDMM O=C(Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000344434727 142016109 /nfs/dbraw/zinc/01/61/09/142016109.db2.gz DKVKHOGGMWIRLG-CYBMUJFWSA-N -1 1 341.327 2.903 20 5 EFBDMM COCCOc1c(Cl)cccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000347847136 142281569 /nfs/dbraw/zinc/28/15/69/142281569.db2.gz ZPYMIBFMMYNDIM-UHFFFAOYSA-N -1 1 339.735 2.854 20 5 EFBDMM O=C(Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)Nc1ccccc1Cl ZINC000349843618 142366414 /nfs/dbraw/zinc/36/64/14/142366414.db2.gz LGFGEJYSNYWMNW-UHFFFAOYSA-N -1 1 347.718 2.808 20 5 EFBDMM O=C([N-]c1nnc(-c2ccccn2)s1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344218912 145395200 /nfs/dbraw/zinc/39/52/00/145395200.db2.gz TUJSADCWPYFYHT-UHFFFAOYSA-N -1 1 345.315 2.900 20 5 EFBDMM Cc1cccc(C)c1OC[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000344218837 145395209 /nfs/dbraw/zinc/39/52/09/145395209.db2.gz SMPJSRSBFNTFJO-LBPRGKRZSA-N -1 1 345.355 2.510 20 5 EFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c1 ZINC000351440976 146124276 /nfs/dbraw/zinc/12/42/76/146124276.db2.gz JGXDWBZOOZNQDI-UHFFFAOYSA-N -1 1 348.380 2.947 20 5 EFBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CCC(C(F)(F)F)CC1 ZINC000356587245 147284195 /nfs/dbraw/zinc/28/41/95/147284195.db2.gz YMTHLAQTFZFGOU-UHFFFAOYSA-N -1 1 347.293 2.889 20 5 EFBDMM O=C(NCc1ccc2sccc2c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000356680746 147308115 /nfs/dbraw/zinc/30/81/15/147308115.db2.gz PQWRDISCZSWMOU-UHFFFAOYSA-N -1 1 329.337 2.840 20 5 EFBDMM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000356701509 147313662 /nfs/dbraw/zinc/31/36/62/147313662.db2.gz NDAFJBGSANLIIM-ZCFIWIBFSA-N -1 1 346.714 2.725 20 5 EFBDMM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000356711685 147316046 /nfs/dbraw/zinc/31/60/46/147316046.db2.gz UWLXLSIFJNQHSH-ZCFIWIBFSA-N -1 1 346.714 2.725 20 5 EFBDMM COc1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1[N+](=O)[O-] ZINC000359838926 148204073 /nfs/dbraw/zinc/20/40/73/148204073.db2.gz WTIBXBBXVWWSAJ-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1[N+](=O)[O-] ZINC000359847059 148206791 /nfs/dbraw/zinc/20/67/91/148206791.db2.gz GPUWQIDVGBBVIH-UHFFFAOYSA-N -1 1 348.380 2.893 20 5 EFBDMM O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000360459968 148366761 /nfs/dbraw/zinc/36/67/61/148366761.db2.gz JUQFWEWRRDMLLY-KWQFWETISA-N -1 1 347.293 2.794 20 5 EFBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000271475238 265986576 /nfs/dbraw/zinc/98/65/76/265986576.db2.gz ZYPZBNGIEQLWAR-UHFFFAOYSA-N -1 1 346.315 2.673 20 5 EFBDMM Cc1ccccc1[C@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000277686445 267235008 /nfs/dbraw/zinc/23/50/08/267235008.db2.gz JGQSZESISWSBID-LBPRGKRZSA-N -1 1 327.340 2.634 20 5 EFBDMM O=C(N[C@H]1CCC[C@@H]1c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277812604 267269660 /nfs/dbraw/zinc/26/96/60/267269660.db2.gz XMWNGADJKVCSOB-KGLIPLIRSA-N -1 1 327.340 2.762 20 5 EFBDMM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278223851 267373259 /nfs/dbraw/zinc/37/32/59/267373259.db2.gz SKLBFNDPSIGBMC-OCCSQVGLSA-N -1 1 341.367 2.789 20 5 EFBDMM CCOC(=O)c1cnc(C(C)=Cc2ccc(C)c([N+](=O)[O-])c2)[n-]c1=O ZINC000188019704 273053805 /nfs/dbraw/zinc/05/38/05/273053805.db2.gz PTUMVPVTYFTNON-YRNVUSSQSA-N -1 1 343.339 2.724 20 5 EFBDMM COc1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)cc1[N+](=O)[O-] ZINC000277066581 273145404 /nfs/dbraw/zinc/14/54/04/273145404.db2.gz UWIVDBPLGHEPNG-GFCCVEGCSA-N -1 1 336.369 2.971 20 5 EFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC2CC2)c(Cl)cc1Cl ZINC000279491597 273221269 /nfs/dbraw/zinc/22/12/69/273221269.db2.gz PHWYIHKDWVTPCP-UHFFFAOYSA-N -1 1 325.173 2.590 20 5 EFBDMM Cc1ccc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)c(C)c1 ZINC000280633083 273348970 /nfs/dbraw/zinc/34/89/70/273348970.db2.gz RFTRTNSEYGWDNK-CYBMUJFWSA-N -1 1 341.367 2.942 20 5 EFBDMM O=C(N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000280646752 273350649 /nfs/dbraw/zinc/35/06/49/273350649.db2.gz SCVMBAMDSSUSON-SMDDNHRTSA-N -1 1 345.330 2.901 20 5 EFBDMM CC(C)[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ncon1 ZINC000286894868 274295395 /nfs/dbraw/zinc/29/53/95/274295395.db2.gz BHMXVAUFEDUIPM-LLVKDONJSA-N -1 1 340.286 2.583 20 5 EFBDMM O=C(N[C@H]1CCc2c1cccc2Cl)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000351827501 274994053 /nfs/dbraw/zinc/99/40/53/274994053.db2.gz LSXTYHPQWUXQBH-ZDUSSCGKSA-N -1 1 333.731 2.766 20 5 EFBDMM Cc1ccccc1[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000263735106 292697893 /nfs/dbraw/zinc/69/78/93/292697893.db2.gz UTRVCZZETGGSEO-LBPRGKRZSA-N -1 1 327.340 2.634 20 5 EFBDMM O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1c([O-])cccc1O ZINC000125750547 293015778 /nfs/dbraw/zinc/01/57/78/293015778.db2.gz UFKWHKHOPAKZMQ-UHFFFAOYSA-N -1 1 340.295 2.648 20 5 EFBDMM COc1ccccc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000133377101 293255310 /nfs/dbraw/zinc/25/53/10/293255310.db2.gz MUNNOZAHPQDQAN-UHFFFAOYSA-N -1 1 336.369 2.588 20 5 EFBDMM O=C(NCc1cc(C2CC2)ccc1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000295303712 295297283 /nfs/dbraw/zinc/29/72/83/295297283.db2.gz BSRLFOFBSHGPAC-UHFFFAOYSA-N -1 1 331.303 2.642 20 5 EFBDMM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000263094315 297216116 /nfs/dbraw/zinc/21/61/16/297216116.db2.gz UYIDRYMNXBNRHA-MWLCHTKSSA-N -1 1 344.314 2.739 20 5 EFBDMM CCN(CC)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000298874975 311030774 /nfs/dbraw/zinc/03/07/74/311030774.db2.gz ZSHJNBXABILJJB-UHFFFAOYSA-N -1 1 330.344 2.657 20 5 EFBDMM O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000298973249 311038621 /nfs/dbraw/zinc/03/86/21/311038621.db2.gz LNVUTQQAXYWOLH-UHFFFAOYSA-N -1 1 342.355 2.801 20 5 EFBDMM Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000299455434 311086402 /nfs/dbraw/zinc/08/64/02/311086402.db2.gz AWRCKFSIQZABCO-UHFFFAOYSA-N -1 1 342.355 2.720 20 5 EFBDMM O=C(Nc1cccc(CN2CCCCC2=O)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000299457462 311086830 /nfs/dbraw/zinc/08/68/30/311086830.db2.gz AOHBVKBQXQAADC-UHFFFAOYSA-N -1 1 342.355 2.688 20 5 EFBDMM Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000299508903 311091706 /nfs/dbraw/zinc/09/17/06/311091706.db2.gz XTIBRIJCFJZXSC-UHFFFAOYSA-N -1 1 344.371 2.869 20 5 EFBDMM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000443205537 312650704 /nfs/dbraw/zinc/65/07/04/312650704.db2.gz SYADGCWOOFSENA-KWQFWETISA-N -1 1 340.323 2.850 20 5 EFBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(F)F ZINC000451068350 312810845 /nfs/dbraw/zinc/81/08/45/312810845.db2.gz BOJRZADIXWVNNA-LURJTMIESA-N -1 1 328.724 2.570 20 5 EFBDMM CC[C@H](C)N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000516184575 315660428 /nfs/dbraw/zinc/66/04/28/315660428.db2.gz UGKKKYWKCHCEJV-JTQLQIEISA-N -1 1 341.795 2.510 20 5 EFBDMM CC(C)CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525176033 316194129 /nfs/dbraw/zinc/19/41/29/316194129.db2.gz GEDMPQDKABOFFY-QWHCGFSZSA-N -1 1 341.433 2.873 20 5 EFBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H](C)C1CCCCC1 ZINC000531129917 317223715 /nfs/dbraw/zinc/22/37/15/317223715.db2.gz QXVYLPKGICKDBW-NEPJUHHUSA-N -1 1 341.433 2.873 20 5 EFBDMM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000542756650 317824959 /nfs/dbraw/zinc/82/49/59/317824959.db2.gz XMPZWCRWQZBLSL-SNVBAGLBSA-N -1 1 340.323 2.850 20 5 EFBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)CCc2ccc3c(c2)CCO3)c1 ZINC000563497437 318789817 /nfs/dbraw/zinc/78/98/17/318789817.db2.gz ZGOSLYJAMCTUIX-UHFFFAOYSA-N -1 1 348.380 2.514 20 5 EFBDMM CN(Cc1cc(C(C)(C)C)[nH]n1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000566291081 319058413 /nfs/dbraw/zinc/05/84/13/319058413.db2.gz FICRDJKTLXDPJL-UHFFFAOYSA-N -1 1 332.360 2.950 20 5 EFBDMM O=C(NCc1c(Cl)cccc1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000567114001 319140027 /nfs/dbraw/zinc/14/00/27/319140027.db2.gz PRKZADWZEOYGDJ-UHFFFAOYSA-N -1 1 342.138 2.932 20 5 EFBDMM CN(C)[C@@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])c1ccsc1 ZINC000568516717 319291853 /nfs/dbraw/zinc/29/18/53/319291853.db2.gz LGQCIGCQGDHBAS-HNNXBMFYSA-N -1 1 349.412 2.998 20 5 EFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCCCC12CCCC2 ZINC000576203450 319992803 /nfs/dbraw/zinc/99/28/03/319992803.db2.gz BZTYQQPTODJJTP-CYBMUJFWSA-N -1 1 339.417 2.771 20 5 EFBDMM CN(Cc1cc(C(C)(C)C)[nH]n1)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000576587612 320030044 /nfs/dbraw/zinc/03/00/44/320030044.db2.gz INGKRNACBOIBHC-UHFFFAOYSA-N -1 1 332.360 2.950 20 5 EFBDMM CCc1nc(SCC(=O)Nc2ccccc2[N+](=O)[O-])[n-]c(=O)c1C ZINC000576838972 320054202 /nfs/dbraw/zinc/05/42/02/320054202.db2.gz VLNYAGIGCBLPEG-UHFFFAOYSA-N -1 1 348.384 2.692 20 5 EFBDMM Cc1cc(N2CCSC[C@H](C(=O)[O-])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000577853659 320151293 /nfs/dbraw/zinc/15/12/93/320151293.db2.gz PDDZOKKYUKBKNP-LLVKDONJSA-N -1 1 347.396 2.705 20 5 EFBDMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)c1 ZINC000007053296 471588035 /nfs/dbraw/zinc/58/80/35/471588035.db2.gz UHUQMKCMHGANRZ-UHFFFAOYSA-N -1 1 334.353 2.907 20 5 EFBDMM O=C(N[C@H]1CCSc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000015610891 471911645 /nfs/dbraw/zinc/91/16/45/471911645.db2.gz KKNSEMSEJPIOEW-LBPRGKRZSA-N -1 1 331.353 2.662 20 5 EFBDMM Cc1ccc(CSCCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000016497725 471939374 /nfs/dbraw/zinc/93/93/74/471939374.db2.gz RWFIYESVXNXKQK-UHFFFAOYSA-N -1 1 347.396 2.667 20 5 EFBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC000026543675 472142679 /nfs/dbraw/zinc/14/26/79/472142679.db2.gz HNIFVFUVYFLNPB-UHFFFAOYSA-N -1 1 334.353 2.639 20 5 EFBDMM CC(C)n1c(CNC(=O)CCc2cccc([N+](=O)[O-])c2)n[n-]c1=S ZINC000087335449 472326030 /nfs/dbraw/zinc/32/60/30/472326030.db2.gz RSNHOUVMIJMQNY-UHFFFAOYSA-N -1 1 349.416 2.679 20 5 EFBDMM COC(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])s2)c(F)cc1F ZINC000031027013 472358640 /nfs/dbraw/zinc/35/86/40/472358640.db2.gz XPSNKVQRRXZCJM-UHFFFAOYSA-N -1 1 342.279 2.973 20 5 EFBDMM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000154325534 472416956 /nfs/dbraw/zinc/41/69/56/472416956.db2.gz DJZRMKCNQYDYLQ-UHFFFAOYSA-N -1 1 346.364 2.862 20 5 EFBDMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000106006489 472815795 /nfs/dbraw/zinc/81/57/95/472815795.db2.gz MNPXKABVQYUKSA-SNVBAGLBSA-N -1 1 334.353 2.719 20 5 EFBDMM COCCc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1 ZINC000073743385 472866125 /nfs/dbraw/zinc/86/61/25/472866125.db2.gz ZVXPDTFHAQVJIV-UHFFFAOYSA-N -1 1 336.369 2.585 20 5 EFBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000158543816 472945134 /nfs/dbraw/zinc/94/51/34/472945134.db2.gz KBGMXKUOTCNNQZ-UHFFFAOYSA-N -1 1 328.296 2.982 20 5 EFBDMM CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092730253 472974048 /nfs/dbraw/zinc/97/40/48/472974048.db2.gz MBDPUCXDLQSCEG-UONOGXRCSA-N -1 1 349.431 2.817 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2c(Cl)cccc2C1 ZINC000185707661 473493221 /nfs/dbraw/zinc/49/32/21/473493221.db2.gz LJAQXHUNRGQNEV-UHFFFAOYSA-N -1 1 333.731 2.547 20 5 EFBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccncc2F)c1[N+](=O)[O-] ZINC000191781632 473576421 /nfs/dbraw/zinc/57/64/21/473576421.db2.gz SBZIPKJEAQKZGI-UHFFFAOYSA-N -1 1 325.321 2.547 20 5 EFBDMM COCCOc1ccc(Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000274007550 473701067 /nfs/dbraw/zinc/70/10/67/473701067.db2.gz ODQNAHTZBAFEMN-UHFFFAOYSA-N -1 1 344.327 2.589 20 5 EFBDMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000263094317 473742446 /nfs/dbraw/zinc/74/24/46/473742446.db2.gz UYIDRYMNXBNRHA-ONGXEEELSA-N -1 1 344.314 2.739 20 5 EFBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000186790029 473756614 /nfs/dbraw/zinc/75/66/14/473756614.db2.gz WBULESLZCDSWFQ-SECBINFHSA-N -1 1 327.296 2.933 20 5 EFBDMM Cc1ccc2c(c1)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CCC2 ZINC000193780270 473808078 /nfs/dbraw/zinc/80/80/78/473808078.db2.gz RVSMIIXSPKTQHT-AWEZNQCLSA-N -1 1 327.340 2.811 20 5 EFBDMM COc1cccc(F)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000187049674 473808659 /nfs/dbraw/zinc/80/86/59/473808659.db2.gz JYXCDCXRZDWUKY-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM CCO[C@@H]1C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C12CCCCC2 ZINC000187131573 473823833 /nfs/dbraw/zinc/82/38/33/473823833.db2.gz CAUZJLSKKAPMPN-UONOGXRCSA-N -1 1 349.387 2.553 20 5 EFBDMM C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Sc1ccccc1 ZINC000187142749 473825374 /nfs/dbraw/zinc/82/53/74/473825374.db2.gz GPKUTQQIUVCBIV-SNVBAGLBSA-N -1 1 333.369 2.606 20 5 EFBDMM Cc1ccc(C[C@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000187563730 473884010 /nfs/dbraw/zinc/88/40/10/473884010.db2.gz KMIWXHUGBPNKCV-OAHLLOKOSA-N -1 1 341.367 2.851 20 5 EFBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1C(=O)NC(C)C ZINC000264529090 474025493 /nfs/dbraw/zinc/02/54/93/474025493.db2.gz CPYJXBRLYLVHKY-UHFFFAOYSA-N -1 1 330.344 2.622 20 5 EFBDMM O=C(NCC1(Sc2ccccc2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188460520 474101280 /nfs/dbraw/zinc/10/12/80/474101280.db2.gz XTDNTSVLVADIKU-UHFFFAOYSA-N -1 1 345.380 2.750 20 5 EFBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000282540448 474104392 /nfs/dbraw/zinc/10/43/92/474104392.db2.gz DDUMTOJUTLOWJY-UHFFFAOYSA-N -1 1 342.352 2.621 20 5 EFBDMM CC(=O)N(Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1)C1CC1 ZINC000265588605 474262843 /nfs/dbraw/zinc/26/28/43/474262843.db2.gz XWFUCPWPERCYFG-UHFFFAOYSA-N -1 1 342.355 2.686 20 5 EFBDMM Cc1noc(C2CC2)c1[N-]C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000184075059 474468852 /nfs/dbraw/zinc/46/88/52/474468852.db2.gz PJMYCULDBHHFNE-UHFFFAOYSA-N -1 1 327.300 2.897 20 5 EFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000184091894 474471526 /nfs/dbraw/zinc/47/15/26/474471526.db2.gz VAXHQQVAPCCFQL-VIFPVBQESA-N -1 1 349.293 2.603 20 5 EFBDMM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000176525130 474492254 /nfs/dbraw/zinc/49/22/54/474492254.db2.gz RJFQBEOCUDKXHI-RISCZKNCSA-N -1 1 327.340 2.714 20 5 EFBDMM CC(C)=CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000190240855 474568286 /nfs/dbraw/zinc/56/82/86/474568286.db2.gz XQMWKBCNXLQAHR-UHFFFAOYSA-N -1 1 349.206 2.602 20 5 EFBDMM O=[N+]([O-])c1cccnc1N1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000296006539 475163102 /nfs/dbraw/zinc/16/31/02/475163102.db2.gz MCYUNWSVTBLXKZ-UHFFFAOYSA-N -1 1 348.790 2.671 20 5 EFBDMM Cc1oc2ccccc2c1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000345530108 475245294 /nfs/dbraw/zinc/24/52/94/475245294.db2.gz VXBSIRGGNHDBIX-UHFFFAOYSA-N -1 1 327.296 2.680 20 5 EFBDMM O=C(NCc1cc2ccccc2s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000357907118 475251148 /nfs/dbraw/zinc/25/11/48/475251148.db2.gz BETRCGPFPHUAPL-UHFFFAOYSA-N -1 1 329.337 2.840 20 5 EFBDMM CCc1nc(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])[n-]2)n[nH]1 ZINC000339576746 475318777 /nfs/dbraw/zinc/31/87/77/475318777.db2.gz MQPGDUYZWMAOKO-UHFFFAOYSA-N -1 1 326.316 2.523 20 5 EFBDMM O=C(N[C@H]1CC[C@H](c2ccccc2F)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000361346034 475373723 /nfs/dbraw/zinc/37/37/23/475373723.db2.gz LXJIDDPGFKRQIW-QWRGUYRKSA-N -1 1 345.330 2.901 20 5 EFBDMM CCSc1nnc([N-]C(=O)c2cccc([N+](=O)[O-])c2OC)s1 ZINC000354928704 475528528 /nfs/dbraw/zinc/52/85/28/475528528.db2.gz KSBPVNWQIPDTMW-UHFFFAOYSA-N -1 1 340.386 2.819 20 5 EFBDMM CCc1cccc2c1OCC[C@H]2NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000338139488 475619454 /nfs/dbraw/zinc/61/94/54/475619454.db2.gz FKULOFSKRLZDEE-CQSZACIVSA-N -1 1 343.339 2.511 20 5 EFBDMM Cc1nc(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])[n-]c(=O)c1C ZINC000346712692 475788552 /nfs/dbraw/zinc/78/85/52/475788552.db2.gz BTIHGDXGYFAJKW-SNVBAGLBSA-N -1 1 348.384 2.827 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000340241365 475883151 /nfs/dbraw/zinc/88/31/51/475883151.db2.gz WXRVERNTOBSVHR-UHFFFAOYSA-N -1 1 344.352 2.729 20 5 EFBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1C2CC3CC(C2)CC1C3 ZINC000361982081 475914177 /nfs/dbraw/zinc/91/41/77/475914177.db2.gz IPIKNFONUHXVBZ-UHFFFAOYSA-N -1 1 331.372 2.592 20 5 EFBDMM O=C(Nc1cc(Br)ccc1O)c1ccc([N+](=O)[O-])[n-]1 ZINC000340313343 475938926 /nfs/dbraw/zinc/93/89/26/475938926.db2.gz VUHBUCWLLRGFNW-UHFFFAOYSA-N -1 1 326.106 2.643 20 5 EFBDMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000358796833 475946137 /nfs/dbraw/zinc/94/61/37/475946137.db2.gz GDRNCQNRTBKVJR-UHFFFAOYSA-N -1 1 346.368 2.889 20 5 EFBDMM O=C(Nc1ccc(F)cc1[O-])c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000340329116 475951553 /nfs/dbraw/zinc/95/15/53/475951553.db2.gz UOMJJXSUDXQYRF-UHFFFAOYSA-N -1 1 342.286 2.878 20 5 EFBDMM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000362095365 475997040 /nfs/dbraw/zinc/99/70/40/475997040.db2.gz IITCFTVTBSNJSJ-LURJTMIESA-N -1 1 346.714 2.867 20 5 EFBDMM Cc1ccc(S(=O)(=O)[N-]c2cc3n[nH]cc3cc2C)cc1[N+](=O)[O-] ZINC000340673829 476197445 /nfs/dbraw/zinc/19/74/45/476197445.db2.gz MOTQLLHMIPWTCJ-UHFFFAOYSA-N -1 1 346.368 2.889 20 5 EFBDMM CCSc1nnc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)s1 ZINC000344269633 476202965 /nfs/dbraw/zinc/20/29/65/476202965.db2.gz ZMPOKWDBXHEXAZ-UHFFFAOYSA-N -1 1 328.350 2.950 20 5 EFBDMM CC[C@@H](NC(=O)c1ccccc1)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000347304788 476244764 /nfs/dbraw/zinc/24/47/64/476244764.db2.gz ZMMQQZFOHGGBSL-LLVKDONJSA-N -1 1 341.327 2.854 20 5 EFBDMM CCc1nc2ccccc2n1Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000350757435 476297847 /nfs/dbraw/zinc/29/78/47/476297847.db2.gz BPCSAZCTTDAQMO-UHFFFAOYSA-N -1 1 338.327 2.933 20 5 EFBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1c(F)cccc1Cl ZINC000357258784 476307356 /nfs/dbraw/zinc/30/73/56/476307356.db2.gz UEEIUUSKQARIAW-ZETCQYMHSA-N -1 1 339.710 2.979 20 5 EFBDMM O=C(N[C@H]1CC[C@H](c2cccc(F)c2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000360992530 476528643 /nfs/dbraw/zinc/52/86/43/476528643.db2.gz HISOCCHDABXBJW-AAEUAGOBSA-N -1 1 345.330 2.901 20 5 EFBDMM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000443205534 476710660 /nfs/dbraw/zinc/71/06/60/476710660.db2.gz SYADGCWOOFSENA-GZMMTYOYSA-N -1 1 340.323 2.850 20 5 EFBDMM Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000447651621 477029805 /nfs/dbraw/zinc/02/98/05/477029805.db2.gz ZELQZNCFBLXONY-UHFFFAOYSA-N -1 1 347.281 2.854 20 5 EFBDMM CC(C)(C)OC(=O)[C@@]1(C)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000453603513 477248356 /nfs/dbraw/zinc/24/83/56/477248356.db2.gz HZBVEKBNQSCAEH-KRWDZBQOSA-N -1 1 336.388 2.854 20 5 EFBDMM Cc1[nH]nc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])c1[N+](=O)[O-] ZINC000436800073 477592159 /nfs/dbraw/zinc/59/21/59/477592159.db2.gz SRVFCYLOPOJNLZ-UHFFFAOYSA-N -1 1 330.222 2.603 20 5 EFBDMM O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000439241871 477947029 /nfs/dbraw/zinc/94/70/29/477947029.db2.gz YKBPZVHFCFNDDR-IUCAKERBSA-N -1 1 347.293 2.794 20 5 EFBDMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(C)c([N+](=O)[O-])c1 ZINC000421137575 477976856 /nfs/dbraw/zinc/97/68/56/477976856.db2.gz GMYNIINQQWRGRF-CYBMUJFWSA-N -1 1 330.406 2.706 20 5 EFBDMM COc1ccc([C@@H](C)CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000439923199 478049806 /nfs/dbraw/zinc/04/98/06/478049806.db2.gz MUWGWESTCVZEEM-NSHDSACASA-N -1 1 345.355 2.628 20 5 EFBDMM COc1cc(C(=O)Nc2cccc([O-])c2F)cc([N+](=O)[O-])c1OC ZINC000536465191 478252728 /nfs/dbraw/zinc/25/27/28/478252728.db2.gz YRVRVSIPWKHRJD-UHFFFAOYSA-N -1 1 336.275 2.709 20 5 EFBDMM C[C@H]1CCc2ccccc2[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000539795973 478437776 /nfs/dbraw/zinc/43/77/76/478437776.db2.gz WXHBRPKWXWYWRZ-NHYWBVRUSA-N -1 1 347.396 2.592 20 5 EFBDMM CC[C@@H](Cc1ccc(F)cc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000597883817 478559255 /nfs/dbraw/zinc/55/92/55/478559255.db2.gz HEGYCJGLRHYIRJ-ZDUSSCGKSA-N -1 1 333.319 2.586 20 5 EFBDMM CO[C@H](CS(=O)(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1C)C(C)C ZINC000592350330 478865370 /nfs/dbraw/zinc/86/53/70/478865370.db2.gz LKSBBCRGVMAAQB-CQSZACIVSA-N -1 1 330.406 2.624 20 5 EFBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c(C)c1[N+](=O)[O-] ZINC000598709088 478985259 /nfs/dbraw/zinc/98/52/59/478985259.db2.gz JDZOSFGFKQVSMX-UHFFFAOYSA-N -1 1 348.380 2.947 20 5 EFBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)c(C)c1[N+](=O)[O-] ZINC000598734040 478995451 /nfs/dbraw/zinc/99/54/51/478995451.db2.gz IYZNXYILBIOSPS-UHFFFAOYSA-N -1 1 336.373 2.613 20 5 EFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H](c2ccco2)N2CCCC2)n1 ZINC000574695165 479332324 /nfs/dbraw/zinc/33/23/24/479332324.db2.gz ZKKZZMNUKRYEAY-ZDUSSCGKSA-N -1 1 346.343 2.530 20 5 EFBDMM Cc1oc(CN(C)CCOc2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000593743460 479443064 /nfs/dbraw/zinc/44/30/64/479443064.db2.gz ZIHZPBNHMJNDTF-UHFFFAOYSA-N -1 1 334.328 2.705 20 5 EFBDMM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000603958680 479457926 /nfs/dbraw/zinc/45/79/26/479457926.db2.gz JRJNQQPKQWMSMC-CMPLNLGQSA-N -1 1 336.369 2.790 20 5 EFBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C)cc1F ZINC000619466322 479802167 /nfs/dbraw/zinc/80/21/67/479802167.db2.gz NMVGFBKPQULNLS-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM O=C(Nc1cc(CCc2ccccc2)[nH]n1)c1ccc([N+](=O)[O-])[n-]1 ZINC000610124871 480240923 /nfs/dbraw/zinc/24/09/23/480240923.db2.gz GDHFWXGDOUSJFH-UHFFFAOYSA-N -1 1 325.328 2.684 20 5 EFBDMM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1coc(C2CC2)n1 ZINC000614395028 480294869 /nfs/dbraw/zinc/29/48/69/480294869.db2.gz GVFQAQUBQKEPCR-UHFFFAOYSA-N -1 1 345.311 2.874 20 5 EFBDMM CCCN(Cc1ccc(OC)cc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618347436 480629050 /nfs/dbraw/zinc/62/90/50/480629050.db2.gz JOZALXPFTHPJPM-UHFFFAOYSA-N -1 1 345.355 2.756 20 5 EFBDMM CC(C)(C)Oc1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000618362188 480643664 /nfs/dbraw/zinc/64/36/64/480643664.db2.gz JDKRQYHFCLNQEC-UHFFFAOYSA-N -1 1 345.355 2.803 20 5 EFBDMM O=C(NC1(c2ccc(F)cc2)CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618370094 480645966 /nfs/dbraw/zinc/64/59/66/480645966.db2.gz YEYLHLWDDSHJFI-UHFFFAOYSA-N -1 1 331.303 2.644 20 5 EFBDMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c1 ZINC000119679390 518461946 /nfs/dbraw/zinc/46/19/46/518461946.db2.gz FXOHGZUTQJAGBY-UHFFFAOYSA-N -1 1 334.353 2.907 20 5 EFBDMM CC(C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1F ZINC000187057436 527166138 /nfs/dbraw/zinc/16/61/38/527166138.db2.gz LHYRWFKVGQKREM-UHFFFAOYSA-N -1 1 333.319 2.542 20 5 EFBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)c1 ZINC000074850835 527393502 /nfs/dbraw/zinc/39/35/02/527393502.db2.gz KMQJJOOYSISPSI-UHFFFAOYSA-N -1 1 344.352 2.581 20 5 EFBDMM O=C([N-]c1n[nH]c(-c2ccccn2)n1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000064372412 527502043 /nfs/dbraw/zinc/50/20/43/527502043.db2.gz YZLKMAOXAOJQBN-UHFFFAOYSA-N -1 1 344.718 2.681 20 5 EFBDMM CC(C)Oc1cccc([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000186944212 528240284 /nfs/dbraw/zinc/24/02/84/528240284.db2.gz WKJOKPNDGXQCOB-LLVKDONJSA-N -1 1 345.355 2.974 20 5 EFBDMM CCOc1cccc([C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000187039288 528689790 /nfs/dbraw/zinc/68/97/90/528689790.db2.gz PQDUWQXKVXLJDO-JTQLQIEISA-N -1 1 331.328 2.585 20 5 EFBDMM CCC(CC)c1cc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)on1 ZINC000174051193 528883335 /nfs/dbraw/zinc/88/33/35/528883335.db2.gz PDHSGKKEYLLPRV-UHFFFAOYSA-N -1 1 334.332 2.517 20 5 EFBDMM CCC(CC)c1cc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)on1 ZINC000187134132 528883939 /nfs/dbraw/zinc/88/39/39/528883939.db2.gz DSKCHKPRVJUKGH-UHFFFAOYSA-N -1 1 334.332 2.517 20 5 EFBDMM CCCCc1cc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000183385075 529017815 /nfs/dbraw/zinc/01/78/15/529017815.db2.gz XMPZXEPUXBOXPM-UHFFFAOYSA-N -1 1 338.389 2.602 20 5 EFBDMM Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[nH]nc1C1CC1 ZINC000760318309 576004382 /nfs/dbraw/zinc/00/43/82/576004382.db2.gz BFMXDOVQZDJELB-UHFFFAOYSA-N -1 1 336.373 2.613 20 5 EFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC(F)(F)C1 ZINC000763377618 576374863 /nfs/dbraw/zinc/37/48/63/576374863.db2.gz GBMCQTNRFMBVGO-MRVPVSSYSA-N -1 1 340.735 2.714 20 5 EFBDMM Cn1[n-]c(COC(=O)c2c3ccccc3cc3ccccc32)nc1=O ZINC000765398612 577038275 /nfs/dbraw/zinc/03/82/75/577038275.db2.gz KOSHNGBDOCZGNZ-UHFFFAOYSA-N -1 1 333.347 2.772 20 5 EFBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccn1 ZINC000768834211 577307280 /nfs/dbraw/zinc/30/72/80/577307280.db2.gz QIRILSUNHLXKDG-CYBMUJFWSA-N -1 1 341.414 2.727 20 5 EFBDMM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)CC2 ZINC000768838959 577308107 /nfs/dbraw/zinc/30/81/07/577308107.db2.gz YVFJFYGHTKZHDJ-ZDUSSCGKSA-N -1 1 338.410 2.931 20 5 EFBDMM CCc1ccccc1NC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769045107 577327220 /nfs/dbraw/zinc/32/72/20/577327220.db2.gz FFFHZCKMXHTAEI-UHFFFAOYSA-N -1 1 344.323 2.658 20 5 EFBDMM Cc1ccc(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1C ZINC000769045764 577327517 /nfs/dbraw/zinc/32/75/17/577327517.db2.gz IBZUYJTWGYSVEX-UHFFFAOYSA-N -1 1 329.308 2.957 20 5 EFBDMM CC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1OC ZINC000770199203 577406523 /nfs/dbraw/zinc/40/65/23/577406523.db2.gz IFNAEFBTNFYZJO-GFCCVEGCSA-N -1 1 331.328 2.585 20 5 EFBDMM C[C@H](Cc1ccccc1Cl)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770225516 577407790 /nfs/dbraw/zinc/40/77/90/577407790.db2.gz VZODMEMIMOHQCT-SECBINFHSA-N -1 1 335.747 2.710 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1CN[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738068660 577427326 /nfs/dbraw/zinc/42/73/26/577427326.db2.gz NLRHPDDVHMXHIU-OAHLLOKOSA-N -1 1 334.303 2.658 20 5 EFBDMM C[C@H](OC(=O)c1ccc([O-])cc1F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000773583638 581447993 /nfs/dbraw/zinc/44/79/93/581447993.db2.gz PKFZASOLHYDIMX-VIFPVBQESA-N -1 1 348.286 2.624 20 5 EFBDMM O=C([O-])C[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000821516330 598152020 /nfs/dbraw/zinc/15/20/20/598152020.db2.gz QMZOIGACPWSYHY-JTQLQIEISA-N -1 1 344.314 2.883 20 5 EFBDMM CCO[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C12CCC2 ZINC000821358159 607346124 /nfs/dbraw/zinc/34/61/24/607346124.db2.gz HTIYAQFBGIRUTC-ZIAGYGMSSA-N -1 1 344.375 2.535 20 5 EFBDMM O=C([O-])CN(Cc1cccc([N+](=O)[O-])c1)Cc1ccc(F)c(F)c1 ZINC000739796509 599865102 /nfs/dbraw/zinc/86/51/02/599865102.db2.gz LGMYQOMHOXRBNT-UHFFFAOYSA-N -1 1 336.294 2.960 20 5 EFBDMM Cc1cc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)ccc1F ZINC000826266887 607450680 /nfs/dbraw/zinc/45/06/80/607450680.db2.gz GOIZBMVYDMTAGN-UHFFFAOYSA-N -1 1 328.307 2.835 20 5 EFBDMM Cc1cc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)ccc1F ZINC000826266887 607450681 /nfs/dbraw/zinc/45/06/81/607450681.db2.gz GOIZBMVYDMTAGN-UHFFFAOYSA-N -1 1 328.307 2.835 20 5 EFBDMM COc1ccc([C@H](NCc2ccc([N+](=O)[O-])cc2F)C(=O)[O-])cc1 ZINC000832253396 601353626 /nfs/dbraw/zinc/35/36/26/601353626.db2.gz YDOGZKJUQOQUAN-HNNXBMFYSA-N -1 1 334.303 2.658 20 5 EFBDMM O=C([O-])N1CC(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000833278563 604420738 /nfs/dbraw/zinc/42/07/38/604420738.db2.gz VWBBWEGVCPFVCK-UHFFFAOYSA-N -1 1 333.369 2.775 20 5 EFBDMM CC1=C(C(=O)[O-])C[C@@H](CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000833584603 605357870 /nfs/dbraw/zinc/35/78/70/605357870.db2.gz QIZLLLHHYBVLHG-HNNXBMFYSA-N -1 1 332.356 2.707 20 5 EFBDMM CC1=C(C(=O)[O-])C[C@@H](CN(Cc2ccccc2[N+](=O)[O-])C2CC2)O1 ZINC000833585336 605370786 /nfs/dbraw/zinc/37/07/86/605370786.db2.gz WKGSUEJXABDQDQ-AWEZNQCLSA-N -1 1 332.356 2.707 20 5 EFBDMM O=[N+]([O-])c1ccc(-c2noc(-c3ccc(-c4nnn[n-]4)s3)n2)cc1 ZINC000823634459 606620233 /nfs/dbraw/zinc/62/02/33/606620233.db2.gz GEOLIBOQVPBWOU-UHFFFAOYSA-N -1 1 341.312 2.553 20 5 EFBDMM O=[N+]([O-])c1ccc(-c2noc(-c3ccc(-c4nn[n-]n4)s3)n2)cc1 ZINC000823634459 606620235 /nfs/dbraw/zinc/62/02/35/606620235.db2.gz GEOLIBOQVPBWOU-UHFFFAOYSA-N -1 1 341.312 2.553 20 5 EFBDMM C[C@@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1c(F)cccc1F ZINC000820461183 606699067 /nfs/dbraw/zinc/69/90/67/606699067.db2.gz FTALWFNQYFGVEY-SSDOTTSWSA-N -1 1 347.285 2.621 20 5 EFBDMM C[C@@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1c(F)cccc1F ZINC000820461183 606699068 /nfs/dbraw/zinc/69/90/68/606699068.db2.gz FTALWFNQYFGVEY-SSDOTTSWSA-N -1 1 347.285 2.621 20 5 EFBDMM Cc1ccc2c(c1)[C@@H](Nc1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])CC2 ZINC000822275027 606708602 /nfs/dbraw/zinc/70/86/02/606708602.db2.gz NMHWJLOGKJLMJF-ZDUSSCGKSA-N -1 1 337.343 2.578 20 5 EFBDMM Cc1ccc2c(c1)[C@@H](Nc1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])CC2 ZINC000822275027 606708603 /nfs/dbraw/zinc/70/86/03/606708603.db2.gz NMHWJLOGKJLMJF-ZDUSSCGKSA-N -1 1 337.343 2.578 20 5 EFBDMM Cc1ccccc1[C@@H](C)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822345678 607166246 /nfs/dbraw/zinc/16/62/46/607166246.db2.gz OTHVXIABPLEVKH-SNVBAGLBSA-N -1 1 325.332 2.651 20 5 EFBDMM Cc1ccccc1[C@@H](C)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822345678 607166248 /nfs/dbraw/zinc/16/62/48/607166248.db2.gz OTHVXIABPLEVKH-SNVBAGLBSA-N -1 1 325.332 2.651 20 5 EFBDMM Cc1cc(COC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1[N+](=O)[O-] ZINC000826267421 609284306 /nfs/dbraw/zinc/28/43/06/609284306.db2.gz FDMYOQPJUKXMAN-UHFFFAOYSA-N -1 1 345.340 2.502 20 5 EFBDMM Cc1cc(COC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1[N+](=O)[O-] ZINC000826267421 609284308 /nfs/dbraw/zinc/28/43/08/609284308.db2.gz FDMYOQPJUKXMAN-UHFFFAOYSA-N -1 1 345.340 2.502 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@]23C[C@H]2CCC3)cc1Cl ZINC000922089767 1264343490 /nfs/dbraw/zinc/34/34/90/1264343490.db2.gz IPRJWHVVFAZKQK-JMCQJSRRSA-N -1 1 334.756 2.608 20 5 EFBDMM C[C@H]1CCC[C@H](C)C1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000735082033 1267198715 /nfs/dbraw/zinc/19/87/15/1267198715.db2.gz MYCUOMOYYDPLJE-UWVGGRQHSA-N -1 1 330.381 2.837 20 5 EFBDMM Cc1ccsc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000157117758 1267482508 /nfs/dbraw/zinc/48/25/08/1267482508.db2.gz RGGJKUVFZROIJB-UHFFFAOYSA-N -1 1 330.362 2.582 20 5 EFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1C[C@H]1C1CCCCC1 ZINC000742314261 1269995273 /nfs/dbraw/zinc/99/52/73/1269995273.db2.gz XQARGRLVOFDMOQ-AAEUAGOBSA-N -1 1 342.392 2.981 20 5 EFBDMM Cc1cc([N+](=O)[O-])c(OC(C)C)cc1Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170230813 1278914920 /nfs/dbraw/zinc/91/49/20/1278914920.db2.gz YGLPDMQNAHIWDD-UHFFFAOYSA-N -1 1 344.331 2.806 20 5 EFBDMM O=c1nc2nc[nH]c2c(Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)[n-]1 ZINC001170234725 1278921291 /nfs/dbraw/zinc/92/12/91/1278921291.db2.gz XPUVUEPDMIOIII-UHFFFAOYSA-N -1 1 340.221 2.729 20 5 EFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)cs1 ZINC000788918613 1276401452 /nfs/dbraw/zinc/40/14/52/1276401452.db2.gz WWLTZJDOKHHVIX-UHFFFAOYSA-N -1 1 348.352 2.727 20 5 EFBDMM COc1ccc(CC(=O)Nc2nc(Cl)ccc2[O-])cc1[N+](=O)[O-] ZINC000790051121 1277219720 /nfs/dbraw/zinc/21/97/20/1277219720.db2.gz LXDGJXPLBLVNPK-UHFFFAOYSA-N -1 1 337.719 2.539 20 5 EFBDMM C[C@]1(C(=O)[O-])CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923245357 1277342570 /nfs/dbraw/zinc/34/25/70/1277342570.db2.gz VAYJWPWRNSSJFY-ZDUSSCGKSA-N -1 1 343.177 2.654 20 5 EFBDMM CCN(Cc1cc([N+](=O)[O-])ccc1Br)[C@@H](C)C(=O)[O-] ZINC000923252997 1277382018 /nfs/dbraw/zinc/38/20/18/1277382018.db2.gz GDUXVUIQRZAQDH-QMMMGPOBSA-N -1 1 331.166 2.652 20 5 EFBDMM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815036137 1287282649 /nfs/dbraw/zinc/28/26/49/1287282649.db2.gz RKDOJXGGZNHRJQ-HTQZYQBOSA-N -1 1 336.772 2.854 20 5 EFBDMM CCc1[n-]n(-c2cc([N+](=O)[O-])ccc2Br)c(=O)c1F ZINC000871959944 1287376274 /nfs/dbraw/zinc/37/62/74/1287376274.db2.gz QXTLXVCCEYPUEG-JTQLQIEISA-N -1 1 330.113 2.808 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C2(C3CCC3)CC2)cc1Cl ZINC000845998241 1279967786 /nfs/dbraw/zinc/96/77/86/1279967786.db2.gz JSIDCRBHYRZHOY-UHFFFAOYSA-N -1 1 348.783 2.998 20 5 EFBDMM Cc1ccc(CN(C)Cc2ccc(OCC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000872160915 1287453295 /nfs/dbraw/zinc/45/32/95/1287453295.db2.gz PRTFDROZJWWQIY-UHFFFAOYSA-N -1 1 344.367 2.999 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCc2ccco2)cc1Cl ZINC000809831295 1282492147 /nfs/dbraw/zinc/49/21/47/1282492147.db2.gz BTSYWBOQZNVGPE-UHFFFAOYSA-N -1 1 348.739 2.501 20 5 EFBDMM CC(C)([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1 ZINC000809821671 1282516598 /nfs/dbraw/zinc/51/65/98/1282516598.db2.gz PTCWZTVOOHSBFB-UHFFFAOYSA-N -1 1 336.772 2.854 20 5 EFBDMM Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811856248 1284695256 /nfs/dbraw/zinc/69/52/56/1284695256.db2.gz MCPKNWWCUOXKEJ-NSHDSACASA-N -1 1 345.321 2.798 20 5 EFBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc3cc(Cl)ccn3n2)c1 ZINC000813258984 1285767272 /nfs/dbraw/zinc/76/72/72/1285767272.db2.gz WSBOFRNRKBZUCT-UHFFFAOYSA-N -1 1 347.718 2.552 20 5 EFBDMM COC(=O)[C@H]([N-]c1ccc2ncccc2c1[N+](=O)[O-])C(F)(F)F ZINC001171016049 1289296427 /nfs/dbraw/zinc/29/64/27/1289296427.db2.gz XHIRKAPHLAGGIV-NSHDSACASA-N -1 1 329.234 2.659 20 5 EFBDMM O=C1CCCc2cc(-c3noc(-c4[n-]cnc4[N+](=O)[O-])n3)ccc21 ZINC001212892966 1290622965 /nfs/dbraw/zinc/62/29/65/1290622965.db2.gz GEWCVDICECDGLB-UHFFFAOYSA-N -1 1 325.284 2.554 20 5 EFBDMM C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879766157 1292264046 /nfs/dbraw/zinc/26/40/46/1292264046.db2.gz VUAIBFUCHNMOFK-HZMBPMFUSA-N -1 1 345.321 2.799 20 5 EFBDMM C=CC(=O)OC[C@@H](C)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233499709 1312944318 /nfs/dbraw/zinc/94/43/18/1312944318.db2.gz PQHDGOJYHILQIF-SSDOTTSWSA-N -1 1 325.708 2.621 20 5 EFBDMM CCOC(=O)[C@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)C1CC1 ZINC001233505886 1312946560 /nfs/dbraw/zinc/94/65/60/1312946560.db2.gz JBHWYNOITHZLFX-GFCCVEGCSA-N -1 1 339.735 2.845 20 5 EFBDMM COC[C@H](C)OC[C@H](C)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233505770 1312946909 /nfs/dbraw/zinc/94/69/09/1312946909.db2.gz GFWVNYGGWUNNED-IUCAKERBSA-N -1 1 343.767 2.943 20 5 EFBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(O)c1 ZINC000132356668 1293652929 /nfs/dbraw/zinc/65/29/29/1293652929.db2.gz FBSHOADNMUUBNP-UHFFFAOYSA-N -1 1 326.305 2.549 20 5 EFBDMM O=c1c2c(O)ccc(O)c2oc2cc([O-])cc(OC[C@H]3CCCO3)c12 ZINC001234125144 1313061828 /nfs/dbraw/zinc/06/18/28/1313061828.db2.gz NJEAVEPSCZOODC-SNVBAGLBSA-N -1 1 344.319 2.621 20 5 EFBDMM COC(=O)c1ccc(C(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)[n-]1 ZINC000796347602 1294522625 /nfs/dbraw/zinc/52/26/25/1294522625.db2.gz YTHFNSUTRWSYOD-UHFFFAOYSA-N -1 1 338.703 2.720 20 5 EFBDMM COC(=O)c1ccc(C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)[n-]1 ZINC000796363956 1294552389 /nfs/dbraw/zinc/55/23/89/1294552389.db2.gz YDCAJJAQILEABB-UHFFFAOYSA-N -1 1 338.703 2.720 20 5 EFBDMM CC(C)OC(=O)COc1cc([O-])cc2oc3ccc(O)cc3c(=O)c12 ZINC001234743423 1313187793 /nfs/dbraw/zinc/18/77/93/1313187793.db2.gz DACLANNLYOQLJV-UHFFFAOYSA-N -1 1 344.319 2.688 20 5 EFBDMM O=c1c2ccc(O)c(O[C@@H]3CCCOC3)c2oc2cc([O-])cc(O)c12 ZINC001234750721 1313188592 /nfs/dbraw/zinc/18/85/92/1313188592.db2.gz NISKCXXITWKMAR-SNVBAGLBSA-N -1 1 344.319 2.621 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C/C=C\C1CC1 ZINC001324267870 1329612504 /nfs/dbraw/zinc/61/25/04/1329612504.db2.gz RGZBHEDUGZCFRT-UPHRSURJSA-N -1 1 334.756 2.632 20 5 EFBDMM COC(=O)c1sc2nccnc2c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393760 1314325427 /nfs/dbraw/zinc/32/54/27/1314325427.db2.gz IEGUGVTVKFESGB-UHFFFAOYSA-N -1 1 346.324 2.835 20 5 EFBDMM COC(=O)c1cc2c(ccn2-c2ccc([O-])c([N+](=O)[O-])c2)c(N)c1 ZINC001210398106 1314326743 /nfs/dbraw/zinc/32/67/43/1314326743.db2.gz QLIAFSQSIHNAEY-UHFFFAOYSA-N -1 1 327.296 2.613 20 5 EFBDMM CC(=O)Nc1cccc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000780067554 1310897608 /nfs/dbraw/zinc/89/76/08/1310897608.db2.gz HRCIQTBQSYTBJR-UHFFFAOYSA-N -1 1 330.296 2.616 20 5 EFBDMM COc1ccc(COCCOC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000780073094 1311087007 /nfs/dbraw/zinc/08/70/07/1311087007.db2.gz YCMZHSJZSJGULF-UHFFFAOYSA-N -1 1 347.323 2.683 20 5 EFBDMM COc1ccc(OCCCOC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000780074813 1311106268 /nfs/dbraw/zinc/10/62/68/1311106268.db2.gz ICHGQNROMWITPS-UHFFFAOYSA-N -1 1 347.323 2.935 20 5 EFBDMM Cc1cc(=O)oc2cc([O-])cc(O[C@H](C[N+](=O)[O-])c3cccnc3)c12 ZINC001226486466 1311675905 /nfs/dbraw/zinc/67/59/05/1311675905.db2.gz QBYRHFADSXSPCR-OAHLLOKOSA-N -1 1 342.307 2.599 20 5 EFBDMM O=c1c2cc(O[C@@H]3CCOC[C@H]3F)c([O-])cc2oc2cccc(O)c12 ZINC001227310152 1311792139 /nfs/dbraw/zinc/79/21/39/1311792139.db2.gz TXRGKJHLHRZTOG-ZWNOBZJWSA-N -1 1 346.310 2.863 20 5 EFBDMM Cc1ccc(C(=O)c2cc([O-])c(OC3COC3)c([N+](=O)[O-])c2)cc1 ZINC001227700135 1311841595 /nfs/dbraw/zinc/84/15/95/1311841595.db2.gz NCECJNGNVXJBLG-UHFFFAOYSA-N -1 1 329.308 2.617 20 5 EFBDMM Cc1ccc(C(=O)c2cc([O-])c(OC3CC(=O)C3)c([N+](=O)[O-])c2)cc1 ZINC001227703066 1311842082 /nfs/dbraw/zinc/84/20/82/1311842082.db2.gz TYNRBVRJAHXILT-UHFFFAOYSA-N -1 1 341.319 2.950 20 5 EFBDMM CN(CCc1cccc([N+](=O)[O-])c1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000802658202 1311892609 /nfs/dbraw/zinc/89/26/09/1311892609.db2.gz OCCGMKXMOUZRQT-UHFFFAOYSA-N -1 1 331.328 2.883 20 5 EFBDMM COc1ccccc1[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])C(F)(F)F ZINC001228140052 1311905712 /nfs/dbraw/zinc/90/57/12/1311905712.db2.gz FHQKMQDGLHDWQD-JTQLQIEISA-N -1 1 345.233 2.781 20 5 EFBDMM C[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1cc(-c2ccccc2)no1 ZINC001228141913 1311906538 /nfs/dbraw/zinc/90/65/38/1311906538.db2.gz WXDGAYZFEWWCRA-SECBINFHSA-N -1 1 328.284 2.885 20 5 EFBDMM Cc1nc(O[C@@H]2CCCc3c(Cl)ccnc32)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229379631 1312086125 /nfs/dbraw/zinc/08/61/25/1312086125.db2.gz WKLMIEPYSFSJGE-SNVBAGLBSA-N -1 1 336.735 2.904 20 5 EFBDMM O=[N+]([O-])c1ccc([O-])c(OC[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC001229395343 1312088159 /nfs/dbraw/zinc/08/81/59/1312088159.db2.gz HFJAEECRKOZGJW-INIZCTEOSA-N -1 1 344.367 2.580 20 5 EFBDMM CC[C@@H](Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O)C(=O)OC ZINC001229515535 1312108443 /nfs/dbraw/zinc/10/84/43/1312108443.db2.gz VCWXSKHIAQNNJC-CQSZACIVSA-N -1 1 328.320 2.982 20 5 EFBDMM CC1(C)COC(=O)[C@@H]1Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229513851 1312108751 /nfs/dbraw/zinc/10/87/51/1312108751.db2.gz BWEROSSYXZFQCO-KRWDZBQOSA-N -1 1 340.331 2.982 20 5 EFBDMM COCC(COC)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229519132 1312109001 /nfs/dbraw/zinc/10/90/01/1312109001.db2.gz YOXCPZAOBRCQDK-UHFFFAOYSA-N -1 1 330.336 2.692 20 5 EFBDMM COC(=O)C[C@@H](C)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229517800 1312109252 /nfs/dbraw/zinc/10/92/52/1312109252.db2.gz QIAZELLLSBNBAX-SNVBAGLBSA-N -1 1 328.320 2.982 20 5 EFBDMM O=c1oc2cc([O-])ccc2c2cc(O[C@H]3CCOC[C@H]3F)c(O)cc12 ZINC001229804843 1312142696 /nfs/dbraw/zinc/14/26/96/1312142696.db2.gz FTBNWFZPYYDHPU-HIFRSBDPSA-N -1 1 346.310 2.863 20 5 EFBDMM O=[N+]([O-])C[C@@H](Oc1cccnc1-c1ncccc1[O-])c1cccnc1 ZINC001231199105 1312452703 /nfs/dbraw/zinc/45/27/03/1312452703.db2.gz AQYZCZSOBRXPEZ-OAHLLOKOSA-N -1 1 338.323 2.641 20 5 EFBDMM Cc1ncc([N+](=O)[O-])cc1Nc1ncc(Br)cc1[O-] ZINC001248747287 1314957937 /nfs/dbraw/zinc/95/79/37/1314957937.db2.gz VIORBBRLAQHJKI-UHFFFAOYSA-N -1 1 325.122 2.905 20 5 EFBDMM C[C@@H]1CC[NH2+]C[C@@H]1Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001218481226 1315203018 /nfs/dbraw/zinc/20/30/18/1315203018.db2.gz NGWBGGQBFMUEIG-QGHHPUGFSA-N -1 1 341.363 2.734 20 5 EFBDMM COc1cc(-c2nc3cc4c(cc3[nH]2)OCC4)cc([N+](=O)[O-])c1[O-] ZINC001250874975 1315285659 /nfs/dbraw/zinc/28/56/59/1315285659.db2.gz TXYMENJMGSPQAR-UHFFFAOYSA-N -1 1 327.296 2.787 20 5 EFBDMM Cc1ccccc1C1([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000827877833 1316025120 /nfs/dbraw/zinc/02/51/20/1316025120.db2.gz ZWODFUOVTDUZNR-UHFFFAOYSA-N -1 1 338.410 2.932 20 5 EFBDMM CC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC001324094591 1329599070 /nfs/dbraw/zinc/59/90/70/1329599070.db2.gz CLLWUGJDRHLHKC-UHFFFAOYSA-N -1 1 325.173 2.732 20 5 EFBDMM CC(C)N(C)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000848329465 1334651817 /nfs/dbraw/zinc/65/18/17/1334651817.db2.gz QFXBDGSAMHYSEQ-UHFFFAOYSA-N -1 1 330.344 2.656 20 5 EFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2C=CCC2)c1Cl ZINC000849428052 1335613722 /nfs/dbraw/zinc/61/37/22/1335613722.db2.gz PFIYCDIKLSCEIN-SSDOTTSWSA-N -1 1 337.184 2.899 20 5 EFBDMM O=[N+]([O-])c1cc(N[C@@H](CCO)C2CCCCC2)ccc1-c1nnn[n-]1 ZINC000823634090 1428975370 /nfs/dbraw/zinc/97/53/70/1428975370.db2.gz AREZCXOAXQHGIU-AWEZNQCLSA-N -1 1 346.391 2.518 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000823620528 1429028149 /nfs/dbraw/zinc/02/81/49/1429028149.db2.gz MSCURGCFIGTBCY-IJLUTSLNSA-N -1 1 343.391 2.941 20 5 EFBDMM COC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000821683793 1429033070 /nfs/dbraw/zinc/03/30/70/1429033070.db2.gz KHLRQLGSAIZQME-HNNXBMFYSA-N -1 1 340.343 2.575 20 5 EFBDMM Cc1ccc(CNCc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000737341254 1429046656 /nfs/dbraw/zinc/04/66/56/1429046656.db2.gz DVLGDDFYPPAAKP-UHFFFAOYSA-N -1 1 342.334 2.512 20 5 EFBDMM O=[N+]([O-])c1cnc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)c(-c2nnn[n-]2)c1 ZINC000823651976 1429071915 /nfs/dbraw/zinc/07/19/15/1429071915.db2.gz ULINSBLLKBJPLZ-OUAUKWLOSA-N -1 1 329.364 2.551 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCC[C@H]1CCCC[C@@H]1O ZINC000823630469 1429186702 /nfs/dbraw/zinc/18/67/02/1429186702.db2.gz XIUFNGRBKQQDOB-ABAIWWIYSA-N -1 1 346.391 2.518 20 5 EFBDMM COCC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccco1 ZINC000826155246 1423259677 /nfs/dbraw/zinc/25/96/77/1423259677.db2.gz KLHSYLVNLOZONY-ZDUSSCGKSA-N -1 1 344.331 2.558 20 5 EFBDMM C[C@H](OC(=O)c1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000824722995 1423490013 /nfs/dbraw/zinc/49/00/13/1423490013.db2.gz LSWLPLURBHZWPW-JTQLQIEISA-N -1 1 339.311 2.693 20 5 EFBDMM C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513134 1423624460 /nfs/dbraw/zinc/62/44/60/1423624460.db2.gz VMKWZBOLKPVRTD-JTQLQIEISA-N -1 1 339.311 2.693 20 5 EFBDMM Cc1cc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1Cl ZINC000822212012 1424148825 /nfs/dbraw/zinc/14/88/25/1424148825.db2.gz YQPNHWZOSUTVJC-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM CCC[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1nnn[n-]1 ZINC000136639222 1424283343 /nfs/dbraw/zinc/28/33/43/1424283343.db2.gz VBCLKFUBPYEHJN-LBPRGKRZSA-N -1 1 346.391 2.677 20 5 EFBDMM Cc1ccncc1[C@@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826315850 1424844196 /nfs/dbraw/zinc/84/41/96/1424844196.db2.gz WNMJEQWCWSCBMB-SNVBAGLBSA-N -1 1 325.332 2.651 20 5 EFBDMM Cc1ccc(OCc2cccc(-c3nnn[n-]3)c2F)cc1[N+](=O)[O-] ZINC000826291982 1424968021 /nfs/dbraw/zinc/96/80/21/1424968021.db2.gz DCLPOWAXQZBQIO-UHFFFAOYSA-N -1 1 329.291 2.801 20 5 EFBDMM C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(F)cc1F ZINC000820461584 1424995859 /nfs/dbraw/zinc/99/58/59/1424995859.db2.gz NIIPWUGVIDGAPE-ZETCQYMHSA-N -1 1 347.285 2.621 20 5 EFBDMM C[C@@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000820461505 1425005946 /nfs/dbraw/zinc/00/59/46/1425005946.db2.gz LCAJTEZHVVDWLU-SSDOTTSWSA-N -1 1 347.285 2.621 20 5 EFBDMM O=[N+]([O-])c1ccccc1CNC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826500175 1425115301 /nfs/dbraw/zinc/11/53/01/1425115301.db2.gz NPSKWGQKOOWMKU-UHFFFAOYSA-N -1 1 336.355 2.554 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822271379 1425582615 /nfs/dbraw/zinc/58/26/15/1425582615.db2.gz YKCJSIHROPJJGI-UHFFFAOYSA-N -1 1 329.291 2.801 20 5 EFBDMM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736296203 1426149627 /nfs/dbraw/zinc/14/96/27/1426149627.db2.gz GBFADPLVNBTXOW-NSHDSACASA-N -1 1 336.355 2.726 20 5 EFBDMM C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820462558 1426511082 /nfs/dbraw/zinc/51/10/82/1426511082.db2.gz YOBCRCJNHXJWLU-MRVPVSSYSA-N -1 1 345.750 2.996 20 5 EFBDMM CC(C)[C@H](C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824192849 1426615075 /nfs/dbraw/zinc/61/50/75/1426615075.db2.gz MYAAHZJBNSBLBA-ZETCQYMHSA-N -1 1 338.755 2.659 20 5 EFBDMM O=[N+]([O-])c1cnc(N2CCc3ccc(-c4nn[n-]n4)cc32)c(Cl)c1 ZINC000826500873 1426844864 /nfs/dbraw/zinc/84/48/64/1426844864.db2.gz PPIPNSLVZOEBRP-UHFFFAOYSA-N -1 1 343.734 2.518 20 5 EFBDMM C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000820461532 1426994173 /nfs/dbraw/zinc/99/41/73/1426994173.db2.gz LNNBPMWCAWCUOI-QMMMGPOBSA-N -1 1 345.750 2.996 20 5 EFBDMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000736159761 1427067084 /nfs/dbraw/zinc/06/70/84/1427067084.db2.gz OJHDNOTTXJACDG-JTQLQIEISA-N -1 1 339.311 2.693 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCc1ccc(F)cc1F ZINC000738357642 1427366964 /nfs/dbraw/zinc/36/69/64/1427366964.db2.gz GWVJXVNYTWKVFD-UHFFFAOYSA-N -1 1 346.297 2.708 20 5 EFBDMM CC[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1cccc([N+](=O)[O-])c1 ZINC000820926156 1427412532 /nfs/dbraw/zinc/41/25/32/1427412532.db2.gz PPRRBWAJQMSLGK-CYBMUJFWSA-N -1 1 328.332 2.609 20 5 EFBDMM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2F)ccc1[N+](=O)[O-] ZINC000826272095 1427552998 /nfs/dbraw/zinc/55/29/98/1427552998.db2.gz ULTMNOHDLYSZDT-UHFFFAOYSA-N -1 1 329.291 2.801 20 5 EFBDMM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(F)c([N+](=O)[O-])c1 ZINC000826171033 1427659053 /nfs/dbraw/zinc/65/90/53/1427659053.db2.gz ZKHOZMSWRRONRI-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM Cc1cccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1[N+](=O)[O-] ZINC000822283759 1427701356 /nfs/dbraw/zinc/70/13/56/1427701356.db2.gz CCEUFFNMRDCFIW-UHFFFAOYSA-N -1 1 338.327 2.644 20 5 EFBDMM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822195285 1427742915 /nfs/dbraw/zinc/74/29/15/1427742915.db2.gz NHTGXNFEHKLQHO-UHFFFAOYSA-N -1 1 344.356 2.706 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC2(CC2)c2ccccc21 ZINC000738357129 1427982287 /nfs/dbraw/zinc/98/22/87/1427982287.db2.gz CFZZSOYUYBRFOY-UHFFFAOYSA-N -1 1 334.339 2.958 20 5 EFBDMM Cc1ccnc(Oc2ccc(-c3nnn[n-]3)cc2Cl)c1[N+](=O)[O-] ZINC000737436223 1429879059 /nfs/dbraw/zinc/87/90/59/1429879059.db2.gz IAWXJHGJNUSGPK-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000823620527 1429955544 /nfs/dbraw/zinc/95/55/44/1429955544.db2.gz MSCURGCFIGTBCY-GRYCIOLGSA-N -1 1 343.391 2.941 20 5 EFBDMM CCO[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C12CCC2 ZINC000825583527 1430028604 /nfs/dbraw/zinc/02/86/04/1430028604.db2.gz VDHOENMHAOMXDS-ZIAGYGMSSA-N -1 1 344.375 2.535 20 5 EFBDMM CC[C@@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820989567 1441520588 /nfs/dbraw/zinc/52/05/88/1441520588.db2.gz WJTHWDNHUFRUEF-SNVBAGLBSA-N -1 1 339.359 2.559 20 5 EFBDMM Cc1ccc(Sc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1C ZINC000822271267 1441537684 /nfs/dbraw/zinc/53/76/84/1441537684.db2.gz UIHMQBLGZOMCLU-UHFFFAOYSA-N -1 1 328.357 2.938 20 5 EFBDMM O=[N+]([O-])c1ccc(-c2cnn(Cc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000738359628 1441571602 /nfs/dbraw/zinc/57/16/02/1441571602.db2.gz KVCGRNNYUKAJQM-UHFFFAOYSA-N -1 1 347.338 2.687 20 5 EFBDMM CCCN(C[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736469973 1441598210 /nfs/dbraw/zinc/59/82/10/1441598210.db2.gz HJJZDFURQRGGIJ-CYBMUJFWSA-N -1 1 346.391 2.560 20 5 EFBDMM Cc1ccc(CC[C@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])o1 ZINC000822236286 1441740450 /nfs/dbraw/zinc/74/04/50/1441740450.db2.gz SEBHZQLABDULCI-VIFPVBQESA-N -1 1 343.347 2.505 20 5 EFBDMM CCc1nc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cs1 ZINC000736699768 1441762086 /nfs/dbraw/zinc/76/20/86/1441762086.db2.gz PACZVJTUFRFUCJ-MRVPVSSYSA-N -1 1 345.388 2.967 20 5 EFBDMM C[C@H](NCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1[N+](=O)[O-] ZINC000824619661 1441800874 /nfs/dbraw/zinc/80/08/74/1441800874.db2.gz YJDXCGMISHNBBV-JTQLQIEISA-N -1 1 342.334 2.765 20 5 EFBDMM Cc1ccc2c(c1)[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)CC2 ZINC000737371892 1441822059 /nfs/dbraw/zinc/82/20/59/1441822059.db2.gz PECZYYYMYRHPET-AWEZNQCLSA-N -1 1 337.343 2.578 20 5 EFBDMM Cc1ccc(C[C@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])s1 ZINC000822234693 1441892185 /nfs/dbraw/zinc/89/21/85/1441892185.db2.gz DUSJDDSLCZOVSP-QMMMGPOBSA-N -1 1 345.388 2.583 20 5 EFBDMM Cc1cccc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)c1[N+](=O)[O-] ZINC000826301285 1441984794 /nfs/dbraw/zinc/98/47/94/1441984794.db2.gz ZGVJCLJBJOLFAB-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM COc1ccc(COc2cc(C)ccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826206783 1442004454 /nfs/dbraw/zinc/00/44/54/1442004454.db2.gz LCIQOKSBUMWZKI-UHFFFAOYSA-N -1 1 341.327 2.671 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCC1Cc2ccccc2C1 ZINC000738359426 1442128511 /nfs/dbraw/zinc/12/85/11/1442128511.db2.gz REXJJISJYFVEAO-UHFFFAOYSA-N -1 1 336.355 2.602 20 5 EFBDMM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1nccs1 ZINC000736370985 1443092166 /nfs/dbraw/zinc/09/21/66/1443092166.db2.gz UYNFQDJJIWEPFE-JTQLQIEISA-N -1 1 331.361 2.795 20 5 EFBDMM Cc1nc(Oc2ccc(-c3nnn[n-]3)cc2Cl)ccc1[N+](=O)[O-] ZINC000822453510 1443116744 /nfs/dbraw/zinc/11/67/44/1443116744.db2.gz KIGDIKOFPWMCTH-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000820461834 1443184884 /nfs/dbraw/zinc/18/48/84/1443184884.db2.gz RIQLQYJAVJAXEN-ZETCQYMHSA-N -1 1 347.285 2.621 20 5 EFBDMM CC(C)Oc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000735912589 1443381091 /nfs/dbraw/zinc/38/10/91/1443381091.db2.gz FSEGNZWDRNPEBQ-UHFFFAOYSA-N -1 1 341.331 2.701 20 5 EFBDMM O=[N+]([O-])c1cc(NCc2ccc(F)c(-c3nnn[n-]3)c2)ccc1F ZINC000823634037 1443424015 /nfs/dbraw/zinc/42/40/15/1443424015.db2.gz AFWPDRJKIORKTJ-UHFFFAOYSA-N -1 1 332.270 2.665 20 5 EFBDMM Cc1ccc([C@@H](C)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000822228672 1443642549 /nfs/dbraw/zinc/64/25/49/1443642549.db2.gz BYHYBADZASZPTN-NSHDSACASA-N -1 1 339.359 2.694 20 5 EFBDMM C[C@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000736277218 1443650432 /nfs/dbraw/zinc/65/04/32/1443650432.db2.gz LBIPEMNSDKDSEP-JTQLQIEISA-N -1 1 339.359 2.559 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(F)c(Cl)c1 ZINC000823624736 1443720401 /nfs/dbraw/zinc/72/04/01/1443720401.db2.gz HUZULWJRXHUFOH-UHFFFAOYSA-N -1 1 349.713 2.575 20 5 EFBDMM COc1cc(F)cc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000826180529 1443846652 /nfs/dbraw/zinc/84/66/52/1443846652.db2.gz LNWVTGSJWSJCSW-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM C[C@@H](OC(=O)c1csc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518416 1443884891 /nfs/dbraw/zinc/88/48/91/1443884891.db2.gz DGJBOSIZOUWCBY-MRVPVSSYSA-N -1 1 345.340 2.754 20 5 EFBDMM C[C@@H]1CCCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820705944 1443891771 /nfs/dbraw/zinc/89/17/71/1443891771.db2.gz WZJAPIZTBQNZSM-SNVBAGLBSA-N -1 1 339.359 2.702 20 5 EFBDMM CC[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1cccc([N+](=O)[O-])c1 ZINC000820926157 1444029643 /nfs/dbraw/zinc/02/96/43/1444029643.db2.gz PPRRBWAJQMSLGK-ZDUSSCGKSA-N -1 1 328.332 2.609 20 5 EFBDMM CCO[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C12CCC2 ZINC000821358156 1446497386 /nfs/dbraw/zinc/49/73/86/1446497386.db2.gz HTIYAQFBGIRUTC-UONOGXRCSA-N -1 1 344.375 2.535 20 5 EFBDMM CCS[C@H]1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821446678 1446588953 /nfs/dbraw/zinc/58/89/53/1446588953.db2.gz CHHBANJITVSUGZ-NEPJUHHUSA-N -1 1 348.432 2.885 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Nc1ccc2c(c1)CCCO2 ZINC000738357607 1446959464 /nfs/dbraw/zinc/95/94/64/1446959464.db2.gz GLJZVRGRDBPVAP-UHFFFAOYSA-N -1 1 338.327 2.844 20 5 EFBDMM C[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000824611751 1446960982 /nfs/dbraw/zinc/96/09/82/1446960982.db2.gz DLJCMTUQPXYCMC-SNVBAGLBSA-N -1 1 342.334 2.765 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822271448 1449156820 /nfs/dbraw/zinc/15/68/20/1449156820.db2.gz ZXPDTYVHDHICMA-UHFFFAOYSA-N -1 1 344.356 2.706 20 5 EFBDMM Cc1ccc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1F ZINC000822238868 1449381555 /nfs/dbraw/zinc/38/15/55/1449381555.db2.gz YCSLGTINUFAAOD-UHFFFAOYSA-N -1 1 328.307 2.835 20 5 EFBDMM CC[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCCCC1 ZINC000736367536 1449504105 /nfs/dbraw/zinc/50/41/05/1449504105.db2.gz BVVKDPDQZXORSJ-CYBMUJFWSA-N -1 1 331.380 2.941 20 5 EFBDMM CCC(CC)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825096475 1449649510 /nfs/dbraw/zinc/64/95/10/1449649510.db2.gz OBWZKYKOPQKLPP-UHFFFAOYSA-N -1 1 338.755 2.803 20 5 EFBDMM C[C@H]1CCC[C@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820697629 1449892970 /nfs/dbraw/zinc/89/29/70/1449892970.db2.gz JQMOUDUMPHRPAS-TVQRCGJNSA-N -1 1 339.359 2.924 20 5 EFBDMM Cc1nc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000822453180 1449977781 /nfs/dbraw/zinc/97/77/81/1449977781.db2.gz DRJRIASDYWFSNE-SECBINFHSA-N -1 1 325.332 2.651 20 5 EFBDMM Cc1nc(Sc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])sc1C ZINC000822458898 1450227792 /nfs/dbraw/zinc/22/77/92/1450227792.db2.gz IGZRDQYYBABWCC-UHFFFAOYSA-N -1 1 334.386 2.999 20 5 EFBDMM O=C([N-]c1nnc(C(F)F)s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000067524254 724395115 /nfs/dbraw/zinc/39/51/15/724395115.db2.gz KECQIBAMQNYJNY-UHFFFAOYSA-N -1 1 345.243 2.544 20 5 EFBDMM CC[C@@H](CSC)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000181618134 720506997 /nfs/dbraw/zinc/50/69/97/720506997.db2.gz HOESCQKEYWMIOU-VIFPVBQESA-N -1 1 338.838 2.668 20 5 EFBDMM Cc1ccccc1SCC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000918716428 728914767 /nfs/dbraw/zinc/91/47/67/728914767.db2.gz SILVGZCNCGGIFS-UHFFFAOYSA-N -1 1 330.365 2.952 20 5 EFBDMM CSCC(C)(C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000908383210 727174598 /nfs/dbraw/zinc/17/45/98/727174598.db2.gz LGZJBDMCUFLHAE-UHFFFAOYSA-N -1 1 338.838 2.668 20 5 EFBDMM Cc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(C)c1 ZINC000194349132 727255983 /nfs/dbraw/zinc/25/59/83/727255983.db2.gz ANMOVQOJOXFMGA-UHFFFAOYSA-N -1 1 338.360 2.829 20 5 EFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c(C)c1 ZINC000055555681 727945542 /nfs/dbraw/zinc/94/55/42/727945542.db2.gz GJALKFWKULCZOA-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1csc([N+](=O)[O-])c1 ZINC000919368246 729015208 /nfs/dbraw/zinc/01/52/08/729015208.db2.gz NQQNMMTXSBFTES-UHFFFAOYSA-N -1 1 347.304 2.825 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N(C)C)cc1 ZINC000068038470 729602835 /nfs/dbraw/zinc/60/28/35/729602835.db2.gz WQCWWPMFEWAWGJ-UHFFFAOYSA-N -1 1 335.385 2.770 20 5 EFBDMM C[C@]1(C(=O)[O-])CCCN1Cc1ccc([N+](=O)[O-])cc1Br ZINC000079486982 949003856 /nfs/dbraw/zinc/00/38/56/949003856.db2.gz AFTFODBEURICPG-CYBMUJFWSA-N -1 1 343.177 2.796 20 5 EFBDMM O=C([O-])[C@]1(C(F)(F)F)CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000901785089 980514922 /nfs/dbraw/zinc/51/49/22/980514922.db2.gz CIMDLCYCOPHVCZ-KQIUPUNMSA-N -1 1 344.289 2.947 20 5 EFBDMM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC001589522080 987174161 /nfs/dbraw/zinc/17/41/61/987174161.db2.gz ZPNKELCTIXWNAJ-SECBINFHSA-N -1 1 330.296 2.741 20 5 EFBDMM C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1C(=O)[O-] ZINC001599866774 989278769 /nfs/dbraw/zinc/27/87/69/989278769.db2.gz SFQBCXUOEYQIGS-LDYMZIIASA-N -1 1 332.278 2.766 20 5 EFBDMM CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598507440 992523446 /nfs/dbraw/zinc/52/34/46/992523446.db2.gz SOMQRNIRHMZWAM-UHFFFAOYSA-N -1 1 346.387 2.946 20 5 EFBDMM C[C@H](N[C@H]1CCCn2nc(C(=O)[O-])cc21)c1cccc([N+](=O)[O-])c1 ZINC001593220897 994317886 /nfs/dbraw/zinc/31/78/86/994317886.db2.gz WHOPWIILEKUBMD-GWCFXTLKSA-N -1 1 330.344 2.675 20 5 EFBDMM C[C@@](NCc1cccc2c1OCC2)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593304394 994746664 /nfs/dbraw/zinc/74/66/64/994746664.db2.gz MOBOWFFFLVYEAV-SFHVURJKSA-N -1 1 342.351 2.619 20 5 EFBDMM COc1cc([N+](=O)[O-])ccc1CN[C@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC001599462027 998289194 /nfs/dbraw/zinc/28/91/94/998289194.db2.gz HLESEMRSIUOTRK-KRWDZBQOSA-N -1 1 348.330 2.832 20 5 EFBDMM C[C@@H](OC(=O)c1csc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC001575486101 1088501611 /nfs/dbraw/zinc/50/16/11/1088501611.db2.gz OJIRIHKNCLIIQO-MRVPVSSYSA-N -1 1 345.340 2.754 20 5 EFBDMM C[C@@H](OC(=O)c1csc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC001575486101 1088501624 /nfs/dbraw/zinc/50/16/24/1088501624.db2.gz OJIRIHKNCLIIQO-MRVPVSSYSA-N -1 1 345.340 2.754 20 5 EFBDMM CCc1csc(Sc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC001578560629 1090397236 /nfs/dbraw/zinc/39/72/36/1090397236.db2.gz WRAVQVRNJJCQKR-UHFFFAOYSA-N -1 1 334.386 2.945 20 5 EFBDMM CCc1csc(Sc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC001578560629 1090397242 /nfs/dbraw/zinc/39/72/42/1090397242.db2.gz WRAVQVRNJJCQKR-UHFFFAOYSA-N -1 1 334.386 2.945 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1Cc2ccc(Cl)cc2C1 ZINC001582802055 1091666835 /nfs/dbraw/zinc/66/68/35/1091666835.db2.gz INCWRUXURLUXDX-UHFFFAOYSA-N -1 1 342.746 2.949 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1Cc2ccc(Cl)cc2C1 ZINC001582802055 1091666838 /nfs/dbraw/zinc/66/68/38/1091666838.db2.gz INCWRUXURLUXDX-UHFFFAOYSA-N -1 1 342.746 2.949 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1Oc1ccc(Cl)nc1 ZINC001582803624 1091668658 /nfs/dbraw/zinc/66/86/58/1091668658.db2.gz OGNXKCHAYCHXPS-UHFFFAOYSA-N -1 1 336.670 2.755 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCC[C@@H]2CCCC[C@@H]21 ZINC001582804667 1091670193 /nfs/dbraw/zinc/67/01/93/1091670193.db2.gz JGLLLZJJBBTKJO-UWVGGRQHSA-N -1 1 334.405 2.995 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCC[C@@H]2CCCC[C@@H]21 ZINC001582804667 1091670198 /nfs/dbraw/zinc/67/01/98/1091670198.db2.gz JGLLLZJJBBTKJO-UWVGGRQHSA-N -1 1 334.405 2.995 20 5 EFBDMM CC(=O)c1cccc(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])c1 ZINC001588920467 1093014055 /nfs/dbraw/zinc/01/40/55/1093014055.db2.gz MZPXXLQTOWCXNF-UHFFFAOYSA-N -1 1 344.356 2.651 20 5 EFBDMM CC(=O)c1cccc(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])c1 ZINC001588920467 1093014063 /nfs/dbraw/zinc/01/40/63/1093014063.db2.gz MZPXXLQTOWCXNF-UHFFFAOYSA-N -1 1 344.356 2.651 20 5 EFBDMM CC(C)(C)[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCO1 ZINC001589099594 1093030066 /nfs/dbraw/zinc/03/00/66/1093030066.db2.gz PGVDTQDMRMYIGT-FZMZJTMJSA-N -1 1 346.391 2.781 20 5 EFBDMM CC(C)(C)CCn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001589127561 1093036966 /nfs/dbraw/zinc/03/69/66/1093036966.db2.gz YTYSKRHVMKVDAW-UHFFFAOYSA-N -1 1 342.359 2.526 20 5 EFBDMM CC(C)CC(C)(C)CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589541340 1093104578 /nfs/dbraw/zinc/10/45/78/1093104578.db2.gz FWFTXKYZQODQSH-UHFFFAOYSA-N -1 1 333.396 2.841 20 5 EFBDMM CC(C)CC(C)(C)CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001589541340 1093104582 /nfs/dbraw/zinc/10/45/82/1093104582.db2.gz FWFTXKYZQODQSH-UHFFFAOYSA-N -1 1 333.396 2.841 20 5 EFBDMM CC(C)C[C@@H]1OCCC[C@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001589573352 1093108104 /nfs/dbraw/zinc/10/81/04/1093108104.db2.gz JSJPEVZMGLHYLO-HIFRSBDPSA-N -1 1 346.391 2.781 20 5 EFBDMM CC(C)C[C@H]1OCCC[C@@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001589573351 1093109062 /nfs/dbraw/zinc/10/90/62/1093109062.db2.gz JSJPEVZMGLHYLO-DZGCQCFKSA-N -1 1 346.391 2.781 20 5 EFBDMM C[C@H](CCSc1ccccc1)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001589835278 1093157125 /nfs/dbraw/zinc/15/71/25/1093157125.db2.gz QJDFBKPCWGEDPW-SNVBAGLBSA-N -1 1 345.388 2.715 20 5 EFBDMM C[C@@H](CN(C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])C1CCCCC1 ZINC001589847071 1093159444 /nfs/dbraw/zinc/15/94/44/1093159444.db2.gz ZAAIKLJKMLUZBV-NSHDSACASA-N -1 1 345.407 2.823 20 5 EFBDMM C[C@@H](CN(C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])C1CCCCC1 ZINC001589847071 1093159450 /nfs/dbraw/zinc/15/94/50/1093159450.db2.gz ZAAIKLJKMLUZBV-NSHDSACASA-N -1 1 345.407 2.823 20 5 EFBDMM C[C@H](CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])CC(F)(F)F ZINC001589876217 1093163116 /nfs/dbraw/zinc/16/31/16/1093163116.db2.gz RDRDBUQJMUXYJE-YFKPBYRVSA-N -1 1 336.299 2.837 20 5 EFBDMM C[C@H](CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])CC(F)(F)F ZINC001589876217 1093163118 /nfs/dbraw/zinc/16/31/18/1093163118.db2.gz RDRDBUQJMUXYJE-YFKPBYRVSA-N -1 1 336.299 2.837 20 5 EFBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1c(F)cncc1F ZINC001589984421 1093209210 /nfs/dbraw/zinc/20/92/10/1093209210.db2.gz PHXMWFHZHVAZFY-SSDOTTSWSA-N -1 1 347.285 2.621 20 5 EFBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1c(F)cncc1F ZINC001589984421 1093209216 /nfs/dbraw/zinc/20/92/16/1093209216.db2.gz PHXMWFHZHVAZFY-SSDOTTSWSA-N -1 1 347.285 2.621 20 5 EFBDMM CC1(C)CC[C@@H](CCNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])OC1 ZINC001590089034 1093259359 /nfs/dbraw/zinc/25/93/59/1093259359.db2.gz FVZUSPNYAWDUEZ-NSHDSACASA-N -1 1 346.391 2.782 20 5 EFBDMM CC1(C)CC[C@@H](CCNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])OC1 ZINC001590089034 1093259366 /nfs/dbraw/zinc/25/93/66/1093259366.db2.gz FVZUSPNYAWDUEZ-NSHDSACASA-N -1 1 346.391 2.782 20 5 EFBDMM CC1(C)CC[C@H](CCNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])OC1 ZINC001590089033 1093260438 /nfs/dbraw/zinc/26/04/38/1093260438.db2.gz FVZUSPNYAWDUEZ-LLVKDONJSA-N -1 1 346.391 2.782 20 5 EFBDMM CC1(C)CC[C@H](CCNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])OC1 ZINC001590089033 1093260443 /nfs/dbraw/zinc/26/04/43/1093260443.db2.gz FVZUSPNYAWDUEZ-LLVKDONJSA-N -1 1 346.391 2.782 20 5 EFBDMM C[C@@H]1CC[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001590237968 1093325457 /nfs/dbraw/zinc/32/54/57/1093325457.db2.gz RELULAYACQSXPW-UTLUCORTSA-N -1 1 331.380 2.594 20 5 EFBDMM C[C@@H]1CC[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001590237968 1093325471 /nfs/dbraw/zinc/32/54/71/1093325471.db2.gz RELULAYACQSXPW-UTLUCORTSA-N -1 1 331.380 2.594 20 5 EFBDMM C[C@@H]1CC[C@@]2(CCN(c3cccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)C1 ZINC001590240200 1093327688 /nfs/dbraw/zinc/32/76/88/1093327688.db2.gz PRVMSMDXXRLFIG-BDJLRTHQSA-N -1 1 328.376 2.791 20 5 EFBDMM C[C@@H]1CC[C@@]2(CCN(c3cccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)C1 ZINC001590240200 1093327696 /nfs/dbraw/zinc/32/76/96/1093327696.db2.gz PRVMSMDXXRLFIG-BDJLRTHQSA-N -1 1 328.376 2.791 20 5 EFBDMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC001590312553 1093369579 /nfs/dbraw/zinc/36/95/79/1093369579.db2.gz JMSXSBQFDRZCMG-OPRDCNLKSA-N -1 1 334.405 2.851 20 5 EFBDMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC001590312553 1093369583 /nfs/dbraw/zinc/36/95/83/1093369583.db2.gz JMSXSBQFDRZCMG-OPRDCNLKSA-N -1 1 334.405 2.851 20 5 EFBDMM C/C=C/CNc1cc(NC/C=C\C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590352947 1093386335 /nfs/dbraw/zinc/38/63/35/1093386335.db2.gz DPDVVSHJSKCOAX-UZNMPDEFSA-N -1 1 329.364 2.751 20 5 EFBDMM C/C=C/CNc1cc(NC/C=C\C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590352947 1093386340 /nfs/dbraw/zinc/38/63/40/1093386340.db2.gz DPDVVSHJSKCOAX-UZNMPDEFSA-N -1 1 329.364 2.751 20 5 EFBDMM C/C=C/C[C@H]1CCCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001590355925 1093389713 /nfs/dbraw/zinc/38/97/13/1093389713.db2.gz WPINDFWPXQZAOL-JDGPPOGSSA-N -1 1 328.376 2.958 20 5 EFBDMM C/C=C/C[C@H]1CCCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001590355925 1093389724 /nfs/dbraw/zinc/38/97/24/1093389724.db2.gz WPINDFWPXQZAOL-JDGPPOGSSA-N -1 1 328.376 2.958 20 5 EFBDMM CC[C@H](C)[C@@H](CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)OC ZINC001590399545 1093402811 /nfs/dbraw/zinc/40/28/11/1093402811.db2.gz JKQVTBKPRPICDF-TVQRCGJNSA-N -1 1 334.380 2.556 20 5 EFBDMM CC[C@H](C)[C@@H](CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)OC ZINC001590399545 1093402820 /nfs/dbraw/zinc/40/28/20/1093402820.db2.gz JKQVTBKPRPICDF-TVQRCGJNSA-N -1 1 334.380 2.556 20 5 EFBDMM CC[C@@H](CC(F)(F)F)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590422239 1093415818 /nfs/dbraw/zinc/41/58/18/1093415818.db2.gz QZVSTUOPBLMJRS-ZETCQYMHSA-N -1 1 330.270 2.918 20 5 EFBDMM CC[C@@H](CC(F)(F)F)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590422239 1093415821 /nfs/dbraw/zinc/41/58/21/1093415821.db2.gz QZVSTUOPBLMJRS-ZETCQYMHSA-N -1 1 330.270 2.918 20 5 EFBDMM CC[C@@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC001590472934 1093446409 /nfs/dbraw/zinc/44/64/09/1093446409.db2.gz XCCBGMINWSXKOT-PSASIEDQSA-N -1 1 338.393 2.596 20 5 EFBDMM CC[C@@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC001590472934 1093446412 /nfs/dbraw/zinc/44/64/12/1093446412.db2.gz XCCBGMINWSXKOT-PSASIEDQSA-N -1 1 338.393 2.596 20 5 EFBDMM CCC[C@@H](CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)OCC ZINC001590557405 1093486226 /nfs/dbraw/zinc/48/62/26/1093486226.db2.gz BKFZZCVPXUDWKT-LBPRGKRZSA-N -1 1 334.380 2.700 20 5 EFBDMM CCC[C@@H](CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)OCC ZINC001590557405 1093486231 /nfs/dbraw/zinc/48/62/31/1093486231.db2.gz BKFZZCVPXUDWKT-LBPRGKRZSA-N -1 1 334.380 2.700 20 5 EFBDMM CCC[C@@H](O)CCCSc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590559187 1093486541 /nfs/dbraw/zinc/48/65/41/1093486541.db2.gz DARSMZCJRYIARW-MRVPVSSYSA-N -1 1 343.434 2.870 20 5 EFBDMM CCC[C@@H](O)CCCSc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590559187 1093486546 /nfs/dbraw/zinc/48/65/46/1093486546.db2.gz DARSMZCJRYIARW-MRVPVSSYSA-N -1 1 343.434 2.870 20 5 EFBDMM CCCc1nc(C)c(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)o1 ZINC001590660420 1093533616 /nfs/dbraw/zinc/53/36/16/1093533616.db2.gz NEIXFAOPMUKYOY-UHFFFAOYSA-N -1 1 343.347 2.636 20 5 EFBDMM CCN(Cc1ccccn1)c1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590721242 1093557255 /nfs/dbraw/zinc/55/72/55/1093557255.db2.gz BFZKXPKUCPUHLP-UHFFFAOYSA-N -1 1 339.359 2.505 20 5 EFBDMM CCN(Cc1ccccn1)c1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590721242 1093557263 /nfs/dbraw/zinc/55/72/63/1093557263.db2.gz BFZKXPKUCPUHLP-UHFFFAOYSA-N -1 1 339.359 2.505 20 5 EFBDMM CCO[C@@H](CCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])C(C)C ZINC001590784738 1093568952 /nfs/dbraw/zinc/56/89/52/1093568952.db2.gz XFCFBMIQNJKBER-ZDUSSCGKSA-N -1 1 334.380 2.638 20 5 EFBDMM CCO[C@@H](CCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])C(C)C ZINC001590784738 1093568959 /nfs/dbraw/zinc/56/89/59/1093568959.db2.gz XFCFBMIQNJKBER-ZDUSSCGKSA-N -1 1 334.380 2.638 20 5 EFBDMM CCO[C@H]1C[C@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C12CCC2 ZINC001590795677 1093576257 /nfs/dbraw/zinc/57/62/57/1093576257.db2.gz YWSUNJNVGJYIHC-STQMWFEESA-N -1 1 344.375 2.535 20 5 EFBDMM CCO[C@H]1C[C@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C12CCC2 ZINC001590795677 1093576262 /nfs/dbraw/zinc/57/62/62/1093576262.db2.gz YWSUNJNVGJYIHC-STQMWFEESA-N -1 1 344.375 2.535 20 5 EFBDMM CCOc1ccccc1CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590842934 1093595315 /nfs/dbraw/zinc/59/53/15/1093595315.db2.gz NBBVZLZFLZPYOX-UHFFFAOYSA-N -1 1 340.343 2.786 20 5 EFBDMM CCS[C@H]1CCC[C@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590850221 1093597728 /nfs/dbraw/zinc/59/77/28/1093597728.db2.gz HVAQOTHSABFGJE-YPMHNXCESA-N -1 1 334.405 2.861 20 5 EFBDMM CCc1csc([C@H](C)Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)n1 ZINC001590902881 1093628082 /nfs/dbraw/zinc/62/80/82/1093628082.db2.gz XRVCUHPKJOTXAD-QMMMGPOBSA-N -1 1 345.388 2.967 20 5 EFBDMM CN(Cc1cc(F)cc(F)c1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591129828 1093667062 /nfs/dbraw/zinc/66/70/62/1093667062.db2.gz FIRQDKKPHACMOE-UHFFFAOYSA-N -1 1 346.297 2.690 20 5 EFBDMM COCC(C)(C)CCNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591369147 1093705397 /nfs/dbraw/zinc/70/53/97/1093705397.db2.gz IDIUCZNSCKASLD-UHFFFAOYSA-N -1 1 334.380 2.558 20 5 EFBDMM COCC(C)(C)CCNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591369147 1093705403 /nfs/dbraw/zinc/70/54/03/1093705403.db2.gz IDIUCZNSCKASLD-UHFFFAOYSA-N -1 1 334.380 2.558 20 5 EFBDMM COc1ccc(C)cc1CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591577698 1093778542 /nfs/dbraw/zinc/77/85/42/1093778542.db2.gz PXIKVUWOJMKODB-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM COc1ccc(C)cc1CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591577698 1093778545 /nfs/dbraw/zinc/77/85/45/1093778545.db2.gz PXIKVUWOJMKODB-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM COc1cccc(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])c1C ZINC001591639780 1093811096 /nfs/dbraw/zinc/81/10/96/1093811096.db2.gz QHDCBKUXMPMCCQ-UHFFFAOYSA-N -1 1 346.372 2.766 20 5 EFBDMM COc1cccc(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])c1C ZINC001591639780 1093811104 /nfs/dbraw/zinc/81/11/04/1093811104.db2.gz QHDCBKUXMPMCCQ-UHFFFAOYSA-N -1 1 346.372 2.766 20 5 EFBDMM Cc1c(Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cnn1CC(C)C ZINC001591828464 1093875962 /nfs/dbraw/zinc/87/59/62/1093875962.db2.gz LDTHGVGYEATCOY-UHFFFAOYSA-N -1 1 342.363 2.679 20 5 EFBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1ccnc(-c2nnn[n-]2)c1 ZINC001591974569 1093942120 /nfs/dbraw/zinc/94/21/20/1093942120.db2.gz NJAGUNLOIZJLRX-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1ccnc(-c2nn[n-]n2)c1 ZINC001591974569 1093942130 /nfs/dbraw/zinc/94/21/30/1093942130.db2.gz NJAGUNLOIZJLRX-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM Cc1cc(N[C@@H]2CCOC23CCCC3)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592040516 1093963462 /nfs/dbraw/zinc/96/34/62/1093963462.db2.gz NTSUBVIBTLXNMP-CYBMUJFWSA-N -1 1 344.375 2.597 20 5 EFBDMM Cc1cc(N[C@@H]2CCOC23CCCC3)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592040516 1093963467 /nfs/dbraw/zinc/96/34/67/1093963467.db2.gz NTSUBVIBTLXNMP-CYBMUJFWSA-N -1 1 344.375 2.597 20 5 EFBDMM Cc1cc(NC[C@]2(C)CCCS2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592042462 1093965611 /nfs/dbraw/zinc/96/56/11/1093965611.db2.gz GTAAELOXOTVWGU-AWEZNQCLSA-N -1 1 334.405 2.781 20 5 EFBDMM Cc1cc(NC[C@]2(C)CCCS2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592042462 1093965613 /nfs/dbraw/zinc/96/56/13/1093965613.db2.gz GTAAELOXOTVWGU-AWEZNQCLSA-N -1 1 334.405 2.781 20 5 EFBDMM Cc1cc(NC[C@H]2CCC3(CCC3)O2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592044964 1093965882 /nfs/dbraw/zinc/96/58/82/1093965882.db2.gz UPYXBASEAVRVOJ-GFCCVEGCSA-N -1 1 344.375 2.597 20 5 EFBDMM Cc1cc(NC[C@H]2CCC3(CCC3)O2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592044964 1093965888 /nfs/dbraw/zinc/96/58/88/1093965888.db2.gz UPYXBASEAVRVOJ-GFCCVEGCSA-N -1 1 344.375 2.597 20 5 EFBDMM Cc1ccc(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(Cl)n1 ZINC001592166551 1094010617 /nfs/dbraw/zinc/01/06/17/1094010617.db2.gz DEHCJJPSNKNUJO-UHFFFAOYSA-N -1 1 345.750 2.744 20 5 EFBDMM Cc1ccc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(Cl)n1 ZINC001592166551 1094010625 /nfs/dbraw/zinc/01/06/25/1094010625.db2.gz DEHCJJPSNKNUJO-UHFFFAOYSA-N -1 1 345.750 2.744 20 5 EFBDMM Cc1ccc(F)c(CCNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])c1 ZINC001592173857 1094015984 /nfs/dbraw/zinc/01/59/84/1094015984.db2.gz SMLBGZBPIDKXEZ-UHFFFAOYSA-N -1 1 348.363 2.939 20 5 EFBDMM Cc1ccc(F)c(CCNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])c1 ZINC001592173857 1094015988 /nfs/dbraw/zinc/01/59/88/1094015988.db2.gz SMLBGZBPIDKXEZ-UHFFFAOYSA-N -1 1 348.363 2.939 20 5 EFBDMM Cc1ccc2c(c1)CN(c1cccc(-c3nnn[n-]3)c1[N+](=O)[O-])CC2 ZINC001592203619 1094028539 /nfs/dbraw/zinc/02/85/39/1094028539.db2.gz IWWRBGJZANFWHB-UHFFFAOYSA-N -1 1 336.355 2.646 20 5 EFBDMM Cc1ccc2c(c1)CN(c1cccc(-c3nn[n-]n3)c1[N+](=O)[O-])CC2 ZINC001592203619 1094028545 /nfs/dbraw/zinc/02/85/45/1094028545.db2.gz IWWRBGJZANFWHB-UHFFFAOYSA-N -1 1 336.355 2.646 20 5 EFBDMM Cc1cccnc1CCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001592263229 1094058001 /nfs/dbraw/zinc/05/80/01/1094058001.db2.gz XEXUULZUBIVSDC-UHFFFAOYSA-N -1 1 339.359 2.523 20 5 EFBDMM Cc1cccnc1CCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001592263229 1094058006 /nfs/dbraw/zinc/05/80/06/1094058006.db2.gz XEXUULZUBIVSDC-UHFFFAOYSA-N -1 1 339.359 2.523 20 5 EFBDMM Cc1cnc([C@@H](C)Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)s1 ZINC001592293018 1094068213 /nfs/dbraw/zinc/06/82/13/1094068213.db2.gz URPXHHQLNJVJSL-MRVPVSSYSA-N -1 1 331.361 2.713 20 5 EFBDMM Cc1noc(C)c1[C@@H](C)CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001592456076 1094107814 /nfs/dbraw/zinc/10/78/14/1094107814.db2.gz FZMRVPGZZVDGKS-QMMMGPOBSA-N -1 1 343.347 2.595 20 5 EFBDMM Cc1noc(C)c1[C@@H](C)CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001592456076 1094107816 /nfs/dbraw/zinc/10/78/16/1094107816.db2.gz FZMRVPGZZVDGKS-QMMMGPOBSA-N -1 1 343.347 2.595 20 5 EFBDMM O=[N+]([O-])c1c(N[C@H]2C[C@]2(F)c2ccccc2)cccc1-c1nnn[n-]1 ZINC001593465464 1094308169 /nfs/dbraw/zinc/30/81/69/1094308169.db2.gz PFHQSHAFGVBUPM-BBRMVZONSA-N -1 1 340.318 2.824 20 5 EFBDMM O=[N+]([O-])c1c(N[C@H]2C[C@]2(F)c2ccccc2)cccc1-c1nn[n-]n1 ZINC001593465464 1094308180 /nfs/dbraw/zinc/30/81/80/1094308180.db2.gz PFHQSHAFGVBUPM-BBRMVZONSA-N -1 1 340.318 2.824 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCc2cc(Cl)ccc21 ZINC001593465571 1094310153 /nfs/dbraw/zinc/31/01/53/1094310153.db2.gz FAKAXCBPLJHCBO-UHFFFAOYSA-N -1 1 343.734 2.518 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCc2cc(Cl)ccc21 ZINC001593465571 1094310158 /nfs/dbraw/zinc/31/01/58/1094310158.db2.gz FAKAXCBPLJHCBO-UHFFFAOYSA-N -1 1 343.734 2.518 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1Oc1ccc(F)c(F)c1 ZINC001593467752 1094311734 /nfs/dbraw/zinc/31/17/34/1094311734.db2.gz UKXXRDCBQVRVNH-UHFFFAOYSA-N -1 1 337.217 2.985 20 5 EFBDMM O=[N+]([O-])c1c(NCc2cccc3cccnc32)cccc1-c1nnn[n-]1 ZINC001593469387 1094312727 /nfs/dbraw/zinc/31/27/27/1094312727.db2.gz OTRIXBRIRSVROQ-UHFFFAOYSA-N -1 1 347.338 2.935 20 5 EFBDMM O=[N+]([O-])c1c(NCc2cccc3cccnc32)cccc1-c1nn[n-]n1 ZINC001593469387 1094312736 /nfs/dbraw/zinc/31/27/36/1094312736.db2.gz OTRIXBRIRSVROQ-UHFFFAOYSA-N -1 1 347.338 2.935 20 5 EFBDMM O=[N+]([O-])c1c(Nc2ccc3c(c2)CCOC3)cccc1-c1nnn[n-]1 ZINC001593469091 1094312853 /nfs/dbraw/zinc/31/28/53/1094312853.db2.gz MUSQMQBHRVYWKA-UHFFFAOYSA-N -1 1 338.327 2.591 20 5 EFBDMM O=[N+]([O-])c1c(Nc2ccc3c(c2)CCOC3)cccc1-c1nn[n-]n1 ZINC001593469091 1094312860 /nfs/dbraw/zinc/31/28/60/1094312860.db2.gz MUSQMQBHRVYWKA-UHFFFAOYSA-N -1 1 338.327 2.591 20 5 EFBDMM O=[N+]([O-])c1cc(NCCc2ccc(F)cc2F)ccc1-c1nn[n-]n1 ZINC001593474109 1094316770 /nfs/dbraw/zinc/31/67/70/1094316770.db2.gz PIUYECCGYLAPAG-UHFFFAOYSA-N -1 1 346.297 2.708 20 5 EFBDMM O=[N+]([O-])c1cc(N[C@@H]2CCOC3(CCCC3)C2)ccc1-c1nn[n-]n1 ZINC001593474521 1094317874 /nfs/dbraw/zinc/31/78/74/1094317874.db2.gz RLLVXLGTRFRGIB-GFCCVEGCSA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1cc(NCc2cc(F)ccc2F)ccc1-c1nn[n-]n1 ZINC001593474922 1094321213 /nfs/dbraw/zinc/32/12/13/1094321213.db2.gz VYCVMVPXSJZCHP-UHFFFAOYSA-N -1 1 332.270 2.665 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H](CO)CC2CCCCC2)cc1-c1nnn[n-]1 ZINC001593478962 1094323885 /nfs/dbraw/zinc/32/38/85/1094323885.db2.gz NBOXKEICIOQMGH-CYBMUJFWSA-N -1 1 346.391 2.518 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H](CO)CC2CCCCC2)cc1-c1nn[n-]n1 ZINC001593478962 1094323898 /nfs/dbraw/zinc/32/38/98/1094323898.db2.gz NBOXKEICIOQMGH-CYBMUJFWSA-N -1 1 346.391 2.518 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@@H](c1ccncc1)C1CC1 ZINC001593488179 1094328502 /nfs/dbraw/zinc/32/85/02/1094328502.db2.gz QPMOAQQGLCMYRN-GFCCVEGCSA-N -1 1 343.372 2.795 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@@H](c1ccncc1)C1CC1 ZINC001593488179 1094328506 /nfs/dbraw/zinc/32/85/06/1094328506.db2.gz QPMOAQQGLCMYRN-GFCCVEGCSA-N -1 1 343.372 2.795 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC[C@@H]1c1ccc(F)cc1 ZINC001593488169 1094328663 /nfs/dbraw/zinc/32/86/63/1094328663.db2.gz QAIOKXKIOGIPGR-SNVBAGLBSA-N -1 1 346.347 2.927 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC[C@@H]1c1ccc(F)cc1 ZINC001593488169 1094328670 /nfs/dbraw/zinc/32/86/70/1094328670.db2.gz QAIOKXKIOGIPGR-SNVBAGLBSA-N -1 1 346.347 2.927 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NC[C@@H]1Cc2ccccc21 ZINC001593487224 1094329489 /nfs/dbraw/zinc/32/94/89/1094329489.db2.gz ABSLIBHJIYDXEY-VIFPVBQESA-N -1 1 328.357 2.588 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NC[C@@H]1Cc2ccccc21 ZINC001593487224 1094329498 /nfs/dbraw/zinc/32/94/98/1094329498.db2.gz ABSLIBHJIYDXEY-VIFPVBQESA-N -1 1 328.357 2.588 20 5 EFBDMM O=[N+]([O-])c1sccc1NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001593488817 1094330047 /nfs/dbraw/zinc/33/00/47/1094330047.db2.gz VHAIXYCYATWADM-UHFFFAOYSA-N -1 1 338.299 2.727 20 5 EFBDMM O=[N+]([O-])c1sccc1NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001593488817 1094330060 /nfs/dbraw/zinc/33/00/60/1094330060.db2.gz VHAIXYCYATWADM-UHFFFAOYSA-N -1 1 338.299 2.727 20 5 EFBDMM Cc1ccc(CNCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)cc1F ZINC001600420015 1095050634 /nfs/dbraw/zinc/05/06/34/1095050634.db2.gz QHBOBPJECHAMAV-UHFFFAOYSA-N -1 1 348.330 2.796 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001600487145 1095101875 /nfs/dbraw/zinc/10/18/75/1095101875.db2.gz NBNNFKXPYYZXIQ-ZDUSSCGKSA-N -1 1 344.371 2.731 20 5 EFBDMM Cc1n[nH]cc1C1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001600675341 1095252595 /nfs/dbraw/zinc/25/25/95/1095252595.db2.gz UULFNKNKBNGIRR-UHFFFAOYSA-N -1 1 344.371 2.704 20 5 EFBDMM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC001601610439 1095761830 /nfs/dbraw/zinc/76/18/30/1095761830.db2.gz LQFYZKQAHAZCRY-LSDHHAIUSA-N -1 1 342.307 2.741 20 5 EFBDMM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001601757750 1095892966 /nfs/dbraw/zinc/89/29/66/1095892966.db2.gz ZHWPTZHOMKOGIN-PWZJLYFZSA-N -1 1 326.299 2.558 20 5 EFBDMM O=C([O-])c1cc(Cl)cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC001602263941 1096148892 /nfs/dbraw/zinc/14/88/92/1096148892.db2.gz KSKKVOXZFAEWEA-UHFFFAOYSA-N -1 1 336.687 2.904 20 5 EFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN[C@@H](CCCO)c2ccccc2)c1 ZINC001602404396 1096224211 /nfs/dbraw/zinc/22/42/11/1096224211.db2.gz XCVZWCOHUIDMSY-INIZCTEOSA-N -1 1 344.367 2.896 20 5 EFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN[C@H](CCO)c2ccccc2)c1 ZINC001602404127 1096224372 /nfs/dbraw/zinc/22/43/72/1096224372.db2.gz QWLRKXRPMDDGON-OAHLLOKOSA-N -1 1 330.340 2.506 20 5 EFBDMM CC(C)(C)C1=CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001603062983 1096428156 /nfs/dbraw/zinc/42/81/56/1096428156.db2.gz ZXAWLLSNCKTAOJ-UHFFFAOYSA-N -1 1 328.376 2.958 20 5 EFBDMM CC(C)(C)C1=CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001603062983 1096428157 /nfs/dbraw/zinc/42/81/57/1096428157.db2.gz ZXAWLLSNCKTAOJ-UHFFFAOYSA-N -1 1 328.376 2.958 20 5 EFBDMM CC(C)(C)OC[C@@H]1CCCN1c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001603104581 1096444405 /nfs/dbraw/zinc/44/44/05/1096444405.db2.gz NKUSOLCDXLFURM-NSHDSACASA-N -1 1 346.391 2.559 20 5 EFBDMM CC(C)(C)OC[C@@H]1CCCN1c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001603104581 1096444411 /nfs/dbraw/zinc/44/44/11/1096444411.db2.gz NKUSOLCDXLFURM-NSHDSACASA-N -1 1 346.391 2.559 20 5 EFBDMM CC(C)(C)c1coc(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])n1 ZINC001603121265 1096452001 /nfs/dbraw/zinc/45/20/01/1096452001.db2.gz SZWZIJYAJSHOGD-UHFFFAOYSA-N -1 1 349.376 2.734 20 5 EFBDMM CC(C)(C)c1coc(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])n1 ZINC001603121265 1096452005 /nfs/dbraw/zinc/45/20/05/1096452005.db2.gz SZWZIJYAJSHOGD-UHFFFAOYSA-N -1 1 349.376 2.734 20 5 EFBDMM CC(C)C[C@@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001603271043 1096491450 /nfs/dbraw/zinc/49/14/50/1096491450.db2.gz IHKHJDANQNXNGF-NSHDSACASA-N -1 1 345.407 2.620 20 5 EFBDMM CC(C)C[C@@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001603271043 1096491456 /nfs/dbraw/zinc/49/14/56/1096491456.db2.gz IHKHJDANQNXNGF-NSHDSACASA-N -1 1 345.407 2.620 20 5 EFBDMM C[C@@H](COc1ccccc1)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603572240 1096556217 /nfs/dbraw/zinc/55/62/17/1096556217.db2.gz XGWIVEUKWGGHES-NSHDSACASA-N -1 1 340.343 2.654 20 5 EFBDMM C[C@@H](Cc1ccsc1)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001603588865 1096561807 /nfs/dbraw/zinc/56/18/07/1096561807.db2.gz HHTZMPLKXAPAQQ-ZETCQYMHSA-N -1 1 336.402 2.941 20 5 EFBDMM C[C@@H](Cc1ccsc1)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001603588865 1096561815 /nfs/dbraw/zinc/56/18/15/1096561815.db2.gz HHTZMPLKXAPAQQ-ZETCQYMHSA-N -1 1 336.402 2.941 20 5 EFBDMM CC(C)(NCCCOc1ccc([N+](=O)[O-])cc1)c1cc(C(=O)[O-])on1 ZINC001603680966 1096588446 /nfs/dbraw/zinc/58/84/46/1096588446.db2.gz OGGKQDIYIYFJLC-UHFFFAOYSA-N -1 1 349.343 2.575 20 5 EFBDMM CC(C)C1CCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC001603756671 1096614482 /nfs/dbraw/zinc/61/44/82/1096614482.db2.gz JUFJYWPKEABXGZ-UHFFFAOYSA-N -1 1 336.388 2.926 20 5 EFBDMM C[C@@]1(CCNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@]1(F)Cl ZINC001603800452 1096631792 /nfs/dbraw/zinc/63/17/92/1096631792.db2.gz NWKMYGYRWMNKIZ-OLZOCXBDSA-N -1 1 340.746 2.892 20 5 EFBDMM C[C@@]1(CCNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@]1(F)Cl ZINC001603800452 1096631796 /nfs/dbraw/zinc/63/17/96/1096631796.db2.gz NWKMYGYRWMNKIZ-OLZOCXBDSA-N -1 1 340.746 2.892 20 5 EFBDMM C[C@@H]1Cc2ccccc2CN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603952883 1096680962 /nfs/dbraw/zinc/68/09/62/1096680962.db2.gz OKSFFDKSDIQVBN-LLVKDONJSA-N -1 1 336.355 2.726 20 5 EFBDMM C[C@H]1c2sccc2CCN1c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603958856 1096683348 /nfs/dbraw/zinc/68/33/48/1096683348.db2.gz QRZMIZKXUVSHRY-VIFPVBQESA-N -1 1 342.384 2.960 20 5 EFBDMM C[C@H]1c2sccc2CCN1c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603958856 1096683350 /nfs/dbraw/zinc/68/33/50/1096683350.db2.gz QRZMIZKXUVSHRY-VIFPVBQESA-N -1 1 342.384 2.960 20 5 EFBDMM CC(C)c1nc(CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])n[nH]1 ZINC001604020904 1096701710 /nfs/dbraw/zinc/70/17/10/1096701710.db2.gz FFUSBBFLLCXAAV-UHFFFAOYSA-N -1 1 339.739 2.800 20 5 EFBDMM CC[C@@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1ccncc1 ZINC001604063543 1096716967 /nfs/dbraw/zinc/71/69/67/1096716967.db2.gz GPLNSPZTXDRYRT-SECBINFHSA-N -1 1 331.361 2.795 20 5 EFBDMM CC[C@@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1ccncc1 ZINC001604063543 1096716973 /nfs/dbraw/zinc/71/69/73/1096716973.db2.gz GPLNSPZTXDRYRT-SECBINFHSA-N -1 1 331.361 2.795 20 5 EFBDMM CC[C@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)[C@H]1CCCCO1 ZINC001604063765 1096717219 /nfs/dbraw/zinc/71/72/19/1096717219.db2.gz MGVDWUFELBXQNC-GXTWGEPZSA-N -1 1 332.364 2.535 20 5 EFBDMM CC[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)[C@H]1CCCCO1 ZINC001604063765 1096717223 /nfs/dbraw/zinc/71/72/23/1096717223.db2.gz MGVDWUFELBXQNC-GXTWGEPZSA-N -1 1 332.364 2.535 20 5 EFBDMM CCCc1ncc(CNc2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)o1 ZINC001604247675 1096785300 /nfs/dbraw/zinc/78/53/00/1096785300.db2.gz HBQZKMWCSJNUPV-UHFFFAOYSA-N -1 1 343.347 2.636 20 5 EFBDMM CCCc1ncc(CNc2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)o1 ZINC001604247675 1096785307 /nfs/dbraw/zinc/78/53/07/1096785307.db2.gz HBQZKMWCSJNUPV-UHFFFAOYSA-N -1 1 343.347 2.636 20 5 EFBDMM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC001604637446 1096919140 /nfs/dbraw/zinc/91/91/40/1096919140.db2.gz SOIZJLMJVHGYON-GZMMTYOYSA-N -1 1 343.177 2.652 20 5 EFBDMM COc1cc(C)cc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)c1 ZINC001605203046 1097050678 /nfs/dbraw/zinc/05/06/78/1097050678.db2.gz RJOSYWFUJQHKCS-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM COc1cc(C)cc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)c1 ZINC001605203046 1097050683 /nfs/dbraw/zinc/05/06/83/1097050683.db2.gz RJOSYWFUJQHKCS-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM COc1cc(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc(OC)c1 ZINC001605230976 1097061251 /nfs/dbraw/zinc/06/12/51/1097061251.db2.gz RDIVIVZCHNJJER-UHFFFAOYSA-N -1 1 342.315 2.536 20 5 EFBDMM COc1cc(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc(OC)c1 ZINC001605230976 1097061257 /nfs/dbraw/zinc/06/12/57/1097061257.db2.gz RDIVIVZCHNJJER-UHFFFAOYSA-N -1 1 342.315 2.536 20 5 EFBDMM CS[C@@H]1CC[C@H](N(C)c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001605372927 1097107969 /nfs/dbraw/zinc/10/79/69/1097107969.db2.gz VRINLXFRHPXCMY-JGVFFNPUSA-N -1 1 340.434 2.557 20 5 EFBDMM CS[C@@H]1CC[C@H](N(C)c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001605372927 1097107974 /nfs/dbraw/zinc/10/79/74/1097107974.db2.gz VRINLXFRHPXCMY-JGVFFNPUSA-N -1 1 340.434 2.557 20 5 EFBDMM CCCc1nc(C)cc(OCc2onc(C)c2[N+](=O)[O-])c1C(=O)[O-] ZINC001605378642 1097110694 /nfs/dbraw/zinc/11/06/94/1097110694.db2.gz GHZZZKPJTVHTHI-UHFFFAOYSA-N -1 1 335.316 2.824 20 5 EFBDMM Cc1cc(NC[C@@H](C)c2nccs2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605726758 1097208352 /nfs/dbraw/zinc/20/83/52/1097208352.db2.gz LVBWNQKJTXORJU-SECBINFHSA-N -1 1 345.388 2.755 20 5 EFBDMM Cc1cc(NC[C@@H](C)c2nccs2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605726758 1097208357 /nfs/dbraw/zinc/20/83/57/1097208357.db2.gz LVBWNQKJTXORJU-SECBINFHSA-N -1 1 345.388 2.755 20 5 EFBDMM Cc1cc(NCC[C@H]2CCCS2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605731843 1097209696 /nfs/dbraw/zinc/20/96/96/1097209696.db2.gz ZRTXPZKFHMLIDL-LLVKDONJSA-N -1 1 334.405 2.781 20 5 EFBDMM Cc1cc(NCC[C@H]2CCCS2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605731843 1097209701 /nfs/dbraw/zinc/20/97/01/1097209701.db2.gz ZRTXPZKFHMLIDL-LLVKDONJSA-N -1 1 334.405 2.781 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001605884701 1097265476 /nfs/dbraw/zinc/26/54/76/1097265476.db2.gz WTKHDMQPWLAGOM-VIFPVBQESA-N -1 1 343.299 2.594 20 5 EFBDMM Cc1cccc2c1CN(c1cc(-c3nnn[n-]3)sc1[N+](=O)[O-])CC2 ZINC001605931387 1097278521 /nfs/dbraw/zinc/27/85/21/1097278521.db2.gz VWRGWWOEIAIJBN-UHFFFAOYSA-N -1 1 342.384 2.708 20 5 EFBDMM Cc1cccc2c1CN(c1cc(-c3nn[n-]n3)sc1[N+](=O)[O-])CC2 ZINC001605931387 1097278525 /nfs/dbraw/zinc/27/85/25/1097278525.db2.gz VWRGWWOEIAIJBN-UHFFFAOYSA-N -1 1 342.384 2.708 20 5 EFBDMM Cc1csc([C@@H](C)CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)n1 ZINC001606001822 1097295140 /nfs/dbraw/zinc/29/51/40/1097295140.db2.gz XBYKEYQZXBPMLZ-QMMMGPOBSA-N -1 1 345.388 2.755 20 5 EFBDMM Cc1nc(Sc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)sc1C ZINC001606079719 1097314047 /nfs/dbraw/zinc/31/40/47/1097314047.db2.gz UICRPVFOCASZPB-UHFFFAOYSA-N -1 1 334.386 2.999 20 5 EFBDMM Cc1nc(Sc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)sc1C ZINC001606079719 1097314051 /nfs/dbraw/zinc/31/40/51/1097314051.db2.gz UICRPVFOCASZPB-UHFFFAOYSA-N -1 1 334.386 2.999 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@H](C2CCCC2)C1 ZINC001607077293 1097505212 /nfs/dbraw/zinc/50/52/12/1097505212.db2.gz ONWUQSKSKMFKEB-LBPRGKRZSA-N -1 1 343.391 2.577 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@H](C2CCCC2)C1 ZINC001607077293 1097505216 /nfs/dbraw/zinc/50/52/16/1097505216.db2.gz ONWUQSKSKMFKEB-LBPRGKRZSA-N -1 1 343.391 2.577 20 5 EFBDMM O=[N+]([O-])c1c(N[C@@H]2C[C@H]2Cc2ccccc2)cccc1-c1nnn[n-]1 ZINC001607077949 1097506319 /nfs/dbraw/zinc/50/63/19/1097506319.db2.gz HQTYBJUGMAOSAD-IUODEOHRSA-N -1 1 336.355 2.818 20 5 EFBDMM O=[N+]([O-])c1c(N[C@@H]2C[C@H]2Cc2ccccc2)cccc1-c1nn[n-]n1 ZINC001607077949 1097506325 /nfs/dbraw/zinc/50/63/25/1097506325.db2.gz HQTYBJUGMAOSAD-IUODEOHRSA-N -1 1 336.355 2.818 20 5 EFBDMM O=[N+]([O-])c1c(NCc2cc(F)cnc2Cl)cccc1-c1nnn[n-]1 ZINC001607078306 1097506613 /nfs/dbraw/zinc/50/66/13/1097506613.db2.gz UGXZZWQXNAHHFX-UHFFFAOYSA-N -1 1 349.713 2.575 20 5 EFBDMM O=[N+]([O-])c1c(NCc2cc(F)cnc2Cl)cccc1-c1nn[n-]n1 ZINC001607078306 1097506618 /nfs/dbraw/zinc/50/66/18/1097506618.db2.gz UGXZZWQXNAHHFX-UHFFFAOYSA-N -1 1 349.713 2.575 20 5 EFBDMM O=[N+]([O-])c1cc(N2CC(Cc3ccsc3)C2)ccc1-c1nn[n-]n1 ZINC001607079289 1097507403 /nfs/dbraw/zinc/50/74/03/1097507403.db2.gz ZLIPRLBSQCXUAO-UHFFFAOYSA-N -1 1 342.384 2.515 20 5 EFBDMM O=[N+]([O-])c1cnc(Sc2cccc(F)c2-c2nn[n-]n2)c(F)c1 ZINC001607086377 1097510368 /nfs/dbraw/zinc/51/03/68/1097510368.db2.gz WFYGCUBLCDBILA-UHFFFAOYSA-N -1 1 336.283 2.599 20 5 EFBDMM COc1ccc([C@H](NCc2cccc([N+](=O)[O-])c2C)C(=O)[O-])cc1O ZINC001607235620 1097569899 /nfs/dbraw/zinc/56/98/99/1097569899.db2.gz WDNSWXSCJVICAY-INIZCTEOSA-N -1 1 346.339 2.533 20 5 EFBDMM Cc1cc([C@@H]([NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])C(=O)[O-])ccc1F ZINC001607613444 1097676722 /nfs/dbraw/zinc/67/67/22/1097676722.db2.gz XWZUHSWSFRQHBW-OAHLLOKOSA-N -1 1 334.303 2.663 20 5 EFBDMM O=C([O-])[C@@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(O)c1 ZINC001608550340 1097950655 /nfs/dbraw/zinc/95/06/55/1097950655.db2.gz KYJGTTPFZBSVPE-AWEZNQCLSA-N -1 1 336.731 2.869 20 5 EFBDMM O=C([O-])CCc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC001608738383 1098004847 /nfs/dbraw/zinc/00/48/47/1098004847.db2.gz FNBQYMUSXLKUCA-UHFFFAOYSA-N -1 1 330.296 2.570 20 5 EFBDMM O=C([O-])COc1ccc(CN2CC3(CCC3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC001608759127 1098010801 /nfs/dbraw/zinc/01/08/01/1098010801.db2.gz YCFDFEOMQGTUTR-QGZVFWFLSA-N -1 1 346.383 2.823 20 5 EFBDMM O=C([O-])COc1ccc(CN2CC(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC001608758925 1098011761 /nfs/dbraw/zinc/01/17/61/1098011761.db2.gz NAPJMYWXRCLCHX-UHFFFAOYSA-N -1 1 334.372 2.680 20 5 EFBDMM CC(C)C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCO1 ZINC001609093841 1098141314 /nfs/dbraw/zinc/14/13/14/1098141314.db2.gz SZMYRVQSQFKZQQ-CHWSQXEVSA-N -1 1 346.391 2.781 20 5 EFBDMM CC(C)C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCO1 ZINC001609093841 1098141318 /nfs/dbraw/zinc/14/13/18/1098141318.db2.gz SZMYRVQSQFKZQQ-CHWSQXEVSA-N -1 1 346.391 2.781 20 5 EFBDMM C[C@](O)(CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC001609127509 1098159424 /nfs/dbraw/zinc/15/94/24/1098159424.db2.gz KMRCNPXMRJOKGI-INIZCTEOSA-N -1 1 346.391 2.518 20 5 EFBDMM CC1(C)CN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC001609147110 1098169288 /nfs/dbraw/zinc/16/92/88/1098169288.db2.gz KXIFWJDTPPCVRT-UHFFFAOYSA-N -1 1 345.407 2.620 20 5 EFBDMM CC1(C)CN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC001609147110 1098169289 /nfs/dbraw/zinc/16/92/89/1098169289.db2.gz KXIFWJDTPPCVRT-UHFFFAOYSA-N -1 1 345.407 2.620 20 5 EFBDMM C[C@@H]1CCC[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001609164566 1098179225 /nfs/dbraw/zinc/17/92/25/1098179225.db2.gz TXVQEGSMOMHSBW-ZJUUUORDSA-N -1 1 331.380 2.738 20 5 EFBDMM C[C@@H]1CCC[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001609164566 1098179228 /nfs/dbraw/zinc/17/92/28/1098179228.db2.gz TXVQEGSMOMHSBW-ZJUUUORDSA-N -1 1 331.380 2.738 20 5 EFBDMM CCO[C@H](CCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)C(C)C ZINC001609236914 1098215851 /nfs/dbraw/zinc/21/58/51/1098215851.db2.gz LZMIXWXJFJQUGQ-CQSZACIVSA-N -1 1 334.380 2.638 20 5 EFBDMM CN(Cc1cc2ccccc2[nH]1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609277380 1098235124 /nfs/dbraw/zinc/23/51/24/1098235124.db2.gz BQFVMPAZZHCJAR-UHFFFAOYSA-N -1 1 349.354 2.893 20 5 EFBDMM COc1cccc([C@H](C)Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1 ZINC001609361053 1098266014 /nfs/dbraw/zinc/26/60/14/1098266014.db2.gz BGJYOGCIRGXJMF-JTQLQIEISA-N -1 1 340.343 2.957 20 5 EFBDMM C[C@@H](CC1CCCCC1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609374714 1098273153 /nfs/dbraw/zinc/27/31/53/1098273153.db2.gz SMHOCZOMHSMZMJ-JTQLQIEISA-N -1 1 331.380 2.941 20 5 EFBDMM C[C@@H](CC1CCCCC1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609374714 1098273159 /nfs/dbraw/zinc/27/31/59/1098273159.db2.gz SMHOCZOMHSMZMJ-JTQLQIEISA-N -1 1 331.380 2.941 20 5 EFBDMM Cc1csc(CCCNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)n1 ZINC001609442448 1098325988 /nfs/dbraw/zinc/32/59/88/1098325988.db2.gz LXYMLLZNLDEMMD-UHFFFAOYSA-N -1 1 345.388 2.585 20 5 EFBDMM Cc1csc(CCCNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)n1 ZINC001609442448 1098325996 /nfs/dbraw/zinc/32/59/96/1098325996.db2.gz LXYMLLZNLDEMMD-UHFFFAOYSA-N -1 1 345.388 2.585 20 5 EFBDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001609468263 1098340793 /nfs/dbraw/zinc/34/07/93/1098340793.db2.gz MPSIEGCZPGFPAQ-MRVPVSSYSA-N -1 1 343.299 2.594 20 5 EFBDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001609468263 1098340799 /nfs/dbraw/zinc/34/07/99/1098340799.db2.gz MPSIEGCZPGFPAQ-MRVPVSSYSA-N -1 1 343.299 2.594 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC[C@@H]1c1ccccn1 ZINC001609599413 1098393869 /nfs/dbraw/zinc/39/38/69/1098393869.db2.gz APDNQAYHIJAWBI-CYBMUJFWSA-N -1 1 337.343 2.511 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC[C@@H]1c1ccccn1 ZINC001609599413 1098393876 /nfs/dbraw/zinc/39/38/76/1098393876.db2.gz APDNQAYHIJAWBI-CYBMUJFWSA-N -1 1 337.343 2.511 20 5 EFBDMM O=[N+]([O-])c1cc(N2CC(C3CCCCC3)C2)ccc1-c1nn[n-]n1 ZINC001609600605 1098394340 /nfs/dbraw/zinc/39/43/40/1098394340.db2.gz UAXGIVSLBUEYLF-UHFFFAOYSA-N -1 1 328.376 2.791 20 5 EFBDMM O=[N+]([O-])c1cc(N2CC[C@H](c3ccccc3)C2)ccc1-c1nn[n-]n1 ZINC001609600789 1098394414 /nfs/dbraw/zinc/39/44/14/1098394414.db2.gz DPNVDSYFCXEZKB-ZDUSSCGKSA-N -1 1 336.355 2.769 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCC[C@H]2CCCCO2)cc1-c1nnn[n-]1 ZINC001609602271 1098395666 /nfs/dbraw/zinc/39/56/66/1098395666.db2.gz VAPVYWYRBMBRKR-GFCCVEGCSA-N -1 1 332.364 2.536 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCC[C@H]2CCCCO2)cc1-c1nn[n-]n1 ZINC001609602271 1098395672 /nfs/dbraw/zinc/39/56/72/1098395672.db2.gz VAPVYWYRBMBRKR-GFCCVEGCSA-N -1 1 332.364 2.536 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CC[C@H](CC(F)(F)F)C2)cc1-c1nnn[n-]1 ZINC001609601629 1098395906 /nfs/dbraw/zinc/39/59/06/1098395906.db2.gz RFDYOAIGSAJSDG-MRVPVSSYSA-N -1 1 342.281 2.554 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CC[C@H](CC(F)(F)F)C2)cc1-c1nn[n-]n1 ZINC001609601629 1098395913 /nfs/dbraw/zinc/39/59/13/1098395913.db2.gz RFDYOAIGSAJSDG-MRVPVSSYSA-N -1 1 342.281 2.554 20 5 EFBDMM C[C@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccsc1 ZINC001609780419 1098456259 /nfs/dbraw/zinc/45/62/59/1098456259.db2.gz JDIXSUBMSKHTSV-JTQLQIEISA-N -1 1 336.369 2.971 20 5 EFBDMM C[C@@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001609782400 1098456899 /nfs/dbraw/zinc/45/68/99/1098456899.db2.gz YSRRKAJBWUBVCT-SNVBAGLBSA-N -1 1 344.323 2.873 20 5 EFBDMM C[C@]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])(C(=O)[O-])c1ccc(F)cc1 ZINC001609782166 1098457245 /nfs/dbraw/zinc/45/72/45/1098457245.db2.gz WWUBDWCYWFYGOI-MRXNPFEDSA-N -1 1 334.303 2.529 20 5 EFBDMM COC(=O)c1cc(N)cc2c1ccn2-c1ccc([O-])c([N+](=O)[O-])c1 ZINC001210397698 1102557160 /nfs/dbraw/zinc/55/71/60/1102557160.db2.gz DJMBCAGFKGJWTL-UHFFFAOYSA-N -1 1 327.296 2.613 20 5 EFBDMM Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000007357234 1107852102 /nfs/dbraw/zinc/85/21/02/1107852102.db2.gz JBCZXZAOPKNNNJ-UHFFFAOYSA-N -1 1 327.749 2.631 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066639029 215063156 /nfs/dbraw/zinc/06/31/56/215063156.db2.gz MQVYCBBWACOBMJ-UHFFFAOYSA-N -1 1 335.389 2.668 20 5 EFBDMM Cc1ccc(OCCCCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000186959430 236078411 /nfs/dbraw/zinc/07/84/11/236078411.db2.gz PAYXGYVBWFFFTC-UHFFFAOYSA-N -1 1 345.355 2.593 20 5 EFBDMM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2F)c([N+](=O)[O-])c1 ZINC000023391447 212373597 /nfs/dbraw/zinc/37/35/97/212373597.db2.gz ZDKQHLBHLZLKFB-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM CCC[C@@H](Cc1ccccc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193536975 240111076 /nfs/dbraw/zinc/11/10/76/240111076.db2.gz RKYLGTIUMHNFJJ-AWEZNQCLSA-N -1 1 329.356 2.837 20 5 EFBDMM Cc1oc2ccccc2c1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000194018033 240135104 /nfs/dbraw/zinc/13/51/04/240135104.db2.gz SWLCODDIYJJVJX-UHFFFAOYSA-N -1 1 327.296 2.680 20 5 EFBDMM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193588686 240225003 /nfs/dbraw/zinc/22/50/03/240225003.db2.gz JXRGRRBTEQHQJL-RISCZKNCSA-N -1 1 327.340 2.714 20 5 EFBDMM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193602888 240229543 /nfs/dbraw/zinc/22/95/43/240229543.db2.gz UBISTHMQRGUMNO-GXFFZTMASA-N -1 1 345.330 2.853 20 5 EFBDMM O=C(N[C@@H]1CCSc2ccc(F)cc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186801213 284092200 /nfs/dbraw/zinc/09/22/00/284092200.db2.gz VNOYGUDTQHJLBS-LLVKDONJSA-N -1 1 349.343 2.801 20 5 EFBDMM O=C(N[C@@H]1CCc2c1cccc2Cl)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000351827499 284101331 /nfs/dbraw/zinc/10/13/31/284101331.db2.gz LSXTYHPQWUXQBH-CYBMUJFWSA-N -1 1 333.731 2.766 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(CC(C)C)s1 ZINC000078994720 217168494 /nfs/dbraw/zinc/16/84/94/217168494.db2.gz WCSNJWCHEIOGBG-UHFFFAOYSA-N -1 1 336.373 2.906 20 5 EFBDMM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCN(CC2CCCCC2)CC1 ZINC000179458998 296187196 /nfs/dbraw/zinc/18/71/96/296187196.db2.gz HPQUVUKHXHAYTP-UHFFFAOYSA-N -1 1 347.415 2.639 20 5 EFBDMM COc1ccc([C@@H](NCc2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1F ZINC000426805122 247300633 /nfs/dbraw/zinc/30/06/33/247300633.db2.gz ZBFOOVKXJXFTRY-OAHLLOKOSA-N -1 1 334.303 2.658 20 5 EFBDMM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000426811298 247303130 /nfs/dbraw/zinc/30/31/30/247303130.db2.gz SYAFGIHLRMWQCY-HNNXBMFYSA-N -1 1 334.303 2.658 20 5 EFBDMM COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1OC(C)C ZINC000427006584 247308871 /nfs/dbraw/zinc/30/88/71/247308871.db2.gz YOBCLKUJIYFSKZ-UHFFFAOYSA-N -1 1 347.327 2.749 20 5 EFBDMM C/C(=C\c1ccccc1)CN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000427585701 247368868 /nfs/dbraw/zinc/36/88/68/247368868.db2.gz AUXUWNJJNGRGSN-XYOKQWHBSA-N -1 1 327.340 2.871 20 5 EFBDMM O=C(Nc1ccc(N2CCSCC2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000266115086 248107103 /nfs/dbraw/zinc/10/71/03/248107103.db2.gz WGLRNEJVDYXPCR-UHFFFAOYSA-N -1 1 332.385 2.728 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000365456629 296283560 /nfs/dbraw/zinc/28/35/60/296283560.db2.gz FWQXUCHSNQTJIB-GFCCVEGCSA-N -1 1 333.731 2.936 20 5 EFBDMM Cc1sc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nc1C(C)C ZINC000444996439 250373406 /nfs/dbraw/zinc/37/34/06/250373406.db2.gz LFXHUPNUKPHPGK-UHFFFAOYSA-N -1 1 336.373 2.514 20 5 EFBDMM C[C@]1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCCc2ccccc21 ZINC000445134251 250388435 /nfs/dbraw/zinc/38/84/35/250388435.db2.gz KQEOGMUDESJJJV-GOSISDBHSA-N -1 1 341.367 2.719 20 5 EFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000005126753 210394493 /nfs/dbraw/zinc/39/44/93/210394493.db2.gz UILISVVPOGTBKJ-UHFFFAOYSA-N -1 1 344.295 2.682 20 5 EFBDMM O=C(NCCCc1ccc(Cl)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303144048 141429579 /nfs/dbraw/zinc/42/95/79/141429579.db2.gz UTGAZCKUOJPZBZ-UHFFFAOYSA-N -1 1 335.747 2.711 20 5 EFBDMM COc1cc([N+](=O)[O-])c(C(=O)Nc2nc(C)ccc2[O-])cc1SC ZINC000345921792 142118373 /nfs/dbraw/zinc/11/83/73/142118373.db2.gz DWQIWDRMCAMELA-UHFFFAOYSA-N -1 1 349.368 2.987 20 5 EFBDMM O=C(Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)Nc1ccc(Cl)cc1 ZINC000349860335 142369165 /nfs/dbraw/zinc/36/91/65/142369165.db2.gz ORLJMRRMFAPPFI-UHFFFAOYSA-N -1 1 347.718 2.808 20 5 EFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)c1 ZINC000351634889 146164740 /nfs/dbraw/zinc/16/47/40/146164740.db2.gz OHIBQOPAZJIIKU-UHFFFAOYSA-N -1 1 338.389 2.859 20 5 EFBDMM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000356711684 147315946 /nfs/dbraw/zinc/31/59/46/147315946.db2.gz UWLXLSIFJNQHSH-LURJTMIESA-N -1 1 346.714 2.725 20 5 EFBDMM CCOC(=O)c1cc(F)c(F)cc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000356755138 147328232 /nfs/dbraw/zinc/32/82/32/147328232.db2.gz PMPZPWKHYZZDQV-UHFFFAOYSA-N -1 1 340.238 2.895 20 5 EFBDMM CCOC(=O)c1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c([O-])c1 ZINC000356797216 147338423 /nfs/dbraw/zinc/33/84/23/147338423.db2.gz KQMVJWACMCZMGL-UHFFFAOYSA-N -1 1 348.286 2.869 20 5 EFBDMM COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1[N+](=O)[O-] ZINC000359843584 148205087 /nfs/dbraw/zinc/20/50/87/148205087.db2.gz CTKCGTSBOZLPGY-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000360343925 148336658 /nfs/dbraw/zinc/33/66/58/148336658.db2.gz DSSLVJMKZBYYPJ-VHSXEESVSA-N -1 1 332.809 2.963 20 5 EFBDMM O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000337632181 164543790 /nfs/dbraw/zinc/54/37/90/164543790.db2.gz WKESOGKTXKDYAB-LSDHHAIUSA-N -1 1 345.355 2.858 20 5 EFBDMM O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277812606 267270308 /nfs/dbraw/zinc/27/03/08/267270308.db2.gz XMWNGADJKVCSOB-ZIAGYGMSSA-N -1 1 327.340 2.762 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(CCc1ccc(F)cc1)C1CC1 ZINC000278029852 267324588 /nfs/dbraw/zinc/32/45/88/267324588.db2.gz BCVNESYVMLYYMH-UHFFFAOYSA-N -1 1 345.330 2.682 20 5 EFBDMM CCc1cc(=O)[n-]c(SCCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000188100424 273054523 /nfs/dbraw/zinc/05/45/23/273054523.db2.gz PKRCHMJQPAUBSP-UHFFFAOYSA-N -1 1 335.385 2.802 20 5 EFBDMM O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000282325184 273546498 /nfs/dbraw/zinc/54/64/98/273546498.db2.gz WKESOGKTXKDYAB-HUUCEWRRSA-N -1 1 345.355 2.858 20 5 EFBDMM CC(C)SCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000286845844 274285529 /nfs/dbraw/zinc/28/55/29/274285529.db2.gz XAECVHGVNATGPN-UHFFFAOYSA-N -1 1 338.838 2.668 20 5 EFBDMM CC1(C)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000288483764 274602192 /nfs/dbraw/zinc/60/21/92/274602192.db2.gz CRQMGDHCUJTIBO-GFCCVEGCSA-N -1 1 333.369 2.980 20 5 EFBDMM O=C(N[C@H]1CCSc2c(F)cccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186923616 274993609 /nfs/dbraw/zinc/99/36/09/274993609.db2.gz IOHKJMWDZGBVDJ-NSHDSACASA-N -1 1 349.343 2.801 20 5 EFBDMM O=C([N-]c1n[nH]c(-c2ccco2)n1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000338350174 275001788 /nfs/dbraw/zinc/00/17/88/275001788.db2.gz RWOPCBVIKPXMAJ-UHFFFAOYSA-N -1 1 339.267 2.971 20 5 EFBDMM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185810627 278619100 /nfs/dbraw/zinc/61/91/00/278619100.db2.gz BTWIXOSQNHFMRW-RFAUZJTJSA-N -1 1 345.330 2.888 20 5 EFBDMM CC1(C)C[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000193737433 281316435 /nfs/dbraw/zinc/31/64/35/281316435.db2.gz QCHJRIPDQZRVFQ-CYBMUJFWSA-N -1 1 327.340 2.848 20 5 EFBDMM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000127827327 293083025 /nfs/dbraw/zinc/08/30/25/293083025.db2.gz VUOOWSDKMLHXFH-UHFFFAOYSA-N -1 1 335.385 2.770 20 5 EFBDMM CCc1ccc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)cc1 ZINC000295335154 295302287 /nfs/dbraw/zinc/30/22/87/295302287.db2.gz MZWUFEHYRAUVDS-AWEZNQCLSA-N -1 1 341.367 2.888 20 5 EFBDMM O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000298930687 311035645 /nfs/dbraw/zinc/03/56/45/311035645.db2.gz DMHAYFGRBJPKAU-UHFFFAOYSA-N -1 1 342.355 2.848 20 5 EFBDMM COc1ccc([C@@H](NCc2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1F ZINC000426829344 312530055 /nfs/dbraw/zinc/53/00/55/312530055.db2.gz OXYURYNOAHWMQH-OAHLLOKOSA-N -1 1 334.303 2.658 20 5 EFBDMM CC(C)[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000470735532 313134433 /nfs/dbraw/zinc/13/44/33/313134433.db2.gz YWXFVKBNUQDPKF-AWEZNQCLSA-N -1 1 343.383 2.940 20 5 EFBDMM CC(C)(C)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525186019 316194861 /nfs/dbraw/zinc/19/48/61/316194861.db2.gz UBLZHDBJUJLKDE-VXGBXAGGSA-N -1 1 341.433 2.873 20 5 EFBDMM Cc1cccc(C)c1[C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000544851719 317898809 /nfs/dbraw/zinc/89/88/09/317898809.db2.gz UJUPODVAWGAELR-LBPRGKRZSA-N -1 1 335.385 2.646 20 5 EFBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc3cc[nH]c32)ccc1[O-] ZINC000547822258 318046007 /nfs/dbraw/zinc/04/60/07/318046007.db2.gz VHXHKVLSBNJMRL-UHFFFAOYSA-N -1 1 333.325 2.583 20 5 EFBDMM CC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000548146693 318078335 /nfs/dbraw/zinc/07/83/35/318078335.db2.gz YRUOLOIBDDTQJI-JTQLQIEISA-N -1 1 326.296 2.604 20 5 EFBDMM O=C([N-]c1nnc(CC2CCCCC2)s1)c1c[nH]nc1[N+](=O)[O-] ZINC000548944064 318158544 /nfs/dbraw/zinc/15/85/44/318158544.db2.gz XZJNUUAWISLEQS-UHFFFAOYSA-N -1 1 336.377 2.545 20 5 EFBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000555126952 318346476 /nfs/dbraw/zinc/34/64/76/318346476.db2.gz JHHBNKINFTTXQA-UHFFFAOYSA-N -1 1 348.380 2.893 20 5 EFBDMM Cc1cnc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)[n-]c1=O ZINC000563439652 318785496 /nfs/dbraw/zinc/78/54/96/318785496.db2.gz NZFZMRDXRVHYEB-UHFFFAOYSA-N -1 1 335.341 2.558 20 5 EFBDMM Cc1cc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])ncn1 ZINC000572219190 319647361 /nfs/dbraw/zinc/64/73/61/319647361.db2.gz PKJPPUIVXNUKOC-UHFFFAOYSA-N -1 1 343.162 2.770 20 5 EFBDMM Cc1cc(NC[C@H](c2ccco2)N(C)C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000579838233 324043197 /nfs/dbraw/zinc/04/31/97/324043197.db2.gz NHWWWECTUCKUGT-CQSZACIVSA-N -1 1 333.344 2.909 20 5 EFBDMM CCc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)cc1[N+](=O)[O-] ZINC000581369787 324363007 /nfs/dbraw/zinc/36/30/07/324363007.db2.gz VGJPQAZCAVLRCZ-UHFFFAOYSA-N -1 1 336.373 2.559 20 5 EFBDMM C[C@H](c1ccccc1)n1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000610746314 469059226 /nfs/dbraw/zinc/05/92/26/469059226.db2.gz YRBAZAQDWYSIST-LLVKDONJSA-N -1 1 325.328 2.981 20 5 EFBDMM COCc1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)c1 ZINC000171329078 473363570 /nfs/dbraw/zinc/36/35/70/473363570.db2.gz IVFRNXVUHNPHMQ-UHFFFAOYSA-N -1 1 336.369 2.850 20 5 EFBDMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000006919591 471578388 /nfs/dbraw/zinc/57/83/88/471578388.db2.gz HMBDEDFXFZUOFQ-UHFFFAOYSA-N -1 1 336.369 2.967 20 5 EFBDMM O=C(NCc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000016496164 471939542 /nfs/dbraw/zinc/93/95/42/471939542.db2.gz LZTFPJPFJIHUNN-UHFFFAOYSA-N -1 1 341.245 2.644 20 5 EFBDMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC000029938386 472306103 /nfs/dbraw/zinc/30/61/03/472306103.db2.gz JKLPQBVUYPLOTN-VIFPVBQESA-N -1 1 341.776 2.683 20 5 EFBDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000030529774 472337177 /nfs/dbraw/zinc/33/71/77/472337177.db2.gz SZZSBDRNXVNZRF-UHFFFAOYSA-N -1 1 349.368 2.662 20 5 EFBDMM O=C(Nc1ncccc1[O-])c1ccc([N+](=O)[O-])cc1Br ZINC000154882278 472481743 /nfs/dbraw/zinc/48/17/43/472481743.db2.gz HGMPKDPNQCLRAT-UHFFFAOYSA-N -1 1 338.117 2.710 20 5 EFBDMM O=C([N-]c1nnc(-c2ccccn2)s1)c1csc([N+](=O)[O-])c1 ZINC000046759959 472595661 /nfs/dbraw/zinc/59/56/61/472595661.db2.gz CRFFHNWYISKYRZ-UHFFFAOYSA-N -1 1 333.354 2.822 20 5 EFBDMM CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccco1 ZINC000063698569 472801068 /nfs/dbraw/zinc/80/10/68/472801068.db2.gz KNZIPJZITBRXBL-CQSZACIVSA-N -1 1 347.371 2.706 20 5 EFBDMM CCCCNC(=O)[C@H]1CC[C@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092399993 472906604 /nfs/dbraw/zinc/90/66/04/472906604.db2.gz OSUIDMJJYPQBEJ-KBPBESRZSA-N -1 1 349.431 2.817 20 5 EFBDMM CCCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092399994 472906747 /nfs/dbraw/zinc/90/67/47/472906747.db2.gz OSUIDMJJYPQBEJ-ZIAGYGMSSA-N -1 1 349.431 2.817 20 5 EFBDMM O=C(Nc1nc(-c2ccco2)n[nH]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134790699 472966620 /nfs/dbraw/zinc/96/66/20/472966620.db2.gz WXAKJNOVJDJFGD-UHFFFAOYSA-N -1 1 333.691 2.879 20 5 EFBDMM O=C(NCCCc1c[nH]c2ccccc12)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000107774331 472982027 /nfs/dbraw/zinc/98/20/27/472982027.db2.gz XDQATOZCMSBADA-UHFFFAOYSA-N -1 1 340.339 2.539 20 5 EFBDMM Cc1ccc(NCCCNC(=O)c2ccc([O-])c(F)c2)c([N+](=O)[O-])c1 ZINC000613509834 480021614 /nfs/dbraw/zinc/02/16/14/480021614.db2.gz ZHEVVBMDZUPFHV-UHFFFAOYSA-N -1 1 347.346 2.980 20 5 EFBDMM CCCCc1cc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])[nH]n1 ZINC000159965186 473077801 /nfs/dbraw/zinc/07/78/01/473077801.db2.gz IDVRLBQVQMUJIX-UHFFFAOYSA-N -1 1 338.389 2.770 20 5 EFBDMM O=C(NC1(c2ccccc2)CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185656061 473481104 /nfs/dbraw/zinc/48/11/04/473481104.db2.gz BRKSHLXOPFUVMQ-UHFFFAOYSA-N -1 1 327.340 2.895 20 5 EFBDMM Cc1cccnc1[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)C ZINC000185663579 473482955 /nfs/dbraw/zinc/48/29/55/473482955.db2.gz VOKKEQOJMKSWHO-ZDUSSCGKSA-N -1 1 330.344 2.526 20 5 EFBDMM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC[C@H]1c1ccccc1 ZINC000185737995 473501174 /nfs/dbraw/zinc/50/11/74/473501174.db2.gz SKWCIWJPUVINAT-IUODEOHRSA-N -1 1 341.367 2.961 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(CC1CCC1)CC(F)(F)F ZINC000185804618 473519012 /nfs/dbraw/zinc/51/90/12/473519012.db2.gz OKYRPRJVQPXUNF-UHFFFAOYSA-N -1 1 333.266 2.500 20 5 EFBDMM CC1([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000167416639 473536775 /nfs/dbraw/zinc/53/67/75/473536775.db2.gz PISVOKSCNHXABH-UHFFFAOYSA-N -1 1 349.206 2.578 20 5 EFBDMM Cc1nnc([C@@H](C)[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)s1 ZINC000274026581 473708246 /nfs/dbraw/zinc/70/82/46/473708246.db2.gz RXAYDDXPQWECKN-SSDOTTSWSA-N -1 1 342.327 2.724 20 5 EFBDMM O=C(NCc1cccc(C(F)(F)F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186775078 473753833 /nfs/dbraw/zinc/75/38/33/473753833.db2.gz JJNJEBNHUSPAIM-UHFFFAOYSA-N -1 1 341.245 2.644 20 5 EFBDMM COc1ccc([C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000186883570 473775662 /nfs/dbraw/zinc/77/56/62/473775662.db2.gz ATWMTBJFCPWMOT-HNNXBMFYSA-N -1 1 343.339 2.585 20 5 EFBDMM CSC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000173237849 473777591 /nfs/dbraw/zinc/77/75/91/473777591.db2.gz HHIXTXKDKMBODC-UHFFFAOYSA-N -1 1 338.838 2.668 20 5 EFBDMM O=C(N[C@@H]1CCc2c1cccc2Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187012622 473802124 /nfs/dbraw/zinc/80/21/24/473802124.db2.gz MFSNATHVFNRJKI-GFCCVEGCSA-N -1 1 333.731 2.766 20 5 EFBDMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000187054471 473808969 /nfs/dbraw/zinc/80/89/69/473808969.db2.gz TUOYXIQHIOJHJZ-UHFFFAOYSA-N -1 1 326.305 2.543 20 5 EFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCCc2occc21 ZINC000194341452 473882553 /nfs/dbraw/zinc/88/25/53/473882553.db2.gz IHBDSIFVVBMXDF-NSHDSACASA-N -1 1 340.332 2.683 20 5 EFBDMM Cc1cc(C)c2c(c1)CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CC2 ZINC000188649420 474154051 /nfs/dbraw/zinc/15/40/51/474154051.db2.gz KJJRSPLGTKTXAD-UHFFFAOYSA-N -1 1 327.340 2.511 20 5 EFBDMM O=C(c1cccc2nn[nH]c21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000188668753 474159941 /nfs/dbraw/zinc/15/99/41/474159941.db2.gz FSGRHHXYGAIKSQ-UHFFFAOYSA-N -1 1 337.339 2.671 20 5 EFBDMM Cn1c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2nc1C1CC1 ZINC000270579242 474175864 /nfs/dbraw/zinc/17/58/64/474175864.db2.gz RTGRTOQTIZJHJE-UHFFFAOYSA-N -1 1 325.328 2.939 20 5 EFBDMM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000175276155 474176787 /nfs/dbraw/zinc/17/67/87/474176787.db2.gz IUGJBLZTCCLDLD-MNOVXSKESA-N -1 1 348.421 2.686 20 5 EFBDMM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000176525148 474492734 /nfs/dbraw/zinc/49/27/34/474492734.db2.gz RJFQBEOCUDKXHI-FZMZJTMJSA-N -1 1 327.340 2.714 20 5 EFBDMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266985011 474556717 /nfs/dbraw/zinc/55/67/17/474556717.db2.gz HDKIOKLPAPCLIG-MRVPVSSYSA-N -1 1 348.384 2.612 20 5 EFBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1CCN(CC2CC2)c2ccccc21 ZINC000340823192 474691368 /nfs/dbraw/zinc/69/13/68/474691368.db2.gz MVYZGYLSXMHJQN-UHFFFAOYSA-N -1 1 326.356 2.800 20 5 EFBDMM O=C(Nc1ccc(F)cc1[O-])c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000344408035 474726589 /nfs/dbraw/zinc/72/65/89/474726589.db2.gz SZCHZPGGARALSO-UHFFFAOYSA-N -1 1 342.286 2.878 20 5 EFBDMM Cc1sc(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000344951604 474818193 /nfs/dbraw/zinc/81/81/93/474818193.db2.gz MIOJCHSLAFSWAF-UHFFFAOYSA-N -1 1 344.336 2.584 20 5 EFBDMM O=C(Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000337632177 475198434 /nfs/dbraw/zinc/19/84/34/475198434.db2.gz WKESOGKTXKDYAB-CABCVRRESA-N -1 1 345.355 2.858 20 5 EFBDMM COC(=O)CCSc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000339526234 475276055 /nfs/dbraw/zinc/27/60/55/475276055.db2.gz AIRAHYHAWCOIJH-UHFFFAOYSA-N -1 1 349.368 2.830 20 5 EFBDMM CCOC(=O)c1cnc(C(C)=Cc2ccc([N+](=O)[O-])cc2)[n-]c1=O ZINC000347478553 475318717 /nfs/dbraw/zinc/31/87/17/475318717.db2.gz FCBYUGDSFNFEKN-NTMALXAHSA-N -1 1 329.312 2.828 20 5 EFBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC(F)(F)c1ccccc1 ZINC000352726610 475568721 /nfs/dbraw/zinc/56/87/21/475568721.db2.gz COXMCCZNIVWNAI-UHFFFAOYSA-N -1 1 342.323 2.665 20 5 EFBDMM Cc1ccc(S(=O)(=O)[N-]c2cc3[nH]ncc3c(C)c2)c([N+](=O)[O-])c1 ZINC000346497724 475614484 /nfs/dbraw/zinc/61/44/84/475614484.db2.gz ZTWSCLLOCJRZDL-UHFFFAOYSA-N -1 1 346.368 2.889 20 5 EFBDMM O=C(Nc1nc(-c2ccco2)n[nH]1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342903106 475652424 /nfs/dbraw/zinc/65/24/24/475652424.db2.gz LFNXCCHBRGDFMZ-UHFFFAOYSA-N -1 1 338.283 2.707 20 5 EFBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc2cncn2c1 ZINC000340005916 475682004 /nfs/dbraw/zinc/68/20/04/475682004.db2.gz YIFQDLFCTWKCPE-UHFFFAOYSA-N -1 1 332.703 2.854 20 5 EFBDMM Cc1nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)[n-]c(=O)c1C ZINC000346720338 475799297 /nfs/dbraw/zinc/79/92/97/475799297.db2.gz DLWYKTJKLVXSBA-UHFFFAOYSA-N -1 1 349.368 2.866 20 5 EFBDMM Cc1nc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[n-]c(=O)c1C ZINC000346724603 475802064 /nfs/dbraw/zinc/80/20/64/475802064.db2.gz PNBBXRWLUXXHOF-JTQLQIEISA-N -1 1 348.384 2.827 20 5 EFBDMM Cc1cc2[nH]ncc2cc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000358782265 475933003 /nfs/dbraw/zinc/93/30/03/475933003.db2.gz BQHWRCMHPCKVKF-UHFFFAOYSA-N -1 1 332.341 2.580 20 5 EFBDMM COc1cc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc(OC)c1OC ZINC000355454397 475952420 /nfs/dbraw/zinc/95/24/20/475952420.db2.gz KKIJYFBABHYBEK-UHFFFAOYSA-N -1 1 346.299 2.666 20 5 EFBDMM O=C(Nc1ccnn1CCc1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000338669602 476100921 /nfs/dbraw/zinc/10/09/21/476100921.db2.gz ULIGHPADEUNRMF-UHFFFAOYSA-N -1 1 325.328 2.614 20 5 EFBDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000353721445 476217468 /nfs/dbraw/zinc/21/74/68/476217468.db2.gz RHDLODBENLHEEU-UHFFFAOYSA-N -1 1 349.368 2.609 20 5 EFBDMM Cc1ccc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c(C)c1 ZINC000303387021 476232793 /nfs/dbraw/zinc/23/27/93/476232793.db2.gz XMDUWKSOXROHHV-GFCCVEGCSA-N -1 1 329.356 2.673 20 5 EFBDMM Cc1ccc([C@@]2(C)CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)cc1 ZINC000370563603 476874347 /nfs/dbraw/zinc/87/43/47/476874347.db2.gz LCAMDXKZVGBNSC-SFHVURJKSA-N -1 1 341.367 2.808 20 5 EFBDMM O=C([N-]c1nc2n(n1)CCCC2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000457163193 476908133 /nfs/dbraw/zinc/90/81/33/476908133.db2.gz WWLGDUWNABTPOZ-UHFFFAOYSA-N -1 1 327.300 2.521 20 5 EFBDMM CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000447069332 476948667 /nfs/dbraw/zinc/94/86/67/476948667.db2.gz RSEYYIJZFQYNNZ-UHFFFAOYSA-N -1 1 332.360 2.593 20 5 EFBDMM CC(=O)c1ccc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)o1 ZINC000447185776 476961686 /nfs/dbraw/zinc/96/16/86/476961686.db2.gz SHVVAXPSMPOEID-UHFFFAOYSA-N -1 1 346.295 2.804 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC=C(c2ccccc2)C1 ZINC000375996176 477122193 /nfs/dbraw/zinc/12/21/93/477122193.db2.gz UHACOMVXEYDFSC-UHFFFAOYSA-N -1 1 325.324 2.625 20 5 EFBDMM O=c1[n-]nc([C@@H]2CCCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)o1 ZINC000413269913 477600978 /nfs/dbraw/zinc/60/09/78/477600978.db2.gz OIKFICHQWGALCS-LLVKDONJSA-N -1 1 341.327 2.616 20 5 EFBDMM CCN(CC)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccco1 ZINC000436925264 477637144 /nfs/dbraw/zinc/63/71/44/477637144.db2.gz JTGZQADBCRMETG-AWEZNQCLSA-N -1 1 347.371 2.706 20 5 EFBDMM Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000437910803 477774166 /nfs/dbraw/zinc/77/41/66/477774166.db2.gz ZJJIVVPDLHXWQL-UHFFFAOYSA-N -1 1 331.332 2.577 20 5 EFBDMM CCNC(=O)Nc1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000427985120 477799002 /nfs/dbraw/zinc/79/90/02/477799002.db2.gz RYMPMDVCBUKZJB-UHFFFAOYSA-N -1 1 331.332 2.625 20 5 EFBDMM C/C(=C\c1ccccc1)CN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000428044973 477811077 /nfs/dbraw/zinc/81/10/77/477811077.db2.gz WNWFLJCWAUUUEK-XYOKQWHBSA-N -1 1 327.340 2.871 20 5 EFBDMM Cc1cccc(OCCCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1C ZINC000428199893 477837858 /nfs/dbraw/zinc/83/78/58/477837858.db2.gz OXDQXXMZUDYEPS-UHFFFAOYSA-N -1 1 345.355 2.511 20 5 EFBDMM O=C(C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc([O-])cc1 ZINC000438874564 477899918 /nfs/dbraw/zinc/89/99/18/477899918.db2.gz GJFFRYGLMKVAQF-UHFFFAOYSA-N -1 1 340.335 2.674 20 5 EFBDMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cncs1 ZINC000439203770 477942190 /nfs/dbraw/zinc/94/21/90/477942190.db2.gz IQAMXNMKLUXWEM-ZETCQYMHSA-N -1 1 347.805 2.744 20 5 EFBDMM O=C([N-]c1ncn(Cc2ccccc2)n1)c1ccc(F)cc1[N+](=O)[O-] ZINC000537589988 478315293 /nfs/dbraw/zinc/31/52/93/478315293.db2.gz YWIQGTUKISYVFI-UHFFFAOYSA-N -1 1 341.302 2.626 20 5 EFBDMM CO[C@@H](CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C)C1CCCC1 ZINC000594697424 478501675 /nfs/dbraw/zinc/50/16/75/478501675.db2.gz VSZBTIZWIUYLNX-HNNXBMFYSA-N -1 1 342.417 2.850 20 5 EFBDMM CO[C@H](CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C)C1CCCC1 ZINC000594697425 478502033 /nfs/dbraw/zinc/50/20/33/478502033.db2.gz VSZBTIZWIUYLNX-OAHLLOKOSA-N -1 1 342.417 2.850 20 5 EFBDMM COc1cc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000563282687 478504121 /nfs/dbraw/zinc/50/41/21/478504121.db2.gz KBQYGONKOCTBPJ-INIZCTEOSA-N -1 1 342.351 2.615 20 5 EFBDMM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000597801865 478516365 /nfs/dbraw/zinc/51/63/65/478516365.db2.gz VAIBIHXJUAFAEX-JTQLQIEISA-N -1 1 330.344 2.704 20 5 EFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]2c2ccccc2)s1 ZINC000594869411 478567113 /nfs/dbraw/zinc/56/71/13/478567113.db2.gz JHYGAIBGYJJUJM-VXGBXAGGSA-N -1 1 338.410 2.881 20 5 EFBDMM C[C@]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)(C1CC1)C(F)(F)F ZINC000592383358 478876508 /nfs/dbraw/zinc/87/65/08/478876508.db2.gz PCRJLBPQIMFVAW-NSHDSACASA-N -1 1 338.307 2.604 20 5 EFBDMM CC[C@H](C)n1ncc([N-]c2nccc(C(=O)OC)c2[N+](=O)[O-])c1C ZINC000598620697 478930409 /nfs/dbraw/zinc/93/04/09/478930409.db2.gz NJVMNLIHXOOWEX-VIFPVBQESA-N -1 1 333.348 2.996 20 5 EFBDMM CCN(CCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)CCC(F)(F)F ZINC000514792554 479067345 /nfs/dbraw/zinc/06/73/45/479067345.db2.gz OJQGRULQUHYBDE-UHFFFAOYSA-N -1 1 349.309 2.979 20 5 EFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCC(F)(F)C1 ZINC000610785233 479187021 /nfs/dbraw/zinc/18/70/21/479187021.db2.gz AFYSMZOBOZSUGT-QMMMGPOBSA-N -1 1 340.735 2.714 20 5 EFBDMM CC(C)C1CCC(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000557627010 479295743 /nfs/dbraw/zinc/29/57/43/479295743.db2.gz JLVOQQTYUKIBIM-UHFFFAOYSA-N -1 1 341.433 2.731 20 5 EFBDMM CN(C)Cc1ccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1F ZINC000574522437 479303326 /nfs/dbraw/zinc/30/33/26/479303326.db2.gz XMAKPHXKFTYWRC-UHFFFAOYSA-N -1 1 348.334 2.501 20 5 EFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@H](OCC3CC3)C2)c1 ZINC000593738764 479440487 /nfs/dbraw/zinc/44/04/87/479440487.db2.gz YKJGKYBLOATHDF-HNNXBMFYSA-N -1 1 334.372 2.684 20 5 EFBDMM CCO[C@H]1C[C@H](N(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1(C)C ZINC000593738033 479440899 /nfs/dbraw/zinc/44/08/99/479440899.db2.gz KVRIVGPUMAXUDN-GJZGRUSLSA-N -1 1 336.388 2.928 20 5 EFBDMM CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)CC(=O)[O-])cc1OC ZINC000593744424 479442980 /nfs/dbraw/zinc/44/29/80/479442980.db2.gz MCXZSSSBWMYKNI-LLVKDONJSA-N -1 1 340.376 2.545 20 5 EFBDMM O=C([O-])c1ccc2c(c1)CN(CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000593749182 479446294 /nfs/dbraw/zinc/44/62/94/479446294.db2.gz AKMIUTRMNGFJMA-UHFFFAOYSA-N -1 1 342.351 2.730 20 5 EFBDMM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000603958682 479457525 /nfs/dbraw/zinc/45/75/25/479457525.db2.gz JRJNQQPKQWMSMC-PWSUYJOCSA-N -1 1 336.369 2.790 20 5 EFBDMM CC(C)(C)Oc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000604438519 479518501 /nfs/dbraw/zinc/51/85/01/479518501.db2.gz RTSXHVNLCCCJNF-UHFFFAOYSA-N -1 1 345.355 2.803 20 5 EFBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000590397396 479639489 /nfs/dbraw/zinc/63/94/89/479639489.db2.gz BIHKNTURGOGBCR-UHFFFAOYSA-N -1 1 345.340 2.708 20 5 EFBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000619466252 479802004 /nfs/dbraw/zinc/80/20/04/479802004.db2.gz CYPLWPXPDHOMFL-UHFFFAOYSA-N -1 1 344.295 2.682 20 5 EFBDMM CC(C)c1nnc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)s1 ZINC000609604352 480184418 /nfs/dbraw/zinc/18/44/18/480184418.db2.gz VJHXYJONFXLWFM-UHFFFAOYSA-N -1 1 336.329 2.551 20 5 EFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000610260029 480263613 /nfs/dbraw/zinc/26/36/13/480263613.db2.gz UNZXJOQUSQWRRY-RWMBFGLXSA-N -1 1 339.417 2.627 20 5 EFBDMM CCC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610262631 480264581 /nfs/dbraw/zinc/26/45/81/480264581.db2.gz BUNWCCCUQAXBKT-VXGBXAGGSA-N -1 1 327.406 2.627 20 5 EFBDMM CC(C)(CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000610261867 480265309 /nfs/dbraw/zinc/26/53/09/480265309.db2.gz YTEIEOHIVWJPSK-UHFFFAOYSA-N -1 1 349.412 2.636 20 5 EFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCCCC1CCCC1 ZINC000610269387 480267397 /nfs/dbraw/zinc/26/73/97/480267397.db2.gz RIMPFQDLRLRJCL-UHFFFAOYSA-N -1 1 327.406 2.629 20 5 EFBDMM CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000120937015 522612870 /nfs/dbraw/zinc/61/28/70/522612870.db2.gz QJSCISQXPORCOC-UHFFFAOYSA-N -1 1 345.399 2.984 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000187097696 534767270 /nfs/dbraw/zinc/76/72/70/534767270.db2.gz LLZVLHXABHMQMB-UHFFFAOYSA-N -1 1 345.330 2.887 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccccc1F)C1CC1 ZINC000186791517 534767559 /nfs/dbraw/zinc/76/75/59/534767559.db2.gz RIWRDBSMHHHCLU-UHFFFAOYSA-N -1 1 331.303 2.639 20 5 EFBDMM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[C@H]1c1ccccc1 ZINC000174236400 524856289 /nfs/dbraw/zinc/85/62/89/524856289.db2.gz BGJQUUNQWJRGOP-IUODEOHRSA-N -1 1 341.367 2.961 20 5 EFBDMM C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188154464 526036840 /nfs/dbraw/zinc/03/68/40/526036840.db2.gz HUXXNVILBJZARF-MRVPVSSYSA-N -1 1 337.282 2.807 20 5 EFBDMM O=C(NCCc1csc2ccccc12)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000195683055 526455735 /nfs/dbraw/zinc/45/57/35/526455735.db2.gz CWSZFHDCEUMERK-UHFFFAOYSA-N -1 1 343.364 2.883 20 5 EFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccccc1F ZINC000119494664 527389544 /nfs/dbraw/zinc/38/95/44/527389544.db2.gz FSXRLRJXBYLRBK-UHFFFAOYSA-N -1 1 344.751 2.866 20 5 EFBDMM CC(C)c1csc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000154066461 528236397 /nfs/dbraw/zinc/23/63/97/528236397.db2.gz XMCQCXLMIMWBFD-UHFFFAOYSA-N -1 1 341.414 2.653 20 5 EFBDMM COc1ccc(-c2ccc(CN3CCC[C@@H]3C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000414674004 536895997 /nfs/dbraw/zinc/89/59/97/536895997.db2.gz DNPQTOQYXYYQFZ-CQSZACIVSA-N -1 1 346.339 2.912 20 5 EFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc(C2CCC2)cc1 ZINC000562361405 546338888 /nfs/dbraw/zinc/33/88/88/546338888.db2.gz QYQLNZRDHFUYPH-UHFFFAOYSA-N -1 1 347.396 2.736 20 5 EFBDMM Cc1nc2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2[nH]1 ZINC000759148414 575885620 /nfs/dbraw/zinc/88/56/20/575885620.db2.gz SNIMKUZAPJMOEL-UHFFFAOYSA-N -1 1 332.341 2.580 20 5 EFBDMM Cc1nccn1-c1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cn1 ZINC000761917170 576228416 /nfs/dbraw/zinc/22/84/16/576228416.db2.gz CEOFQIUNENNFKD-UHFFFAOYSA-N -1 1 337.299 2.529 20 5 EFBDMM O=C(OCc1noc(-c2ccsc2)n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769049798 577327902 /nfs/dbraw/zinc/32/79/02/577327902.db2.gz WRYMDEHEOUEWKL-UHFFFAOYSA-N -1 1 347.308 2.769 20 5 EFBDMM CCN(C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000769049747 577327947 /nfs/dbraw/zinc/32/79/47/577327947.db2.gz SGXQGIXFTYXLGU-UHFFFAOYSA-N -1 1 344.323 2.510 20 5 EFBDMM CN(Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821611133 607344303 /nfs/dbraw/zinc/34/43/03/607344303.db2.gz RQYOAELGLUVQGF-UHFFFAOYSA-N -1 1 328.307 2.550 20 5 EFBDMM O=C([O-])C[C@@H]1CCCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000821516077 598202012 /nfs/dbraw/zinc/20/20/12/598202012.db2.gz OZLMYFHKLGBAII-ZDUSSCGKSA-N -1 1 344.371 2.603 20 5 EFBDMM O=[N+]([O-])c1cc(N(Cc2ccccc2)C2CC2)ccc1-c1nn[n-]n1 ZINC000823635075 607347087 /nfs/dbraw/zinc/34/70/87/607347087.db2.gz QXQNKTZKUBJARY-UHFFFAOYSA-N -1 1 336.355 2.944 20 5 EFBDMM O=[N+]([O-])c1c(NC2CCC2)cc(NC2CCC2)cc1-c1nnn[n-]1 ZINC000823630270 599545578 /nfs/dbraw/zinc/54/55/78/599545578.db2.gz UZYZQDOXCDEMDH-UHFFFAOYSA-N -1 1 329.364 2.704 20 5 EFBDMM O=[N+]([O-])c1c(NC2CCC2)cc(NC2CCC2)cc1-c1nn[n-]n1 ZINC000823630270 599545579 /nfs/dbraw/zinc/54/55/79/599545579.db2.gz UZYZQDOXCDEMDH-UHFFFAOYSA-N -1 1 329.364 2.704 20 5 EFBDMM Cc1cc(CNCc2ccccc2[N+](=O)[O-])cc(C)c1OCC(=O)[O-] ZINC000738393821 600156597 /nfs/dbraw/zinc/15/65/97/600156597.db2.gz ZZDKUQGJTYHBRU-UHFFFAOYSA-N -1 1 344.367 2.965 20 5 EFBDMM COc1ccc([C@@H](NCc2ccc([N+](=O)[O-])cc2F)C(=O)[O-])cc1 ZINC000832253398 601354662 /nfs/dbraw/zinc/35/46/62/601354662.db2.gz YDOGZKJUQOQUAN-OAHLLOKOSA-N -1 1 334.303 2.658 20 5 EFBDMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc([N+](=O)[O-])c1 ZINC000820512882 606508306 /nfs/dbraw/zinc/50/83/06/606508306.db2.gz OWBUOVKANNWJBZ-MRVPVSSYSA-N -1 1 345.340 2.754 20 5 EFBDMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccc([N+](=O)[O-])c1 ZINC000820512882 606508308 /nfs/dbraw/zinc/50/83/08/606508308.db2.gz OWBUOVKANNWJBZ-MRVPVSSYSA-N -1 1 345.340 2.754 20 5 EFBDMM CN(c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC000821619259 606644761 /nfs/dbraw/zinc/64/47/61/606644761.db2.gz PHQVAEMQGMAZMN-HNNXBMFYSA-N -1 1 336.355 2.899 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1CCCCCCC1 ZINC000823620830 606699891 /nfs/dbraw/zinc/69/98/91/606699891.db2.gz QQXXYTMOUBBILG-UHFFFAOYSA-N -1 1 331.380 2.942 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1CCCCCCC1 ZINC000823620830 606699893 /nfs/dbraw/zinc/69/98/93/606699893.db2.gz QQXXYTMOUBBILG-UHFFFAOYSA-N -1 1 331.380 2.942 20 5 EFBDMM CC(C)(COC(=O)c1ccc(C(=O)OCc2ccccc2)[n-]1)[N+](=O)[O-] ZINC000851129111 1250815802 /nfs/dbraw/zinc/81/58/02/1250815802.db2.gz IVZPRMSUWQBTRD-UHFFFAOYSA-N -1 1 346.339 2.584 20 5 EFBDMM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815009293 1287243139 /nfs/dbraw/zinc/24/31/39/1287243139.db2.gz DESGUPPMCGNHCJ-OIBJUYFYSA-N -1 1 336.772 2.854 20 5 EFBDMM COCc1ncsc1C(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000791062808 1277934790 /nfs/dbraw/zinc/93/47/90/1277934790.db2.gz MZGXHJIVVIQKOI-UHFFFAOYSA-N -1 1 325.321 2.898 20 5 EFBDMM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000829985003 1281905870 /nfs/dbraw/zinc/90/58/70/1281905870.db2.gz DTOURIHQRBVQTQ-RNFRBKRXSA-N -1 1 339.200 2.836 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C(C2CC2)C2CC2)cc1Cl ZINC000809806863 1282473099 /nfs/dbraw/zinc/47/30/99/1282473099.db2.gz IDHYWWAVFAFBNB-UHFFFAOYSA-N -1 1 348.783 2.854 20 5 EFBDMM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809815913 1282478705 /nfs/dbraw/zinc/47/87/05/1282478705.db2.gz WPRGBSARUKSBBZ-OIBJUYFYSA-N -1 1 336.772 2.854 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C23CCC(CC2)C3)cc1Cl ZINC000809832487 1282491702 /nfs/dbraw/zinc/49/17/02/1282491702.db2.gz QAVSWLCLRDNYQX-UHFFFAOYSA-N -1 1 348.783 2.998 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCC2CCC2)cc1Cl ZINC000809825427 1282526686 /nfs/dbraw/zinc/52/66/86/1282526686.db2.gz GQROTLWJOJHNPY-UHFFFAOYSA-N -1 1 336.772 2.856 20 5 EFBDMM O=C([N-]C[C@H]1CCCN(c2sccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000811856229 1284695444 /nfs/dbraw/zinc/69/54/44/1284695444.db2.gz LPRNXPQJWGQHTI-MRVPVSSYSA-N -1 1 337.323 2.551 20 5 EFBDMM CC(C)(CCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)[N+](=O)[O-] ZINC000824056833 1289524274 /nfs/dbraw/zinc/52/42/74/1289524274.db2.gz BVTRIDDYAKNHDV-UHFFFAOYSA-N -1 1 348.399 2.649 20 5 EFBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cc(F)c(Cl)c(F)c2)no1 ZINC001212893222 1290627926 /nfs/dbraw/zinc/62/79/26/1290627926.db2.gz SBRIRPGBWJYOGK-UHFFFAOYSA-N -1 1 327.634 2.967 20 5 EFBDMM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccc[nH]1 ZINC000795896169 1291657690 /nfs/dbraw/zinc/65/76/90/1291657690.db2.gz NRVADTZQZUJSIW-ZETCQYMHSA-N -1 1 347.755 2.755 20 5 EFBDMM O=C([O-])c1ccc2c(c1)CCN(CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000903619292 1312953516 /nfs/dbraw/zinc/95/35/16/1312953516.db2.gz VREQILLOFWWGEX-UHFFFAOYSA-N -1 1 342.351 2.730 20 5 EFBDMM O=c1c2c(O)ccc(O)c2oc2cc([O-])cc(O[C@H]3CCCOC3)c12 ZINC001234124471 1313061433 /nfs/dbraw/zinc/06/14/33/1313061433.db2.gz JMZDWFCMOCHTNP-JTQLQIEISA-N -1 1 344.319 2.621 20 5 EFBDMM CC[C@H](COc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12)OC ZINC001234125238 1313061447 /nfs/dbraw/zinc/06/14/47/1313061447.db2.gz PJTXDUKFERTGHY-SNVBAGLBSA-N -1 1 346.335 2.867 20 5 EFBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(O[C@H]3CCOC[C@H]3F)c12 ZINC001234743546 1313187705 /nfs/dbraw/zinc/18/77/05/1313187705.db2.gz OGDYJBUZCKGWGQ-YPMHNXCESA-N -1 1 346.310 2.863 20 5 EFBDMM O=c1c2cc(O)ccc2oc2cc([O-])cc(OC[C@H]3CCCO3)c12 ZINC001234743276 1313187832 /nfs/dbraw/zinc/18/78/32/1313187832.db2.gz BGYRLPMXQNHNID-GFCCVEGCSA-N -1 1 328.320 2.915 20 5 EFBDMM O=c1c2cc(O)ccc2oc2cc([O-])cc(OC3CC4(COC4)C3)c12 ZINC001234745216 1313187941 /nfs/dbraw/zinc/18/79/41/1313187941.db2.gz SIWISRAGVBCLJS-UHFFFAOYSA-N -1 1 340.331 2.915 20 5 EFBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(O[C@@H]3CCOC[C@H]3F)c12 ZINC001234743541 1313188036 /nfs/dbraw/zinc/18/80/36/1313188036.db2.gz OGDYJBUZCKGWGQ-DGCLKSJQSA-N -1 1 346.310 2.863 20 5 EFBDMM COc1c(O)ccc2c(=O)c3c(O[C@H](C)C(C)=O)cc([O-])cc3oc21 ZINC001234749543 1313188499 /nfs/dbraw/zinc/18/84/99/1313188499.db2.gz QDLXQDKSELCDDW-SECBINFHSA-N -1 1 344.319 2.722 20 5 EFBDMM CCOC[C@@H](C)Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234749941 1313189075 /nfs/dbraw/zinc/18/90/75/1313189075.db2.gz GRTODMANODJMGW-SECBINFHSA-N -1 1 346.335 2.867 20 5 EFBDMM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903903926 1313384399 /nfs/dbraw/zinc/38/43/99/1313384399.db2.gz GSYHIFKHOYZUOQ-DTWKUNHWSA-N -1 1 343.177 2.652 20 5 EFBDMM O=C([O-])C1(C(F)(F)F)CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000903922182 1313423564 /nfs/dbraw/zinc/42/35/64/1313423564.db2.gz YDUQIJYYWGNZFF-UHFFFAOYSA-N -1 1 332.278 2.824 20 5 EFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccnc2Cl)c(F)c1 ZINC000077688123 1298196416 /nfs/dbraw/zinc/19/64/16/1298196416.db2.gz ZLSIIBPCWYGNJX-UHFFFAOYSA-N -1 1 331.712 2.583 20 5 EFBDMM O=C1[C@H]([N-]c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CCN1C1CCCCC1 ZINC000853991371 1300379382 /nfs/dbraw/zinc/37/93/82/1300379382.db2.gz NRMWLDNKEOISCC-GFCCVEGCSA-N -1 1 348.359 2.849 20 5 EFBDMM Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c(Cl)n1 ZINC000800928245 1308688362 /nfs/dbraw/zinc/68/83/62/1308688362.db2.gz KOJMTAYAQCGNAF-UHFFFAOYSA-N -1 1 345.739 2.892 20 5 EFBDMM O=C(OCc1ccccc1[N+](=O)[O-])c1nn(-c2ccccc2)cc1[O-] ZINC000801202362 1309439575 /nfs/dbraw/zinc/43/95/75/1309439575.db2.gz AUQKMFUPDTWCDV-UHFFFAOYSA-N -1 1 339.307 2.843 20 5 EFBDMM O=c1[nH]c(Br)ccc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210394591 1314325551 /nfs/dbraw/zinc/32/55/51/1314325551.db2.gz ZNCWWPNFCUJPHD-UHFFFAOYSA-N -1 1 326.106 2.907 20 5 EFBDMM CCOc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc(C(=O)OC)n1 ZINC001210395658 1314325834 /nfs/dbraw/zinc/32/58/34/1314325834.db2.gz ABGQZBSFTYGIGM-UHFFFAOYSA-N -1 1 333.300 2.624 20 5 EFBDMM CS(=O)(=O)c1ccc([O-])c(Nc2ccc(F)cc2[N+](=O)[O-])c1 ZINC001210953702 1314415867 /nfs/dbraw/zinc/41/58/67/1314415867.db2.gz PWJDMKJIYQBWDO-UHFFFAOYSA-N -1 1 326.305 2.587 20 5 EFBDMM COC(=O)c1ccc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1F ZINC000780066840 1310877210 /nfs/dbraw/zinc/87/72/10/1310877210.db2.gz CYPFEXFRYPPGLJ-UHFFFAOYSA-N -1 1 349.270 2.583 20 5 EFBDMM COC[C@@]1(C(=O)[O-])CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000901867391 1311136021 /nfs/dbraw/zinc/13/60/21/1311136021.db2.gz YPQXHVIQBBYZCD-OAHLLOKOSA-N -1 1 342.779 2.561 20 5 EFBDMM COC(=O)c1oc([C@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1C ZINC000780073954 1311168547 /nfs/dbraw/zinc/16/85/47/1311168547.db2.gz AARVBNVIQVMBDG-VIFPVBQESA-N -1 1 349.295 2.906 20 5 EFBDMM O=C(OCc1ccn(-c2ccccc2)n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780073989 1311169015 /nfs/dbraw/zinc/16/90/15/1311169015.db2.gz AGRXYFVFONVRGT-UHFFFAOYSA-N -1 1 339.307 2.843 20 5 EFBDMM COc1ccc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000780074511 1311173756 /nfs/dbraw/zinc/17/37/56/1311173756.db2.gz FMTOBXYJGQMFTR-UHFFFAOYSA-N -1 1 348.267 2.574 20 5 EFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)c1ccc(F)cc1 ZINC000780075789 1311205484 /nfs/dbraw/zinc/20/54/84/1311205484.db2.gz MPCZHCBEVSZSGI-VIFPVBQESA-N -1 1 333.271 2.868 20 5 EFBDMM CC(=O)c1ccc([O-])cc1O[C@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001225618628 1311554925 /nfs/dbraw/zinc/55/49/25/1311554925.db2.gz GMMTXRUZHARZSO-QGZVFWFLSA-N -1 1 345.307 2.720 20 5 EFBDMM C[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1cccc(Br)n1 ZINC001225662153 1311561467 /nfs/dbraw/zinc/56/14/67/1311561467.db2.gz RBVCTINDFAUDNC-SSDOTTSWSA-N -1 1 340.133 2.993 20 5 EFBDMM C[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1cc(Br)no1 ZINC001225665411 1311561841 /nfs/dbraw/zinc/56/18/41/1311561841.db2.gz ZBIHFRDIQDRISO-RXMQYKEDSA-N -1 1 330.094 2.586 20 5 EFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H]1CCCC[C@@H]1F ZINC001226310143 1311645740 /nfs/dbraw/zinc/64/57/40/1311645740.db2.gz NDNJTPFNVSDHJY-UWVGGRQHSA-N -1 1 328.296 2.532 20 5 EFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1OC(C(C)C)C(C)C ZINC001226310171 1311645810 /nfs/dbraw/zinc/64/58/10/1311645810.db2.gz NLDBCBBFWBWQPY-UHFFFAOYSA-N -1 1 326.349 2.932 20 5 EFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1OC1CCC(F)(F)CC1 ZINC001226308826 1311645826 /nfs/dbraw/zinc/64/58/26/1311645826.db2.gz ZKNSGHKUUOOFLV-UHFFFAOYSA-N -1 1 346.286 2.829 20 5 EFBDMM COCC(=O)c1ccc([O-])cc1O[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001227168715 1311771494 /nfs/dbraw/zinc/77/14/94/1311771494.db2.gz MFHDBYVCKLADPO-HNNXBMFYSA-N -1 1 343.335 2.676 20 5 EFBDMM O=c1[n-]cnc(O[C@H](c2ccccc2)C2CCOCC2)c1[N+](=O)[O-] ZINC001228140301 1311906106 /nfs/dbraw/zinc/90/61/06/1311906106.db2.gz HDHCDLXBCLKLNH-CQSZACIVSA-N -1 1 331.328 2.637 20 5 EFBDMM CC(C)(C)N1CC(Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])C1 ZINC001228863190 1312011675 /nfs/dbraw/zinc/01/16/75/1312011675.db2.gz VEFALNZUWWYNFG-UHFFFAOYSA-N -1 1 335.282 2.576 20 5 EFBDMM O=[N+]([O-])c1ccc([O-])c(O[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)c1 ZINC001229396646 1312088817 /nfs/dbraw/zinc/08/88/17/1312088817.db2.gz VHCRXSWHAAVOHQ-LBPRGKRZSA-N -1 1 345.311 2.866 20 5 EFBDMM C[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC001229398619 1312089355 /nfs/dbraw/zinc/08/93/55/1312089355.db2.gz WJTVWNARXBGKAR-SNVBAGLBSA-N -1 1 338.360 2.935 20 5 EFBDMM O=C1OC[C@@H](COc2ccc3c(c2)oc2cc([O-])ccc2c3=O)O1 ZINC001229516385 1312108616 /nfs/dbraw/zinc/10/86/16/1312108616.db2.gz JMJRDBGVOZBCKF-LLVKDONJSA-N -1 1 328.276 2.566 20 5 EFBDMM O=C1OCCC[C@H]1Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229518233 1312109028 /nfs/dbraw/zinc/10/90/28/1312109028.db2.gz RZCSIEVCDXVEDD-CQSZACIVSA-N -1 1 326.304 2.736 20 5 EFBDMM O=c1oc2cc([O-])ccc2c2cc(OC3CCOCC3)c(O)cc12 ZINC001229802905 1312143001 /nfs/dbraw/zinc/14/30/01/1312143001.db2.gz MPNXCZBICGUAIT-UHFFFAOYSA-N -1 1 328.320 2.915 20 5 EFBDMM COc1nc([N-][C@@H](c2cccnc2)C(F)(F)F)nc(C)c1[N+](=O)[O-] ZINC001164176567 1312462182 /nfs/dbraw/zinc/46/21/82/1312462182.db2.gz WJDHWPPJKXHGFL-JTQLQIEISA-N -1 1 343.265 2.812 20 5 EFBDMM O=C([N-]CCNc1cc2cccnc2c2ncccc12)C(F)(F)F ZINC001164245963 1312477783 /nfs/dbraw/zinc/47/77/83/1312477783.db2.gz HAPVVZSIIKKNCA-UHFFFAOYSA-N -1 1 334.301 2.873 20 5 EFBDMM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000119942733 1314739623 /nfs/dbraw/zinc/73/96/23/1314739623.db2.gz VPYCDZWCMJRHFS-UHFFFAOYSA-N -1 1 347.443 2.635 20 5 EFBDMM Cc1ncc([N+](=O)[O-])cc1Nc1nc(Br)ccc1[O-] ZINC001248745831 1314957555 /nfs/dbraw/zinc/95/75/55/1314957555.db2.gz HSLDNWCMNGVHCG-UHFFFAOYSA-N -1 1 325.122 2.905 20 5 EFBDMM O=c1cccc2oc3cc([O-])c(O[C@@H]4CCCC[NH2+]C4)cc3c([O-])c1-2 ZINC001217970064 1315126827 /nfs/dbraw/zinc/12/68/27/1315126827.db2.gz CCIVVTUSDPEIGW-LLVKDONJSA-N -1 1 341.363 2.878 20 5 EFBDMM COc1cc([O-])c(-c2nc3ccc(N(C)C)cc3[nH]2)cc1[N+](=O)[O-] ZINC001251779071 1315377996 /nfs/dbraw/zinc/37/79/96/1315377996.db2.gz XPBYJXLNWDIJJY-UHFFFAOYSA-N -1 1 328.328 2.918 20 5 EFBDMM CCOc1ccc(-c2nnc(-c3[n-]cnc3[N+](=O)[O-])o2)cc1OCC ZINC001255028309 1315773685 /nfs/dbraw/zinc/77/36/85/1315773685.db2.gz SDWQHEIJCJGQNJ-UHFFFAOYSA-N -1 1 345.315 2.832 20 5 EFBDMM CS(=O)(=O)CS(=O)(=O)[N-]c1cccc2cc3ccccc3cc21 ZINC001260592118 1316348675 /nfs/dbraw/zinc/34/86/75/1316348675.db2.gz DOJCNHKKIZZXKQ-UHFFFAOYSA-N -1 1 349.433 2.737 20 5 EFBDMM COc1cccc([C@H](C(=O)[O-])N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001261890522 1316436530 /nfs/dbraw/zinc/43/65/30/1316436530.db2.gz GKWKYMJFEKBZMV-QGZVFWFLSA-N -1 1 342.351 2.787 20 5 EFBDMM O=C([N-]c1nnc(-c2ccncc2)s1)c1ccc([N+](=O)[O-])cc1F ZINC001319310381 1328843363 /nfs/dbraw/zinc/84/33/63/1328843363.db2.gz YWSITTFGRUBSID-UHFFFAOYSA-N -1 1 345.315 2.900 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C/C=C/C1CC1 ZINC001324267869 1329612588 /nfs/dbraw/zinc/61/25/88/1329612588.db2.gz RGZBHEDUGZCFRT-OWOJBTEDSA-N -1 1 334.756 2.632 20 5 EFBDMM O=C([N-]c1nnc(-c2ccncc2)s1)c1csc([N+](=O)[O-])c1 ZINC001333604617 1331179129 /nfs/dbraw/zinc/17/91/29/1331179129.db2.gz JOOQYOSJPJGGKI-UHFFFAOYSA-N -1 1 333.354 2.822 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000823621058 1427980529 /nfs/dbraw/zinc/98/05/29/1427980529.db2.gz WDDYOLJKFIHZCL-GARJFASQSA-N -1 1 329.364 2.551 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCC[C@H]1CCCC[C@H]1O ZINC000823630470 1428291465 /nfs/dbraw/zinc/29/14/65/1428291465.db2.gz XIUFNGRBKQQDOB-IAQYHMDHSA-N -1 1 346.391 2.518 20 5 EFBDMM CC[C@@H](C)n1nc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1C ZINC000825081057 1428694321 /nfs/dbraw/zinc/69/43/21/1428694321.db2.gz FBJQCZHBZGCJIV-SECBINFHSA-N -1 1 342.363 2.994 20 5 EFBDMM CSc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821983335 1428863170 /nfs/dbraw/zinc/86/31/70/1428863170.db2.gz GRQROELUFYGEJR-UHFFFAOYSA-N -1 1 343.372 2.504 20 5 EFBDMM O=[N+]([O-])c1cnc(N[C@H]2C[C@H]2C2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000823650822 1428974656 /nfs/dbraw/zinc/97/46/56/1428974656.db2.gz BOHIZCPRSGDGSN-AAEUAGOBSA-N -1 1 329.364 2.551 20 5 EFBDMM COc1cc(-c2nn[n-]n2)ccc1Oc1ncc(Cl)cc1[N+](=O)[O-] ZINC000821702901 1429494576 /nfs/dbraw/zinc/49/45/76/1429494576.db2.gz GECGWDVEVWKKDS-UHFFFAOYSA-N -1 1 348.706 2.624 20 5 EFBDMM Cc1cc(C)c([N+](=O)[O-])c(Sc2cccc(-c3nnn[n-]3)c2)n1 ZINC000826264005 1429587846 /nfs/dbraw/zinc/58/78/46/1429587846.db2.gz ZDMPFWFWFXKBOL-UHFFFAOYSA-N -1 1 328.357 2.938 20 5 EFBDMM C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Cc1cccs1 ZINC000820280512 1423606426 /nfs/dbraw/zinc/60/64/26/1423606426.db2.gz IGMSAKDEVUSINF-SECBINFHSA-N -1 1 345.388 2.522 20 5 EFBDMM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000820426661 1423620668 /nfs/dbraw/zinc/62/06/68/1423620668.db2.gz MCNMRWILWQSLPE-SNVBAGLBSA-N -1 1 342.334 2.765 20 5 EFBDMM O=[N+]([O-])c1ccc2ncnc(Oc3ccccc3-c3nn[n-]n3)c2c1 ZINC000826499498 1423842855 /nfs/dbraw/zinc/84/28/55/1423842855.db2.gz KWENLARQQMSHQX-UHFFFAOYSA-N -1 1 335.283 2.510 20 5 EFBDMM Cc1c(NCCOc2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000737220564 1424190390 /nfs/dbraw/zinc/19/03/90/1424190390.db2.gz ZHOCPGOBPZMLMD-UHFFFAOYSA-N -1 1 340.343 2.574 20 5 EFBDMM O=[N+]([O-])c1cc(F)cc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000823634478 1424391215 /nfs/dbraw/zinc/39/12/15/1424391215.db2.gz HDSXPTQGFGHUGY-UHFFFAOYSA-N -1 1 336.670 2.755 20 5 EFBDMM CC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC000819835232 1424615189 /nfs/dbraw/zinc/61/51/89/1424615189.db2.gz UFQVXXXCLDDPRW-UHFFFAOYSA-N -1 1 343.274 2.909 20 5 EFBDMM CCC[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nnn[n-]1 ZINC000176742728 1424768550 /nfs/dbraw/zinc/76/85/50/1424768550.db2.gz PYSJNDIVMGTXEI-JTQLQIEISA-N -1 1 346.372 2.594 20 5 EFBDMM CSCc1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737188094 1425042853 /nfs/dbraw/zinc/04/28/53/1425042853.db2.gz YMBPKUHBVNONCZ-UHFFFAOYSA-N -1 1 343.372 2.777 20 5 EFBDMM CCC[C@@H](C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825234254 1425217697 /nfs/dbraw/zinc/21/76/97/1425217697.db2.gz XXFPTXABAKUDGG-SSDOTTSWSA-N -1 1 338.755 2.803 20 5 EFBDMM C[C@@H](OC(=O)c1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000824722996 1425400375 /nfs/dbraw/zinc/40/03/75/1425400375.db2.gz LSWLPLURBHZWPW-SNVBAGLBSA-N -1 1 339.311 2.693 20 5 EFBDMM O=[N+]([O-])c1ccc2nc(N[C@@H]3CC=CCC3)cc(-c3nnn[n-]3)c2c1 ZINC000823643757 1425534965 /nfs/dbraw/zinc/53/49/65/1425534965.db2.gz AIPPXSAWSBJHEG-SNVBAGLBSA-N -1 1 337.343 2.844 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001136497651 1425963883 /nfs/dbraw/zinc/96/38/83/1425963883.db2.gz QGUKPOLYIVBEKX-UHFFFAOYSA-N -1 1 338.327 2.644 20 5 EFBDMM Cc1cc([C@@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1F ZINC000822191773 1426298705 /nfs/dbraw/zinc/29/87/05/1426298705.db2.gz QDOYOIKTEAYVMJ-SECBINFHSA-N -1 1 343.322 2.791 20 5 EFBDMM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736235560 1426417264 /nfs/dbraw/zinc/41/72/64/1426417264.db2.gz GHQNYWPKYHCGMY-MDZLAQPJSA-N -1 1 328.376 2.932 20 5 EFBDMM O=[N+]([O-])c1ccc(Sc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000823645498 1426779487 /nfs/dbraw/zinc/77/94/87/1426779487.db2.gz RRPPJSQOACHNSW-UHFFFAOYSA-N -1 1 344.312 2.834 20 5 EFBDMM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000820428014 1426975583 /nfs/dbraw/zinc/97/55/83/1426975583.db2.gz WFGDOOMTUVTTOA-JTQLQIEISA-N -1 1 342.334 2.765 20 5 EFBDMM C[C@@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(F)cc1F ZINC000820461583 1427012592 /nfs/dbraw/zinc/01/25/92/1427012592.db2.gz NIIPWUGVIDGAPE-SSDOTTSWSA-N -1 1 347.285 2.621 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822271045 1427175680 /nfs/dbraw/zinc/17/56/80/1427175680.db2.gz KBUHASAOABOBST-UHFFFAOYSA-N -1 1 338.327 2.644 20 5 EFBDMM C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736162202 1427414229 /nfs/dbraw/zinc/41/42/29/1427414229.db2.gz IAAXNUZJJINNEY-JTQLQIEISA-N -1 1 339.311 2.693 20 5 EFBDMM CCO[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C12CCC2 ZINC000736611645 1427465225 /nfs/dbraw/zinc/46/52/25/1427465225.db2.gz JZOWMQJUBJWZHY-KBPBESRZSA-N -1 1 344.375 2.535 20 5 EFBDMM O=[N+]([O-])c1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)c(Cl)c1 ZINC000826497972 1427624431 /nfs/dbraw/zinc/62/44/31/1427624431.db2.gz BFSIKMKNBKDCRZ-DAFODLJHSA-N -1 1 328.719 2.994 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCc2c1cccc2O ZINC000823630020 1427630330 /nfs/dbraw/zinc/63/03/30/1427630330.db2.gz PWKXNYJVPLIKLN-GFCCVEGCSA-N -1 1 338.327 2.580 20 5 EFBDMM CCC1CCC(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736394673 1427695132 /nfs/dbraw/zinc/69/51/32/1427695132.db2.gz CZKXPSRKWCBIOQ-UHFFFAOYSA-N -1 1 331.380 2.798 20 5 EFBDMM O=[N+]([O-])c1cccc(NCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823648070 1427747087 /nfs/dbraw/zinc/74/70/87/1427747087.db2.gz SNKJICGBLKFOIA-UHFFFAOYSA-N -1 1 340.343 2.656 20 5 EFBDMM O=C(CSc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000737947742 1427768425 /nfs/dbraw/zinc/76/84/25/1427768425.db2.gz OROTVAFZNDRARP-UHFFFAOYSA-N -1 1 341.352 2.750 20 5 EFBDMM Cc1cc(NCCOc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000822209761 1428152225 /nfs/dbraw/zinc/15/22/25/1428152225.db2.gz VVWYBFBJTCJNIO-UHFFFAOYSA-N -1 1 340.343 2.574 20 5 EFBDMM O=[N+]([O-])c1ccc(CCCCNc2ncccc2-c2nnn[n-]2)cc1 ZINC000738361697 1429808172 /nfs/dbraw/zinc/80/81/72/1429808172.db2.gz YSVVFSDHIYCSDF-UHFFFAOYSA-N -1 1 339.359 2.605 20 5 EFBDMM C[C@@H](NCc1csc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820438380 1430061568 /nfs/dbraw/zinc/06/15/68/1430061568.db2.gz NZMWOUJQGNQKHC-SECBINFHSA-N -1 1 330.373 2.687 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCc2cccc(F)c2F)c(-c2nnn[n-]2)c1 ZINC000738369612 1430158556 /nfs/dbraw/zinc/15/85/56/1430158556.db2.gz KGUFSOQYTFTEDN-UHFFFAOYSA-N -1 1 346.297 2.708 20 5 EFBDMM C[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736235563 1430197603 /nfs/dbraw/zinc/19/76/03/1430197603.db2.gz GHQNYWPKYHCGMY-WZRBSPASSA-N -1 1 328.376 2.932 20 5 EFBDMM Cc1ccc([C@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(C)c1 ZINC000822228631 1441462845 /nfs/dbraw/zinc/46/28/45/1441462845.db2.gz AVDCLLJQEAZNFC-NSHDSACASA-N -1 1 339.359 2.960 20 5 EFBDMM Cc1cc(COC(=O)c2sccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826267454 1441580540 /nfs/dbraw/zinc/58/05/40/1441580540.db2.gz GSSCALCNNJIMPG-UHFFFAOYSA-N -1 1 345.340 2.502 20 5 EFBDMM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1ccccc1-c1nnn[n-]1 ZINC000736297356 1441595570 /nfs/dbraw/zinc/59/55/70/1441595570.db2.gz LBTBWKBFPUEZLC-LLVKDONJSA-N -1 1 336.355 2.726 20 5 EFBDMM COc1ccc(COc2ccc(C)cc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826207110 1441861155 /nfs/dbraw/zinc/86/11/55/1441861155.db2.gz AHOYXFHAGKEWOI-UHFFFAOYSA-N -1 1 341.327 2.671 20 5 EFBDMM O=[N+]([O-])c1ccc2nc(NCc3ccco3)cc(-c3nnn[n-]3)c2c1 ZINC000738367261 1441885160 /nfs/dbraw/zinc/88/51/60/1441885160.db2.gz OSPACFSEJHSWLS-UHFFFAOYSA-N -1 1 337.299 2.528 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC=C(c2ccccc2)C1 ZINC000826497939 1442037047 /nfs/dbraw/zinc/03/70/47/1442037047.db2.gz ZSWQDMIXRUNJPI-UHFFFAOYSA-N -1 1 334.339 2.679 20 5 EFBDMM C[C@@H](CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC000820243071 1442080698 /nfs/dbraw/zinc/08/06/98/1442080698.db2.gz UYRDFKXMAKZINA-NSHDSACASA-N -1 1 339.359 2.776 20 5 EFBDMM COc1cc(-c2nnn[n-]2)ccc1COc1cc(F)cc([N+](=O)[O-])c1 ZINC000826173120 1442170154 /nfs/dbraw/zinc/17/01/54/1442170154.db2.gz OAWJWSSLOOTWFE-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM COc1cc(C)ccc1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821713228 1442185322 /nfs/dbraw/zinc/18/53/22/1442185322.db2.gz SAZQGPOBLZMMOW-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM CC(C)[C@@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000735750684 1442241756 /nfs/dbraw/zinc/24/17/56/1442241756.db2.gz RWFXORWHBQKWJX-GHMZBOCLSA-N -1 1 331.380 2.797 20 5 EFBDMM Cc1cc([N+](=O)[O-])ccc1OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826272286 1442293641 /nfs/dbraw/zinc/29/36/41/1442293641.db2.gz CCRHPTUYMVWGAS-UHFFFAOYSA-N -1 1 329.291 2.801 20 5 EFBDMM Cc1c(Cl)cnc(NCc2ccc([N+](=O)[O-])cc2)c1-c1nnn[n-]1 ZINC000826240151 1443188937 /nfs/dbraw/zinc/18/89/37/1443188937.db2.gz FYALLYTZPWPAMR-UHFFFAOYSA-N -1 1 345.750 2.744 20 5 EFBDMM CS[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737180460 1443219364 /nfs/dbraw/zinc/21/93/64/1443219364.db2.gz QWRRRWPALXFEPV-MWLCHTKSSA-N -1 1 334.405 2.861 20 5 EFBDMM O=[N+]([O-])c1ccc2nc(NCCC3CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823645597 1443225319 /nfs/dbraw/zinc/22/53/19/1443225319.db2.gz UQORPCZHKALOMP-UHFFFAOYSA-N -1 1 325.332 2.535 20 5 EFBDMM C[C@H](CCc1cccn1C)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000824413022 1443245794 /nfs/dbraw/zinc/24/57/94/1443245794.db2.gz INUHRBSCUVTGKL-LLVKDONJSA-N -1 1 341.375 2.547 20 5 EFBDMM C[C@H](NCc1cccc(-c2nnn[n-]2)c1F)c1cccc([N+](=O)[O-])c1 ZINC000824617890 1443338114 /nfs/dbraw/zinc/33/81/14/1443338114.db2.gz LBXVBUCPIZFPGG-JTQLQIEISA-N -1 1 342.334 2.765 20 5 EFBDMM CCc1ccc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000821482116 1443342029 /nfs/dbraw/zinc/34/20/29/1443342029.db2.gz QLFZYGWYGSPJPM-SNVBAGLBSA-N -1 1 339.359 2.905 20 5 EFBDMM Cc1ccc(CN(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])s1 ZINC000737342206 1443394221 /nfs/dbraw/zinc/39/42/21/1443394221.db2.gz QRJIGFGPRDAORO-UHFFFAOYSA-N -1 1 330.373 2.781 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCCOc1ccccc1 ZINC000823630522 1443432124 /nfs/dbraw/zinc/43/21/24/1443432124.db2.gz ZJHIJNDPZGYVLP-UHFFFAOYSA-N -1 1 340.343 2.656 20 5 EFBDMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000824993059 1443519043 /nfs/dbraw/zinc/51/90/43/1443519043.db2.gz OXXNXLOETZZKOX-WXHSDQCUSA-N -1 1 328.376 2.790 20 5 EFBDMM CC[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC000820907504 1443633282 /nfs/dbraw/zinc/63/32/82/1443633282.db2.gz DKKZBJAKEVRPOJ-NSHDSACASA-N -1 1 339.359 2.776 20 5 EFBDMM C[C@H](NCc1cc(-c2nnn[n-]2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000820426827 1443689007 /nfs/dbraw/zinc/68/90/07/1443689007.db2.gz ODVVXIFOWSPIGS-VIFPVBQESA-N -1 1 330.373 2.687 20 5 EFBDMM CC[C@H](C)n1nc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1C ZINC000825080953 1443808105 /nfs/dbraw/zinc/80/81/05/1443808105.db2.gz DHGOSWAGRILWEQ-VIFPVBQESA-N -1 1 342.363 2.994 20 5 EFBDMM Cc1cccc2c1CCN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C2 ZINC000737409669 1443849940 /nfs/dbraw/zinc/84/99/40/1443849940.db2.gz PRTBNCZHHCTKAY-UHFFFAOYSA-N -1 1 336.355 2.646 20 5 EFBDMM CC(C)[C@H]1OCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820051906 1443911492 /nfs/dbraw/zinc/91/14/92/1443911492.db2.gz XNWLVWAGTLWEEQ-IAQYHMDHSA-N -1 1 346.391 2.638 20 5 EFBDMM CN(CCC1CCCCC1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821599365 1443955972 /nfs/dbraw/zinc/95/59/72/1443955972.db2.gz QFUVIFLEVUUTDA-UHFFFAOYSA-N -1 1 331.380 2.577 20 5 EFBDMM CC[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000820926768 1443971075 /nfs/dbraw/zinc/97/10/75/1443971075.db2.gz WOJNGIQRLPDDER-CYBMUJFWSA-N -1 1 325.332 2.733 20 5 EFBDMM C[C@H]1CCCC[C@@H]1CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820697854 1446213453 /nfs/dbraw/zinc/21/34/53/1446213453.db2.gz NDDYZJMEPHGOHY-WDEREUQCSA-N -1 1 331.380 2.798 20 5 EFBDMM CC[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000820924861 1446265772 /nfs/dbraw/zinc/26/57/72/1446265772.db2.gz ANESLZSNWPCLPU-CYBMUJFWSA-N -1 1 325.332 2.733 20 5 EFBDMM COc1ccc(CNc2cc([N+](=O)[O-])ccc2F)cc1-c1nnn[n-]1 ZINC000826203914 1446349703 /nfs/dbraw/zinc/34/97/03/1446349703.db2.gz MAIAAKXSJFAVMY-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)o1 ZINC000826282661 1446475664 /nfs/dbraw/zinc/47/56/64/1446475664.db2.gz ZTGAUQRNJACBRB-UHFFFAOYSA-N -1 1 348.706 2.582 20 5 EFBDMM Cc1c(Cl)cnc(NCc2ccccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826240486 1446490992 /nfs/dbraw/zinc/49/09/92/1446490992.db2.gz VRFUVAWFCVOXQN-UHFFFAOYSA-N -1 1 345.750 2.744 20 5 EFBDMM CCCOc1cccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821138609 1446733731 /nfs/dbraw/zinc/73/37/31/1446733731.db2.gz CPHRORAJMFARNS-UHFFFAOYSA-N -1 1 341.331 2.702 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1cc(F)ccc1F ZINC000738357991 1446766556 /nfs/dbraw/zinc/76/65/56/1446766556.db2.gz JLVGVQGLDUBWGK-UHFFFAOYSA-N -1 1 332.270 2.665 20 5 EFBDMM C[C@@H]1CC(C)(C)CC[C@@H]1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820650954 1446973611 /nfs/dbraw/zinc/97/36/11/1446973611.db2.gz ZOIICMJSXVBOHS-KOLCDFICSA-N -1 1 331.380 2.797 20 5 EFBDMM CCC[C@H]1C[C@@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821040358 1447012013 /nfs/dbraw/zinc/01/20/13/1447012013.db2.gz KQGSYFVQHHSIPN-XPTSAGLGSA-N -1 1 339.359 2.924 20 5 EFBDMM CC1(C)CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820596890 1447143679 /nfs/dbraw/zinc/14/36/79/1447143679.db2.gz SWJVSPGXDYMSCH-UHFFFAOYSA-N -1 1 339.359 2.559 20 5 EFBDMM Cc1cc(C)c([N+](=O)[O-])c(Sc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826263798 1447275968 /nfs/dbraw/zinc/27/59/68/1447275968.db2.gz QZFPDLOWXZJCDF-UHFFFAOYSA-N -1 1 328.357 2.938 20 5 EFBDMM O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738173979 1447280821 /nfs/dbraw/zinc/28/08/21/1447280821.db2.gz HQNYXTNSHTYSCC-UHFFFAOYSA-N -1 1 344.718 2.681 20 5 EFBDMM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@H]1C ZINC000820727086 1449246642 /nfs/dbraw/zinc/24/66/42/1449246642.db2.gz GLZXTPKYZAZYBT-ZJUUUORDSA-N -1 1 339.359 2.558 20 5 EFBDMM O=[N+]([O-])c1cccc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000738366936 1449383298 /nfs/dbraw/zinc/38/32/98/1449383298.db2.gz KYMIIBTZBVXYBD-UHFFFAOYSA-N -1 1 347.338 2.687 20 5 EFBDMM C[C@@H](CCc1cccn1C)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000824413023 1449726283 /nfs/dbraw/zinc/72/62/83/1449726283.db2.gz INUHRBSCUVTGKL-NSHDSACASA-N -1 1 341.375 2.547 20 5 EFBDMM O=[N+]([O-])c1cc(Cl)cnc1Sc1cccc(-c2nn[n-]n2)c1 ZINC000823635077 1450103982 /nfs/dbraw/zinc/10/39/82/1450103982.db2.gz QXQVCNLHKFDQSU-UHFFFAOYSA-N -1 1 334.748 2.975 20 5 EFBDMM Cc1c(CNc2ccc(-c3nnn[n-]3)cc2F)cccc1[N+](=O)[O-] ZINC000822026839 1450244257 /nfs/dbraw/zinc/24/42/57/1450244257.db2.gz AJTNISUCXMNDBG-UHFFFAOYSA-N -1 1 328.307 2.835 20 5 EFBDMM Cc1cc([C@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1F ZINC000822191774 1450244581 /nfs/dbraw/zinc/24/45/81/1450244581.db2.gz QDOYOIKTEAYVMJ-VIFPVBQESA-N -1 1 343.322 2.791 20 5 EFBDMM Cc1cccc(C)c1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000123428443 720837800 /nfs/dbraw/zinc/83/78/00/720837800.db2.gz VHCVXGZISSLDMK-UHFFFAOYSA-N -1 1 338.360 2.829 20 5 EFBDMM CCOC(=O)/C=C/c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000917968060 728813190 /nfs/dbraw/zinc/81/31/90/728813190.db2.gz APEVUBNADHUVJO-BJMVGYQFSA-N -1 1 329.312 2.752 20 5 EFBDMM Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000007357346 723435179 /nfs/dbraw/zinc/43/51/79/723435179.db2.gz BQBQJTJPSWKKHW-UHFFFAOYSA-N -1 1 345.739 2.770 20 5 EFBDMM CN(C)C(=O)Sc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000731436248 726863785 /nfs/dbraw/zinc/86/37/85/726863785.db2.gz TYBLABSXVTWJQU-UHFFFAOYSA-N -1 1 334.357 2.949 20 5 EFBDMM CCCN(CC(=O)[O-])Cc1cccc([N+](=O)[O-])c1Br ZINC000233006590 949795900 /nfs/dbraw/zinc/79/59/00/949795900.db2.gz WSCJVLGCCCSSCY-UHFFFAOYSA-N -1 1 331.166 2.654 20 5 EFBDMM CCOc1ccc([N+](=O)[O-])cc1CNCc1ccccc1C(=O)[O-] ZINC001592815670 951366748 /nfs/dbraw/zinc/36/67/48/951366748.db2.gz IIDVZBRFPXBEDX-UHFFFAOYSA-N -1 1 330.340 2.982 20 5 EFBDMM O=C([O-])CN(Cc1ccc([N+](=O)[O-])cc1Br)C1CCC1 ZINC001595072860 951612857 /nfs/dbraw/zinc/61/28/57/951612857.db2.gz QWUYFTCXZLIDRS-UHFFFAOYSA-N -1 1 343.177 2.796 20 5 EFBDMM CCN(Cc1cccc([N+](=O)[O-])c1Br)[C@H](C)C(=O)[O-] ZINC000707972592 954989328 /nfs/dbraw/zinc/98/93/28/954989328.db2.gz NYGJYXZFYKTNIL-MRVPVSSYSA-N -1 1 331.166 2.652 20 5 EFBDMM O=C([O-])[C@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000923233052 957103873 /nfs/dbraw/zinc/10/38/73/957103873.db2.gz XZYXNIBJZCHDBP-GFCCVEGCSA-N -1 1 343.177 2.796 20 5 EFBDMM COc1cc(CN2CCC[C@H](CCC(=O)[O-])C2)c([N+](=O)[O-])cc1F ZINC001594056226 958039699 /nfs/dbraw/zinc/03/96/99/958039699.db2.gz JOQSHTRVLORMHL-LLVKDONJSA-N -1 1 340.351 2.819 20 5 EFBDMM COc1cc(CN2[C@H](C)CCC[C@@H]2C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001594057447 958049373 /nfs/dbraw/zinc/04/93/73/958049373.db2.gz ODZHVGIXYWDRED-BXKDBHETSA-N -1 1 326.324 2.570 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1CN[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001594112234 958523628 /nfs/dbraw/zinc/52/36/28/958523628.db2.gz DZGDGCVROXLIGP-MRXNPFEDSA-N -1 1 330.340 2.827 20 5 EFBDMM CCN(Cc1ccc([N+](=O)[O-])cc1Br)[C@H](C)C(=O)[O-] ZINC000707972821 969031239 /nfs/dbraw/zinc/03/12/39/969031239.db2.gz PQCAHUUHXHLZIZ-MRVPVSSYSA-N -1 1 331.166 2.652 20 5 EFBDMM CC[C@@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccncc1 ZINC001595301329 980436815 /nfs/dbraw/zinc/43/68/15/980436815.db2.gz XCTLDAXYCMVSDE-CQSZACIVSA-N -1 1 345.355 2.694 20 5 EFBDMM O=C([O-])[C@H](CC(F)(F)F)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000901780643 980510928 /nfs/dbraw/zinc/51/09/28/980510928.db2.gz QZNRSEWXKAZQHD-VIFPVBQESA-N -1 1 326.658 2.743 20 5 EFBDMM CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001598523797 992693303 /nfs/dbraw/zinc/69/33/03/992693303.db2.gz OIZLGYDVTVWUKG-UHFFFAOYSA-N -1 1 330.340 2.690 20 5 EFBDMM C[C@@H](NCC(=O)Nc1ccc(C(=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC001593236769 994407617 /nfs/dbraw/zinc/40/76/17/994407617.db2.gz IVNMGXIOLDSLHN-LLVKDONJSA-N -1 1 343.339 2.582 20 5 EFBDMM C[C@H]1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])Cc2ccccc21 ZINC001576362928 1089146078 /nfs/dbraw/zinc/14/60/78/1089146078.db2.gz CWWIMLBNUKIWHN-NSHDSACASA-N -1 1 336.355 2.899 20 5 EFBDMM C[C@H]1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])Cc2ccccc21 ZINC001576362928 1089146086 /nfs/dbraw/zinc/14/60/86/1089146086.db2.gz CWWIMLBNUKIWHN-NSHDSACASA-N -1 1 336.355 2.899 20 5 EFBDMM CCN(Cc1ccccc1)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001578178877 1090293771 /nfs/dbraw/zinc/29/37/71/1090293771.db2.gz LWUCANHEPJUAOR-UHFFFAOYSA-N -1 1 330.373 2.863 20 5 EFBDMM CCN(Cc1ccccc1)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001578178877 1090293777 /nfs/dbraw/zinc/29/37/77/1090293777.db2.gz LWUCANHEPJUAOR-UHFFFAOYSA-N -1 1 330.373 2.863 20 5 EFBDMM CN(C)c1cc(F)cc(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001578997153 1090495571 /nfs/dbraw/zinc/49/55/71/1090495571.db2.gz UXWFRCGHOOLGDK-UHFFFAOYSA-N -1 1 343.322 2.724 20 5 EFBDMM CN(C)c1cc(F)cc(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001578997153 1090495576 /nfs/dbraw/zinc/49/55/76/1090495576.db2.gz UXWFRCGHOOLGDK-UHFFFAOYSA-N -1 1 343.322 2.724 20 5 EFBDMM CN(C)c1ccc(Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cc1F ZINC001578999089 1090495727 /nfs/dbraw/zinc/49/57/27/1090495727.db2.gz WNLHSSPFABVYSP-UHFFFAOYSA-N -1 1 349.351 2.785 20 5 EFBDMM CN(C)c1ccc(Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cc1F ZINC001578999089 1090495733 /nfs/dbraw/zinc/49/57/33/1090495733.db2.gz WNLHSSPFABVYSP-UHFFFAOYSA-N -1 1 349.351 2.785 20 5 EFBDMM COC[C@@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1ccccc1 ZINC001579699842 1090665445 /nfs/dbraw/zinc/66/54/45/1090665445.db2.gz NFTOLGBCHSWCBK-LLVKDONJSA-N -1 1 346.372 2.636 20 5 EFBDMM COC[C@@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1ccccc1 ZINC001579699842 1090665447 /nfs/dbraw/zinc/66/54/47/1090665447.db2.gz NFTOLGBCHSWCBK-LLVKDONJSA-N -1 1 346.372 2.636 20 5 EFBDMM COCc1ccc(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC001579832129 1090699735 /nfs/dbraw/zinc/69/97/35/1090699735.db2.gz SASSYTRGHHDGFZ-UHFFFAOYSA-N -1 1 326.316 2.665 20 5 EFBDMM COCc1ccc(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC001579832129 1090699738 /nfs/dbraw/zinc/69/97/38/1090699738.db2.gz SASSYTRGHHDGFZ-UHFFFAOYSA-N -1 1 326.316 2.665 20 5 EFBDMM Cc1ccc(C)c([C@@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001581182980 1091088720 /nfs/dbraw/zinc/08/87/20/1091088720.db2.gz SZWZZCRHAQDGPV-LLVKDONJSA-N -1 1 339.359 2.960 20 5 EFBDMM Cc1ccc(C)c([C@@H](C)Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001581182980 1091088723 /nfs/dbraw/zinc/08/87/23/1091088723.db2.gz SZWZZCRHAQDGPV-LLVKDONJSA-N -1 1 339.359 2.960 20 5 EFBDMM Cc1cccnc1[C@@H](C)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001581264446 1091108852 /nfs/dbraw/zinc/10/88/52/1091108852.db2.gz AQINXDYDMISCPK-MRVPVSSYSA-N -1 1 331.361 2.713 20 5 EFBDMM Cc1cccnc1[C@@H](C)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001581264446 1091108857 /nfs/dbraw/zinc/10/88/57/1091108857.db2.gz AQINXDYDMISCPK-MRVPVSSYSA-N -1 1 331.361 2.713 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1cc(F)cc(Cl)c1 ZINC001582802217 1091666844 /nfs/dbraw/zinc/66/68/44/1091666844.db2.gz LYXWCNRODDDQOP-UHFFFAOYSA-N -1 1 336.670 2.755 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1cc(F)cc(Cl)c1 ZINC001582802217 1091666846 /nfs/dbraw/zinc/66/68/46/1091666846.db2.gz LYXWCNRODDDQOP-UHFFFAOYSA-N -1 1 336.670 2.755 20 5 EFBDMM O=[N+]([O-])c1c(Oc2cnc(F)cc2Cl)cccc1-c1nnn[n-]1 ZINC001582802099 1091667312 /nfs/dbraw/zinc/66/73/12/1091667312.db2.gz JPBUKDUEOWJWHK-UHFFFAOYSA-N -1 1 336.670 2.755 20 5 EFBDMM O=[N+]([O-])c1c(Oc2cnc(F)cc2Cl)cccc1-c1nn[n-]n1 ZINC001582802099 1091667318 /nfs/dbraw/zinc/66/73/18/1091667318.db2.gz JPBUKDUEOWJWHK-UHFFFAOYSA-N -1 1 336.670 2.755 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCc2cccc(F)c2C1 ZINC001582805103 1091670462 /nfs/dbraw/zinc/67/04/62/1091670462.db2.gz ZQEJTXOYCBJTNN-UHFFFAOYSA-N -1 1 346.347 2.538 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCc2cccc(F)c2C1 ZINC001582805103 1091670465 /nfs/dbraw/zinc/67/04/65/1091670465.db2.gz ZQEJTXOYCBJTNN-UHFFFAOYSA-N -1 1 346.347 2.538 20 5 EFBDMM CC(=O)c1ccc(Oc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC001588917593 1093011179 /nfs/dbraw/zinc/01/11/79/1093011179.db2.gz UGMNTUSZKQRLBV-UHFFFAOYSA-N -1 1 325.284 2.770 20 5 EFBDMM CC(=O)c1ccc(Oc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC001588917593 1093011185 /nfs/dbraw/zinc/01/11/85/1093011185.db2.gz UGMNTUSZKQRLBV-UHFFFAOYSA-N -1 1 325.284 2.770 20 5 EFBDMM CC(C)(C)O[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001589197724 1093045702 /nfs/dbraw/zinc/04/57/02/1093045702.db2.gz KHILUNMLRJWZGE-PHIMTYICSA-N -1 1 332.364 2.533 20 5 EFBDMM CC(C)(C)O[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001589197724 1093045709 /nfs/dbraw/zinc/04/57/09/1093045709.db2.gz KHILUNMLRJWZGE-PHIMTYICSA-N -1 1 332.364 2.533 20 5 EFBDMM CC(C)(CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1ccccn1 ZINC001589288310 1093065247 /nfs/dbraw/zinc/06/52/47/1093065247.db2.gz MUYLVIQNACWETP-UHFFFAOYSA-N -1 1 345.388 2.621 20 5 EFBDMM CC(C)(CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1ccccn1 ZINC001589288310 1093065258 /nfs/dbraw/zinc/06/52/58/1093065258.db2.gz MUYLVIQNACWETP-UHFFFAOYSA-N -1 1 345.388 2.621 20 5 EFBDMM CC(C)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])CC(F)(F)F ZINC001589292220 1093067093 /nfs/dbraw/zinc/06/70/93/1093067093.db2.gz JBXCLUNAFGCBHZ-UHFFFAOYSA-N -1 1 345.285 2.560 20 5 EFBDMM CC(C)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])CC(F)(F)F ZINC001589292220 1093067102 /nfs/dbraw/zinc/06/71/02/1093067102.db2.gz JBXCLUNAFGCBHZ-UHFFFAOYSA-N -1 1 345.285 2.560 20 5 EFBDMM CC(C)(CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccncc1 ZINC001589292690 1093068827 /nfs/dbraw/zinc/06/88/27/1093068827.db2.gz HPRZNYWFMFJICB-UHFFFAOYSA-N -1 1 339.359 2.560 20 5 EFBDMM CC(C)(CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccncc1 ZINC001589292690 1093068835 /nfs/dbraw/zinc/06/88/35/1093068835.db2.gz HPRZNYWFMFJICB-UHFFFAOYSA-N -1 1 339.359 2.560 20 5 EFBDMM CC(C)C1CCC(Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001589501083 1093095614 /nfs/dbraw/zinc/09/56/14/1093095614.db2.gz BMGAUTYFDFCFCL-UHFFFAOYSA-N -1 1 345.407 2.984 20 5 EFBDMM CC(C)C1CCC(Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001589501083 1093095624 /nfs/dbraw/zinc/09/56/24/1093095624.db2.gz BMGAUTYFDFCFCL-UHFFFAOYSA-N -1 1 345.407 2.984 20 5 EFBDMM CC(C)C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCO1 ZINC001589571231 1093108474 /nfs/dbraw/zinc/10/84/74/1093108474.db2.gz GZYNXTCZSGHYQM-STQMWFEESA-N -1 1 346.391 2.781 20 5 EFBDMM CC(C)C[C@@H]1OCCC[C@@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001589573354 1093109128 /nfs/dbraw/zinc/10/91/28/1093109128.db2.gz JSJPEVZMGLHYLO-ZFWWWQNUSA-N -1 1 346.391 2.781 20 5 EFBDMM CC(C)O[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1(C)C ZINC001589738980 1093131848 /nfs/dbraw/zinc/13/18/48/1093131848.db2.gz BDKUFFKTBHNZLZ-UONOGXRCSA-N -1 1 346.391 2.779 20 5 EFBDMM C[C@@H](CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])CC(F)(F)F ZINC001589876216 1093162246 /nfs/dbraw/zinc/16/22/46/1093162246.db2.gz RDRDBUQJMUXYJE-RXMQYKEDSA-N -1 1 336.299 2.837 20 5 EFBDMM C[C@@H](CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])CC(F)(F)F ZINC001589876216 1093162248 /nfs/dbraw/zinc/16/22/48/1093162248.db2.gz RDRDBUQJMUXYJE-RXMQYKEDSA-N -1 1 336.299 2.837 20 5 EFBDMM C[C@@H](CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)CC(F)(F)F ZINC001589876577 1093162576 /nfs/dbraw/zinc/16/25/76/1093162576.db2.gz GNLRJNIPOCWXGN-SSDOTTSWSA-N -1 1 330.270 2.775 20 5 EFBDMM CC1(C)[C@H](CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1(F)F ZINC001590077055 1093251242 /nfs/dbraw/zinc/25/12/42/1093251242.db2.gz OASIPHMJUPLCCU-ZETCQYMHSA-N -1 1 330.320 2.540 20 5 EFBDMM CC1(C)[C@H](CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1(F)F ZINC001590077055 1093251246 /nfs/dbraw/zinc/25/12/46/1093251246.db2.gz OASIPHMJUPLCCU-ZETCQYMHSA-N -1 1 330.320 2.540 20 5 EFBDMM CC1(C)C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCS1 ZINC001590083842 1093256409 /nfs/dbraw/zinc/25/64/09/1093256409.db2.gz LBRJDLNMQUMCOH-JTQLQIEISA-N -1 1 334.405 2.861 20 5 EFBDMM CC1(C)C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCS1 ZINC001590083842 1093256414 /nfs/dbraw/zinc/25/64/14/1093256414.db2.gz LBRJDLNMQUMCOH-JTQLQIEISA-N -1 1 334.405 2.861 20 5 EFBDMM CC1(C)C[C@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCS1 ZINC001590083903 1093257645 /nfs/dbraw/zinc/25/76/45/1093257645.db2.gz NSIOUFKKWRFKKF-SECBINFHSA-N -1 1 334.405 2.861 20 5 EFBDMM CC1(C)C[C@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCS1 ZINC001590083903 1093257651 /nfs/dbraw/zinc/25/76/51/1093257651.db2.gz NSIOUFKKWRFKKF-SECBINFHSA-N -1 1 334.405 2.861 20 5 EFBDMM C[C@]1(CCNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C[C@@]1(F)Cl ZINC001590126551 1093278896 /nfs/dbraw/zinc/27/88/96/1093278896.db2.gz FNMFDHOCJLKJKH-QWRGUYRKSA-N -1 1 346.775 2.953 20 5 EFBDMM C[C@]1(CCNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C[C@@]1(F)Cl ZINC001590126551 1093278903 /nfs/dbraw/zinc/27/89/03/1093278903.db2.gz FNMFDHOCJLKJKH-QWRGUYRKSA-N -1 1 346.775 2.953 20 5 EFBDMM C[C@]1(c2ccccc2)C[C@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590151929 1093285527 /nfs/dbraw/zinc/28/55/27/1093285527.db2.gz MDFMPQICKZULQG-IUODEOHRSA-N -1 1 342.384 2.979 20 5 EFBDMM C[C@]1(c2ccccc2)C[C@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590151929 1093285530 /nfs/dbraw/zinc/28/55/30/1093285530.db2.gz MDFMPQICKZULQG-IUODEOHRSA-N -1 1 342.384 2.979 20 5 EFBDMM C[C@H]1CC(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@H](C)C1 ZINC001590187505 1093295411 /nfs/dbraw/zinc/29/54/11/1093295411.db2.gz LWALFEVYYXZYAL-NXEZZACHSA-N -1 1 331.380 2.654 20 5 EFBDMM C[C@H]1CC(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@H](C)C1 ZINC001590187505 1093295416 /nfs/dbraw/zinc/29/54/16/1093295416.db2.gz LWALFEVYYXZYAL-NXEZZACHSA-N -1 1 331.380 2.654 20 5 EFBDMM C[C@@H]1CC(Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@@H](C)C1 ZINC001590189262 1093299730 /nfs/dbraw/zinc/29/97/30/1093299730.db2.gz VNFOSCNCZYEEAY-IUCAKERBSA-N -1 1 331.380 2.594 20 5 EFBDMM C[C@@H]1CC(Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@@H](C)C1 ZINC001590189262 1093299734 /nfs/dbraw/zinc/29/97/34/1093299734.db2.gz VNFOSCNCZYEEAY-IUCAKERBSA-N -1 1 331.380 2.594 20 5 EFBDMM C[C@H]1CC(CCNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@H](C)O1 ZINC001590191210 1093300531 /nfs/dbraw/zinc/30/05/31/1093300531.db2.gz VHSXVWGUCOEBFP-QWRGUYRKSA-N -1 1 346.391 2.781 20 5 EFBDMM C[C@H]1CC(CCNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@H](C)O1 ZINC001590191210 1093300537 /nfs/dbraw/zinc/30/05/37/1093300537.db2.gz VHSXVWGUCOEBFP-QWRGUYRKSA-N -1 1 346.391 2.781 20 5 EFBDMM C[C@@H]1CC[C@]2(CCN(c3cccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)C1 ZINC001590240203 1093328306 /nfs/dbraw/zinc/32/83/06/1093328306.db2.gz PRVMSMDXXRLFIG-BZNIZROVSA-N -1 1 328.376 2.791 20 5 EFBDMM C[C@@H]1CC[C@]2(CCN(c3cccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)C1 ZINC001590240203 1093328314 /nfs/dbraw/zinc/32/83/14/1093328314.db2.gz PRVMSMDXXRLFIG-BZNIZROVSA-N -1 1 328.376 2.791 20 5 EFBDMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC001590312549 1093369905 /nfs/dbraw/zinc/36/99/05/1093369905.db2.gz JMSXSBQFDRZCMG-BBBLOLIVSA-N -1 1 334.405 2.851 20 5 EFBDMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC001590312549 1093369912 /nfs/dbraw/zinc/36/99/12/1093369912.db2.gz JMSXSBQFDRZCMG-BBBLOLIVSA-N -1 1 334.405 2.851 20 5 EFBDMM CC[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1nccs1 ZINC001590473581 1093446527 /nfs/dbraw/zinc/44/65/27/1093446527.db2.gz QKESXDRCMFFIBQ-SNVBAGLBSA-N -1 1 331.361 2.795 20 5 EFBDMM CCCc1nc(C)c(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)o1 ZINC001590660557 1093533039 /nfs/dbraw/zinc/53/30/39/1093533039.db2.gz RBGBZQLSTWFIGB-UHFFFAOYSA-N -1 1 343.347 2.636 20 5 EFBDMM CCCc1nc(C)c(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)o1 ZINC001590660557 1093533050 /nfs/dbraw/zinc/53/30/50/1093533050.db2.gz RBGBZQLSTWFIGB-UHFFFAOYSA-N -1 1 343.347 2.636 20 5 EFBDMM CCO[C@@H]1CCCC[C@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590820081 1093581383 /nfs/dbraw/zinc/58/13/83/1093581383.db2.gz ZMSJSRSZSOYNFH-PSASIEDQSA-N -1 1 338.393 2.596 20 5 EFBDMM CCO[C@@H]1CCCC[C@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590820081 1093581390 /nfs/dbraw/zinc/58/13/90/1093581390.db2.gz ZMSJSRSZSOYNFH-PSASIEDQSA-N -1 1 338.393 2.596 20 5 EFBDMM CCS[C@@H]1CCC[C@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590850856 1093596280 /nfs/dbraw/zinc/59/62/80/1093596280.db2.gz PVTGEYYDDBOZNY-VXNVDRBHSA-N -1 1 340.434 2.923 20 5 EFBDMM CCS[C@@H]1CCC[C@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590850856 1093596289 /nfs/dbraw/zinc/59/62/89/1093596289.db2.gz PVTGEYYDDBOZNY-VXNVDRBHSA-N -1 1 340.434 2.923 20 5 EFBDMM CCc1nc(Oc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2nnn[n-]2)n1 ZINC001590925749 1093632924 /nfs/dbraw/zinc/63/29/24/1093632924.db2.gz VRXGTPBKQJOALG-UHFFFAOYSA-N -1 1 347.722 2.573 20 5 EFBDMM CCc1nc(Oc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2nn[n-]n2)n1 ZINC001590925749 1093632927 /nfs/dbraw/zinc/63/29/27/1093632927.db2.gz VRXGTPBKQJOALG-UHFFFAOYSA-N -1 1 347.722 2.573 20 5 EFBDMM CN(Cc1ccc(F)c(F)c1)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591139779 1093670064 /nfs/dbraw/zinc/67/00/64/1093670064.db2.gz LYTTWHVPACDORP-UHFFFAOYSA-N -1 1 346.297 2.690 20 5 EFBDMM CN(Cc1ccc(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591139779 1093670068 /nfs/dbraw/zinc/67/00/68/1093670068.db2.gz LYTTWHVPACDORP-UHFFFAOYSA-N -1 1 346.297 2.690 20 5 EFBDMM COCC(C)(C)CCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591368978 1093705484 /nfs/dbraw/zinc/70/54/84/1093705484.db2.gz ZBQLTRYIWRDYAR-UHFFFAOYSA-N -1 1 334.380 2.640 20 5 EFBDMM COCC(C)(C)CCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591368978 1093705491 /nfs/dbraw/zinc/70/54/91/1093705491.db2.gz ZBQLTRYIWRDYAR-UHFFFAOYSA-N -1 1 334.380 2.640 20 5 EFBDMM COc1cc(Oc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])ccc1F ZINC001591554113 1093766516 /nfs/dbraw/zinc/76/65/16/1093766516.db2.gz YIAGMJYMCASGOZ-UHFFFAOYSA-N -1 1 337.292 2.776 20 5 EFBDMM COc1cc(Oc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])ccc1F ZINC001591554113 1093766521 /nfs/dbraw/zinc/76/65/21/1093766521.db2.gz YIAGMJYMCASGOZ-UHFFFAOYSA-N -1 1 337.292 2.776 20 5 EFBDMM COc1ccccc1Sc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591654128 1093820710 /nfs/dbraw/zinc/82/07/10/1093820710.db2.gz DPFBMLWIUHVNLY-UHFFFAOYSA-N -1 1 329.341 2.935 20 5 EFBDMM COc1ccccc1Sc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591654128 1093820718 /nfs/dbraw/zinc/82/07/18/1093820718.db2.gz DPFBMLWIUHVNLY-UHFFFAOYSA-N -1 1 329.341 2.935 20 5 EFBDMM CS[C@@H]1CC[C@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001591691183 1093826846 /nfs/dbraw/zinc/82/68/46/1093826846.db2.gz WOUWADNISRIDQP-NKWVEPMBSA-N -1 1 326.407 2.532 20 5 EFBDMM CS[C@@H]1CC[C@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001591691183 1093826850 /nfs/dbraw/zinc/82/68/50/1093826850.db2.gz WOUWADNISRIDQP-NKWVEPMBSA-N -1 1 326.407 2.532 20 5 EFBDMM CSc1cc(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccn1 ZINC001591707086 1093836497 /nfs/dbraw/zinc/83/64/97/1093836497.db2.gz TWRBXKPWBSKCEU-UHFFFAOYSA-N -1 1 343.372 2.504 20 5 EFBDMM CSc1cc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccn1 ZINC001591707086 1093836499 /nfs/dbraw/zinc/83/64/99/1093836499.db2.gz TWRBXKPWBSKCEU-UHFFFAOYSA-N -1 1 343.372 2.504 20 5 EFBDMM Cc1cc(F)c(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(F)c1 ZINC001591988402 1093948500 /nfs/dbraw/zinc/94/85/00/1093948500.db2.gz TULMHSYRPFSHRM-UHFFFAOYSA-N -1 1 346.297 2.974 20 5 EFBDMM Cc1cc(F)c(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(F)c1 ZINC001591988402 1093948504 /nfs/dbraw/zinc/94/85/04/1093948504.db2.gz TULMHSYRPFSHRM-UHFFFAOYSA-N -1 1 346.297 2.974 20 5 EFBDMM Cc1cc(NCC2(C)CC(F)(F)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592041795 1093966024 /nfs/dbraw/zinc/96/60/24/1093966024.db2.gz TYEIIHQKXRXNOH-UHFFFAOYSA-N -1 1 338.318 2.931 20 5 EFBDMM Cc1cc(NCC2(C)CC(F)(F)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592041795 1093966030 /nfs/dbraw/zinc/96/60/30/1093966030.db2.gz TYEIIHQKXRXNOH-UHFFFAOYSA-N -1 1 338.318 2.931 20 5 EFBDMM Cc1ccc(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1F ZINC001592166875 1094011124 /nfs/dbraw/zinc/01/11/24/1094011124.db2.gz LWDPGLHSDDONKQ-UHFFFAOYSA-N -1 1 328.307 2.835 20 5 EFBDMM Cc1ccc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1F ZINC001592166875 1094011128 /nfs/dbraw/zinc/01/11/28/1094011128.db2.gz LWDPGLHSDDONKQ-UHFFFAOYSA-N -1 1 328.307 2.835 20 5 EFBDMM Cc1ccc2c(c1)[C@H](Nc1ccc(-c3nn[n-]n3)c([N+](=O)[O-])c1)CO2 ZINC001592200703 1094027704 /nfs/dbraw/zinc/02/77/04/1094027704.db2.gz KBMRXSVIEIBXDE-CYBMUJFWSA-N -1 1 338.327 2.629 20 5 EFBDMM Cc1ccc2c(c1)[C@H](Nc1ccc([N+](=O)[O-])c(-c3nnn[n-]3)c1)CO2 ZINC001592200169 1094027779 /nfs/dbraw/zinc/02/77/79/1094027779.db2.gz GRZXEYNBYRIKDV-CYBMUJFWSA-N -1 1 338.327 2.629 20 5 EFBDMM Cc1ccc2c(c1)[C@H](Nc1ccc([N+](=O)[O-])c(-c3nn[n-]n3)c1)CO2 ZINC001592200169 1094027785 /nfs/dbraw/zinc/02/77/85/1094027785.db2.gz GRZXEYNBYRIKDV-CYBMUJFWSA-N -1 1 338.327 2.629 20 5 EFBDMM Cc1nc(Sc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])oc1C ZINC001592399453 1094100032 /nfs/dbraw/zinc/10/00/32/1094100032.db2.gz HZLCCABYIBIHNB-UHFFFAOYSA-N -1 1 336.308 2.670 20 5 EFBDMM Cc1noc(C)c1[C@H](C)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001592456043 1094107878 /nfs/dbraw/zinc/10/78/78/1094107878.db2.gz DNOKJUDUCVTNDP-ZETCQYMHSA-N -1 1 329.320 2.553 20 5 EFBDMM Cc1nsc(Oc2ccc([N+](=O)[O-])c(Cl)c2)c1-c1nnn[n-]1 ZINC001592494411 1094112631 /nfs/dbraw/zinc/11/26/31/1094112631.db2.gz OYEWWSVRZIIKEW-UHFFFAOYSA-N -1 1 338.736 2.986 20 5 EFBDMM Cc1nsc(Oc2ccc([N+](=O)[O-])c(Cl)c2)c1-c1nn[n-]n1 ZINC001592494411 1094112633 /nfs/dbraw/zinc/11/26/33/1094112633.db2.gz OYEWWSVRZIIKEW-UHFFFAOYSA-N -1 1 338.736 2.986 20 5 EFBDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001592502679 1094115484 /nfs/dbraw/zinc/11/54/84/1094115484.db2.gz VJUGQEHWTAKAQZ-MRVPVSSYSA-N -1 1 343.299 2.594 20 5 EFBDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001592502679 1094115487 /nfs/dbraw/zinc/11/54/87/1094115487.db2.gz VJUGQEHWTAKAQZ-MRVPVSSYSA-N -1 1 343.299 2.594 20 5 EFBDMM O=C(Nc1cccc([N+](=O)[O-])c1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593247897 1094253108 /nfs/dbraw/zinc/25/31/08/1094253108.db2.gz MTCWSLHHZXTCKP-UHFFFAOYSA-N -1 1 349.310 2.509 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC(C(F)(F)F)CC1 ZINC001593466912 1094308081 /nfs/dbraw/zinc/30/80/81/1094308081.db2.gz PBVZAKWTKJDHNX-UHFFFAOYSA-N -1 1 342.281 2.554 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC(C(F)(F)F)CC1 ZINC001593466912 1094308090 /nfs/dbraw/zinc/30/80/90/1094308090.db2.gz PBVZAKWTKJDHNX-UHFFFAOYSA-N -1 1 342.281 2.554 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC[C@@H](c2ccccc2)C1 ZINC001593467272 1094308145 /nfs/dbraw/zinc/30/81/45/1094308145.db2.gz VBXPCCJWORWPKM-CYBMUJFWSA-N -1 1 336.355 2.769 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC[C@@H](c2ccccc2)C1 ZINC001593467272 1094308151 /nfs/dbraw/zinc/30/81/51/1094308151.db2.gz VBXPCCJWORWPKM-CYBMUJFWSA-N -1 1 336.355 2.769 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1CCC2(CC2)CC1 ZINC001593465118 1094308462 /nfs/dbraw/zinc/30/84/62/1094308462.db2.gz CPKFPASEXFFPGC-UHFFFAOYSA-N -1 1 329.364 2.552 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1CCC2(CC2)CC1 ZINC001593465118 1094308467 /nfs/dbraw/zinc/30/84/67/1094308467.db2.gz CPKFPASEXFFPGC-UHFFFAOYSA-N -1 1 329.364 2.552 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC2(C1)CCCCC2 ZINC001593467279 1094309234 /nfs/dbraw/zinc/30/92/34/1094309234.db2.gz VFHVLRJGFCOYGT-UHFFFAOYSA-N -1 1 328.376 2.936 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC2(C1)CCCCC2 ZINC001593467279 1094309240 /nfs/dbraw/zinc/30/92/40/1094309240.db2.gz VFHVLRJGFCOYGT-UHFFFAOYSA-N -1 1 328.376 2.936 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1Cc2cccc(Cl)c2C1 ZINC001593465438 1094309325 /nfs/dbraw/zinc/30/93/25/1094309325.db2.gz AGAYBLAVMCYRAM-UHFFFAOYSA-N -1 1 342.746 2.949 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1Cc2cccc(Cl)c2C1 ZINC001593465438 1094309334 /nfs/dbraw/zinc/30/93/34/1094309334.db2.gz AGAYBLAVMCYRAM-UHFFFAOYSA-N -1 1 342.746 2.949 20 5 EFBDMM O=[N+]([O-])c1c(NCCCNc2ccccc2)cccc1-c1nnn[n-]1 ZINC001593465210 1094309607 /nfs/dbraw/zinc/30/96/07/1094309607.db2.gz JRHWUBGCUMZWBV-UHFFFAOYSA-N -1 1 339.359 2.689 20 5 EFBDMM O=[N+]([O-])c1c(NCCCNc2ccccc2)cccc1-c1nn[n-]n1 ZINC001593465210 1094309617 /nfs/dbraw/zinc/30/96/17/1094309617.db2.gz JRHWUBGCUMZWBV-UHFFFAOYSA-N -1 1 339.359 2.689 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC2(CCC2)c2ccccc21 ZINC001593466127 1094309635 /nfs/dbraw/zinc/30/96/35/1094309635.db2.gz MSGYSWZXIOTNLL-UHFFFAOYSA-N -1 1 349.354 2.743 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC2(CCC2)c2ccccc21 ZINC001593466127 1094309638 /nfs/dbraw/zinc/30/96/38/1094309638.db2.gz MSGYSWZXIOTNLL-UHFFFAOYSA-N -1 1 349.354 2.743 20 5 EFBDMM O=[N+]([O-])c1c(N[C@H]2CCCc3cccnc32)cccc1-c1nnn[n-]1 ZINC001593469071 1094311801 /nfs/dbraw/zinc/31/18/01/1094311801.db2.gz LXNGMGFMTFQDRK-LBPRGKRZSA-N -1 1 337.343 2.659 20 5 EFBDMM O=[N+]([O-])c1c(N[C@H]2CCCc3cccnc32)cccc1-c1nn[n-]n1 ZINC001593469071 1094311805 /nfs/dbraw/zinc/31/18/05/1094311805.db2.gz LXNGMGFMTFQDRK-LBPRGKRZSA-N -1 1 337.343 2.659 20 5 EFBDMM O=[N+]([O-])c1cc(N[C@@H](CO)CC2CCCCC2)ccc1-c1nn[n-]n1 ZINC001593473493 1094316912 /nfs/dbraw/zinc/31/69/12/1094316912.db2.gz FOQRDVWDYIQKRV-CYBMUJFWSA-N -1 1 346.391 2.518 20 5 EFBDMM O=[N+]([O-])c1cc(Nc2cnn(-c3ccccc3)c2)ccc1-c1nn[n-]n1 ZINC001593474090 1094317729 /nfs/dbraw/zinc/31/77/29/1094317729.db2.gz PEDHSDSHLKBJJO-UHFFFAOYSA-N -1 1 348.326 2.704 20 5 EFBDMM O=[N+]([O-])c1cc(NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)ccc1-c1nn[n-]n1 ZINC001593473684 1094318514 /nfs/dbraw/zinc/31/85/14/1094318514.db2.gz JNBWLQDGNJEVLJ-BFYDXBDKSA-N -1 1 348.366 2.773 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CCC3(C2)CCCCC3)cc1-c1nnn[n-]1 ZINC001593475657 1094319824 /nfs/dbraw/zinc/31/98/24/1094319824.db2.gz CGOMZBOBHGPLSR-UHFFFAOYSA-N -1 1 328.376 2.936 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CCC3(C2)CCCCC3)cc1-c1nn[n-]n1 ZINC001593475657 1094319829 /nfs/dbraw/zinc/31/98/29/1094319829.db2.gz CGOMZBOBHGPLSR-UHFFFAOYSA-N -1 1 328.376 2.936 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CCC(C3CCC3)CC2)cc1-c1nnn[n-]1 ZINC001593476548 1094320392 /nfs/dbraw/zinc/32/03/92/1094320392.db2.gz QRJBMGQNBJKEFM-UHFFFAOYSA-N -1 1 328.376 2.791 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CCC(C3CCC3)CC2)cc1-c1nn[n-]n1 ZINC001593476548 1094320402 /nfs/dbraw/zinc/32/04/02/1094320402.db2.gz QRJBMGQNBJKEFM-UHFFFAOYSA-N -1 1 328.376 2.791 20 5 EFBDMM O=[N+]([O-])c1cc(NCCC[C@H]2CCCCO2)ccc1-c1nn[n-]n1 ZINC001593474952 1094321270 /nfs/dbraw/zinc/32/12/70/1094321270.db2.gz WDMHIZHBNYURON-GFCCVEGCSA-N -1 1 332.364 2.536 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@H](CO)CC2CCCCC2)cc1-c1nnn[n-]1 ZINC001593478963 1094323750 /nfs/dbraw/zinc/32/37/50/1094323750.db2.gz NBOXKEICIOQMGH-ZDUSSCGKSA-N -1 1 346.391 2.518 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@H](CO)CC2CCCCC2)cc1-c1nn[n-]n1 ZINC001593478963 1094323757 /nfs/dbraw/zinc/32/37/57/1094323757.db2.gz NBOXKEICIOQMGH-ZDUSSCGKSA-N -1 1 346.391 2.518 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCC[C@H]2CCCC[C@@H]2O)cc1-c1nnn[n-]1 ZINC001593478215 1094323815 /nfs/dbraw/zinc/32/38/15/1094323815.db2.gz RJGKPZSKZTWTHE-ABAIWWIYSA-N -1 1 346.391 2.518 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCC[C@H]2CCCC[C@@H]2O)cc1-c1nn[n-]n1 ZINC001593478215 1094323830 /nfs/dbraw/zinc/32/38/30/1094323830.db2.gz RJGKPZSKZTWTHE-ABAIWWIYSA-N -1 1 346.391 2.518 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001593487268 1094328315 /nfs/dbraw/zinc/32/83/15/1094328315.db2.gz BBMLVEGAAKDRSV-DSYKOEDSSA-N -1 1 342.331 2.682 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001593487268 1094328329 /nfs/dbraw/zinc/32/83/29/1094328329.db2.gz BBMLVEGAAKDRSV-DSYKOEDSSA-N -1 1 342.331 2.682 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001593488448 1094329036 /nfs/dbraw/zinc/32/90/36/1094329036.db2.gz XXPICHRLSIZRGR-QWRGUYRKSA-N -1 1 346.416 2.851 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001593488448 1094329042 /nfs/dbraw/zinc/32/90/42/1094329042.db2.gz XXPICHRLSIZRGR-QWRGUYRKSA-N -1 1 346.416 2.851 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@H]1C[C@H]1c1ccccc1 ZINC001593488895 1094330635 /nfs/dbraw/zinc/33/06/35/1094330635.db2.gz OGRZKPRCZOXQPF-UWVGGRQHSA-N -1 1 328.357 2.804 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@H]1C[C@H]1c1ccccc1 ZINC001593488895 1094330642 /nfs/dbraw/zinc/33/06/42/1094330642.db2.gz OGRZKPRCZOXQPF-UWVGGRQHSA-N -1 1 328.357 2.804 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001593489242 1094332859 /nfs/dbraw/zinc/33/28/59/1094332859.db2.gz XPGAKBYDDDHGNU-BXUZGUMPSA-N -1 1 346.347 2.886 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001593489242 1094332868 /nfs/dbraw/zinc/33/28/68/1094332868.db2.gz XPGAKBYDDDHGNU-BXUZGUMPSA-N -1 1 346.347 2.886 20 5 EFBDMM Cc1cc([N+](=O)[O-])ccc1CN1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001600304904 1094957168 /nfs/dbraw/zinc/95/71/68/1094957168.db2.gz USNRVSLHXPYAFO-ZDUSSCGKSA-N -1 1 332.278 2.742 20 5 EFBDMM Cc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c(C(=O)[O-])c1C ZINC001600456595 1095080485 /nfs/dbraw/zinc/08/04/85/1095080485.db2.gz PIRXAXKAOBQPIW-UHFFFAOYSA-N -1 1 330.296 2.868 20 5 EFBDMM Cc1nn(CN2CCCC[C@@H]2CC(=O)[O-])c2cc([N+](=O)[O-])ccc12 ZINC001600788923 1095334625 /nfs/dbraw/zinc/33/46/25/1095334625.db2.gz KWSBUNHRYXZBSP-GFCCVEGCSA-N -1 1 332.360 2.540 20 5 EFBDMM O=C([O-])c1c[nH]c2cc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)ccc12 ZINC001601612230 1095763925 /nfs/dbraw/zinc/76/39/25/1095763925.db2.gz XGCHGEUJOXKDNO-UHFFFAOYSA-N -1 1 341.279 2.732 20 5 EFBDMM O=C([O-])C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)c2ccccc21 ZINC001601960198 1095994530 /nfs/dbraw/zinc/99/45/30/1095994530.db2.gz XNHVBDSHWHHQEU-LLVKDONJSA-N -1 1 342.307 2.519 20 5 EFBDMM O=C([O-])c1cc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c[nH]1 ZINC001602256675 1096142780 /nfs/dbraw/zinc/14/27/80/1096142780.db2.gz NILZIFFSSATQJV-UHFFFAOYSA-N -1 1 345.355 2.665 20 5 EFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(NCCc2nc3ccc(F)cc3[nH]2)c1 ZINC001602405767 1096225452 /nfs/dbraw/zinc/22/54/52/1096225452.db2.gz LEKSPAQCLFVFSG-UHFFFAOYSA-N -1 1 344.302 2.963 20 5 EFBDMM O=C([O-])c1cccc2c1CCN(Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC001602456747 1096254874 /nfs/dbraw/zinc/25/48/74/1096254874.db2.gz AMQVZULITZGMLC-UHFFFAOYSA-N -1 1 328.324 2.557 20 5 EFBDMM C[C@@H](CCc1ccco1)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603502412 1096539810 /nfs/dbraw/zinc/53/98/10/1096539810.db2.gz DDGDSMNOCSTAMY-JTQLQIEISA-N -1 1 328.332 2.801 20 5 EFBDMM C[C@@H](CCc1ccco1)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603502412 1096539819 /nfs/dbraw/zinc/53/98/19/1096539819.db2.gz DDGDSMNOCSTAMY-JTQLQIEISA-N -1 1 328.332 2.801 20 5 EFBDMM CC1(C)CCC[C@@H](CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001603773660 1096622689 /nfs/dbraw/zinc/62/26/89/1096622689.db2.gz GTMVBZKSYJYQRA-SNVBAGLBSA-N -1 1 331.380 2.798 20 5 EFBDMM CC1(C)CCC[C@@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001603773660 1096622692 /nfs/dbraw/zinc/62/26/92/1096622692.db2.gz GTMVBZKSYJYQRA-SNVBAGLBSA-N -1 1 331.380 2.798 20 5 EFBDMM C[C@H]1[C@H](C(F)(F)F)CCN1c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603837512 1096641382 /nfs/dbraw/zinc/64/13/82/1096641382.db2.gz UVTWVULUJAOADZ-OIBJUYFYSA-N -1 1 342.281 2.552 20 5 EFBDMM C[C@H]1[C@H](C(F)(F)F)CCN1c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603837512 1096641387 /nfs/dbraw/zinc/64/13/87/1096641387.db2.gz UVTWVULUJAOADZ-OIBJUYFYSA-N -1 1 342.281 2.552 20 5 EFBDMM C[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603870855 1096650319 /nfs/dbraw/zinc/65/03/19/1096650319.db2.gz HISNWEMUCFYTJP-GYSYKLTISA-N -1 1 328.376 2.932 20 5 EFBDMM C[C@@H]1CCC[C@H](CNc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001603887938 1096658463 /nfs/dbraw/zinc/65/84/63/1096658463.db2.gz TYZLSMPQEGIXEQ-ZJUUUORDSA-N -1 1 331.380 2.595 20 5 EFBDMM C[C@@H]1CCC[C@H](CNc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001603887938 1096658469 /nfs/dbraw/zinc/65/84/69/1096658469.db2.gz TYZLSMPQEGIXEQ-ZJUUUORDSA-N -1 1 331.380 2.595 20 5 EFBDMM C[C@H]1CCC[C@@H](CNc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001603887936 1096658942 /nfs/dbraw/zinc/65/89/42/1096658942.db2.gz TYZLSMPQEGIXEQ-VHSXEESVSA-N -1 1 331.380 2.595 20 5 EFBDMM C[C@H]1CCC[C@@H](CNc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001603887936 1096658944 /nfs/dbraw/zinc/65/89/44/1096658944.db2.gz TYZLSMPQEGIXEQ-VHSXEESVSA-N -1 1 331.380 2.595 20 5 EFBDMM C[C@@H]1Cc2cc(Nc3cccc(-c4nnn[n-]4)c3[N+](=O)[O-])ccc2O1 ZINC001603953241 1096681420 /nfs/dbraw/zinc/68/14/20/1096681420.db2.gz SQCZWJBROMBSAV-SECBINFHSA-N -1 1 338.327 2.842 20 5 EFBDMM C[C@@H]1Cc2cc(Nc3cccc(-c4nn[n-]n4)c3[N+](=O)[O-])ccc2O1 ZINC001603953241 1096681422 /nfs/dbraw/zinc/68/14/22/1096681422.db2.gz SQCZWJBROMBSAV-SECBINFHSA-N -1 1 338.327 2.842 20 5 EFBDMM CCC(CC)CCCN(C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001604025800 1096703169 /nfs/dbraw/zinc/70/31/69/1096703169.db2.gz YLNUETABUDMWIB-UHFFFAOYSA-N -1 1 333.396 2.823 20 5 EFBDMM CCC(CC)CCCN(C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001604025800 1096703173 /nfs/dbraw/zinc/70/31/73/1096703173.db2.gz YLNUETABUDMWIB-UHFFFAOYSA-N -1 1 333.396 2.823 20 5 EFBDMM CC[C@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1ccncc1 ZINC001604063544 1096716765 /nfs/dbraw/zinc/71/67/65/1096716765.db2.gz GPLNSPZTXDRYRT-VIFPVBQESA-N -1 1 331.361 2.795 20 5 EFBDMM CC[C@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1ccncc1 ZINC001604063544 1096716768 /nfs/dbraw/zinc/71/67/68/1096716768.db2.gz GPLNSPZTXDRYRT-VIFPVBQESA-N -1 1 331.361 2.795 20 5 EFBDMM CCOc1ccccc1CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001604465260 1096868886 /nfs/dbraw/zinc/86/88/86/1096868886.db2.gz GRIUMUQTYOAUKH-UHFFFAOYSA-N -1 1 340.343 2.786 20 5 EFBDMM CCOc1ccccc1CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001604465260 1096868891 /nfs/dbraw/zinc/86/88/91/1096868891.db2.gz GRIUMUQTYOAUKH-UHFFFAOYSA-N -1 1 340.343 2.786 20 5 EFBDMM C[C@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC001604754017 1096948047 /nfs/dbraw/zinc/94/80/47/1096948047.db2.gz PBKAFCZTRSDNAJ-BLLLJJGKSA-N -1 1 344.371 2.573 20 5 EFBDMM C[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC001604754019 1096948440 /nfs/dbraw/zinc/94/84/40/1096948440.db2.gz PBKAFCZTRSDNAJ-MLGOLLRUSA-N -1 1 344.371 2.573 20 5 EFBDMM CN(Cc1ccccc1F)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001604818370 1096964927 /nfs/dbraw/zinc/96/49/27/1096964927.db2.gz HEDZOGNOPNFNQQ-UHFFFAOYSA-N -1 1 328.307 2.550 20 5 EFBDMM CN(Cc1ccccc1F)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001604818370 1096964933 /nfs/dbraw/zinc/96/49/33/1096964933.db2.gz HEDZOGNOPNFNQQ-UHFFFAOYSA-N -1 1 328.307 2.550 20 5 EFBDMM CO[C@@H](CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC001605007670 1096998004 /nfs/dbraw/zinc/99/80/04/1096998004.db2.gz CTQGZQGGUZFVJN-AWEZNQCLSA-N -1 1 340.343 2.575 20 5 EFBDMM CO[C@@H](CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1 ZINC001605007670 1096998007 /nfs/dbraw/zinc/99/80/07/1096998007.db2.gz CTQGZQGGUZFVJN-AWEZNQCLSA-N -1 1 340.343 2.575 20 5 EFBDMM COCCC1(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCCC1 ZINC001605081206 1097017098 /nfs/dbraw/zinc/01/70/98/1097017098.db2.gz XUJLGBQTQGTOQT-UHFFFAOYSA-N -1 1 346.391 2.784 20 5 EFBDMM COCCC1(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCCC1 ZINC001605081206 1097017103 /nfs/dbraw/zinc/01/71/03/1097017103.db2.gz XUJLGBQTQGTOQT-UHFFFAOYSA-N -1 1 346.391 2.784 20 5 EFBDMM COc1cc(C)cc(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])c1 ZINC001605203008 1097049624 /nfs/dbraw/zinc/04/96/24/1097049624.db2.gz OUEAXUSAZGRQPC-UHFFFAOYSA-N -1 1 346.372 2.766 20 5 EFBDMM COc1cc(C)cc(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])c1 ZINC001605203008 1097049630 /nfs/dbraw/zinc/04/96/30/1097049630.db2.gz OUEAXUSAZGRQPC-UHFFFAOYSA-N -1 1 346.372 2.766 20 5 EFBDMM COc1ccc(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])c(C)c1 ZINC001605286373 1097081961 /nfs/dbraw/zinc/08/19/61/1097081961.db2.gz XFWISBMMPKYJEU-UHFFFAOYSA-N -1 1 346.372 2.766 20 5 EFBDMM COc1ccc(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])c(C)c1 ZINC001605286373 1097081966 /nfs/dbraw/zinc/08/19/66/1097081966.db2.gz XFWISBMMPKYJEU-UHFFFAOYSA-N -1 1 346.372 2.766 20 5 EFBDMM CS[C@H]1CCC[C@@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001605370756 1097107333 /nfs/dbraw/zinc/10/73/33/1097107333.db2.gz GUSHBHNARFKDPB-SFYZADRCSA-N -1 1 340.434 2.923 20 5 EFBDMM CS[C@H]1CCC[C@@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001605370756 1097107335 /nfs/dbraw/zinc/10/73/35/1097107335.db2.gz GUSHBHNARFKDPB-SFYZADRCSA-N -1 1 340.434 2.923 20 5 EFBDMM CS[C@H](CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001605370306 1097107366 /nfs/dbraw/zinc/10/73/66/1097107366.db2.gz VGOVEWDCYMXLAY-GFCCVEGCSA-N -1 1 336.421 2.965 20 5 EFBDMM CS[C@H](CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001605370306 1097107368 /nfs/dbraw/zinc/10/73/68/1097107368.db2.gz VGOVEWDCYMXLAY-GFCCVEGCSA-N -1 1 336.421 2.965 20 5 EFBDMM CSCC1(CCNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001605375897 1097109977 /nfs/dbraw/zinc/10/99/77/1097109977.db2.gz JIBGZQSBDILIES-UHFFFAOYSA-N -1 1 334.405 2.720 20 5 EFBDMM CSCC1(CCNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001605375897 1097109978 /nfs/dbraw/zinc/10/99/78/1097109978.db2.gz JIBGZQSBDILIES-UHFFFAOYSA-N -1 1 334.405 2.720 20 5 EFBDMM Cc1cc(N2CCC3(CCCC3)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605695880 1097197494 /nfs/dbraw/zinc/19/74/94/1097197494.db2.gz VQCKDRRHLNBTOC-UHFFFAOYSA-N -1 1 328.376 2.854 20 5 EFBDMM Cc1cc(N2CCC3(CCCC3)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605695880 1097197499 /nfs/dbraw/zinc/19/74/99/1097197499.db2.gz VQCKDRRHLNBTOC-UHFFFAOYSA-N -1 1 328.376 2.854 20 5 EFBDMM Cc1cc(N2CCS[C@H](C(C)C)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605698199 1097198143 /nfs/dbraw/zinc/19/81/43/1097198143.db2.gz MYZYRQLPOKCCNE-ZDUSSCGKSA-N -1 1 348.432 2.661 20 5 EFBDMM Cc1cc(N2CCS[C@H](C(C)C)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605698199 1097198145 /nfs/dbraw/zinc/19/81/45/1097198145.db2.gz MYZYRQLPOKCCNE-ZDUSSCGKSA-N -1 1 348.432 2.661 20 5 EFBDMM Cc1cc(NCC2CCSCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605732879 1097209913 /nfs/dbraw/zinc/20/99/13/1097209913.db2.gz XBQGHVSGFLVSOO-UHFFFAOYSA-N -1 1 334.405 2.638 20 5 EFBDMM Cc1cc(NCC2CCSCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605732879 1097209918 /nfs/dbraw/zinc/20/99/18/1097209918.db2.gz XBQGHVSGFLVSOO-UHFFFAOYSA-N -1 1 334.405 2.638 20 5 EFBDMM Cc1ccc(C[N@H+](C)Cc2cc(-c3nn[nH]n3)cs2)cc1[N+](=O)[O-] ZINC001605846590 1097249322 /nfs/dbraw/zinc/24/93/22/1097249322.db2.gz MQRXSBMAXZKTKS-UHFFFAOYSA-N -1 1 344.400 2.777 20 5 EFBDMM Cc1ccc(C[N@@H+](C)Cc2cc(-c3nn[nH]n3)cs2)cc1[N+](=O)[O-] ZINC001605846590 1097249326 /nfs/dbraw/zinc/24/93/26/1097249326.db2.gz MQRXSBMAXZKTKS-UHFFFAOYSA-N -1 1 344.400 2.777 20 5 EFBDMM Cc1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1[N+](=O)[O-] ZINC001605856126 1097254542 /nfs/dbraw/zinc/25/45/42/1097254542.db2.gz HFSSRRBHFSBICZ-UHFFFAOYSA-N -1 1 345.750 2.744 20 5 EFBDMM Cc1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1[N+](=O)[O-] ZINC001605856126 1097254545 /nfs/dbraw/zinc/25/45/45/1097254545.db2.gz HFSSRRBHFSBICZ-UHFFFAOYSA-N -1 1 345.750 2.744 20 5 EFBDMM Cc1ccccc1OCCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001605942895 1097283431 /nfs/dbraw/zinc/28/34/31/1097283431.db2.gz DOQYJCYWPIQIPO-UHFFFAOYSA-N -1 1 340.343 2.574 20 5 EFBDMM Cc1cccnc1[C@H](C)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605946221 1097283912 /nfs/dbraw/zinc/28/39/12/1097283912.db2.gz JBNBJXNYQYVUAO-JTQLQIEISA-N -1 1 325.332 2.651 20 5 EFBDMM Cc1cccnc1[C@H](C)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605946221 1097283917 /nfs/dbraw/zinc/28/39/17/1097283917.db2.gz JBNBJXNYQYVUAO-JTQLQIEISA-N -1 1 325.332 2.651 20 5 EFBDMM Cc1cccnc1[C@@H](C)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605946222 1097284565 /nfs/dbraw/zinc/28/45/65/1097284565.db2.gz JBNBJXNYQYVUAO-SNVBAGLBSA-N -1 1 325.332 2.651 20 5 EFBDMM Cc1cccnc1[C@@H](C)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605946222 1097284572 /nfs/dbraw/zinc/28/45/72/1097284572.db2.gz JBNBJXNYQYVUAO-SNVBAGLBSA-N -1 1 325.332 2.651 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@@H](C2CCCC2)C1 ZINC001607077285 1097505172 /nfs/dbraw/zinc/50/51/72/1097505172.db2.gz ONWUQSKSKMFKEB-GFCCVEGCSA-N -1 1 343.391 2.577 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@@H](C2CCCC2)C1 ZINC001607077285 1097505177 /nfs/dbraw/zinc/50/51/77/1097505177.db2.gz ONWUQSKSKMFKEB-GFCCVEGCSA-N -1 1 343.391 2.577 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1Sc1ccccc1O ZINC001607077137 1097505866 /nfs/dbraw/zinc/50/58/66/1097505866.db2.gz HPJJNBMAXXJAMP-UHFFFAOYSA-N -1 1 333.304 2.771 20 5 EFBDMM O=[N+]([O-])c1c(N[C@H]2CCc3ccc(O)cc32)cccc1-c1nnn[n-]1 ZINC001607077840 1097506728 /nfs/dbraw/zinc/50/67/28/1097506728.db2.gz GIFZRYFDFYNIPB-ZDUSSCGKSA-N -1 1 338.327 2.580 20 5 EFBDMM O=[N+]([O-])c1c(N[C@H]2CCc3ccc(O)cc32)cccc1-c1nn[n-]n1 ZINC001607077840 1097506734 /nfs/dbraw/zinc/50/67/34/1097506734.db2.gz GIFZRYFDFYNIPB-ZDUSSCGKSA-N -1 1 338.327 2.580 20 5 EFBDMM O=[N+]([O-])c1c(N[C@@H]2C[C@H]2c2cccc(F)c2)cccc1-c1nnn[n-]1 ZINC001607078394 1097507137 /nfs/dbraw/zinc/50/71/37/1097507137.db2.gz XXEWHBBIRPEZGJ-GXTWGEPZSA-N -1 1 340.318 2.882 20 5 EFBDMM O=[N+]([O-])c1c(N[C@@H]2C[C@H]2c2cccc(F)c2)cccc1-c1nn[n-]n1 ZINC001607078394 1097507142 /nfs/dbraw/zinc/50/71/42/1097507142.db2.gz XXEWHBBIRPEZGJ-GXTWGEPZSA-N -1 1 340.318 2.882 20 5 EFBDMM O=[N+]([O-])c1c(N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)cccc1-c1nnn[n-]1 ZINC001607078297 1097507168 /nfs/dbraw/zinc/50/71/68/1097507168.db2.gz TXCNZGIMQUNOFF-UHOFOFEASA-N -1 1 348.366 2.915 20 5 EFBDMM O=[N+]([O-])c1c(N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)cccc1-c1nn[n-]n1 ZINC001607078297 1097507172 /nfs/dbraw/zinc/50/71/72/1097507172.db2.gz TXCNZGIMQUNOFF-UHOFOFEASA-N -1 1 348.366 2.915 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCc2cc3ccccc3[nH]2)cc1-c1nnn[n-]1 ZINC001607082154 1097508863 /nfs/dbraw/zinc/50/88/63/1097508863.db2.gz NOPRADPWDAPQGO-UHFFFAOYSA-N -1 1 349.354 2.911 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCc2cc3ccccc3[nH]2)cc1-c1nn[n-]n1 ZINC001607082154 1097508870 /nfs/dbraw/zinc/50/88/70/1097508870.db2.gz NOPRADPWDAPQGO-UHFFFAOYSA-N -1 1 349.354 2.911 20 5 EFBDMM O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC001607083475 1097510529 /nfs/dbraw/zinc/51/05/29/1097510529.db2.gz HUBNRYWJESZBGS-OAHLLOKOSA-N -1 1 336.355 2.722 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@H]1CCCc2cccnc21 ZINC001607088736 1097510979 /nfs/dbraw/zinc/51/09/79/1097510979.db2.gz WJMSQJIVMOJHHE-VIFPVBQESA-N -1 1 343.372 2.721 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@H]1CCCc2cccnc21 ZINC001607088736 1097510985 /nfs/dbraw/zinc/51/09/85/1097510985.db2.gz WJMSQJIVMOJHHE-VIFPVBQESA-N -1 1 343.372 2.721 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@H]1CCCC(F)(F)C1 ZINC001607087942 1097511117 /nfs/dbraw/zinc/51/11/17/1097511117.db2.gz BHLKVQILCOQJAU-LURJTMIESA-N -1 1 330.320 2.826 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@H]1CCCC(F)(F)C1 ZINC001607087942 1097511122 /nfs/dbraw/zinc/51/11/22/1097511122.db2.gz BHLKVQILCOQJAU-LURJTMIESA-N -1 1 330.320 2.826 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCCc1cccc(F)c1 ZINC001607088246 1097511546 /nfs/dbraw/zinc/51/15/46/1097511546.db2.gz JTUCYYCPPLDAFM-UHFFFAOYSA-N -1 1 334.336 2.630 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCCc1cccc(F)c1 ZINC001607088246 1097511552 /nfs/dbraw/zinc/51/15/52/1097511552.db2.gz JTUCYYCPPLDAFM-UHFFFAOYSA-N -1 1 334.336 2.630 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1Nc1cccc(CCCO)c1 ZINC001607087937 1097511652 /nfs/dbraw/zinc/51/16/52/1097511652.db2.gz AZYJIYLSPOXLSN-UHFFFAOYSA-N -1 1 346.372 2.505 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1Nc1cccc(CCCO)c1 ZINC001607087937 1097511661 /nfs/dbraw/zinc/51/16/61/1097511661.db2.gz AZYJIYLSPOXLSN-UHFFFAOYSA-N -1 1 346.372 2.505 20 5 EFBDMM COc1cccc([C@H](C(=O)[O-])N(C)Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC001607311192 1097594920 /nfs/dbraw/zinc/59/49/20/1097594920.db2.gz YJXXEBKHZZZKGU-MRXNPFEDSA-N -1 1 346.339 2.567 20 5 EFBDMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001607445972 1097629838 /nfs/dbraw/zinc/62/98/38/1097629838.db2.gz SCSPEKSNAQEBRY-DGCLKSJQSA-N -1 1 345.355 2.935 20 5 EFBDMM Cc1cc([C@H]([NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])C(=O)[O-])ccc1F ZINC001607613443 1097677060 /nfs/dbraw/zinc/67/70/60/1097677060.db2.gz XWZUHSWSFRQHBW-HNNXBMFYSA-N -1 1 334.303 2.663 20 5 EFBDMM O=C([O-])[C@@H]1C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC001608809234 1098029095 /nfs/dbraw/zinc/02/90/95/1098029095.db2.gz YDUMJWZEODYZHR-HZPDHXFCSA-N -1 1 342.351 2.601 20 5 EFBDMM CC(C)(CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)C1(O)CCCC1 ZINC001609084155 1098136868 /nfs/dbraw/zinc/13/68/68/1098136868.db2.gz KXDNOUHLJZMBTI-UHFFFAOYSA-N -1 1 346.391 2.518 20 5 EFBDMM CC(C)(CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001609084301 1098136960 /nfs/dbraw/zinc/13/69/60/1098136960.db2.gz SRXXUMIPJDLITR-UHFFFAOYSA-N -1 1 330.270 2.775 20 5 EFBDMM CC(C)(CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001609084301 1098136962 /nfs/dbraw/zinc/13/69/62/1098136962.db2.gz SRXXUMIPJDLITR-UHFFFAOYSA-N -1 1 330.270 2.775 20 5 EFBDMM CC(C)[C@H]1N(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC12CCC2 ZINC001609092368 1098140116 /nfs/dbraw/zinc/14/01/16/1098140116.db2.gz HITJFOZDSSFJAG-CQSZACIVSA-N -1 1 328.376 2.790 20 5 EFBDMM CC(C)C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCO1 ZINC001609093843 1098141963 /nfs/dbraw/zinc/14/19/63/1098141963.db2.gz SZMYRVQSQFKZQQ-QWHCGFSZSA-N -1 1 346.391 2.781 20 5 EFBDMM CC(C)C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCO1 ZINC001609093843 1098141965 /nfs/dbraw/zinc/14/19/65/1098141965.db2.gz SZMYRVQSQFKZQQ-QWHCGFSZSA-N -1 1 346.391 2.781 20 5 EFBDMM C[C@@]1(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1(Cl)Cl ZINC001609149221 1098169376 /nfs/dbraw/zinc/16/93/76/1098169376.db2.gz FEINAZFDWHXSIQ-NSHDSACASA-N -1 1 343.174 2.771 20 5 EFBDMM C[C@@]1(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1(Cl)Cl ZINC001609149221 1098169379 /nfs/dbraw/zinc/16/93/79/1098169379.db2.gz FEINAZFDWHXSIQ-NSHDSACASA-N -1 1 343.174 2.771 20 5 EFBDMM CC[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])CC(F)(F)F ZINC001609191255 1098191879 /nfs/dbraw/zinc/19/18/79/1098191879.db2.gz OJODPNFSCDEUDN-ZETCQYMHSA-N -1 1 345.285 2.560 20 5 EFBDMM CC[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])CC(F)(F)F ZINC001609191255 1098191882 /nfs/dbraw/zinc/19/18/82/1098191882.db2.gz OJODPNFSCDEUDN-ZETCQYMHSA-N -1 1 345.285 2.560 20 5 EFBDMM COCC[C@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccco1 ZINC001609321460 1098248433 /nfs/dbraw/zinc/24/84/33/1098248433.db2.gz BSJZVWVYYNZWJG-LBPRGKRZSA-N -1 1 344.331 2.558 20 5 EFBDMM COCC[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccco1 ZINC001609321460 1098248439 /nfs/dbraw/zinc/24/84/39/1098248439.db2.gz BSJZVWVYYNZWJG-LBPRGKRZSA-N -1 1 344.331 2.558 20 5 EFBDMM COCc1cccc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1 ZINC001609331031 1098250198 /nfs/dbraw/zinc/25/01/98/1098250198.db2.gz GYJOPPOIIHJTLL-UHFFFAOYSA-N -1 1 340.343 2.533 20 5 EFBDMM COc1ccc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)c(F)c1 ZINC001609356055 1098263821 /nfs/dbraw/zinc/26/38/21/1098263821.db2.gz LLJOGQOGHWDOKW-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM COc1ccc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)c(F)c1 ZINC001609356055 1098263828 /nfs/dbraw/zinc/26/38/28/1098263828.db2.gz LLJOGQOGHWDOKW-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM Cc1cnc([C@@H](C)CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])s1 ZINC001609439842 1098324733 /nfs/dbraw/zinc/32/47/33/1098324733.db2.gz IZCMKTRNEDYXOF-QMMMGPOBSA-N -1 1 345.388 2.755 20 5 EFBDMM Cc1cnc([C@@H](C)CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])s1 ZINC001609439842 1098324741 /nfs/dbraw/zinc/32/47/41/1098324741.db2.gz IZCMKTRNEDYXOF-QMMMGPOBSA-N -1 1 345.388 2.755 20 5 EFBDMM Nc1cc(N[C@H]2C[C@@H]2C2CCCCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609511026 1098365818 /nfs/dbraw/zinc/36/58/18/1098365818.db2.gz SNAIQSCBWSPEBH-RISCZKNCSA-N -1 1 343.391 2.738 20 5 EFBDMM Nc1cc(N[C@H]2C[C@@H]2C2CCCCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609511026 1098365822 /nfs/dbraw/zinc/36/58/22/1098365822.db2.gz SNAIQSCBWSPEBH-RISCZKNCSA-N -1 1 343.391 2.738 20 5 EFBDMM O=[N+]([O-])c1cc2ccccc2nc1Oc1cccnc1-c1nnn[n-]1 ZINC001609600858 1098393832 /nfs/dbraw/zinc/39/38/32/1098393832.db2.gz HNILYVQORUZTON-UHFFFAOYSA-N -1 1 335.283 2.510 20 5 EFBDMM O=[N+]([O-])c1cc2ccccc2nc1Oc1cccnc1-c1nn[n-]n1 ZINC001609600858 1098393838 /nfs/dbraw/zinc/39/38/38/1098393838.db2.gz HNILYVQORUZTON-UHFFFAOYSA-N -1 1 335.283 2.510 20 5 EFBDMM O=[N+]([O-])c1cc(N2CC3C[C@@H]4CC2C[C@H](C3)C4)ccc1-c1nn[n-]n1 ZINC001609601449 1098395680 /nfs/dbraw/zinc/39/56/80/1098395680.db2.gz XRCOPIXCICUJHS-KCXRBIIJSA-N -1 1 340.387 2.790 20 5 EFBDMM O=C([O-])COc1ccc(CNc2ccc3c(n2)CCC3)cc1[N+](=O)[O-] ZINC001610786979 1098887076 /nfs/dbraw/zinc/88/70/76/1098887076.db2.gz XBWRDEHYXHCBRD-UHFFFAOYSA-N -1 1 343.339 2.554 20 5 EFBDMM C=CC(=O)OC[C@H](C)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234875219 1111427640 /nfs/dbraw/zinc/42/76/40/1111427640.db2.gz FKVURESSTLPMJW-ZETCQYMHSA-N -1 1 346.133 2.559 20 5 EFBDMM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175114843 231387646 /nfs/dbraw/zinc/38/76/46/231387646.db2.gz HVFMTJISLKKQAY-SECBINFHSA-N -1 1 339.373 2.548 20 5 EFBDMM Cc1nn(C)c(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])c1[N+](=O)[O-] ZINC000179658951 282256196 /nfs/dbraw/zinc/25/61/96/282256196.db2.gz YBAZYLPUVPSVBD-UHFFFAOYSA-N -1 1 344.249 2.613 20 5 EFBDMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000174729556 239241625 /nfs/dbraw/zinc/24/16/25/239241625.db2.gz QBQYSHJTRIJHSR-UHFFFAOYSA-N -1 1 336.369 2.505 20 5 EFBDMM CC(C)COc1cccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000193458271 240107030 /nfs/dbraw/zinc/10/70/30/240107030.db2.gz DIFOHZURYXPSLO-UHFFFAOYSA-N -1 1 345.355 2.660 20 5 EFBDMM O=C(N[C@H]1CCSc2c(F)cccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000128747136 284219388 /nfs/dbraw/zinc/21/93/88/284219388.db2.gz FVUKIQDXPJQYGV-LBPRGKRZSA-N -1 1 349.343 2.801 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000365456636 284743683 /nfs/dbraw/zinc/74/36/83/284743683.db2.gz FWQXUCHSNQTJIB-LBPRGKRZSA-N -1 1 333.731 2.936 20 5 EFBDMM Cc1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(OC(C)C)c1 ZINC000444987736 250371431 /nfs/dbraw/zinc/37/14/31/250371431.db2.gz DQIQSQZBKXNLNS-UHFFFAOYSA-N -1 1 345.355 2.721 20 5 EFBDMM O=C(NCc1ccc(-c2ccccc2)o1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445172700 250392480 /nfs/dbraw/zinc/39/24/80/250392480.db2.gz LKWRFUHSXDPYSG-UHFFFAOYSA-N -1 1 339.307 2.885 20 5 EFBDMM COc1cc2nc(-c3ccc([N+](=O)[O-])s3)[n-]c(=O)c2cc1OC ZINC000165057720 533174833 /nfs/dbraw/zinc/17/48/33/533174833.db2.gz NKHBTSRNRNOIGU-UHFFFAOYSA-N -1 1 333.325 2.577 20 5 EFBDMM COc1ccc(CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000186792680 533517640 /nfs/dbraw/zinc/51/76/40/533517640.db2.gz MVPAWEZJRXIVAC-UHFFFAOYSA-N -1 1 343.339 2.509 20 5 EFBDMM Cc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc2n[nH]cc21 ZINC000346475681 142209877 /nfs/dbraw/zinc/20/98/77/142209877.db2.gz ISLNRUGPBDFADB-UHFFFAOYSA-N -1 1 346.368 2.889 20 5 EFBDMM COc1ccc(-c2cnc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)n2C)cc1 ZINC000342428104 145123617 /nfs/dbraw/zinc/12/36/17/145123617.db2.gz ZLVWXTQORYBBRE-UHFFFAOYSA-N -1 1 341.327 2.584 20 5 EFBDMM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000342489932 145136948 /nfs/dbraw/zinc/13/69/48/145136948.db2.gz NRHWQNLQQWWJHP-ZETCQYMHSA-N -1 1 346.352 2.974 20 5 EFBDMM CC(C)Cn1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(C(F)F)n1 ZINC000342626672 145161799 /nfs/dbraw/zinc/16/17/99/145161799.db2.gz GZIMCLYTPFGUIG-UHFFFAOYSA-N -1 1 327.291 2.965 20 5 EFBDMM CCSc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cnc2C)s1 ZINC000344089698 145365639 /nfs/dbraw/zinc/36/56/39/145365639.db2.gz GQINEMLRQVLBFX-UHFFFAOYSA-N -1 1 325.375 2.514 20 5 EFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Cn4cccn4)cc3)no2)[n-]1 ZINC000355856293 147083382 /nfs/dbraw/zinc/08/33/82/147083382.db2.gz RYFZSKYJCNXEHT-UHFFFAOYSA-N -1 1 336.311 2.885 20 5 EFBDMM CCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(F)cc1C ZINC000356387423 147231069 /nfs/dbraw/zinc/23/10/69/147231069.db2.gz AEKLJOWSUAUGIG-UHFFFAOYSA-N -1 1 335.291 2.799 20 5 EFBDMM O=C(NCc1cc(Cl)sc1Cl)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000356980264 147390482 /nfs/dbraw/zinc/39/04/82/147390482.db2.gz PEFBWDUVWHHFBU-UHFFFAOYSA-N -1 1 348.167 2.994 20 5 EFBDMM COc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1[N+](=O)[O-] ZINC000359849565 148207131 /nfs/dbraw/zinc/20/71/31/148207131.db2.gz JGTSBWQJDMMOIG-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM COc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000359856796 148209073 /nfs/dbraw/zinc/20/90/73/148209073.db2.gz MSPJQTWLRHVDQV-UHFFFAOYSA-N -1 1 344.295 2.682 20 5 EFBDMM Cc1c(C[N-]S(=O)(=O)c2c(F)cccc2F)cccc1[N+](=O)[O-] ZINC000360129593 148279094 /nfs/dbraw/zinc/27/90/94/148279094.db2.gz DUJQQOTZFOLGLZ-UHFFFAOYSA-N -1 1 342.323 2.660 20 5 EFBDMM CC[C@@H](c1ccccc1OC)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000360532135 148385658 /nfs/dbraw/zinc/38/56/58/148385658.db2.gz HYWYZQJOAAMLPJ-ZDUSSCGKSA-N -1 1 345.355 2.927 20 5 EFBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccccc2C)cc1[N+](=O)[O-] ZINC000187161258 265088698 /nfs/dbraw/zinc/08/86/98/265088698.db2.gz VYGCPOMRQJPRDM-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM CCc1cccnc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000271926686 266099280 /nfs/dbraw/zinc/09/92/80/266099280.db2.gz GTLXRIDWKCFQDQ-UHFFFAOYSA-N -1 1 335.385 2.537 20 5 EFBDMM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278223843 267373567 /nfs/dbraw/zinc/37/35/67/267373567.db2.gz SKLBFNDPSIGBMC-GXTWGEPZSA-N -1 1 341.367 2.789 20 5 EFBDMM O=C(N[C@@H]1CC[C@H](c2cccc(F)c2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000280281068 273311005 /nfs/dbraw/zinc/31/10/05/273311005.db2.gz RNMGVZVGDVPQPQ-SMDDNHRTSA-N -1 1 345.330 2.901 20 5 EFBDMM Cc1ccc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)c(C)c1 ZINC000280633087 273348958 /nfs/dbraw/zinc/34/89/58/273348958.db2.gz RFTRTNSEYGWDNK-ZDUSSCGKSA-N -1 1 341.367 2.942 20 5 EFBDMM CC(C)(C)OC(=O)NC(C)(C)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000283921126 273775185 /nfs/dbraw/zinc/77/51/85/273775185.db2.gz MTWVVEJILSOIKL-UHFFFAOYSA-N -1 1 337.336 2.733 20 5 EFBDMM O=C(Nc1ccc(F)cc1[O-])c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000340332001 274997483 /nfs/dbraw/zinc/99/74/83/274997483.db2.gz XFEXWJFBCSAITE-UHFFFAOYSA-N -1 1 342.286 2.878 20 5 EFBDMM CC1(C)Cc2ccsc2CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000457319043 278398093 /nfs/dbraw/zinc/39/80/93/278398093.db2.gz LBWIJNYUSGWGNJ-UHFFFAOYSA-N -1 1 333.369 2.734 20 5 EFBDMM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000115721069 278484185 /nfs/dbraw/zinc/48/41/85/278484185.db2.gz JQHNGCICDXADSI-WCQYABFASA-N -1 1 327.340 2.714 20 5 EFBDMM C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445007770 279129761 /nfs/dbraw/zinc/12/97/61/279129761.db2.gz KKYWMXQJXLUQGE-MRVPVSSYSA-N -1 1 349.293 2.733 20 5 EFBDMM Cc1nn(CCC(=O)Nc2ccc([O-])c(Cl)c2)c(C)c1[N+](=O)[O-] ZINC000129617181 293139321 /nfs/dbraw/zinc/13/93/21/293139321.db2.gz ZZZFZNRAEBKPJN-UHFFFAOYSA-N -1 1 338.751 2.796 20 5 EFBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)COC2 ZINC000132938121 293242269 /nfs/dbraw/zinc/24/22/69/293242269.db2.gz FQNSROZKSWPGHB-UHFFFAOYSA-N -1 1 348.380 2.988 20 5 EFBDMM O=C(NC[C@@H]1CCCCC(F)(F)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000293739528 295038873 /nfs/dbraw/zinc/03/88/73/295038873.db2.gz VBSLYEYQIIQUPL-SECBINFHSA-N -1 1 329.303 2.641 20 5 EFBDMM CC(=O)N(c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1)[C@@H]1C[C@@H]1C ZINC000294092678 295109432 /nfs/dbraw/zinc/10/94/32/295109432.db2.gz IQXQZXYASXSAAX-ZUZCIYMTSA-N -1 1 342.355 2.937 20 5 EFBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc([C@H]3CCOC3)cc2)c1 ZINC000295242285 295286941 /nfs/dbraw/zinc/28/69/41/295286941.db2.gz VGJCEZSWVIAZAG-ZDUSSCGKSA-N -1 1 348.380 2.900 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCCC[C@@H]1c1ccncc1 ZINC000188192870 304591000 /nfs/dbraw/zinc/59/10/00/304591000.db2.gz PXGWGZBCYXXVST-CQSZACIVSA-N -1 1 342.355 2.848 20 5 EFBDMM Cc1cc(N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000263169929 301344303 /nfs/dbraw/zinc/34/43/03/301344303.db2.gz JGYNVWFRFNKONJ-ZYHUDNBSSA-N -1 1 329.356 2.998 20 5 EFBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000055555000 302050750 /nfs/dbraw/zinc/05/07/50/302050750.db2.gz QJQWJUFURIDROF-UHFFFAOYSA-N -1 1 328.296 2.982 20 5 EFBDMM COCc1cccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000179371957 310786131 /nfs/dbraw/zinc/78/61/31/310786131.db2.gz WCIIHEQMWOEQQU-UHFFFAOYSA-N -1 1 336.369 2.850 20 5 EFBDMM O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000298857514 311029214 /nfs/dbraw/zinc/02/92/14/311029214.db2.gz DLHYPKHNSHRFGI-CYBMUJFWSA-N -1 1 331.328 2.733 20 5 EFBDMM CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000298863031 311029650 /nfs/dbraw/zinc/02/96/50/311029650.db2.gz KOEHHEVLMKOWKE-UHFFFAOYSA-N -1 1 330.344 2.561 20 5 EFBDMM C[C@H]1CCCN(Cc2csc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)n2)C1 ZINC000299118050 311053144 /nfs/dbraw/zinc/05/31/44/311053144.db2.gz HQJAYACUUQDHOC-JTQLQIEISA-N -1 1 349.416 2.864 20 5 EFBDMM COC(=O)c1cnc([N-]c2cnn([C@H](C)C3CC3)c2)c([N+](=O)[O-])c1 ZINC000302769704 311199957 /nfs/dbraw/zinc/19/99/57/311199957.db2.gz MMVRUXCJNNUSJL-SECBINFHSA-N -1 1 331.332 2.688 20 5 EFBDMM COc1ccc(CN2CCc3ccccc3[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000326751703 311244582 /nfs/dbraw/zinc/24/45/82/311244582.db2.gz GSGZNHAAFDUDQX-QGZVFWFLSA-N -1 1 342.351 2.787 20 5 EFBDMM COc1ccc(CN2CCc3ccccc3[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000326751697 311244625 /nfs/dbraw/zinc/24/46/25/311244625.db2.gz GSGZNHAAFDUDQX-KRWDZBQOSA-N -1 1 342.351 2.787 20 5 EFBDMM COC[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)[O-] ZINC000417637866 312250858 /nfs/dbraw/zinc/25/08/58/312250858.db2.gz ZLTQZCZUVGRJRV-ZDUSSCGKSA-N -1 1 336.369 2.513 20 5 EFBDMM CCOc1ccc([N+](=O)[O-])cc1CNCc1ccc(C(=O)[O-])cc1 ZINC000426692894 312526488 /nfs/dbraw/zinc/52/64/88/312526488.db2.gz WEYPCFICUQPHJU-UHFFFAOYSA-N -1 1 330.340 2.982 20 5 EFBDMM CC[C@](C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000516926531 315719193 /nfs/dbraw/zinc/71/91/93/315719193.db2.gz FPNLFOPBXBMQCK-JTQLQIEISA-N -1 1 326.296 2.604 20 5 EFBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCO2 ZINC000521415230 316021795 /nfs/dbraw/zinc/02/17/95/316021795.db2.gz PLUGXIPPGBOCEH-UHFFFAOYSA-N -1 1 348.380 2.893 20 5 EFBDMM CC(C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000547387571 318002869 /nfs/dbraw/zinc/00/28/69/318002869.db2.gz CZMKREGHPMZHFK-OLZOCXBDSA-N -1 1 341.433 2.873 20 5 EFBDMM CC(C)Oc1ccccc1[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000555490528 318357935 /nfs/dbraw/zinc/35/79/35/318357935.db2.gz PLTNYQDETYJNHM-NSHDSACASA-N -1 1 345.355 2.974 20 5 EFBDMM Cc1cc(NC[C@@H](c2ccco2)N(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000580775947 324233151 /nfs/dbraw/zinc/23/31/51/324233151.db2.gz JBEZOMDBUNYSBR-ZDUSSCGKSA-N -1 1 333.344 2.909 20 5 EFBDMM C[C@@]1(C(=O)[O-])CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000580778965 324233833 /nfs/dbraw/zinc/23/38/33/324233833.db2.gz MPNWOICWFLARJB-CYBMUJFWSA-N -1 1 332.278 2.910 20 5 EFBDMM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2ccc3n[nH]cc3c2)s1 ZINC000095985547 473244381 /nfs/dbraw/zinc/24/43/81/473244381.db2.gz WNUSJSHVJDCKLV-UHFFFAOYSA-N -1 1 338.370 2.680 20 5 EFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000142059486 473261989 /nfs/dbraw/zinc/26/19/89/473261989.db2.gz CABPUSSFVCNDRD-UHFFFAOYSA-N -1 1 344.295 2.682 20 5 EFBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3C)cc1[N+](=O)[O-] ZINC000083577515 473352829 /nfs/dbraw/zinc/35/28/29/473352829.db2.gz UNNIJSABGXTWEF-UHFFFAOYSA-N -1 1 346.368 2.591 20 5 EFBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(CC(C)C)s2)c1 ZINC000067297702 472017624 /nfs/dbraw/zinc/01/76/24/472017624.db2.gz NZVVWJAMKSZLSP-UHFFFAOYSA-N -1 1 336.373 2.906 20 5 EFBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1cc2ccccc2o1 ZINC000024154868 472047775 /nfs/dbraw/zinc/04/77/75/472047775.db2.gz YCOBTBSSWOWDQA-SECBINFHSA-N -1 1 327.296 2.520 20 5 EFBDMM COCc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000030530634 472336948 /nfs/dbraw/zinc/33/69/48/472336948.db2.gz CZMMFASAWIARMM-UHFFFAOYSA-N -1 1 336.369 2.850 20 5 EFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2c(Cl)cccc2C1 ZINC000155714398 472600646 /nfs/dbraw/zinc/60/06/46/472600646.db2.gz YTHDZIPBECVCGE-UHFFFAOYSA-N -1 1 333.731 2.547 20 5 EFBDMM CCOC(=O)c1ccnc([N-]c2cnn(CC(C)C)c2)c1[N+](=O)[O-] ZINC000078521934 472727951 /nfs/dbraw/zinc/72/79/51/472727951.db2.gz IDJJIAVHSQSUHB-UHFFFAOYSA-N -1 1 333.348 2.763 20 5 EFBDMM CCn1c(C2CCN(c3ncc(C)cc3[N+](=O)[O-])CC2)n[n-]c1=S ZINC000078661876 472749584 /nfs/dbraw/zinc/74/95/84/472749584.db2.gz LQEMVWKUPVYDDP-UHFFFAOYSA-N -1 1 348.432 2.956 20 5 EFBDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134664732 472948220 /nfs/dbraw/zinc/94/82/20/472948220.db2.gz SQYXPKBIKCCXKS-UHFFFAOYSA-N -1 1 335.629 2.637 20 5 EFBDMM CC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1nccs1 ZINC000159968443 473077163 /nfs/dbraw/zinc/07/71/63/473077163.db2.gz CNFUXNKQWMXPPA-JTQLQIEISA-N -1 1 341.414 2.789 20 5 EFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CC=CCC1 ZINC000123028387 473088185 /nfs/dbraw/zinc/08/81/85/473088185.db2.gz MMWLATIQJUSKDC-JTQLQIEISA-N -1 1 330.793 2.883 20 5 EFBDMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000123840507 473191659 /nfs/dbraw/zinc/19/16/59/473191659.db2.gz LJPZABWHKQPHQJ-UHFFFAOYSA-N -1 1 339.311 2.788 20 5 EFBDMM C[C@@]1(c2ccccc2)CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000113442883 473394661 /nfs/dbraw/zinc/39/46/61/473394661.db2.gz PSFKGBYCGVNACG-GOSISDBHSA-N -1 1 341.367 2.889 20 5 EFBDMM O=C(NCc1ccc(C(F)(F)F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186804754 473760360 /nfs/dbraw/zinc/76/03/60/473760360.db2.gz ZPHQEKPQTXMGKN-UHFFFAOYSA-N -1 1 341.245 2.644 20 5 EFBDMM CSC(C)(C)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000173238933 473777861 /nfs/dbraw/zinc/77/78/61/473777861.db2.gz YUMKRKXPZYRCOA-UHFFFAOYSA-N -1 1 338.838 2.668 20 5 EFBDMM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193774809 473807283 /nfs/dbraw/zinc/80/72/83/473807283.db2.gz OBPAIXJSSTVALZ-BMIGLBTASA-N -1 1 327.340 2.749 20 5 EFBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000193982774 473824669 /nfs/dbraw/zinc/82/46/69/473824669.db2.gz XIZMTLRNXMCRAR-UHFFFAOYSA-N -1 1 348.380 2.947 20 5 EFBDMM CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cn1 ZINC000263879730 473889347 /nfs/dbraw/zinc/88/93/47/473889347.db2.gz NLVQOINAGPVYDN-UHFFFAOYSA-N -1 1 347.331 2.917 20 5 EFBDMM COc1cccc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)c1[N+](=O)[O-] ZINC000194750884 473948328 /nfs/dbraw/zinc/94/83/28/473948328.db2.gz GNCSFIRXYZHAJL-UHFFFAOYSA-N -1 1 347.718 2.552 20 5 EFBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C)cc1[N+](=O)[O-] ZINC000174057135 473980839 /nfs/dbraw/zinc/98/08/39/473980839.db2.gz ANROCXFULYYVIB-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM Cc1cccc([C@@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000188247949 474033398 /nfs/dbraw/zinc/03/33/98/474033398.db2.gz XEESUKMJZLAWIB-AWEZNQCLSA-N -1 1 327.340 2.981 20 5 EFBDMM Cc1ccc(C[C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C)c1 ZINC000188451956 474099343 /nfs/dbraw/zinc/09/93/43/474099343.db2.gz PWBNBLMUCCNEPM-GFCCVEGCSA-N -1 1 329.356 2.673 20 5 EFBDMM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000175276136 474177293 /nfs/dbraw/zinc/17/72/93/474177293.db2.gz IUGJBLZTCCLDLD-GHMZBOCLSA-N -1 1 348.421 2.686 20 5 EFBDMM O=C(N[C@H]1CC[C@H](Cc2ccccc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000189343170 474366093 /nfs/dbraw/zinc/36/60/93/474366093.db2.gz XGZVLXWZPBZFGP-HIFRSBDPSA-N -1 1 341.367 2.837 20 5 EFBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C12CCCN1CCC2 ZINC000278905079 474906925 /nfs/dbraw/zinc/90/69/25/474906925.db2.gz YTCGHDBOGZLRAR-UHFFFAOYSA-N -1 1 325.752 2.521 20 5 EFBDMM CCn1nccc1C1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000339134130 474964160 /nfs/dbraw/zinc/96/41/60/474964160.db2.gz FXTDFZOSSYHZPZ-UHFFFAOYSA-N -1 1 330.388 2.896 20 5 EFBDMM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000354707836 475349923 /nfs/dbraw/zinc/34/99/23/475349923.db2.gz LKSFNERHILAGKI-ZETCQYMHSA-N -1 1 344.286 2.743 20 5 EFBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC1(C(F)(F)F)CCC1 ZINC000352642892 475485064 /nfs/dbraw/zinc/48/50/64/475485064.db2.gz RMCGIOUXQDYEGJ-UHFFFAOYSA-N -1 1 338.307 2.606 20 5 EFBDMM COCc1cccc2sc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)nc21 ZINC000354968885 475566973 /nfs/dbraw/zinc/56/69/73/475566973.db2.gz CDUUTZISTILMRH-UHFFFAOYSA-N -1 1 332.341 2.931 20 5 EFBDMM C[C@]1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC000354994817 475584476 /nfs/dbraw/zinc/58/44/76/475584476.db2.gz BGUFESTURRYEBN-CXAGYDPISA-N -1 1 327.340 2.619 20 5 EFBDMM C[C@]1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000354994820 475584497 /nfs/dbraw/zinc/58/44/97/475584497.db2.gz BGUFESTURRYEBN-SUMWQHHRSA-N -1 1 327.340 2.619 20 5 EFBDMM COC(=O)c1ccc([N+](=O)[O-])c([N-]c2cnn([C@@H](C)C3CC3)c2)n1 ZINC000343010587 475695505 /nfs/dbraw/zinc/69/55/05/475695505.db2.gz CKFLYMPDCZFTGN-VIFPVBQESA-N -1 1 331.332 2.688 20 5 EFBDMM Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(C)c(C)c(=O)[n-]1 ZINC000346726007 475804311 /nfs/dbraw/zinc/80/43/11/475804311.db2.gz SOSTUNGKLQKICS-UHFFFAOYSA-N -1 1 348.384 2.746 20 5 EFBDMM Cc1nccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])n1 ZINC000362395016 476220097 /nfs/dbraw/zinc/22/00/97/476220097.db2.gz GRPUYGLYLMNTJD-UHFFFAOYSA-N -1 1 343.162 2.770 20 5 EFBDMM CC(C)(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(F)cc1 ZINC000303219020 476223327 /nfs/dbraw/zinc/22/33/27/476223327.db2.gz UUFYHYYTVBDMCS-UHFFFAOYSA-N -1 1 333.319 2.542 20 5 EFBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(CC(C)C)n[nH]1 ZINC000350667861 476286488 /nfs/dbraw/zinc/28/64/88/476286488.db2.gz FGPRHPPLSVYPIB-UHFFFAOYSA-N -1 1 338.389 2.626 20 5 EFBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)c([N+](=O)[O-])c1 ZINC000353860484 476304447 /nfs/dbraw/zinc/30/44/47/476304447.db2.gz VTRRIMWVGUVRCR-UHFFFAOYSA-N -1 1 338.389 2.626 20 5 EFBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1c(F)cccc1Cl ZINC000357258242 476306885 /nfs/dbraw/zinc/30/68/85/476306885.db2.gz UEEIUUSKQARIAW-SSDOTTSWSA-N -1 1 339.710 2.979 20 5 EFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H](Cc2ccccc2)C1 ZINC000377560896 476453179 /nfs/dbraw/zinc/45/31/79/476453179.db2.gz RFYFZDVQIIHHRY-CQSZACIVSA-N -1 1 341.367 2.790 20 5 EFBDMM Cc1cccc(C)c1OCCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445175078 476732750 /nfs/dbraw/zinc/73/27/50/476732750.db2.gz SIYUFBVSCXFNRG-UHFFFAOYSA-N -1 1 345.355 2.511 20 5 EFBDMM O=C(c1ncccc1[O-])N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452848805 477105564 /nfs/dbraw/zinc/10/55/64/477105564.db2.gz LKKXROXQIXTKDZ-ZDUSSCGKSA-N -1 1 327.340 2.715 20 5 EFBDMM CC(C)(NC(=O)C(=O)c1ccc([O-])cc1)c1ccccc1[N+](=O)[O-] ZINC000436781910 477589544 /nfs/dbraw/zinc/58/95/44/477589544.db2.gz VVFKXIZLPOODCF-UHFFFAOYSA-N -1 1 328.324 2.535 20 5 EFBDMM CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)n1 ZINC000436817486 477599037 /nfs/dbraw/zinc/59/90/37/477599037.db2.gz HZHJHJYSFWGUOD-UHFFFAOYSA-N -1 1 344.249 2.788 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(Cl)cc1[O-] ZINC000436817194 477599680 /nfs/dbraw/zinc/59/96/80/477599680.db2.gz WLWPFJMMYKSIEF-UHFFFAOYSA-N -1 1 336.731 2.892 20 5 EFBDMM O=c1[n-]nc([C@H]2CCCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)o1 ZINC000413269914 477600914 /nfs/dbraw/zinc/60/09/14/477600914.db2.gz OIKFICHQWGALCS-NSHDSACASA-N -1 1 341.327 2.616 20 5 EFBDMM COc1ccc([O-])c(-c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)c1 ZINC000436995078 477660307 /nfs/dbraw/zinc/66/03/07/477660307.db2.gz BZJJHZGCVWXCEF-UHFFFAOYSA-N -1 1 328.284 2.608 20 5 EFBDMM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000437365269 477700586 /nfs/dbraw/zinc/70/05/86/477700586.db2.gz PRXDIFJDZCRWJV-NWDGAFQWSA-N -1 1 333.731 2.635 20 5 EFBDMM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)F ZINC000451081461 477812802 /nfs/dbraw/zinc/81/28/02/477812802.db2.gz MKSPJOGJMCIGOY-QMMMGPOBSA-N -1 1 328.724 2.570 20 5 EFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCC1=CCCCCC1 ZINC000519574969 478234057 /nfs/dbraw/zinc/23/40/57/478234057.db2.gz VKEFRFULMNQVIO-UHFFFAOYSA-N -1 1 325.390 2.549 20 5 EFBDMM CCOC(=O)N(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000490729787 478376420 /nfs/dbraw/zinc/37/64/20/478376420.db2.gz PEKKRWCDSVHYRX-UHFFFAOYSA-N -1 1 332.316 2.768 20 5 EFBDMM CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000570930563 478482669 /nfs/dbraw/zinc/48/26/69/478482669.db2.gz XLIUMAKVFRQQRQ-NXEZZACHSA-N -1 1 341.795 2.509 20 5 EFBDMM CCN1C[C@@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000570930563 478482677 /nfs/dbraw/zinc/48/26/77/478482677.db2.gz XLIUMAKVFRQQRQ-NXEZZACHSA-N -1 1 341.795 2.509 20 5 EFBDMM C[C@@H](CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1)C(=O)[O-] ZINC000582009051 478490320 /nfs/dbraw/zinc/49/03/20/478490320.db2.gz OTTQPHCROQZUKT-NSHDSACASA-N -1 1 345.355 2.935 20 5 EFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCC[C@H](F)C1 ZINC000571518819 478614173 /nfs/dbraw/zinc/61/41/73/478614173.db2.gz LCEIAARXJPRHJL-UWVGGRQHSA-N -1 1 336.772 2.807 20 5 EFBDMM CCc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2[O-])cc1[N+](=O)[O-] ZINC000505731472 478880916 /nfs/dbraw/zinc/88/09/16/478880916.db2.gz NEVFLIKOSIGQRP-UHFFFAOYSA-N -1 1 344.323 2.902 20 5 EFBDMM C[C@]1(C(=O)[O-])CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000584474915 479149426 /nfs/dbraw/zinc/14/94/26/479149426.db2.gz MYJASAFISCHMHP-KRWDZBQOSA-N -1 1 345.355 2.937 20 5 EFBDMM O=C(c1ccc([O-])cc1)C1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000611143448 479294643 /nfs/dbraw/zinc/29/46/43/479294643.db2.gz SNACKBBAKJNEOH-UHFFFAOYSA-N -1 1 327.340 2.795 20 5 EFBDMM O=C(NCc1cccc(Cl)c1Cl)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000603508123 479396670 /nfs/dbraw/zinc/39/66/70/479396670.db2.gz HUGQZDDFZBYJCX-UHFFFAOYSA-N -1 1 342.138 2.932 20 5 EFBDMM O=C(NCc1cc2c(s1)CCCC2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000604098590 479473406 /nfs/dbraw/zinc/47/34/06/479473406.db2.gz JMXNCIPJBZOXDR-UHFFFAOYSA-N -1 1 333.369 2.566 20 5 EFBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(C)c1F ZINC000619467832 479802554 /nfs/dbraw/zinc/80/25/54/479802554.db2.gz IJDGYZJXBSJDKA-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM CC[C@H]1c2ccccc2CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618383334 480651262 /nfs/dbraw/zinc/65/12/62/480651262.db2.gz IFJDWKBQWWEDAV-AWEZNQCLSA-N -1 1 327.340 2.845 20 5 EFBDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1 ZINC000064467665 521217128 /nfs/dbraw/zinc/21/71/28/521217128.db2.gz FQIUHOOZZLSVHG-UHFFFAOYSA-N -1 1 349.368 2.744 20 5 EFBDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000078776874 526659164 /nfs/dbraw/zinc/65/91/64/526659164.db2.gz PTCPDDBZHYGIAB-UHFFFAOYSA-N -1 1 330.344 2.536 20 5 EFBDMM CC(C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000187109163 527166663 /nfs/dbraw/zinc/16/66/63/527166663.db2.gz LMSVUAZCWUBLHT-UHFFFAOYSA-N -1 1 333.319 2.542 20 5 EFBDMM CCCCn1ncc([N-]c2nc(C(=O)OC)ccc2[N+](=O)[O-])c1C ZINC000342803512 535180279 /nfs/dbraw/zinc/18/02/79/535180279.db2.gz ZLYSEEGTBVKXCS-UHFFFAOYSA-N -1 1 333.348 2.825 20 5 EFBDMM CCC[C@H](Cc1ccccc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193536990 535673072 /nfs/dbraw/zinc/67/30/72/535673072.db2.gz RKYLGTIUMHNFJJ-CQSZACIVSA-N -1 1 329.356 2.837 20 5 EFBDMM COc1cccc([C@@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768817371 577305721 /nfs/dbraw/zinc/30/57/21/577305721.db2.gz NLANUGKIAJUUCM-SECBINFHSA-N -1 1 342.398 2.704 20 5 EFBDMM CCC[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccn1 ZINC000768832133 577307285 /nfs/dbraw/zinc/30/72/85/577307285.db2.gz CZLIGRQNLYXJDS-LBPRGKRZSA-N -1 1 341.414 2.871 20 5 EFBDMM CCC[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccn1 ZINC000768832132 577307351 /nfs/dbraw/zinc/30/73/51/577307351.db2.gz CZLIGRQNLYXJDS-GFCCVEGCSA-N -1 1 341.414 2.871 20 5 EFBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1cccc(F)c1 ZINC000769046875 577327714 /nfs/dbraw/zinc/32/77/14/577327714.db2.gz IPQLPTCSDXYXOH-SECBINFHSA-N -1 1 348.286 2.624 20 5 EFBDMM COc1ccc(OCCOC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000769048756 577327894 /nfs/dbraw/zinc/32/78/94/577327894.db2.gz MGTLDMTWROEIAX-UHFFFAOYSA-N -1 1 333.296 2.545 20 5 EFBDMM CC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1OC ZINC000770199205 577406492 /nfs/dbraw/zinc/40/64/92/577406492.db2.gz IFNAEFBTNFYZJO-LBPRGKRZSA-N -1 1 331.328 2.585 20 5 EFBDMM CCOC(=O)c1ccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c([O-])c1 ZINC000770862456 581142891 /nfs/dbraw/zinc/14/28/91/581142891.db2.gz PBFNFIRVAQPMLO-UHFFFAOYSA-N -1 1 348.286 2.869 20 5 EFBDMM O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc([O-])cc1F ZINC000773565612 581446177 /nfs/dbraw/zinc/44/61/77/581446177.db2.gz KUXAUUYRDYDISD-UHFFFAOYSA-N -1 1 349.270 2.663 20 5 EFBDMM O=C([O-])[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000821510800 598128763 /nfs/dbraw/zinc/12/87/63/598128763.db2.gz LSHNVNZSNADUAL-NSHDSACASA-N -1 1 333.369 2.625 20 5 EFBDMM COc1ccc([C@@H](NCc2cc([N+](=O)[O-])ccc2OC)C(=O)[O-])cc1 ZINC000737971525 599859025 /nfs/dbraw/zinc/85/90/25/599859025.db2.gz RRJBNRQPHBQJAP-MRXNPFEDSA-N -1 1 346.339 2.528 20 5 EFBDMM CC(C)[C@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)N1CCCCC1 ZINC000736347208 600189929 /nfs/dbraw/zinc/18/99/29/600189929.db2.gz GQEPHEDUUFHGIB-OAHLLOKOSA-N -1 1 349.387 2.742 20 5 EFBDMM O=C([O-])CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000739724107 600216292 /nfs/dbraw/zinc/21/62/92/600216292.db2.gz HNDJCBSKOMPAHH-ZDUSSCGKSA-N -1 1 342.779 2.704 20 5 EFBDMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000827928749 601012434 /nfs/dbraw/zinc/01/24/34/601012434.db2.gz OTGBAFUYKKVVBE-WDEREUQCSA-N -1 1 346.343 2.528 20 5 EFBDMM C[C@@H](NCc1cccc(OCC(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000827740892 601380599 /nfs/dbraw/zinc/38/05/99/601380599.db2.gz FGJVKIKRERRMLW-GFCCVEGCSA-N -1 1 330.340 2.909 20 5 EFBDMM C[C@@]1(C(=O)[O-])CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000833553573 604674460 /nfs/dbraw/zinc/67/44/60/604674460.db2.gz FPHAGEWRJAFIPX-CYBMUJFWSA-N -1 1 343.177 2.654 20 5 EFBDMM O=C([O-])C[C@H]1CCCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000833212183 604976945 /nfs/dbraw/zinc/97/69/45/604976945.db2.gz UVMSBMKRHJORJL-SECBINFHSA-N -1 1 337.357 2.769 20 5 EFBDMM CC1=C(C(=O)[O-])C[C@H](CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000833584605 605358469 /nfs/dbraw/zinc/35/84/69/605358469.db2.gz QIZLLLHHYBVLHG-OAHLLOKOSA-N -1 1 332.356 2.707 20 5 EFBDMM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000833418305 605710450 /nfs/dbraw/zinc/71/04/50/605710450.db2.gz GFDGGKVZSXJCTQ-UHFFFAOYSA-N -1 1 344.323 2.915 20 5 EFBDMM C[C@H]1CC(C)(C)CC[C@H]1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820650953 606714595 /nfs/dbraw/zinc/71/45/95/606714595.db2.gz ZOIICMJSXVBOHS-GXSJLCMTSA-N -1 1 331.380 2.797 20 5 EFBDMM C[C@H]1CC(C)(C)CC[C@H]1Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820650953 606714596 /nfs/dbraw/zinc/71/45/96/606714596.db2.gz ZOIICMJSXVBOHS-GXSJLCMTSA-N -1 1 331.380 2.797 20 5 EFBDMM CC(C)CCC1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000820072708 606720315 /nfs/dbraw/zinc/72/03/15/606720315.db2.gz LIBWOKQQNODLMO-UHFFFAOYSA-N -1 1 345.407 2.823 20 5 EFBDMM CC(C)CCC1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000820072708 606720316 /nfs/dbraw/zinc/72/03/16/606720316.db2.gz LIBWOKQQNODLMO-UHFFFAOYSA-N -1 1 345.407 2.823 20 5 EFBDMM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791412177 1278094190 /nfs/dbraw/zinc/09/41/90/1278094190.db2.gz WGKIFQBAMICRIP-LURJTMIESA-N -1 1 327.189 2.978 20 5 EFBDMM C[C@@H]1CCC[C@@H](C)C1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000735081662 1267198890 /nfs/dbraw/zinc/19/88/90/1267198890.db2.gz MYCUOMOYYDPLJE-NXEZZACHSA-N -1 1 330.381 2.837 20 5 EFBDMM O=[N+]([O-])c1c([N-]c2cnn(CC(F)(F)F)c2)nc2ccccn21 ZINC000735668419 1267400385 /nfs/dbraw/zinc/40/03/85/1267400385.db2.gz GTNCHRIASYPVIT-UHFFFAOYSA-N -1 1 326.238 2.745 20 5 EFBDMM CSCC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000736347119 1267583015 /nfs/dbraw/zinc/58/30/15/1267583015.db2.gz SHYBINSSNOUBMO-QMMMGPOBSA-N -1 1 338.838 2.668 20 5 EFBDMM O=c1nc2nc[nH]c2c(Nc2nc(-c3ccccc3)ccc2[N+](=O)[O-])[n-]1 ZINC001170226336 1278938620 /nfs/dbraw/zinc/93/86/20/1278938620.db2.gz HZNGCWDZUAXMTO-UHFFFAOYSA-N -1 1 349.310 2.772 20 5 EFBDMM O=c1nc2nc[nH]c2c(Nc2cc(Cl)ccc2C=C[N+](=O)[O-])[n-]1 ZINC001170228464 1278942448 /nfs/dbraw/zinc/94/24/48/1278942448.db2.gz FQHBHHAOFFYMNN-ONEGZZNKSA-N -1 1 332.707 2.703 20 5 EFBDMM CC1(C)C[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815012904 1287246465 /nfs/dbraw/zinc/24/64/65/1287246465.db2.gz NRTRYYQPDHBLGF-SSDOTTSWSA-N -1 1 336.772 2.712 20 5 EFBDMM O=C(CCNc1ccccc1[N+](=O)[O-])Nc1nc(Cl)ccc1[O-] ZINC000789930181 1277077083 /nfs/dbraw/zinc/07/70/83/1277077083.db2.gz FQLPXTSETGLJAX-UHFFFAOYSA-N -1 1 336.735 2.790 20 5 EFBDMM C[C@@]1(C(=O)[O-])CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923245355 1277342649 /nfs/dbraw/zinc/34/26/49/1277342649.db2.gz VAYJWPWRNSSJFY-CYBMUJFWSA-N -1 1 343.177 2.654 20 5 EFBDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000791016692 1277914657 /nfs/dbraw/zinc/91/46/57/1277914657.db2.gz WLHFJLILOAIXAX-UHFFFAOYSA-N -1 1 344.371 2.761 20 5 EFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCCF)c(Cl)cc1Cl ZINC000791421681 1278075499 /nfs/dbraw/zinc/07/54/99/1278075499.db2.gz AVKSIQLQBPPLCU-UHFFFAOYSA-N -1 1 331.152 2.540 20 5 EFBDMM COc1cccc2c(C(=O)OCc3ccc([N+](=O)[O-])cc3)[nH]nc21 ZINC000808675122 1281860214 /nfs/dbraw/zinc/86/02/14/1281860214.db2.gz WUKCNYBNVJUNIR-UHFFFAOYSA-N -1 1 327.296 2.837 20 5 EFBDMM COc1cccc2c(C(=O)OCc3ccccc3[N+](=O)[O-])[nH]nc21 ZINC000808675469 1281860238 /nfs/dbraw/zinc/86/02/38/1281860238.db2.gz HZLIBCQMEIVQQW-UHFFFAOYSA-N -1 1 327.296 2.837 20 5 EFBDMM CC1(C)C[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809816644 1282477916 /nfs/dbraw/zinc/47/79/16/1282477916.db2.gz LZVJVABNVYYCGA-ZETCQYMHSA-N -1 1 336.772 2.712 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCCC2CC2)cc1Cl ZINC000809818921 1282516425 /nfs/dbraw/zinc/51/64/25/1282516425.db2.gz RJFDGPUZMOJRDU-UHFFFAOYSA-N -1 1 336.772 2.856 20 5 EFBDMM O=C([N-]C[C@@H]1CCCN(c2ccsc2[N+](=O)[O-])C1)C(F)(F)F ZINC000811855645 1284693856 /nfs/dbraw/zinc/69/38/56/1284693856.db2.gz AYVVOUSARPBTDU-QMMMGPOBSA-N -1 1 337.323 2.551 20 5 EFBDMM O=C([N-]C[C@H]1CCCN(c2ccsc2[N+](=O)[O-])C1)C(F)(F)F ZINC000811855644 1284693494 /nfs/dbraw/zinc/69/34/94/1284693494.db2.gz AYVVOUSARPBTDU-MRVPVSSYSA-N -1 1 337.323 2.551 20 5 EFBDMM O=C([N-]C[C@@H]1CCCN(c2sccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000811856230 1284695479 /nfs/dbraw/zinc/69/54/79/1284695479.db2.gz LPRNXPQJWGQHTI-QMMMGPOBSA-N -1 1 337.323 2.551 20 5 EFBDMM Cc1cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n(-c2ccncc2)n1 ZINC001174503529 1287044687 /nfs/dbraw/zinc/04/46/87/1287044687.db2.gz DUAVZOAOQNNKMX-UHFFFAOYSA-N -1 1 339.311 2.926 20 5 EFBDMM C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879766212 1292263347 /nfs/dbraw/zinc/26/33/47/1292263347.db2.gz VUAIBFUCHNMOFK-YGRLFVJLSA-N -1 1 345.321 2.799 20 5 EFBDMM CC(C)CCn1cc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)nn1 ZINC000128145094 1292333156 /nfs/dbraw/zinc/33/31/56/1292333156.db2.gz QVUGPPLCSRFTGA-UHFFFAOYSA-N -1 1 339.302 2.763 20 5 EFBDMM C[C@@H](O)CCCC(=O)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233501004 1312944546 /nfs/dbraw/zinc/94/45/46/1312944546.db2.gz WPKYEHWMGVBHPC-SSDOTTSWSA-N -1 1 327.724 2.581 20 5 EFBDMM CCOC(=O)C[C@@H](C)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233498301 1312943708 /nfs/dbraw/zinc/94/37/08/1312943708.db2.gz LPIHRZCEBNSKTP-SSDOTTSWSA-N -1 1 327.724 2.845 20 5 EFBDMM CC[C@@H](CC(=O)OC)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233500796 1312943880 /nfs/dbraw/zinc/94/38/80/1312943880.db2.gz UVCFOZUFKJFDMK-ZETCQYMHSA-N -1 1 327.724 2.845 20 5 EFBDMM COC[C@H](C)OC[C@@H](C)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233505769 1312947025 /nfs/dbraw/zinc/94/70/25/1312947025.db2.gz GFWVNYGGWUNNED-DTWKUNHWSA-N -1 1 343.767 2.943 20 5 EFBDMM COC(=O)c1sc(SC)nc1[N-]c1ccc([N+](=O)[O-])nc1 ZINC001203560736 1312956409 /nfs/dbraw/zinc/95/64/09/1312956409.db2.gz ODNYUSLRULGVIM-UHFFFAOYSA-N -1 1 326.359 2.698 20 5 EFBDMM Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(O)c2F)cc1[N+](=O)[O-] ZINC000131538520 1293548355 /nfs/dbraw/zinc/54/83/55/1293548355.db2.gz ZNSHIKLZBUOXBQ-UHFFFAOYSA-N -1 1 344.295 2.688 20 5 EFBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000132259947 1293642880 /nfs/dbraw/zinc/64/28/80/1293642880.db2.gz VYAYDLRGQNOALA-UHFFFAOYSA-N -1 1 328.296 2.982 20 5 EFBDMM COc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC000132264764 1293643847 /nfs/dbraw/zinc/64/38/47/1293643847.db2.gz JMHHHSWTNFNHPO-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccs1 ZINC000101568513 1293775847 /nfs/dbraw/zinc/77/58/47/1293775847.db2.gz YDBRJSDLHPBVGK-UHFFFAOYSA-N -1 1 332.790 2.788 20 5 EFBDMM Cc1nsc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Br)n1 ZINC000135430738 1294223771 /nfs/dbraw/zinc/22/37/71/1294223771.db2.gz RHTSWXWHOACWLI-UHFFFAOYSA-N -1 1 343.162 2.770 20 5 EFBDMM COC(=O)[N-]C(=S)N(c1cccc([N+](=O)[O-])c1)c1ccccc1N ZINC001204477587 1313146498 /nfs/dbraw/zinc/14/64/98/1313146498.db2.gz VMZHUEPJAMMORH-UHFFFAOYSA-N -1 1 346.368 2.956 20 5 EFBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(OC[C@H]3CCCO3)c12 ZINC001234741003 1313187881 /nfs/dbraw/zinc/18/78/81/1313187881.db2.gz DHMIZYFUSRSGHG-LLVKDONJSA-N -1 1 328.320 2.915 20 5 EFBDMM CC(C)N1CC(Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)C1 ZINC001234745702 1313188255 /nfs/dbraw/zinc/18/82/55/1313188255.db2.gz WSCZKYJTZNONDI-UHFFFAOYSA-N -1 1 341.363 2.829 20 5 EFBDMM O=c1c2cc(O)ccc2oc2cc([O-])cc(O[C@@H]3CCOC[C@@H]3F)c12 ZINC001234747073 1313188547 /nfs/dbraw/zinc/18/85/47/1313188547.db2.gz HZHSJWGWFYNKCI-GXTWGEPZSA-N -1 1 346.310 2.863 20 5 EFBDMM CCOC(=O)C[C@@H](C)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234878825 1313202527 /nfs/dbraw/zinc/20/25/27/1313202527.db2.gz YIBPPGQTXQQMNQ-SSDOTTSWSA-N -1 1 348.149 2.783 20 5 EFBDMM C[C@@H]1COCC[C@@H]1Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234874074 1313201680 /nfs/dbraw/zinc/20/16/80/1313201680.db2.gz IPSZBNMGWVRWRV-HQJQHLMTSA-N -1 1 332.150 2.867 20 5 EFBDMM C[C@H](Oc1c([O-])cc(Br)cc1[N+](=O)[O-])c1cnccn1 ZINC001234875855 1313201869 /nfs/dbraw/zinc/20/18/69/1313201869.db2.gz WBRBOCGTMFVIQF-ZETCQYMHSA-N -1 1 340.133 2.993 20 5 EFBDMM C[C@@H](Oc1c([O-])cc(Br)cc1[N+](=O)[O-])c1cncnc1 ZINC001234877123 1313201955 /nfs/dbraw/zinc/20/19/55/1313201955.db2.gz LMSORVNWXVEXNT-SSDOTTSWSA-N -1 1 340.133 2.993 20 5 EFBDMM COC(=O)[N-]C(=S)N(c1ccccc1N)c1ccccc1[N+](=O)[O-] ZINC001206188433 1313417905 /nfs/dbraw/zinc/41/79/05/1313417905.db2.gz PDFFOCKHTCRCJV-UHFFFAOYSA-N -1 1 346.368 2.956 20 5 EFBDMM CON(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](C)c1ccccc1C ZINC000854520638 1300607319 /nfs/dbraw/zinc/60/73/19/1300607319.db2.gz IKQYQYBAPNNBKW-NSHDSACASA-N -1 1 331.328 2.769 20 5 EFBDMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)Cc2cccc(F)c2)c1 ZINC000800928917 1308687783 /nfs/dbraw/zinc/68/77/83/1308687783.db2.gz YWBWFXGRKNQWJV-UHFFFAOYSA-N -1 1 328.296 2.815 20 5 EFBDMM O=c1[n-]cnc(Nc2cccc([N+](=O)[O-])c2F)c1Br ZINC001210382270 1314324415 /nfs/dbraw/zinc/32/44/15/1314324415.db2.gz QMBUYUINTGZPOC-UHFFFAOYSA-N -1 1 329.085 2.736 20 5 EFBDMM C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@]1(C)C(=O)[O-] ZINC000901543344 1310639986 /nfs/dbraw/zinc/63/99/86/1310639986.db2.gz WQVQDDNGIFUWFO-RFAUZJTJSA-N -1 1 344.314 2.739 20 5 EFBDMM CC(C)CN(CC(=O)[O-])Cc1c(Br)cccc1[N+](=O)[O-] ZINC000901589616 1310712857 /nfs/dbraw/zinc/71/28/57/1310712857.db2.gz BJUHIBIVBXHENH-UHFFFAOYSA-N -1 1 345.193 2.900 20 5 EFBDMM Cc1cc(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)ccc1F ZINC000780068104 1310950276 /nfs/dbraw/zinc/95/02/76/1310950276.db2.gz JOLILLJJDWXNCZ-UHFFFAOYSA-N -1 1 333.271 2.788 20 5 EFBDMM CC(=O)Oc1ccc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000780067916 1310963967 /nfs/dbraw/zinc/96/39/67/1310963967.db2.gz IKPOYYGJWRQORH-UHFFFAOYSA-N -1 1 331.280 2.583 20 5 EFBDMM O=C(OCc1cnn(-c2ccccc2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074775 1311112805 /nfs/dbraw/zinc/11/28/05/1311112805.db2.gz HUTNFWCJWIGNRB-UHFFFAOYSA-N -1 1 339.307 2.843 20 5 EFBDMM Cc1cccc2nc(COC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cn21 ZINC000780075513 1311192490 /nfs/dbraw/zinc/19/24/90/1311192490.db2.gz LCDGSZSMRUVMAA-UHFFFAOYSA-N -1 1 327.296 2.614 20 5 EFBDMM Cc1cnn(CCCCCOC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000780077126 1311266791 /nfs/dbraw/zinc/26/67/91/1311266791.db2.gz UQMKUFORMXUHCF-UHFFFAOYSA-N -1 1 333.344 2.833 20 5 EFBDMM O=[N+]([O-])c1cc(C(F)(F)NCc2ncccc2[O-])cnc1Cl ZINC001158770939 1311384609 /nfs/dbraw/zinc/38/46/09/1311384609.db2.gz NXVGOZNGMCPMRL-UHFFFAOYSA-N -1 1 330.678 2.583 20 5 EFBDMM O=[N+]([O-])c1ccccc1[C@@H](OCC[P@@](=O)([O-])O)c1ccccc1 ZINC001224601534 1311412715 /nfs/dbraw/zinc/41/27/15/1311412715.db2.gz HYXZTPWBXPYHDR-HNNXBMFYSA-N -1 1 337.268 2.879 20 5 EFBDMM O=c1[n-]c2nc(=O)[nH]c(Nc3ccc4ccc5cccnc5c4n3)c2[nH]1 ZINC001159184915 1311468962 /nfs/dbraw/zinc/46/89/62/1311468962.db2.gz CBRSWAWFRBOITO-UHFFFAOYSA-N -1 1 345.322 2.556 20 5 EFBDMM COCC(=O)c1ccc([O-])cc1O[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001227168717 1311771630 /nfs/dbraw/zinc/77/16/30/1311771630.db2.gz MFHDBYVCKLADPO-OAHLLOKOSA-N -1 1 343.335 2.676 20 5 EFBDMM O=c1c2cc(O[C@@H]3CCCOC3)c([O-])cc2oc2cccc(O)c12 ZINC001227305898 1311791523 /nfs/dbraw/zinc/79/15/23/1311791523.db2.gz BTAGJQDQGXDQDH-SNVBAGLBSA-N -1 1 328.320 2.915 20 5 EFBDMM O=c1c2cc(O[C@H]3CCCOC3)c([O-])cc2oc2cccc(O)c12 ZINC001227305896 1311791788 /nfs/dbraw/zinc/79/17/88/1311791788.db2.gz BTAGJQDQGXDQDH-JTQLQIEISA-N -1 1 328.320 2.915 20 5 EFBDMM CC(C)Oc1cc(F)c(COc2nc[n-]c(=O)c2[N+](=O)[O-])c(F)c1 ZINC001228140685 1311906648 /nfs/dbraw/zinc/90/66/48/1311906648.db2.gz MGVLLJAFTVOKLS-UHFFFAOYSA-N -1 1 341.270 2.735 20 5 EFBDMM O=[N+]([O-])c1ccc([C@@H](Oc2cnnc(=S)[n-]2)C(F)(F)F)cc1 ZINC001228636234 1311973293 /nfs/dbraw/zinc/97/32/93/1311973293.db2.gz IVXFZUMMAXAYOW-SECBINFHSA-N -1 1 332.263 2.751 20 5 EFBDMM O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1cc([O-])c(Cl)cc1Cl)C2 ZINC001229406547 1312091221 /nfs/dbraw/zinc/09/12/21/1312091221.db2.gz YKJZJZAYPXCUOD-LURJTMIESA-N -1 1 346.126 2.644 20 5 EFBDMM CC(C)OC(=O)COc1cc2c3ccc([O-])cc3oc(=O)c2cc1O ZINC001229804000 1312143043 /nfs/dbraw/zinc/14/30/43/1312143043.db2.gz UWSVMUJIYZQZHT-UHFFFAOYSA-N -1 1 344.319 2.688 20 5 EFBDMM CCOC(=O)[C@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC001231260232 1312466003 /nfs/dbraw/zinc/46/60/03/1312466003.db2.gz SVOPKBCQIFUPBW-CQSZACIVSA-N -1 1 332.312 2.687 20 5 EFBDMM COc1ccc2c(c1)CC[C@@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])C2 ZINC001231261466 1312466491 /nfs/dbraw/zinc/46/64/91/1312466491.db2.gz BIEUDIITAXMGPP-CQSZACIVSA-N -1 1 330.340 2.949 20 5 EFBDMM COc1cccc(OC[C@H](C)Oc2nc(C)cc([O-])c2[N+](=O)[O-])c1 ZINC001231264332 1312466932 /nfs/dbraw/zinc/46/69/32/1312466932.db2.gz QDJPBDJAAYMBEX-NSHDSACASA-N -1 1 334.328 2.859 20 5 EFBDMM Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NCC[N-]C(=O)C(F)(F)F ZINC001164250820 1312478760 /nfs/dbraw/zinc/47/87/60/1312478760.db2.gz AWKHRYUAVXKCCU-UHFFFAOYSA-N -1 1 349.309 2.781 20 5 EFBDMM COc1ccc(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)c([O-])c1 ZINC001215149303 1314789346 /nfs/dbraw/zinc/78/93/46/1314789346.db2.gz FPBKCESGMBMCBJ-UHFFFAOYSA-N -1 1 332.247 2.560 20 5 EFBDMM Cc1cc(O)cc([O-])c1-c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001216987527 1315028000 /nfs/dbraw/zinc/02/80/00/1315028000.db2.gz VQRNOHCUQGHKBP-UHFFFAOYSA-N -1 1 332.247 2.566 20 5 EFBDMM O=c1c2ccc([O-])cc2oc2cc(O[C@@H]3CNCC3(F)F)ccc12 ZINC001218235003 1315167970 /nfs/dbraw/zinc/16/79/70/1315167970.db2.gz IQTFHJNNZNPLKB-OAHLLOKOSA-N -1 1 333.290 2.638 20 5 EFBDMM O=c1oc2cc([O-])ccc2c2cc(OC[C@H]3C[C@H](O)C3)c(O)cc12 ZINC001218427439 1315194143 /nfs/dbraw/zinc/19/41/43/1315194143.db2.gz ASPBWBLJYMNQOG-HOMQSWHASA-N -1 1 328.320 2.507 20 5 EFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](F)C1 ZINC001332119103 1330923605 /nfs/dbraw/zinc/92/36/05/1330923605.db2.gz KZOBABJGDGLDFT-NXEZZACHSA-N -1 1 336.772 2.807 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C/C=C\C2CC2)cc1Cl ZINC001343890267 1332388633 /nfs/dbraw/zinc/38/86/33/1332388633.db2.gz LYAUJYXPOAKMQA-UPHRSURJSA-N -1 1 334.756 2.632 20 5 EFBDMM CC1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC=CC1 ZINC000848468118 1334731574 /nfs/dbraw/zinc/73/15/74/1334731574.db2.gz LUOGWCJPHXPJMX-UHFFFAOYSA-N -1 1 334.756 2.774 20 5 EFBDMM CSCC1(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000849427249 1335613096 /nfs/dbraw/zinc/61/30/96/1335613096.db2.gz KZCQXDSTXLSZRP-UHFFFAOYSA-N -1 1 348.421 2.546 20 5 EFBDMM C[C@@H](CN(C)c1c(Cl)cc([N+](=O)[O-])cc1Cl)c1nnn[n-]1 ZINC000129852392 1423512600 /nfs/dbraw/zinc/51/26/00/1423512600.db2.gz RSUQWUMYOYUMJK-LURJTMIESA-N -1 1 331.163 2.655 20 5 EFBDMM O=[N+]([O-])c1cc(NCc2cccc(-c3nnn[n-]3)c2F)ccc1F ZINC000826498222 1428218132 /nfs/dbraw/zinc/21/81/32/1428218132.db2.gz LTLUXICQNSGUTN-UHFFFAOYSA-N -1 1 332.270 2.665 20 5 EFBDMM CC(C)[C@H]1OCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820051908 1427985148 /nfs/dbraw/zinc/98/51/48/1427985148.db2.gz XNWLVWAGTLWEEQ-XHDPSFHLSA-N -1 1 346.391 2.638 20 5 EFBDMM O=[N+]([O-])c1ccc(NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)c(-c2nnn[n-]2)c1 ZINC000823639437 1428288021 /nfs/dbraw/zinc/28/80/21/1428288021.db2.gz AJVXSHXINALLIM-FRFSOERESA-N -1 1 348.366 2.773 20 5 EFBDMM CC(C)(C)c1cnc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC000819966026 1428788248 /nfs/dbraw/zinc/78/82/48/1428788248.db2.gz SSKBGDRZWOIXKV-UHFFFAOYSA-N -1 1 343.347 2.673 20 5 EFBDMM Cc1ccc(CN(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)s1 ZINC000737341570 1429099467 /nfs/dbraw/zinc/09/94/67/1429099467.db2.gz MESUTGXKHBOFBX-UHFFFAOYSA-N -1 1 330.373 2.781 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H]1CCc2ccccc21 ZINC000738358058 1429207275 /nfs/dbraw/zinc/20/72/75/1429207275.db2.gz KLFLRWYEQIZSGA-CYBMUJFWSA-N -1 1 336.355 2.917 20 5 EFBDMM COc1cc(-c2nnn[n-]2)ccc1COc1ccc([N+](=O)[O-])c(C)c1 ZINC000826173333 1429396483 /nfs/dbraw/zinc/39/64/83/1429396483.db2.gz YLONQHAYYJWCSX-UHFFFAOYSA-N -1 1 341.327 2.671 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1COc1cccc(F)c1-c1nnn[n-]1 ZINC000826212153 1429575609 /nfs/dbraw/zinc/57/56/09/1429575609.db2.gz IARPKISJGAFEPQ-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM COc1cc(C)ccc1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821713234 1423875220 /nfs/dbraw/zinc/87/52/20/1423875220.db2.gz SGJBRUYPXNJGII-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@H]1c1ccsc1 ZINC000823620964 1424213093 /nfs/dbraw/zinc/21/30/93/1424213093.db2.gz UVNGPKAVDAZPNL-NSHDSACASA-N -1 1 343.372 2.573 20 5 EFBDMM C[C@H](OC(=O)c1csc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518417 1424302365 /nfs/dbraw/zinc/30/23/65/1424302365.db2.gz DGJBOSIZOUWCBY-QMMMGPOBSA-N -1 1 345.340 2.754 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CCC[C@@H](C(F)(F)F)C2)cc1-c1nnn[n-]1 ZINC000826498865 1424957635 /nfs/dbraw/zinc/95/76/35/1424957635.db2.gz MNDZJQAHMJPXAZ-MRVPVSSYSA-N -1 1 342.281 2.554 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822271303 1425142658 /nfs/dbraw/zinc/14/26/58/1425142658.db2.gz WCJZBMFWCSGCPT-UHFFFAOYSA-N -1 1 329.291 2.801 20 5 EFBDMM Cc1cc(OCc2cc(F)ccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000822211671 1425528103 /nfs/dbraw/zinc/52/81/03/1425528103.db2.gz KFJBHSRJKUWEPF-UHFFFAOYSA-N -1 1 329.291 2.801 20 5 EFBDMM Cc1cccc([C@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1C ZINC000822288813 1425774225 /nfs/dbraw/zinc/77/42/25/1425774225.db2.gz KCMQDBWJNGJGNP-NSHDSACASA-N -1 1 339.359 2.960 20 5 EFBDMM O=[N+]([O-])c1cccc(F)c1CSc1ccc(-c2nnn[n-]2)cn1 ZINC000738370157 1425792522 /nfs/dbraw/zinc/79/25/22/1425792522.db2.gz QXAZWDPHRBXPTC-UHFFFAOYSA-N -1 1 332.320 2.601 20 5 EFBDMM O=[N+]([O-])c1cnc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c(-c2nnn[n-]2)c1 ZINC000823651974 1425839193 /nfs/dbraw/zinc/83/91/93/1425839193.db2.gz ULINSBLLKBJPLZ-GMTAPVOTSA-N -1 1 329.364 2.551 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821846491 1426004023 /nfs/dbraw/zinc/00/40/23/1426004023.db2.gz SPMAUDQOPGGTOB-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM Cc1ccccc1C[C@@H](C)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822355965 1426020139 /nfs/dbraw/zinc/02/01/39/1426020139.db2.gz DRYNMYTZXJPMGI-LLVKDONJSA-N -1 1 339.359 2.521 20 5 EFBDMM COc1ccc(-c2nnn[n-]2)cc1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000737062808 1426149770 /nfs/dbraw/zinc/14/97/70/1426149770.db2.gz PBKQQRWTCREKQP-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000820426660 1426339765 /nfs/dbraw/zinc/33/97/65/1426339765.db2.gz MCNMRWILWQSLPE-JTQLQIEISA-N -1 1 342.334 2.765 20 5 EFBDMM COc1cc(F)c([N+](=O)[O-])c(Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826179951 1426711761 /nfs/dbraw/zinc/71/17/61/1426711761.db2.gz MENWCZFKGPYFFY-UHFFFAOYSA-N -1 1 349.253 2.854 20 5 EFBDMM COc1ccc(-c2nnn[n-]2)cc1CNc1cc([N+](=O)[O-])ccc1F ZINC000821732139 1427056929 /nfs/dbraw/zinc/05/69/29/1427056929.db2.gz KHDFQYLLMUZAHN-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM O=[N+]([O-])c1ccc(F)cc1OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823639943 1427140668 /nfs/dbraw/zinc/14/06/68/1427140668.db2.gz MYQFQSLIDFINRL-UHFFFAOYSA-N -1 1 333.254 2.632 20 5 EFBDMM CCS[C@@H]1CCC[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821454887 1427167164 /nfs/dbraw/zinc/16/71/64/1427167164.db2.gz HLXNVNRJKCRIBR-NXEZZACHSA-N -1 1 349.420 2.646 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCOC2(CCCC2)C1 ZINC000823630035 1427366196 /nfs/dbraw/zinc/36/61/96/1427366196.db2.gz QFIBAWMCQOYJFY-GFCCVEGCSA-N -1 1 344.375 2.679 20 5 EFBDMM Cc1ccc(OCCOc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826292543 1427392252 /nfs/dbraw/zinc/39/22/52/1427392252.db2.gz ZCHRXJJIIXMLBP-UHFFFAOYSA-N -1 1 341.327 2.541 20 5 EFBDMM CCc1ccc(C(=O)Nc2sccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821475875 1427647760 /nfs/dbraw/zinc/64/77/60/1427647760.db2.gz BTLYONSMVJOBMK-UHFFFAOYSA-N -1 1 344.356 2.651 20 5 EFBDMM CCc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)s2)c([N+](=O)[O-])c1 ZINC000821487067 1428134815 /nfs/dbraw/zinc/13/48/15/1428134815.db2.gz PFSTTXRKARLXIJ-UHFFFAOYSA-N -1 1 345.340 2.618 20 5 EFBDMM Cc1c(Oc2snc(Cl)c2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826242936 1430007672 /nfs/dbraw/zinc/00/76/72/1430007672.db2.gz MOWSYIFCFINIJH-UHFFFAOYSA-N -1 1 338.736 2.986 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826293104 1441520116 /nfs/dbraw/zinc/52/01/16/1441520116.db2.gz BCHUWILMGGGGSZ-UHFFFAOYSA-N -1 1 329.291 2.801 20 5 EFBDMM C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1F ZINC000824626701 1441703897 /nfs/dbraw/zinc/70/38/97/1441703897.db2.gz RXDRNBKEWLXCMP-JTQLQIEISA-N -1 1 342.334 2.765 20 5 EFBDMM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000820508549 1441910536 /nfs/dbraw/zinc/91/05/36/1441910536.db2.gz RJUFKIOKVORXSI-QMMMGPOBSA-N -1 1 345.340 2.754 20 5 EFBDMM Cc1ccc(-c2nnn[n-]2)cc1OCCOc1ccc([N+](=O)[O-])cc1 ZINC000822221287 1442052336 /nfs/dbraw/zinc/05/23/36/1442052336.db2.gz IPICKVCJUMKRHZ-UHFFFAOYSA-N -1 1 341.327 2.541 20 5 EFBDMM O=[N+]([O-])c1ccc(F)cc1COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000738368291 1442404511 /nfs/dbraw/zinc/40/45/11/1442404511.db2.gz BSIJQEIUFCPJDT-UHFFFAOYSA-N -1 1 333.254 2.632 20 5 EFBDMM CN(CC(C)(C)C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821594058 1443174164 /nfs/dbraw/zinc/17/41/64/1443174164.db2.gz WXJDSWZXDDIZDB-UHFFFAOYSA-N -1 1 341.375 2.805 20 5 EFBDMM COc1ccc(-c2nnn[n-]2)cc1COc1cc(C)ccc1[N+](=O)[O-] ZINC000821749491 1443375415 /nfs/dbraw/zinc/37/54/15/1443375415.db2.gz OUQIENYVGHDQJK-UHFFFAOYSA-N -1 1 341.327 2.671 20 5 EFBDMM C[C@H]1CCC[C@@H](CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820697442 1443396074 /nfs/dbraw/zinc/39/60/74/1443396074.db2.gz HICTZTADRHXWPH-QWRGUYRKSA-N -1 1 331.380 2.798 20 5 EFBDMM Cc1cnc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)s1 ZINC000822388805 1443401766 /nfs/dbraw/zinc/40/17/66/1443401766.db2.gz BMKFBUKKPRJQSB-MRVPVSSYSA-N -1 1 331.361 2.713 20 5 EFBDMM Cc1ccc(C[C@@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])s1 ZINC000822234692 1443523109 /nfs/dbraw/zinc/52/31/09/1443523109.db2.gz DUSJDDSLCZOVSP-MRVPVSSYSA-N -1 1 345.388 2.583 20 5 EFBDMM CC1(C)CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c2ccccc21 ZINC000820607210 1443526542 /nfs/dbraw/zinc/52/65/42/1443526542.db2.gz MKUPFHDSOKRRED-UHFFFAOYSA-N -1 1 337.343 2.599 20 5 EFBDMM Cc1cc([N+](=O)[O-])ccc1OCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000826272349 1443600593 /nfs/dbraw/zinc/60/05/93/1443600593.db2.gz FJZZFCNRCHTKMX-UHFFFAOYSA-N -1 1 341.327 2.541 20 5 EFBDMM Cc1csc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000737455166 1443688096 /nfs/dbraw/zinc/68/80/96/1443688096.db2.gz MWAKRMIPJWHGJV-MRVPVSSYSA-N -1 1 331.361 2.713 20 5 EFBDMM CCO[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C12CCC2 ZINC000736611647 1443834513 /nfs/dbraw/zinc/83/45/13/1443834513.db2.gz JZOWMQJUBJWZHY-KGLIPLIRSA-N -1 1 344.375 2.535 20 5 EFBDMM O=[N+]([O-])c1ccc(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000826498277 1443897221 /nfs/dbraw/zinc/89/72/21/1443897221.db2.gz OECOAZYYKLILLR-UHFFFAOYSA-N -1 1 336.355 2.944 20 5 EFBDMM Cc1ccc(CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C2CC2)o1 ZINC000737343469 1443947629 /nfs/dbraw/zinc/94/76/29/1443947629.db2.gz ZGRYQPFHDLENPE-UHFFFAOYSA-N -1 1 340.343 2.845 20 5 EFBDMM Cc1cnc(Oc2ccc(-c3nn[n-]n3)cc2Cl)c([N+](=O)[O-])c1 ZINC000822399448 1443979898 /nfs/dbraw/zinc/97/98/98/1443979898.db2.gz IGLLQTYGHSUWAR-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM C[C@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000736163959 1443981206 /nfs/dbraw/zinc/98/12/06/1443981206.db2.gz SXSSDHAHQGQJMX-JTQLQIEISA-N -1 1 339.311 2.693 20 5 EFBDMM Cc1nc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000822453261 1446097825 /nfs/dbraw/zinc/09/78/25/1446097825.db2.gz GLRKVBONGXLKFZ-VIFPVBQESA-N -1 1 325.332 2.651 20 5 EFBDMM CC(C)[C@@H](C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824192848 1446225010 /nfs/dbraw/zinc/22/50/10/1446225010.db2.gz MYAAHZJBNSBLBA-SSDOTTSWSA-N -1 1 338.755 2.659 20 5 EFBDMM Cc1cccc([N+](=O)[O-])c1OC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826252492 1446231586 /nfs/dbraw/zinc/23/15/86/1446231586.db2.gz FKWZVLJIQBMCPN-UHFFFAOYSA-N -1 1 339.311 2.611 20 5 EFBDMM Cc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c(Cl)c1 ZINC000737365770 1446371862 /nfs/dbraw/zinc/37/18/62/1446371862.db2.gz KSHINENGZDXCOZ-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM CCNc1ccc(-c2nnn[n-]2)cc1NCc1ccc([N+](=O)[O-])cc1 ZINC000825480716 1446376975 /nfs/dbraw/zinc/37/69/75/1446376975.db2.gz HQLZEGOUUIHNAI-UHFFFAOYSA-N -1 1 339.359 2.819 20 5 EFBDMM O=[N+]([O-])c1cc(F)cc(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000823634221 1446417242 /nfs/dbraw/zinc/41/72/42/1446417242.db2.gz DSMKDRLNKUIBKU-UHFFFAOYSA-N -1 1 346.234 2.615 20 5 EFBDMM Cc1cc(-c2nnn[n-]2)ccc1OCCOc1cccc([N+](=O)[O-])c1 ZINC000826255300 1446485206 /nfs/dbraw/zinc/48/52/06/1446485206.db2.gz SCDHSBVIBCBRLQ-UHFFFAOYSA-N -1 1 341.327 2.541 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)c(-c2nnn[n-]2)c1 ZINC000823640226 1446500179 /nfs/dbraw/zinc/50/01/79/1446500179.db2.gz YHWWOBOMNQBVPX-IAOVAPTHSA-N -1 1 348.366 2.915 20 5 EFBDMM Cc1ccc(CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C2CC2)o1 ZINC000737341435 1446576740 /nfs/dbraw/zinc/57/67/40/1446576740.db2.gz KUEOLECAXZMBFC-UHFFFAOYSA-N -1 1 340.343 2.845 20 5 EFBDMM Cc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc([N+](=O)[O-])cc1 ZINC000826255055 1446597867 /nfs/dbraw/zinc/59/78/67/1446597867.db2.gz JULLCQHCFUGMMC-UHFFFAOYSA-N -1 1 341.327 2.541 20 5 EFBDMM C[C@@H](OC(=O)c1csc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736162253 1447054126 /nfs/dbraw/zinc/05/41/26/1447054126.db2.gz BWZDEFIUAUFVLS-MRVPVSSYSA-N -1 1 345.340 2.754 20 5 EFBDMM CC(C)C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000824243230 1447156967 /nfs/dbraw/zinc/15/69/67/1447156967.db2.gz FGRAJQBTRKFBFX-DGCLKSJQSA-N -1 1 346.391 2.781 20 5 EFBDMM Cc1cc2c(cc1[N+](=O)[O-])N(Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000826273012 1447258992 /nfs/dbraw/zinc/25/89/92/1447258992.db2.gz LWRUPTGQXYWQEY-UHFFFAOYSA-N -1 1 336.355 2.646 20 5 EFBDMM Cc1csc([C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000737455167 1449274614 /nfs/dbraw/zinc/27/46/14/1449274614.db2.gz MWAKRMIPJWHGJV-QMMMGPOBSA-N -1 1 331.361 2.713 20 5 EFBDMM Cc1nc(C)c(CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)s1 ZINC000737474198 1449910458 /nfs/dbraw/zinc/91/04/58/1449910458.db2.gz OXOCYRYEGIXIPH-UHFFFAOYSA-N -1 1 345.388 2.503 20 5 EFBDMM COc1cc(-c2nnn[n-]2)ccc1OCc1ccc([N+](=O)[O-])cc1F ZINC000821702501 1449925937 /nfs/dbraw/zinc/92/59/37/1449925937.db2.gz VXGNXFBTOQQDPG-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM COc1cc(-c2nnn[n-]2)ccc1O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000737023104 1449995372 /nfs/dbraw/zinc/99/53/72/1449995372.db2.gz ARGIYVQQORZQJH-SNVBAGLBSA-N -1 1 341.327 2.924 20 5 EFBDMM CN1CCCc2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000074838781 712956837 /nfs/dbraw/zinc/95/68/37/712956837.db2.gz WIYZORZVDGAKII-UHFFFAOYSA-N -1 1 347.396 2.778 20 5 EFBDMM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc(F)c1F ZINC000120218335 713011971 /nfs/dbraw/zinc/01/19/71/713011971.db2.gz HZHBCFCCBTZBSK-ZETCQYMHSA-N -1 1 348.352 2.974 20 5 EFBDMM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1cnc(C(C)C)[n-]1 ZINC000134213984 714182705 /nfs/dbraw/zinc/18/27/05/714182705.db2.gz JNVXPEWBFOHJRQ-UHFFFAOYSA-N -1 1 325.346 2.517 20 5 EFBDMM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1c[n-]c(C(C)C)n1 ZINC000134213984 714182707 /nfs/dbraw/zinc/18/27/07/714182707.db2.gz JNVXPEWBFOHJRQ-UHFFFAOYSA-N -1 1 325.346 2.517 20 5 EFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cccnc1Cl ZINC000157108239 714515741 /nfs/dbraw/zinc/51/57/41/714515741.db2.gz RZGQFZZUZLVFQJ-UHFFFAOYSA-N -1 1 331.712 2.583 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000061195924 715849020 /nfs/dbraw/zinc/84/90/20/715849020.db2.gz OZOUYQQJQWHHEL-UHFFFAOYSA-N -1 1 335.247 2.903 20 5 EFBDMM COc1cccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1 ZINC000154231685 727749138 /nfs/dbraw/zinc/74/91/38/727749138.db2.gz NTWXGJYRFAFJKJ-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c([O-])cccc1Cl ZINC000920457491 729184705 /nfs/dbraw/zinc/18/47/05/729184705.db2.gz GRTXCBHKEZNAFV-UHFFFAOYSA-N -1 1 336.731 2.892 20 5 EFBDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000920972373 729249699 /nfs/dbraw/zinc/24/96/99/729249699.db2.gz FMUSBLSTUYQLKO-UHFFFAOYSA-N -1 1 335.629 2.637 20 5 EFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CC12CCCCC2 ZINC000180000734 729668837 /nfs/dbraw/zinc/66/88/37/729668837.db2.gz ZLJKTAOTHSSYSU-GFCCVEGCSA-N -1 1 328.365 2.735 20 5 EFBDMM O=C([O-])CCc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC001602043929 971129540 /nfs/dbraw/zinc/12/95/40/971129540.db2.gz XWOUDYMXQAETBX-UHFFFAOYSA-N -1 1 330.296 2.570 20 5 EFBDMM O=[N+]([O-])c1ccc(OCc2ccnc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000826499397 948415281 /nfs/dbraw/zinc/41/52/81/948415281.db2.gz HIEWJFJFLGXMBI-UHFFFAOYSA-N -1 1 348.322 2.902 20 5 EFBDMM O=[N+]([O-])c1ccc(OCc2ccnc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000826499397 948415285 /nfs/dbraw/zinc/41/52/85/948415285.db2.gz HIEWJFJFLGXMBI-UHFFFAOYSA-N -1 1 348.322 2.902 20 5 EFBDMM O=C([O-])[C@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1Br ZINC000236440504 949905096 /nfs/dbraw/zinc/90/50/96/949905096.db2.gz FIKDZCQRQQYBDA-LLVKDONJSA-N -1 1 343.177 2.796 20 5 EFBDMM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC001589280294 953495089 /nfs/dbraw/zinc/49/50/89/953495089.db2.gz CIBBAIWLUQYALD-WCQYABFASA-N -1 1 345.355 2.792 20 5 EFBDMM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1cccc([N+](=O)[O-])c1Br ZINC000235639078 960471099 /nfs/dbraw/zinc/47/10/99/960471099.db2.gz OWTHVYFQUKDKQA-WCBMZHEXSA-N -1 1 343.177 2.652 20 5 EFBDMM COc1cc(CN[C@@](C)(C(=O)[O-])c2ccccc2)c([N+](=O)[O-])cc1F ZINC001574184515 962821564 /nfs/dbraw/zinc/82/15/64/962821564.db2.gz CHUUSPYKIDWXLG-QGZVFWFLSA-N -1 1 348.330 2.832 20 5 EFBDMM C[C@](CC(=O)[O-])([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC001592329097 977753098 /nfs/dbraw/zinc/75/30/98/977753098.db2.gz RALWXTJVFWBHMA-QGZVFWFLSA-N -1 1 348.330 2.919 20 5 EFBDMM COc1cccc([C@H](NCc2cc([N+](=O)[O-])ccc2OC)C(=O)[O-])c1 ZINC001599687992 991019556 /nfs/dbraw/zinc/01/95/56/991019556.db2.gz KAYSSDOWHRAPMP-INIZCTEOSA-N -1 1 346.339 2.528 20 5 EFBDMM COc1ccccc1CN[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001599712472 991395102 /nfs/dbraw/zinc/39/51/02/991395102.db2.gz GCYJTWQMBYDNQD-KRWDZBQOSA-N -1 1 330.340 2.693 20 5 EFBDMM COc1ccccc1CN[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001599712474 991395232 /nfs/dbraw/zinc/39/52/32/991395232.db2.gz GCYJTWQMBYDNQD-QGZVFWFLSA-N -1 1 330.340 2.693 20 5 EFBDMM CN(Cc1ccccc1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001598530017 992768274 /nfs/dbraw/zinc/76/82/74/992768274.db2.gz VXDIUBQMBNGVGK-UHFFFAOYSA-N -1 1 330.340 2.690 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1CN[C@@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC001599622589 994104458 /nfs/dbraw/zinc/10/44/58/994104458.db2.gz UXBDAQKEPWYTLT-QGZVFWFLSA-N -1 1 348.330 2.832 20 5 EFBDMM C[C@H](N[C@@H]1CCCn2nc(C(=O)[O-])cc21)c1cccc([N+](=O)[O-])c1 ZINC001593220898 994317816 /nfs/dbraw/zinc/31/78/16/994317816.db2.gz WHOPWIILEKUBMD-GXFFZTMASA-N -1 1 330.344 2.675 20 5 EFBDMM C[C@](NCc1ccc(O)c(F)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593299160 994721632 /nfs/dbraw/zinc/72/16/32/994721632.db2.gz QYWZALSAIZSJAY-MRXNPFEDSA-N -1 1 334.303 2.529 20 5 EFBDMM CCN(Cc1cccs1)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001578178481 1090293285 /nfs/dbraw/zinc/29/32/85/1090293285.db2.gz BWFHRHXCWXPQNB-UHFFFAOYSA-N -1 1 336.402 2.924 20 5 EFBDMM CCN(Cc1cccs1)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001578178481 1090293288 /nfs/dbraw/zinc/29/32/88/1090293288.db2.gz BWFHRHXCWXPQNB-UHFFFAOYSA-N -1 1 336.402 2.924 20 5 EFBDMM COc1cc(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1F ZINC001579935703 1090727019 /nfs/dbraw/zinc/72/70/19/1090727019.db2.gz BNBQNOCFHDFDKF-UHFFFAOYSA-N -1 1 330.279 2.666 20 5 EFBDMM COc1cc(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1F ZINC001579935703 1090727021 /nfs/dbraw/zinc/72/70/21/1090727021.db2.gz BNBQNOCFHDFDKF-UHFFFAOYSA-N -1 1 330.279 2.666 20 5 EFBDMM COc1cccc(F)c1CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001580069612 1090762264 /nfs/dbraw/zinc/76/22/64/1090762264.db2.gz OIJQSHFONRTGME-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM COc1cccc(F)c1CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001580069612 1090762275 /nfs/dbraw/zinc/76/22/75/1090762275.db2.gz OIJQSHFONRTGME-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM C[C@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1cccc(O)c1 ZINC001580441255 1090900569 /nfs/dbraw/zinc/90/05/69/1090900569.db2.gz LULQLWBDUQXZED-ZETCQYMHSA-N -1 1 332.345 2.715 20 5 EFBDMM C[C@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1cccc(O)c1 ZINC001580441255 1090900572 /nfs/dbraw/zinc/90/05/72/1090900572.db2.gz LULQLWBDUQXZED-ZETCQYMHSA-N -1 1 332.345 2.715 20 5 EFBDMM Cc1cccnc1[C@H](C)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001581264447 1091109057 /nfs/dbraw/zinc/10/90/57/1091109057.db2.gz AQINXDYDMISCPK-QMMMGPOBSA-N -1 1 331.361 2.713 20 5 EFBDMM Cc1cccnc1[C@H](C)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001581264447 1091109061 /nfs/dbraw/zinc/10/90/61/1091109061.db2.gz AQINXDYDMISCPK-QMMMGPOBSA-N -1 1 331.361 2.713 20 5 EFBDMM O=[N+]([O-])c1cc(OCc2ccc(-c3nn[n-]n3)s2)c(F)cc1F ZINC001582803299 1091668296 /nfs/dbraw/zinc/66/82/96/1091668296.db2.gz BFXWZBHAGQNQIU-UHFFFAOYSA-N -1 1 339.283 2.694 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCCC[C@@H]1C1CCC1 ZINC001582804816 1091670360 /nfs/dbraw/zinc/67/03/60/1091670360.db2.gz NCSWAOAMGZEQJB-SNVBAGLBSA-N -1 1 334.405 2.995 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCCC[C@@H]1C1CCC1 ZINC001582804816 1091670365 /nfs/dbraw/zinc/67/03/65/1091670365.db2.gz NCSWAOAMGZEQJB-SNVBAGLBSA-N -1 1 334.405 2.995 20 5 EFBDMM CC(=O)c1ccc(NCc2ccc(-c3nn[n-]n3)s2)c([N+](=O)[O-])c1 ZINC001588915904 1093011050 /nfs/dbraw/zinc/01/10/50/1093011050.db2.gz WNODJGZQZHKYQC-UHFFFAOYSA-N -1 1 344.356 2.651 20 5 EFBDMM CC(C)(CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])C1(O)CCCC1 ZINC001589293295 1093067586 /nfs/dbraw/zinc/06/75/86/1093067586.db2.gz UBWCDTXNKUEKEJ-UHFFFAOYSA-N -1 1 346.391 2.518 20 5 EFBDMM CC(C)(CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])C1(O)CCCC1 ZINC001589293295 1093067593 /nfs/dbraw/zinc/06/75/93/1093067593.db2.gz UBWCDTXNKUEKEJ-UHFFFAOYSA-N -1 1 346.391 2.518 20 5 EFBDMM CC(C)C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCO1 ZINC001589571225 1093107931 /nfs/dbraw/zinc/10/79/31/1093107931.db2.gz GZYNXTCZSGHYQM-CHWSQXEVSA-N -1 1 346.391 2.781 20 5 EFBDMM CC(C)CCn1ccc(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC001589614007 1093116598 /nfs/dbraw/zinc/11/65/98/1093116598.db2.gz NFOCQIKHFPIWNG-UHFFFAOYSA-N -1 1 342.363 2.761 20 5 EFBDMM CC(C)CCn1ccc(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC001589614007 1093116617 /nfs/dbraw/zinc/11/66/17/1093116617.db2.gz NFOCQIKHFPIWNG-UHFFFAOYSA-N -1 1 342.363 2.761 20 5 EFBDMM CC(C)OC1(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCC1 ZINC001589736732 1093129810 /nfs/dbraw/zinc/12/98/10/1093129810.db2.gz CHWZZMRXEAZFPI-UHFFFAOYSA-N -1 1 332.364 2.535 20 5 EFBDMM CC(C)OC1(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCC1 ZINC001589736732 1093129815 /nfs/dbraw/zinc/12/98/15/1093129815.db2.gz CHWZZMRXEAZFPI-UHFFFAOYSA-N -1 1 332.364 2.535 20 5 EFBDMM C[C@@H](CCc1cccn1C)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589836312 1093158454 /nfs/dbraw/zinc/15/84/54/1093158454.db2.gz MBDRPVFYMHSABD-NSHDSACASA-N -1 1 341.375 2.547 20 5 EFBDMM C[C@@H](CCc1cccn1C)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589836312 1093158455 /nfs/dbraw/zinc/15/84/55/1093158455.db2.gz MBDRPVFYMHSABD-NSHDSACASA-N -1 1 341.375 2.547 20 5 EFBDMM C[C@@H](CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)Oc1ccccc1 ZINC001589876761 1093162161 /nfs/dbraw/zinc/16/21/61/1093162161.db2.gz PTYDENVATTZGSK-NSHDSACASA-N -1 1 340.343 2.654 20 5 EFBDMM CC(C)(CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])C(C)(F)F ZINC001589906600 1093177061 /nfs/dbraw/zinc/17/70/61/1093177061.db2.gz QNYVGQCCGNGEBU-UHFFFAOYSA-N -1 1 326.307 2.868 20 5 EFBDMM CC(C)(CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])C(C)(F)F ZINC001589906600 1093177064 /nfs/dbraw/zinc/17/70/64/1093177064.db2.gz QNYVGQCCGNGEBU-UHFFFAOYSA-N -1 1 326.307 2.868 20 5 EFBDMM CC(C)n1cc([C@H](C)Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cn1 ZINC001589979896 1093206806 /nfs/dbraw/zinc/20/68/06/1093206806.db2.gz BQOXIXYSVNEWHY-QMMMGPOBSA-N -1 1 348.392 2.787 20 5 EFBDMM CC(C)n1cc([C@H](C)Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cn1 ZINC001589979896 1093206815 /nfs/dbraw/zinc/20/68/15/1093206815.db2.gz BQOXIXYSVNEWHY-QMMMGPOBSA-N -1 1 348.392 2.787 20 5 EFBDMM CC(C)n1cc([C@@H](C)Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cn1 ZINC001589979895 1093206958 /nfs/dbraw/zinc/20/69/58/1093206958.db2.gz BQOXIXYSVNEWHY-MRVPVSSYSA-N -1 1 348.392 2.787 20 5 EFBDMM CC(C)n1cc([C@@H](C)Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cn1 ZINC001589979895 1093206965 /nfs/dbraw/zinc/20/69/65/1093206965.db2.gz BQOXIXYSVNEWHY-MRVPVSSYSA-N -1 1 348.392 2.787 20 5 EFBDMM C[C@@H](O)c1ccc(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cc1 ZINC001590003089 1093215573 /nfs/dbraw/zinc/21/55/73/1093215573.db2.gz LLNDJMOGCMCNHJ-MRVPVSSYSA-N -1 1 346.372 2.502 20 5 EFBDMM C[C@@H](O)c1ccc(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cc1 ZINC001590003089 1093215581 /nfs/dbraw/zinc/21/55/81/1093215581.db2.gz LLNDJMOGCMCNHJ-MRVPVSSYSA-N -1 1 346.372 2.502 20 5 EFBDMM CC1(C)CCC[C@H](CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])O1 ZINC001590094326 1093263355 /nfs/dbraw/zinc/26/33/55/1093263355.db2.gz QXLYPNWRTRPLDK-MRVPVSSYSA-N -1 1 338.393 2.596 20 5 EFBDMM CC1(C)CCC[C@H](CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])O1 ZINC001590094326 1093263362 /nfs/dbraw/zinc/26/33/62/1093263362.db2.gz QXLYPNWRTRPLDK-MRVPVSSYSA-N -1 1 338.393 2.596 20 5 EFBDMM CC1(C2CC2)CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001590121707 1093275567 /nfs/dbraw/zinc/27/55/67/1093275567.db2.gz BMAKWOTUICMPRL-UHFFFAOYSA-N -1 1 334.405 2.853 20 5 EFBDMM CC1(C2CC2)CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001590121707 1093275572 /nfs/dbraw/zinc/27/55/72/1093275572.db2.gz BMAKWOTUICMPRL-UHFFFAOYSA-N -1 1 334.405 2.853 20 5 EFBDMM C[C@@]1(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1(Cl)Cl ZINC001590135522 1093282477 /nfs/dbraw/zinc/28/24/77/1093282477.db2.gz LEFDIVSKUFRKSV-NSHDSACASA-N -1 1 343.174 2.771 20 5 EFBDMM C[C@@]1(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1(Cl)Cl ZINC001590135522 1093282480 /nfs/dbraw/zinc/28/24/80/1093282480.db2.gz LEFDIVSKUFRKSV-NSHDSACASA-N -1 1 343.174 2.771 20 5 EFBDMM C[C@@H]1CC(CCNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC001590191209 1093301075 /nfs/dbraw/zinc/30/10/75/1093301075.db2.gz VHSXVWGUCOEBFP-GHMZBOCLSA-N -1 1 346.391 2.781 20 5 EFBDMM C[C@@H]1CC(CCNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC001590191209 1093301080 /nfs/dbraw/zinc/30/10/80/1093301080.db2.gz VHSXVWGUCOEBFP-GHMZBOCLSA-N -1 1 346.391 2.781 20 5 EFBDMM C[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC12CCC2 ZINC001590274640 1093356391 /nfs/dbraw/zinc/35/63/91/1093356391.db2.gz NRUMLDXTGOCZJC-NSHDSACASA-N -1 1 328.376 2.791 20 5 EFBDMM C[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC12CCC2 ZINC001590274640 1093356400 /nfs/dbraw/zinc/35/64/00/1093356400.db2.gz NRUMLDXTGOCZJC-NSHDSACASA-N -1 1 328.376 2.791 20 5 EFBDMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC001590312556 1093368909 /nfs/dbraw/zinc/36/89/09/1093368909.db2.gz JMSXSBQFDRZCMG-UTLUCORTSA-N -1 1 334.405 2.851 20 5 EFBDMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC001590312556 1093368916 /nfs/dbraw/zinc/36/89/16/1093368916.db2.gz JMSXSBQFDRZCMG-UTLUCORTSA-N -1 1 334.405 2.851 20 5 EFBDMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H](C)C1(F)F ZINC001590316716 1093371875 /nfs/dbraw/zinc/37/18/75/1093371875.db2.gz UOCHAZKMNJHTMM-RKDXNWHRSA-N -1 1 338.318 2.502 20 5 EFBDMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H](C)C1(F)F ZINC001590316716 1093371880 /nfs/dbraw/zinc/37/18/80/1093371880.db2.gz UOCHAZKMNJHTMM-RKDXNWHRSA-N -1 1 338.318 2.502 20 5 EFBDMM C[C@@H]1Cc2ccccc2N1c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590330402 1093378645 /nfs/dbraw/zinc/37/86/45/1093378645.db2.gz CCCIHWGAXKGJKE-MRVPVSSYSA-N -1 1 328.357 2.919 20 5 EFBDMM C[C@@H]1Cc2ccccc2N1c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590330402 1093378648 /nfs/dbraw/zinc/37/86/48/1093378648.db2.gz CCCIHWGAXKGJKE-MRVPVSSYSA-N -1 1 328.357 2.919 20 5 EFBDMM CC[C@@H](CSC)N(C)c1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590447371 1093424654 /nfs/dbraw/zinc/42/46/54/1093424654.db2.gz NQMPYCIAEZNWOR-JTQLQIEISA-N -1 1 336.421 2.661 20 5 EFBDMM CC[C@@H](CSC)N(C)c1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590447371 1093424656 /nfs/dbraw/zinc/42/46/56/1093424656.db2.gz NQMPYCIAEZNWOR-JTQLQIEISA-N -1 1 336.421 2.661 20 5 EFBDMM CC[C@@H](Nc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)[C@H]1CCCCO1 ZINC001590471295 1093443941 /nfs/dbraw/zinc/44/39/41/1093443941.db2.gz BFEUCHGOBUEFLR-ZIAGYGMSSA-N -1 1 346.391 2.843 20 5 EFBDMM CC[C@@H](Nc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)[C@H]1CCCCO1 ZINC001590471295 1093443945 /nfs/dbraw/zinc/44/39/45/1093443945.db2.gz BFEUCHGOBUEFLR-ZIAGYGMSSA-N -1 1 346.391 2.843 20 5 EFBDMM CCC1(O)CCC(Nc2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001590500504 1093456761 /nfs/dbraw/zinc/45/67/61/1093456761.db2.gz NJYRCECXPFJAFG-UHFFFAOYSA-N -1 1 346.391 2.579 20 5 EFBDMM CCC1(O)CCC(Nc2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001590500504 1093456765 /nfs/dbraw/zinc/45/67/65/1093456765.db2.gz NJYRCECXPFJAFG-UHFFFAOYSA-N -1 1 346.391 2.579 20 5 EFBDMM CC[C@@H]1CCC[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001590507429 1093462774 /nfs/dbraw/zinc/46/27/74/1093462774.db2.gz DQTYSPMJQAZPQK-ZJUUUORDSA-N -1 1 331.380 2.738 20 5 EFBDMM CC[C@@H]1CCC[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001590507429 1093462776 /nfs/dbraw/zinc/46/27/76/1093462776.db2.gz DQTYSPMJQAZPQK-ZJUUUORDSA-N -1 1 331.380 2.738 20 5 EFBDMM CC[C@H]1CCC[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001590507424 1093463715 /nfs/dbraw/zinc/46/37/15/1093463715.db2.gz DQTYSPMJQAZPQK-UWVGGRQHSA-N -1 1 331.380 2.738 20 5 EFBDMM CC[C@H]1CCC[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001590507424 1093463718 /nfs/dbraw/zinc/46/37/18/1093463718.db2.gz DQTYSPMJQAZPQK-UWVGGRQHSA-N -1 1 331.380 2.738 20 5 EFBDMM CC[C@H]1CCC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001590507426 1093463745 /nfs/dbraw/zinc/46/37/45/1093463745.db2.gz DQTYSPMJQAZPQK-VHSXEESVSA-N -1 1 331.380 2.738 20 5 EFBDMM CC[C@H]1CCC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001590507426 1093463748 /nfs/dbraw/zinc/46/37/48/1093463748.db2.gz DQTYSPMJQAZPQK-VHSXEESVSA-N -1 1 331.380 2.738 20 5 EFBDMM CCO[C@H](CCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])C(C)C ZINC001590783687 1093566305 /nfs/dbraw/zinc/56/63/05/1093566305.db2.gz FCUDLAVNBUFBJH-SNVBAGLBSA-N -1 1 340.409 2.700 20 5 EFBDMM CCO[C@H](CCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])C(C)C ZINC001590783687 1093566308 /nfs/dbraw/zinc/56/63/08/1093566308.db2.gz FCUDLAVNBUFBJH-SNVBAGLBSA-N -1 1 340.409 2.700 20 5 EFBDMM CCOC1(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCCC1 ZINC001590784141 1093569037 /nfs/dbraw/zinc/56/90/37/1093569037.db2.gz MQSAMHWDKIFOOV-UHFFFAOYSA-N -1 1 338.393 2.598 20 5 EFBDMM CCOC1(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCCC1 ZINC001590784141 1093569048 /nfs/dbraw/zinc/56/90/48/1093569048.db2.gz MQSAMHWDKIFOOV-UHFFFAOYSA-N -1 1 338.393 2.598 20 5 EFBDMM CCOCC(C)(C)CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590800005 1093575518 /nfs/dbraw/zinc/57/55/18/1093575518.db2.gz YNDPZMMLGVCHJA-UHFFFAOYSA-N -1 1 334.380 2.558 20 5 EFBDMM CCOCC(C)(C)CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590800005 1093575523 /nfs/dbraw/zinc/57/55/23/1093575523.db2.gz YNDPZMMLGVCHJA-UHFFFAOYSA-N -1 1 334.380 2.558 20 5 EFBDMM CCOC[C@@H](Nc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)C(C)C ZINC001590800851 1093575779 /nfs/dbraw/zinc/57/57/79/1093575779.db2.gz XVJOEBQFQYMUIQ-CYBMUJFWSA-N -1 1 334.380 2.556 20 5 EFBDMM CCOC[C@@H](Nc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)C(C)C ZINC001590800851 1093575785 /nfs/dbraw/zinc/57/57/85/1093575785.db2.gz XVJOEBQFQYMUIQ-CYBMUJFWSA-N -1 1 334.380 2.556 20 5 EFBDMM CCOc1ccc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC001590836224 1093590681 /nfs/dbraw/zinc/59/06/81/1093590681.db2.gz PJRWPVFZEQYEMM-UHFFFAOYSA-N -1 1 340.343 2.786 20 5 EFBDMM CCc1nc([C@H](C)Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cs1 ZINC001590910957 1093629842 /nfs/dbraw/zinc/62/98/42/1093629842.db2.gz SFRUTPDAXGHZGW-QMMMGPOBSA-N -1 1 345.388 2.967 20 5 EFBDMM CCc1nc([C@H](C)Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cs1 ZINC001590910957 1093629848 /nfs/dbraw/zinc/62/98/48/1093629848.db2.gz SFRUTPDAXGHZGW-QMMMGPOBSA-N -1 1 345.388 2.967 20 5 EFBDMM CO[C@H](CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001591328899 1093694112 /nfs/dbraw/zinc/69/41/12/1093694112.db2.gz MDGRBUPIBJVGRL-CQSZACIVSA-N -1 1 346.391 2.700 20 5 EFBDMM CO[C@H](CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001591328899 1093694114 /nfs/dbraw/zinc/69/41/14/1093694114.db2.gz MDGRBUPIBJVGRL-CQSZACIVSA-N -1 1 346.391 2.700 20 5 EFBDMM COc1ccccc1Sc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591654529 1093819657 /nfs/dbraw/zinc/81/96/57/1093819657.db2.gz QSWUWOQKGWEBSR-UHFFFAOYSA-N -1 1 335.370 2.996 20 5 EFBDMM COc1ccccc1Sc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591654529 1093819660 /nfs/dbraw/zinc/81/96/60/1093819660.db2.gz QSWUWOQKGWEBSR-UHFFFAOYSA-N -1 1 335.370 2.996 20 5 EFBDMM CS[C@H]1CCCCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001591690631 1093827429 /nfs/dbraw/zinc/82/74/29/1093827429.db2.gz POHLQPRNSOAFRJ-QMMMGPOBSA-N -1 1 340.434 2.558 20 5 EFBDMM CS[C@H]1CCCCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001591690631 1093827436 /nfs/dbraw/zinc/82/74/36/1093827436.db2.gz POHLQPRNSOAFRJ-QMMMGPOBSA-N -1 1 340.434 2.558 20 5 EFBDMM CSCC1(CCNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001591697411 1093828386 /nfs/dbraw/zinc/82/83/86/1093828386.db2.gz IIWFZAKISMMXMV-UHFFFAOYSA-N -1 1 340.434 2.782 20 5 EFBDMM CSCC1(CCNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001591697411 1093828395 /nfs/dbraw/zinc/82/83/95/1093828395.db2.gz IIWFZAKISMMXMV-UHFFFAOYSA-N -1 1 340.434 2.782 20 5 EFBDMM Cc1cc(N[C@@H](C)CC(F)(F)F)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592033372 1093962999 /nfs/dbraw/zinc/96/29/99/1093962999.db2.gz GWHMRWPOIJENPK-ZETCQYMHSA-N -1 1 330.270 2.836 20 5 EFBDMM Cc1cc(N[C@@H](C)CC(F)(F)F)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592033372 1093963002 /nfs/dbraw/zinc/96/30/02/1093963002.db2.gz GWHMRWPOIJENPK-ZETCQYMHSA-N -1 1 330.270 2.836 20 5 EFBDMM Cc1cc(NCCOCCC(C)C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592051003 1093966712 /nfs/dbraw/zinc/96/67/12/1093966712.db2.gz XILXITUSEBQUIK-UHFFFAOYSA-N -1 1 334.380 2.558 20 5 EFBDMM Cc1cc(NCCOCCC(C)C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592051003 1093966715 /nfs/dbraw/zinc/96/67/15/1093966715.db2.gz XILXITUSEBQUIK-UHFFFAOYSA-N -1 1 334.380 2.558 20 5 EFBDMM Cc1ccc(NCc2cc([N+](=O)[O-])ccc2Cl)nc1-c1nnn[n-]1 ZINC001592184299 1094021780 /nfs/dbraw/zinc/02/17/80/1094021780.db2.gz GBAPGABHUULZCK-UHFFFAOYSA-N -1 1 345.750 2.744 20 5 EFBDMM Cc1ccc(NCc2cc([N+](=O)[O-])ccc2Cl)nc1-c1nn[n-]n1 ZINC001592184299 1094021787 /nfs/dbraw/zinc/02/17/87/1094021787.db2.gz GBAPGABHUULZCK-UHFFFAOYSA-N -1 1 345.750 2.744 20 5 EFBDMM Cc1ccc(OCCNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cc1 ZINC001592188126 1094023270 /nfs/dbraw/zinc/02/32/70/1094023270.db2.gz LEOYPGZQCAKAIY-UHFFFAOYSA-N -1 1 346.372 2.636 20 5 EFBDMM Cc1ccc(OCCNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cc1 ZINC001592188126 1094023276 /nfs/dbraw/zinc/02/32/76/1094023276.db2.gz LEOYPGZQCAKAIY-UHFFFAOYSA-N -1 1 346.372 2.636 20 5 EFBDMM Cc1cccnc1CCCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001592263208 1094058243 /nfs/dbraw/zinc/05/82/43/1094058243.db2.gz WJLQCAXYBCQGNS-UHFFFAOYSA-N -1 1 345.388 2.585 20 5 EFBDMM Cc1cccnc1CCCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001592263208 1094058250 /nfs/dbraw/zinc/05/82/50/1094058250.db2.gz WJLQCAXYBCQGNS-UHFFFAOYSA-N -1 1 345.388 2.585 20 5 EFBDMM Cc1ccsc1CCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001592283968 1094063665 /nfs/dbraw/zinc/06/36/65/1094063665.db2.gz PXHSPYYDBQNNDJ-UHFFFAOYSA-N -1 1 330.373 2.799 20 5 EFBDMM Cc1ccncc1[C@@H](C)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592277746 1094064124 /nfs/dbraw/zinc/06/41/24/1094064124.db2.gz WWVSQYMZJNSRSD-SNVBAGLBSA-N -1 1 325.332 2.651 20 5 EFBDMM Cc1ccncc1[C@@H](C)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592277746 1094064131 /nfs/dbraw/zinc/06/41/31/1094064131.db2.gz WWVSQYMZJNSRSD-SNVBAGLBSA-N -1 1 325.332 2.651 20 5 EFBDMM Cc1cnc([C@@H](C)CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)s1 ZINC001592291205 1094066606 /nfs/dbraw/zinc/06/66/06/1094066606.db2.gz AYZAGSDGUOXUPZ-QMMMGPOBSA-N -1 1 345.388 2.755 20 5 EFBDMM Cc1cnc([C@@H](C)CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)s1 ZINC001592291205 1094066612 /nfs/dbraw/zinc/06/66/12/1094066612.db2.gz AYZAGSDGUOXUPZ-QMMMGPOBSA-N -1 1 345.388 2.755 20 5 EFBDMM Cc1csc(CCCNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)n1 ZINC001592314257 1094073956 /nfs/dbraw/zinc/07/39/56/1094073956.db2.gz JLLZRBDMFHNSBN-UHFFFAOYSA-N -1 1 345.388 2.585 20 5 EFBDMM Cc1csc(Sc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001592324074 1094076944 /nfs/dbraw/zinc/07/69/44/1094076944.db2.gz OOAKWFWJFCWQPR-UHFFFAOYSA-N -1 1 338.349 2.830 20 5 EFBDMM Cc1noc(C)c1[C@H](C)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001592456150 1094107123 /nfs/dbraw/zinc/10/71/23/1094107123.db2.gz JZDZZDAMGXEPQD-ZETCQYMHSA-N -1 1 329.320 2.553 20 5 EFBDMM Cc1noc(C)c1[C@H](C)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001592456150 1094107125 /nfs/dbraw/zinc/10/71/25/1094107125.db2.gz JZDZZDAMGXEPQD-ZETCQYMHSA-N -1 1 329.320 2.553 20 5 EFBDMM O=[N+]([O-])c1c(NC[C@H]2CCCC3(CCC3)O2)cccc1-c1nnn[n-]1 ZINC001593465051 1094308125 /nfs/dbraw/zinc/30/81/25/1094308125.db2.gz HCYVGBQRUMHLIL-LLVKDONJSA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1c(NC[C@H]2CCCC3(CCC3)O2)cccc1-c1nn[n-]n1 ZINC001593465051 1094308130 /nfs/dbraw/zinc/30/81/30/1094308130.db2.gz HCYVGBQRUMHLIL-LLVKDONJSA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc2cccnc2c1 ZINC001593465140 1094308580 /nfs/dbraw/zinc/30/85/80/1094308580.db2.gz FRSUXILJNPNTII-UHFFFAOYSA-N -1 1 335.283 2.510 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1ccc2cccnc2c1 ZINC001593465140 1094308586 /nfs/dbraw/zinc/30/85/86/1094308586.db2.gz FRSUXILJNPNTII-UHFFFAOYSA-N -1 1 335.283 2.510 20 5 EFBDMM O=[N+]([O-])c1c(Nc2cnn(C3CCCC3)c2)cccc1-c1nnn[n-]1 ZINC001593469473 1094314035 /nfs/dbraw/zinc/31/40/35/1094314035.db2.gz RWRJQFUYJPUXFZ-UHFFFAOYSA-N -1 1 340.347 2.830 20 5 EFBDMM O=[N+]([O-])c1c(Nc2cnn(C3CCCC3)c2)cccc1-c1nn[n-]n1 ZINC001593469473 1094314047 /nfs/dbraw/zinc/31/40/47/1094314047.db2.gz RWRJQFUYJPUXFZ-UHFFFAOYSA-N -1 1 340.347 2.830 20 5 EFBDMM O=[N+]([O-])c1c(Nc2ccn(-c3ccccc3)n2)cccc1-c1nnn[n-]1 ZINC001593469634 1094315948 /nfs/dbraw/zinc/31/59/48/1094315948.db2.gz YZLGJSQFQRIMHD-UHFFFAOYSA-N -1 1 348.326 2.704 20 5 EFBDMM O=[N+]([O-])c1c(Nc2ccn(-c3ccccc3)n2)cccc1-c1nn[n-]n1 ZINC001593469634 1094315954 /nfs/dbraw/zinc/31/59/54/1094315954.db2.gz YZLGJSQFQRIMHD-UHFFFAOYSA-N -1 1 348.326 2.704 20 5 EFBDMM O=[N+]([O-])c1cc(NC[C@@H]2CCC3(CCCC3)O2)ccc1-c1nn[n-]n1 ZINC001593473466 1094316714 /nfs/dbraw/zinc/31/67/14/1094316714.db2.gz DHOIFUKDIZHYDE-LBPRGKRZSA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1cc(NCc2cccc3cccnc32)ccc1-c1nn[n-]n1 ZINC001593473988 1094317275 /nfs/dbraw/zinc/31/72/75/1094317275.db2.gz MNJPNOSLONCEHH-UHFFFAOYSA-N -1 1 347.338 2.935 20 5 EFBDMM O=[N+]([O-])c1ccc(NCc2cc3ccccc3[nH]2)cc1-c1nnn[n-]1 ZINC001593478588 1094322525 /nfs/dbraw/zinc/32/25/25/1094322525.db2.gz JCYLFHFQQKIIKW-UHFFFAOYSA-N -1 1 335.327 2.868 20 5 EFBDMM O=[N+]([O-])c1ccc(NCc2cc3ccccc3[nH]2)cc1-c1nn[n-]n1 ZINC001593478588 1094322531 /nfs/dbraw/zinc/32/25/31/1094322531.db2.gz JCYLFHFQQKIIKW-UHFFFAOYSA-N -1 1 335.327 2.868 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H]2CCOC23CCCCC3)cc1-c1nnn[n-]1 ZINC001593477893 1094322571 /nfs/dbraw/zinc/32/25/71/1094322571.db2.gz ISUWKMIYMZHAQG-CQSZACIVSA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H]2CCOC23CCCCC3)cc1-c1nn[n-]n1 ZINC001593477893 1094322580 /nfs/dbraw/zinc/32/25/80/1094322580.db2.gz ISUWKMIYMZHAQG-CQSZACIVSA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1ccc(NC[C@@H]2CCCC3(CCC3)O2)cc1-c1nnn[n-]1 ZINC001593478867 1094323015 /nfs/dbraw/zinc/32/30/15/1094323015.db2.gz ZIDVRPDRWPTMKT-LBPRGKRZSA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1ccc(NC[C@@H]2CCCC3(CCC3)O2)cc1-c1nn[n-]n1 ZINC001593478867 1094323023 /nfs/dbraw/zinc/32/30/23/1094323023.db2.gz ZIDVRPDRWPTMKT-LBPRGKRZSA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CCSC3(CCC3)CC2)cc1-c1nnn[n-]1 ZINC001593478351 1094323468 /nfs/dbraw/zinc/32/34/68/1094323468.db2.gz GFGZDDRDCCUUGP-UHFFFAOYSA-N -1 1 346.416 2.641 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CCSC3(CCC3)CC2)cc1-c1nn[n-]n1 ZINC001593478351 1094323475 /nfs/dbraw/zinc/32/34/75/1094323475.db2.gz GFGZDDRDCCUUGP-UHFFFAOYSA-N -1 1 346.416 2.641 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1Nc1ccc2c(c1)CCCO2 ZINC001593487352 1094328417 /nfs/dbraw/zinc/32/84/17/1094328417.db2.gz CYNLYVGJPWJOSC-UHFFFAOYSA-N -1 1 344.356 2.905 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1Nc1ccc2c(c1)CCCO2 ZINC001593487352 1094328427 /nfs/dbraw/zinc/32/84/27/1094328427.db2.gz CYNLYVGJPWJOSC-UHFFFAOYSA-N -1 1 344.356 2.905 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCCc2ccccc2C1 ZINC001593487906 1094328559 /nfs/dbraw/zinc/32/85/59/1094328559.db2.gz NYGPJGVDBPWHAS-UHFFFAOYSA-N -1 1 342.384 2.789 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCCc2ccccc2C1 ZINC001593487906 1094328569 /nfs/dbraw/zinc/32/85/69/1094328569.db2.gz NYGPJGVDBPWHAS-UHFFFAOYSA-N -1 1 342.384 2.789 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCCC[C@H]1CCCCO1 ZINC001593487693 1094328807 /nfs/dbraw/zinc/32/88/07/1094328807.db2.gz FCAZPOBFNNPGCW-SECBINFHSA-N -1 1 338.393 2.598 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCCC[C@H]1CCCCO1 ZINC001593487693 1094328814 /nfs/dbraw/zinc/32/88/14/1094328814.db2.gz FCAZPOBFNNPGCW-SECBINFHSA-N -1 1 338.393 2.598 20 5 EFBDMM O=[N+]([O-])c1cn(CCCCc2cccc(Cl)c2)nc1-c1nn[n-]n1 ZINC001593486572 1094329056 /nfs/dbraw/zinc/32/90/56/1094329056.db2.gz APBGPRPMHCPKGR-UHFFFAOYSA-N -1 1 347.766 2.648 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC(Cc2cccs2)C1 ZINC001593488101 1094329209 /nfs/dbraw/zinc/32/92/09/1094329209.db2.gz OXHPZPYYPSOKPC-UHFFFAOYSA-N -1 1 348.413 2.577 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC(Cc2cccs2)C1 ZINC001593488101 1094329219 /nfs/dbraw/zinc/32/92/19/1094329219.db2.gz OXHPZPYYPSOKPC-UHFFFAOYSA-N -1 1 348.413 2.577 20 5 EFBDMM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001601757749 1095891806 /nfs/dbraw/zinc/89/18/06/1095891806.db2.gz ZHWPTZHOMKOGIN-HNXYLICVSA-N -1 1 326.299 2.558 20 5 EFBDMM O=C([O-])CCSc1cc(Cl)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001602031685 1096026650 /nfs/dbraw/zinc/02/66/50/1096026650.db2.gz XIWQVWJAUOPUEE-PSASIEDQSA-N -1 1 344.776 2.511 20 5 EFBDMM O=C([O-])COc1ccc(CN[C@H]2CCCc3occc32)cc1[N+](=O)[O-] ZINC001602084343 1096052505 /nfs/dbraw/zinc/05/25/05/1096052505.db2.gz YXCZNAIZOXLFLH-ZDUSSCGKSA-N -1 1 346.339 2.818 20 5 EFBDMM O=C([O-])c1cc(C(=O)Nc2nc3ccc(F)cc3[nH]2)cc([N+](=O)[O-])c1 ZINC001602248883 1096136810 /nfs/dbraw/zinc/13/68/10/1096136810.db2.gz DCCYCSIBHIPUOS-UHFFFAOYSA-N -1 1 344.258 2.561 20 5 EFBDMM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CCc2[nH]cnc2C1 ZINC001602298333 1096164837 /nfs/dbraw/zinc/16/48/37/1096164837.db2.gz AWKZANDYMNCDPJ-ZETCQYMHSA-N -1 1 336.735 2.639 20 5 EFBDMM CC(C)(C)[C@H]1C[C@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001603062755 1096428914 /nfs/dbraw/zinc/42/89/14/1096428914.db2.gz QXKACOBOGHVCHK-ZWNOBZJWSA-N -1 1 346.391 2.781 20 5 EFBDMM CC(C)(C)[C@H]1C[C@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001603062755 1096428920 /nfs/dbraw/zinc/42/89/20/1096428920.db2.gz QXKACOBOGHVCHK-ZWNOBZJWSA-N -1 1 346.391 2.781 20 5 EFBDMM CC(C)[C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCO1 ZINC001603241413 1096482193 /nfs/dbraw/zinc/48/21/93/1096482193.db2.gz RIJSETFEXGXLRJ-XHDPSFHLSA-N -1 1 346.391 2.638 20 5 EFBDMM CC(C)[C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCO1 ZINC001603241413 1096482198 /nfs/dbraw/zinc/48/21/98/1096482198.db2.gz RIJSETFEXGXLRJ-XHDPSFHLSA-N -1 1 346.391 2.638 20 5 EFBDMM C[C@@]1(CCNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@]1(F)Cl ZINC001603800451 1096631974 /nfs/dbraw/zinc/63/19/74/1096631974.db2.gz NWKMYGYRWMNKIZ-CHWSQXEVSA-N -1 1 340.746 2.892 20 5 EFBDMM C[C@@]1(CCNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@]1(F)Cl ZINC001603800451 1096631978 /nfs/dbraw/zinc/63/19/78/1096631978.db2.gz NWKMYGYRWMNKIZ-CHWSQXEVSA-N -1 1 340.746 2.892 20 5 EFBDMM CC1(CNc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCCCC1 ZINC001603807401 1096634264 /nfs/dbraw/zinc/63/42/64/1096634264.db2.gz PSAAFLPMVPEEMC-UHFFFAOYSA-N -1 1 331.380 2.739 20 5 EFBDMM CC1(CNc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCCCC1 ZINC001603807401 1096634268 /nfs/dbraw/zinc/63/42/68/1096634268.db2.gz PSAAFLPMVPEEMC-UHFFFAOYSA-N -1 1 331.380 2.739 20 5 EFBDMM C[C@]1(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCCS1 ZINC001603807545 1096634732 /nfs/dbraw/zinc/63/47/32/1096634732.db2.gz RRBMDXWMCGIQDV-LLVKDONJSA-N -1 1 326.407 2.534 20 5 EFBDMM C[C@]1(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCCS1 ZINC001603807545 1096634735 /nfs/dbraw/zinc/63/47/35/1096634735.db2.gz RRBMDXWMCGIQDV-LLVKDONJSA-N -1 1 326.407 2.534 20 5 EFBDMM C[C@@H]1CC[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC001603879084 1096654099 /nfs/dbraw/zinc/65/40/99/1096654099.db2.gz BEQGHTJICZQISW-KKFJDGPESA-N -1 1 331.380 2.594 20 5 EFBDMM C[C@@H]1CC[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC001603879084 1096654101 /nfs/dbraw/zinc/65/41/01/1096654101.db2.gz BEQGHTJICZQISW-KKFJDGPESA-N -1 1 331.380 2.594 20 5 EFBDMM C[C@H]1CCCC[C@@H]1CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603890403 1096660611 /nfs/dbraw/zinc/66/06/11/1096660611.db2.gz CCGGSAMVHSUVIM-VHSXEESVSA-N -1 1 331.380 2.595 20 5 EFBDMM C[C@H]1CCCC[C@@H]1CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603890403 1096660618 /nfs/dbraw/zinc/66/06/18/1096660618.db2.gz CCGGSAMVHSUVIM-VHSXEESVSA-N -1 1 331.380 2.595 20 5 EFBDMM CC[C@H](OC(=O)c1ccc(-c2nn[n-]n2)o1)c1cccc([N+](=O)[O-])c1 ZINC001604499696 1096880705 /nfs/dbraw/zinc/88/07/05/1096880705.db2.gz CKBXPJPEZSTTJW-NSHDSACASA-N -1 1 343.299 2.676 20 5 EFBDMM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC001604637450 1096919517 /nfs/dbraw/zinc/91/95/17/1096919517.db2.gz SOIZJLMJVHGYON-KWQFWETISA-N -1 1 343.177 2.652 20 5 EFBDMM CO[C@H](CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001605007402 1096998334 /nfs/dbraw/zinc/99/83/34/1096998334.db2.gz AIAZPRQEUYHEFC-GFCCVEGCSA-N -1 1 334.380 2.556 20 5 EFBDMM CO[C@H](CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001605007402 1096998339 /nfs/dbraw/zinc/99/83/39/1096998339.db2.gz AIAZPRQEUYHEFC-GFCCVEGCSA-N -1 1 334.380 2.556 20 5 EFBDMM COc1cc(F)cc(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001605224295 1097058694 /nfs/dbraw/zinc/05/86/94/1097058694.db2.gz MSIPIMJMIXQXGO-UHFFFAOYSA-N -1 1 330.279 2.666 20 5 EFBDMM COc1cc(F)cc(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001605224295 1097058703 /nfs/dbraw/zinc/05/87/03/1097058703.db2.gz MSIPIMJMIXQXGO-UHFFFAOYSA-N -1 1 330.279 2.666 20 5 EFBDMM COc1cc(Oc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1F ZINC001605238737 1097063827 /nfs/dbraw/zinc/06/38/27/1097063827.db2.gz MPUWQULLJZDHRB-UHFFFAOYSA-N -1 1 331.263 2.715 20 5 EFBDMM COc1cc(Oc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1F ZINC001605238737 1097063834 /nfs/dbraw/zinc/06/38/34/1097063834.db2.gz MPUWQULLJZDHRB-UHFFFAOYSA-N -1 1 331.263 2.715 20 5 EFBDMM CS[C@@H]1CCC[C@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001605370755 1097106898 /nfs/dbraw/zinc/10/68/98/1097106898.db2.gz GUSHBHNARFKDPB-JGVFFNPUSA-N -1 1 340.434 2.923 20 5 EFBDMM CS[C@@H]1CCC[C@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001605370755 1097106899 /nfs/dbraw/zinc/10/68/99/1097106899.db2.gz GUSHBHNARFKDPB-JGVFFNPUSA-N -1 1 340.434 2.923 20 5 EFBDMM CS[C@H]1CC[C@H](N(C)c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001605372929 1097108322 /nfs/dbraw/zinc/10/83/22/1097108322.db2.gz VRINLXFRHPXCMY-YUMQZZPRSA-N -1 1 340.434 2.557 20 5 EFBDMM CS[C@H]1CC[C@H](N(C)c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001605372929 1097108325 /nfs/dbraw/zinc/10/83/25/1097108325.db2.gz VRINLXFRHPXCMY-YUMQZZPRSA-N -1 1 340.434 2.557 20 5 EFBDMM CSCCCSc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605374323 1097109564 /nfs/dbraw/zinc/10/95/64/1097109564.db2.gz CHBYFAPJTUIKIA-UHFFFAOYSA-N -1 1 329.382 2.759 20 5 EFBDMM CSc1cc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)ccn1 ZINC001605382532 1097112035 /nfs/dbraw/zinc/11/20/35/1097112035.db2.gz XZTGNQUAQOFKMR-UHFFFAOYSA-N -1 1 343.372 2.504 20 5 EFBDMM CSc1cc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)ccn1 ZINC001605382532 1097112038 /nfs/dbraw/zinc/11/20/38/1097112038.db2.gz XZTGNQUAQOFKMR-UHFFFAOYSA-N -1 1 343.372 2.504 20 5 EFBDMM C[C@@H](Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC001605405126 1097119791 /nfs/dbraw/zinc/11/97/91/1097119791.db2.gz LKAKFYSWWTXWMP-MRVPVSSYSA-N -1 1 345.750 2.996 20 5 EFBDMM C[C@@H](Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC001605405126 1097119796 /nfs/dbraw/zinc/11/97/96/1097119796.db2.gz LKAKFYSWWTXWMP-MRVPVSSYSA-N -1 1 345.750 2.996 20 5 EFBDMM Cc1c(Oc2cc(-c3nnn[n-]3)nc(C3CC3)n2)cccc1[N+](=O)[O-] ZINC001605500741 1097139565 /nfs/dbraw/zinc/13/95/65/1097139565.db2.gz USXIOAIIHFMQGB-UHFFFAOYSA-N -1 1 339.315 2.543 20 5 EFBDMM Cc1c(Oc2cc(-c3nn[n-]n3)nc(C3CC3)n2)cccc1[N+](=O)[O-] ZINC001605500741 1097139567 /nfs/dbraw/zinc/13/95/67/1097139567.db2.gz USXIOAIIHFMQGB-UHFFFAOYSA-N -1 1 339.315 2.543 20 5 EFBDMM Cc1cc(N[C@H]2CC(C)(C)OC2(C)C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605722909 1097207623 /nfs/dbraw/zinc/20/76/23/1097207623.db2.gz LQIWSJFVWUMHKH-LBPRGKRZSA-N -1 1 346.391 2.841 20 5 EFBDMM Cc1cc(N[C@H]2CC(C)(C)OC2(C)C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605722909 1097207626 /nfs/dbraw/zinc/20/76/26/1097207626.db2.gz LQIWSJFVWUMHKH-LBPRGKRZSA-N -1 1 346.391 2.841 20 5 EFBDMM Cc1cc(NCC[C@H]2CCO[C@@H](C)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605731289 1097209762 /nfs/dbraw/zinc/20/97/62/1097209762.db2.gz VDNGZWHKSRTEJH-RYUDHWBXSA-N -1 1 346.391 2.700 20 5 EFBDMM Cc1cc(NCC[C@H]2CCO[C@@H](C)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605731289 1097209769 /nfs/dbraw/zinc/20/97/69/1097209769.db2.gz VDNGZWHKSRTEJH-RYUDHWBXSA-N -1 1 346.391 2.700 20 5 EFBDMM Cc1cc(NCc2cc([N+](=O)[O-])ccc2Cl)cc(-c2nnn[n-]2)n1 ZINC001605740850 1097212102 /nfs/dbraw/zinc/21/21/02/1097212102.db2.gz XNAHPFJYKPPQPR-UHFFFAOYSA-N -1 1 345.750 2.744 20 5 EFBDMM Cc1cc(NCc2cc([N+](=O)[O-])ccc2Cl)cc(-c2nn[n-]n2)n1 ZINC001605740850 1097212106 /nfs/dbraw/zinc/21/21/06/1097212106.db2.gz XNAHPFJYKPPQPR-UHFFFAOYSA-N -1 1 345.750 2.744 20 5 EFBDMM O=[N+]([O-])c1cc(NCCC[C@H]2CCCC[C@H]2O)ccc1-c1nn[n-]n1 ZINC001607078861 1097506247 /nfs/dbraw/zinc/50/62/47/1097506247.db2.gz ATPAMXIVMXBNPU-IAQYHMDHSA-N -1 1 346.391 2.518 20 5 EFBDMM O=[N+]([O-])c1cc(F)ccc1CSc1cccnc1-c1nnn[n-]1 ZINC001607078774 1097506564 /nfs/dbraw/zinc/50/65/64/1097506564.db2.gz LLNHDPFTVMIXIF-UHFFFAOYSA-N -1 1 332.320 2.601 20 5 EFBDMM O=[N+]([O-])c1cc(F)ccc1CSc1cccnc1-c1nn[n-]n1 ZINC001607078774 1097506568 /nfs/dbraw/zinc/50/65/68/1097506568.db2.gz LLNHDPFTVMIXIF-UHFFFAOYSA-N -1 1 332.320 2.601 20 5 EFBDMM O=[N+]([O-])c1c(N[C@@H]2CCc3ccc(O)cc32)cccc1-c1nnn[n-]1 ZINC001607077836 1097506741 /nfs/dbraw/zinc/50/67/41/1097506741.db2.gz GIFZRYFDFYNIPB-CYBMUJFWSA-N -1 1 338.327 2.580 20 5 EFBDMM O=[N+]([O-])c1c(N[C@@H]2CCc3ccc(O)cc32)cccc1-c1nn[n-]n1 ZINC001607077836 1097506744 /nfs/dbraw/zinc/50/67/44/1097506744.db2.gz GIFZRYFDFYNIPB-CYBMUJFWSA-N -1 1 338.327 2.580 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCc2cccc(F)c2F)cc1-c1nnn[n-]1 ZINC001607082579 1097508001 /nfs/dbraw/zinc/50/80/01/1097508001.db2.gz QTZNRTIDBUBBFK-UHFFFAOYSA-N -1 1 346.297 2.708 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCc2cccc(F)c2F)cc1-c1nn[n-]n1 ZINC001607082579 1097508006 /nfs/dbraw/zinc/50/80/06/1097508006.db2.gz QTZNRTIDBUBBFK-UHFFFAOYSA-N -1 1 346.297 2.708 20 5 EFBDMM COc1cc([N+](=O)[O-])ccc1CN[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001607192024 1097556687 /nfs/dbraw/zinc/55/66/87/1097556687.db2.gz VDCIKSRJJAVIAI-MRXNPFEDSA-N -1 1 348.330 2.966 20 5 EFBDMM COc1ccc([C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])cc1O ZINC001607235212 1097569826 /nfs/dbraw/zinc/56/98/26/1097569826.db2.gz SXGYNBIWZDXYDY-MRXNPFEDSA-N -1 1 346.339 2.533 20 5 EFBDMM Cc1c(CN[C@@](C)(CC(=O)[O-])c2cccnc2)cccc1[N+](=O)[O-] ZINC001607528550 1097652611 /nfs/dbraw/zinc/65/26/11/1097652611.db2.gz OEINIQZTRBNZGY-KRWDZBQOSA-N -1 1 329.356 2.778 20 5 EFBDMM Cc1ccc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cc1[N+](=O)[O-] ZINC001607734942 1097713779 /nfs/dbraw/zinc/71/37/79/1097713779.db2.gz YGVLRCKZWYOCIG-UHFFFAOYSA-N -1 1 340.295 2.730 20 5 EFBDMM O=C([O-])c1cccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3F)[nH]c21 ZINC001608524135 1097940665 /nfs/dbraw/zinc/94/06/65/1097940665.db2.gz GDHIBZNZFDZUQO-UHFFFAOYSA-N -1 1 344.258 2.561 20 5 EFBDMM CC(C)[C@H]1C[C@@H](CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCO1 ZINC001609092054 1098139567 /nfs/dbraw/zinc/13/95/67/1098139567.db2.gz YTSPBVHBNPRDOJ-XHDPSFHLSA-N -1 1 346.391 2.638 20 5 EFBDMM C[C@H](CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])CC(F)(F)F ZINC001609113715 1098152383 /nfs/dbraw/zinc/15/23/83/1098152383.db2.gz DIIOKPJCOVQWRR-ZETCQYMHSA-N -1 1 330.270 2.775 20 5 EFBDMM C[C@H](CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])CC(F)(F)F ZINC001609113715 1098152384 /nfs/dbraw/zinc/15/23/84/1098152384.db2.gz DIIOKPJCOVQWRR-ZETCQYMHSA-N -1 1 330.270 2.775 20 5 EFBDMM C[C@@H]1CCC[C@H](CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])[C@@H]1C ZINC001609162852 1098176834 /nfs/dbraw/zinc/17/68/34/1098176834.db2.gz LNOAMCTWVQWOHT-GMTAPVOTSA-N -1 1 331.380 2.654 20 5 EFBDMM C[C@@H]1CCC[C@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])[C@@H]1C ZINC001609162852 1098176837 /nfs/dbraw/zinc/17/68/37/1098176837.db2.gz LNOAMCTWVQWOHT-GMTAPVOTSA-N -1 1 331.380 2.654 20 5 EFBDMM C[C@@H]1CCCC[C@@H]1OCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609165861 1098179548 /nfs/dbraw/zinc/17/95/48/1098179548.db2.gz ZEMNMQLUWRBJJO-ABAIWWIYSA-N -1 1 346.391 2.782 20 5 EFBDMM C[C@@H]1CCCC[C@@H]1OCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609165861 1098179552 /nfs/dbraw/zinc/17/95/52/1098179552.db2.gz ZEMNMQLUWRBJJO-ABAIWWIYSA-N -1 1 346.391 2.782 20 5 EFBDMM C[C@H]1Oc2ccccc2[C@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609179521 1098184415 /nfs/dbraw/zinc/18/44/15/1098184415.db2.gz SXDAHBJISGMMGV-PSLIRLAXSA-N -1 1 338.327 2.709 20 5 EFBDMM C[C@H]1c2ccsc2CCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609180231 1098184990 /nfs/dbraw/zinc/18/49/90/1098184990.db2.gz IGPBLIGHOSPJAT-VIFPVBQESA-N -1 1 342.384 2.960 20 5 EFBDMM CC[C@H](C)n1nc(Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1C ZINC001609187365 1098187030 /nfs/dbraw/zinc/18/70/30/1098187030.db2.gz BQCRHOAWLKSUSL-VIFPVBQESA-N -1 1 342.363 2.994 20 5 EFBDMM CC[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])CC(F)(F)F ZINC001609191254 1098191313 /nfs/dbraw/zinc/19/13/13/1098191313.db2.gz OJODPNFSCDEUDN-SSDOTTSWSA-N -1 1 345.285 2.560 20 5 EFBDMM CC[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])CC(F)(F)F ZINC001609191254 1098191317 /nfs/dbraw/zinc/19/13/17/1098191317.db2.gz OJODPNFSCDEUDN-SSDOTTSWSA-N -1 1 345.285 2.560 20 5 EFBDMM CCOc1cc(Oc2snc(C)c2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609242901 1098217169 /nfs/dbraw/zinc/21/71/69/1098217169.db2.gz PPZJEQUAIJAPJF-UHFFFAOYSA-N -1 1 348.344 2.731 20 5 EFBDMM CCOc1cc(Oc2snc(C)c2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609242901 1098217177 /nfs/dbraw/zinc/21/71/77/1098217177.db2.gz PPZJEQUAIJAPJF-UHFFFAOYSA-N -1 1 348.344 2.731 20 5 EFBDMM COc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC001609352567 1098262038 /nfs/dbraw/zinc/26/20/38/1098262038.db2.gz HUVNRFRLZGYVOM-SNVBAGLBSA-N -1 1 340.343 2.957 20 5 EFBDMM Cc1cccnc1CCCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609436738 1098322685 /nfs/dbraw/zinc/32/26/85/1098322685.db2.gz LXNGTEFEMIMGSH-UHFFFAOYSA-N -1 1 339.359 2.523 20 5 EFBDMM Cc1cccnc1CCCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609436738 1098322692 /nfs/dbraw/zinc/32/26/92/1098322692.db2.gz LXNGTEFEMIMGSH-UHFFFAOYSA-N -1 1 339.359 2.523 20 5 EFBDMM Nc1cc(N[C@H]2C[C@H]2C2CCCCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609511025 1098364989 /nfs/dbraw/zinc/36/49/89/1098364989.db2.gz SNAIQSCBWSPEBH-FZMZJTMJSA-N -1 1 343.391 2.738 20 5 EFBDMM Nc1cc(N[C@H]2C[C@H]2C2CCCCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609511025 1098364993 /nfs/dbraw/zinc/36/49/93/1098364993.db2.gz SNAIQSCBWSPEBH-FZMZJTMJSA-N -1 1 343.391 2.738 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CC[C@@H]3CCCC[C@@H]3C2)cc1-c1nnn[n-]1 ZINC001609601353 1098396466 /nfs/dbraw/zinc/39/64/66/1098396466.db2.gz JKLUGXOPKSTLHQ-NWDGAFQWSA-N -1 1 328.376 2.791 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CC[C@@H]3CCCC[C@@H]3C2)cc1-c1nn[n-]n1 ZINC001609601353 1098396473 /nfs/dbraw/zinc/39/64/73/1098396473.db2.gz JKLUGXOPKSTLHQ-NWDGAFQWSA-N -1 1 328.376 2.791 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1CN[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001610348325 1098630879 /nfs/dbraw/zinc/63/08/79/1098630879.db2.gz XDRJUSVCTMTGBP-MRXNPFEDSA-N -1 1 348.330 2.966 20 5 EFBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(Nc2cc3cn[nH]c3cc2C)n1 ZINC001610440518 1098677533 /nfs/dbraw/zinc/67/75/33/1098677533.db2.gz TYBVJLXCOAJZBE-UHFFFAOYSA-N -1 1 327.300 2.925 20 5 EFBDMM Cc1cscc1CNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001610548073 1098745157 /nfs/dbraw/zinc/74/51/57/1098745157.db2.gz MCUBFPGSRNZOLH-UHFFFAOYSA-N -1 1 336.369 2.718 20 5 EFBDMM O=[N+]([O-])c1cccc(-c2noc(-c3cc4c(cc3[O-])OCO4)n2)c1 ZINC000436894845 1103705167 /nfs/dbraw/zinc/70/51/67/1103705167.db2.gz UTQAAJHAQMOHCM-UHFFFAOYSA-N -1 1 327.252 2.746 20 5 EFBDMM Cc1ccccc1OCCCN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186989235 236088124 /nfs/dbraw/zinc/08/81/24/236088124.db2.gz QIJKAHWBIYEYCA-UHFFFAOYSA-N -1 1 345.355 2.545 20 5 EFBDMM Cc1ccc(C(C)(C)CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000193546573 240113448 /nfs/dbraw/zinc/11/34/48/240113448.db2.gz YGDPVPRSLIHCCI-UHFFFAOYSA-N -1 1 329.356 2.711 20 5 EFBDMM CC[C@H](Cc1ccccc1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193627597 240243349 /nfs/dbraw/zinc/24/33/49/240243349.db2.gz NPPGUKHPAGHBDA-CQSZACIVSA-N -1 1 329.356 2.789 20 5 EFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1 ZINC000006328576 206389635 /nfs/dbraw/zinc/38/96/35/206389635.db2.gz YUKLRWSKICTAKV-UHFFFAOYSA-N -1 1 344.295 2.997 20 5 EFBDMM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175114856 207094912 /nfs/dbraw/zinc/09/49/12/207094912.db2.gz HVFMTJISLKKQAY-VIFPVBQESA-N -1 1 339.373 2.548 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)c1C ZINC000268701146 252153244 /nfs/dbraw/zinc/15/32/44/252153244.db2.gz FQWYZHKLCUVKLE-UHFFFAOYSA-N -1 1 336.373 2.613 20 5 EFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1cccs1 ZINC000119505660 221335773 /nfs/dbraw/zinc/33/57/73/221335773.db2.gz FAGTWUNQNOTKKJ-UHFFFAOYSA-N -1 1 346.817 2.831 20 5 EFBDMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000349503072 142334018 /nfs/dbraw/zinc/33/40/18/142334018.db2.gz HKVHLTAWSWPNDM-UHFFFAOYSA-N -1 1 341.327 2.852 20 5 EFBDMM Cc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1[N+](=O)[O-] ZINC000342428016 145123463 /nfs/dbraw/zinc/12/34/63/145123463.db2.gz BFWDPEGUHUSKAW-UHFFFAOYSA-N -1 1 349.324 2.551 20 5 EFBDMM O=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1ccc([N+](=O)[O-])[n-]1 ZINC000343910837 145322782 /nfs/dbraw/zinc/32/27/82/145322782.db2.gz VDNUXWAGNSPYNQ-UHFFFAOYSA-N -1 1 333.254 2.844 20 5 EFBDMM Cc1cn2cc([N-]S(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])ccc2n1 ZINC000350730519 146084675 /nfs/dbraw/zinc/08/46/75/146084675.db2.gz TUCAKCVQJPKQLI-UHFFFAOYSA-N -1 1 346.368 2.660 20 5 EFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)c1 ZINC000351623292 146161775 /nfs/dbraw/zinc/16/17/75/146161775.db2.gz UUTSTOIGOOBBEZ-UHFFFAOYSA-N -1 1 336.373 2.613 20 5 EFBDMM O=C(N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000352994493 146369537 /nfs/dbraw/zinc/36/95/37/146369537.db2.gz WVGLLMGITUURGI-DGCLKSJQSA-N -1 1 345.330 2.901 20 5 EFBDMM O=C(N[C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000352994495 146369756 /nfs/dbraw/zinc/36/97/56/146369756.db2.gz WVGLLMGITUURGI-YPMHNXCESA-N -1 1 345.330 2.901 20 5 EFBDMM CCC(=O)Nc1cccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000355946242 147105639 /nfs/dbraw/zinc/10/56/39/147105639.db2.gz VHCAKUYPKFVUDH-UHFFFAOYSA-N -1 1 327.300 2.988 20 5 EFBDMM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000362094227 148755258 /nfs/dbraw/zinc/75/52/58/148755258.db2.gz MKXZVJXJPMPJPN-LURJTMIESA-N -1 1 346.714 2.867 20 5 EFBDMM O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000373887260 151243795 /nfs/dbraw/zinc/24/37/95/151243795.db2.gz JRGOWASKGHIUCE-MJHDQNEOSA-N -1 1 331.303 2.511 20 5 EFBDMM COc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccc1F ZINC000188580971 265141200 /nfs/dbraw/zinc/14/12/00/265141200.db2.gz RHRQRLMTSHQXBW-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM Cc1ccccc1[C@@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000277686444 267234188 /nfs/dbraw/zinc/23/41/88/267234188.db2.gz JGQSZESISWSBID-GFCCVEGCSA-N -1 1 327.340 2.634 20 5 EFBDMM O=C(N[C@H]1CCC[C@H]1c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277812603 267270363 /nfs/dbraw/zinc/27/03/63/267270363.db2.gz XMWNGADJKVCSOB-KBPBESRZSA-N -1 1 327.340 2.762 20 5 EFBDMM Cc1cccc([C@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)c1 ZINC000278061380 267330984 /nfs/dbraw/zinc/33/09/84/267330984.db2.gz NDEQPXUAKJSYJF-ZDUSSCGKSA-N -1 1 327.340 2.634 20 5 EFBDMM C[C@@H]1CN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)C[C@H](C)O1 ZINC000279251374 273193334 /nfs/dbraw/zinc/19/33/34/273193334.db2.gz TUPSMIQDVJMFKU-TXEJJXNPSA-N -1 1 344.371 2.789 20 5 EFBDMM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193774777 274321418 /nfs/dbraw/zinc/32/14/18/274321418.db2.gz OBPAIXJSSTVALZ-MEBBXXQBSA-N -1 1 327.340 2.749 20 5 EFBDMM Cc1ccccc1[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000263735104 292656062 /nfs/dbraw/zinc/65/60/62/292656062.db2.gz UTRVCZZETGGSEO-GFCCVEGCSA-N -1 1 327.340 2.634 20 5 EFBDMM CC[C@@H]1c2ccsc2CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187073213 280621063 /nfs/dbraw/zinc/62/10/63/280621063.db2.gz FKPUNULROJEMSM-LLVKDONJSA-N -1 1 333.369 2.907 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ncccc1Cl ZINC000128627615 293109995 /nfs/dbraw/zinc/10/99/95/293109995.db2.gz PEXIZLVUHWBTBY-UHFFFAOYSA-N -1 1 327.749 2.752 20 5 EFBDMM CSc1nsc([N-]C(=O)c2ccc([N+](=O)[O-])c3cccnc23)n1 ZINC000130004957 293150617 /nfs/dbraw/zinc/15/06/17/293150617.db2.gz HHILQUCPOHQKRN-UHFFFAOYSA-N -1 1 347.381 2.969 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)COC2 ZINC000132924876 293242018 /nfs/dbraw/zinc/24/20/18/293242018.db2.gz JXVQKTTXKOGBRD-UHFFFAOYSA-N -1 1 334.353 2.734 20 5 EFBDMM Cc1cc(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000290601958 294132656 /nfs/dbraw/zinc/13/26/56/294132656.db2.gz DVCYEXIMEHGZDC-LLVKDONJSA-N -1 1 345.321 2.798 20 5 EFBDMM O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000294156768 295120389 /nfs/dbraw/zinc/12/03/89/295120389.db2.gz VAQHFRBVOUZCOB-MJHDQNEOSA-N -1 1 331.303 2.511 20 5 EFBDMM COC(=O)c1cnc([N-]c2cnn([C@@H](C)C3CC3)c2)c([N+](=O)[O-])c1 ZINC000302769705 311199988 /nfs/dbraw/zinc/19/99/88/311199988.db2.gz MMVRUXCJNNUSJL-VIFPVBQESA-N -1 1 331.332 2.688 20 5 EFBDMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000350570111 311807765 /nfs/dbraw/zinc/80/77/65/311807765.db2.gz NGEQVJSLENSFMX-UHFFFAOYSA-N -1 1 340.295 2.976 20 5 EFBDMM CCN(C(=O)Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)c1ccccc1 ZINC000350965938 311838926 /nfs/dbraw/zinc/83/89/26/311838926.db2.gz SZRRTGXZRRLXJT-UHFFFAOYSA-N -1 1 341.327 2.569 20 5 EFBDMM CC(C)(C)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525186018 316194777 /nfs/dbraw/zinc/19/47/77/316194777.db2.gz UBLZHDBJUJLKDE-RYUDHWBXSA-N -1 1 341.433 2.873 20 5 EFBDMM CCCC1CCC([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000525699945 316227405 /nfs/dbraw/zinc/22/74/05/316227405.db2.gz QTLSYAVTGWEODC-UHFFFAOYSA-N -1 1 327.406 2.627 20 5 EFBDMM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3c[nH]nc3[N+](=O)[O-])s2)c1 ZINC000548956034 318158625 /nfs/dbraw/zinc/15/86/25/318158625.db2.gz UFMPRWRZCAPIAD-UHFFFAOYSA-N -1 1 344.356 2.706 20 5 EFBDMM O=C([O-])c1cccc2c1CCN(CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000566572553 319091416 /nfs/dbraw/zinc/09/14/16/319091416.db2.gz GJXJDKYBTPZNRF-UHFFFAOYSA-N -1 1 342.351 2.730 20 5 EFBDMM C[C@@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1F ZINC000185429765 323390811 /nfs/dbraw/zinc/39/08/11/323390811.db2.gz NWRXPIYQPASJRY-RXMQYKEDSA-N -1 1 347.228 2.613 20 5 EFBDMM CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccco1 ZINC000095456854 473208101 /nfs/dbraw/zinc/20/81/01/473208101.db2.gz BJTJNPNRZQDHOP-CQSZACIVSA-N -1 1 347.371 2.706 20 5 EFBDMM CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000006619817 471554608 /nfs/dbraw/zinc/55/46/08/471554608.db2.gz LQHHRAWFYGVWDM-UHFFFAOYSA-N -1 1 336.369 2.967 20 5 EFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000038594613 472019794 /nfs/dbraw/zinc/01/97/94/472019794.db2.gz WWJDQNKGUGZREH-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM COc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000055619149 472213044 /nfs/dbraw/zinc/21/30/44/472213044.db2.gz VYOUNZMFFZYXBI-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM CC(=O)c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000030529820 472337638 /nfs/dbraw/zinc/33/76/38/472337638.db2.gz OUOOXVFRGBHOFM-UHFFFAOYSA-N -1 1 334.353 2.907 20 5 EFBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H](C1CC1)N1CCCC1 ZINC000128671303 472482844 /nfs/dbraw/zinc/48/28/44/472482844.db2.gz AHAQKKNLYUSMKV-ZDUSSCGKSA-N -1 1 339.779 2.767 20 5 EFBDMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2c(C)noc2C)cc1OC ZINC000063447359 472776814 /nfs/dbraw/zinc/77/68/14/472776814.db2.gz VJRQPPFFXSVYFD-UHFFFAOYSA-N -1 1 335.316 2.859 20 5 EFBDMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000106006491 472815341 /nfs/dbraw/zinc/81/53/41/472815341.db2.gz MNPXKABVQYUKSA-JTQLQIEISA-N -1 1 334.353 2.719 20 5 EFBDMM COc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000074983057 473106822 /nfs/dbraw/zinc/10/68/22/473106822.db2.gz NWQJCWZXOMNNMS-UHFFFAOYSA-N -1 1 326.305 2.543 20 5 EFBDMM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000160833481 473180637 /nfs/dbraw/zinc/18/06/37/473180637.db2.gz NDTGHRFVUBLGST-UHFFFAOYSA-N -1 1 328.296 2.982 20 5 EFBDMM CC[C@@H](c1ccncc1)N(CC)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185713068 473495332 /nfs/dbraw/zinc/49/53/32/473495332.db2.gz YPQBSIVTSSJVSJ-ZDUSSCGKSA-N -1 1 330.344 2.704 20 5 EFBDMM CC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000185717969 473496686 /nfs/dbraw/zinc/49/66/86/473496686.db2.gz DCGQPDFFVISXKX-GFCCVEGCSA-N -1 1 337.282 2.855 20 5 EFBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000165163685 473508141 /nfs/dbraw/zinc/50/81/41/473508141.db2.gz AXKFXGYYBMYDOZ-LBPRGKRZSA-N -1 1 328.390 2.522 20 5 EFBDMM Cc1nnc([C@H](C)[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)s1 ZINC000274026583 473708869 /nfs/dbraw/zinc/70/88/69/473708869.db2.gz RXAYDDXPQWECKN-ZETCQYMHSA-N -1 1 342.327 2.724 20 5 EFBDMM CC[C@@H]1Cc2ccccc2CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000194016955 473829030 /nfs/dbraw/zinc/82/90/30/473829030.db2.gz FKTWZJQGUBKZFL-CQSZACIVSA-N -1 1 327.340 2.673 20 5 EFBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1C(=O)NC(C)C ZINC000264536434 474027869 /nfs/dbraw/zinc/02/78/69/474027869.db2.gz GGRVGKAXMLTKNP-UHFFFAOYSA-N -1 1 330.344 2.622 20 5 EFBDMM Cc1cccc([C@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000188247971 474033181 /nfs/dbraw/zinc/03/31/81/474033181.db2.gz XEESUKMJZLAWIB-CQSZACIVSA-N -1 1 327.340 2.981 20 5 EFBDMM Cc1nc(C)c([C@H](C)N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)s1 ZINC000188436555 474095087 /nfs/dbraw/zinc/09/50/87/474095087.db2.gz FEWNQDBCKMPUHE-QMMMGPOBSA-N -1 1 336.373 2.602 20 5 EFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(c2ccsc2)CC1 ZINC000188715023 474174493 /nfs/dbraw/zinc/17/44/93/474174493.db2.gz UFAGDYWGISSVOY-UHFFFAOYSA-N -1 1 333.369 2.777 20 5 EFBDMM COCc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1 ZINC000340910522 474769866 /nfs/dbraw/zinc/76/98/66/474769866.db2.gz DRQWLPJIZJEDJQ-UHFFFAOYSA-N -1 1 336.369 2.850 20 5 EFBDMM CCn1cc(S(=O)(=O)[N-]C(CC(C)C)CC(C)C)c([N+](=O)[O-])n1 ZINC000339043046 474870588 /nfs/dbraw/zinc/87/05/88/474870588.db2.gz MPKDJOKMSTUHQF-UHFFFAOYSA-N -1 1 346.453 2.550 20 5 EFBDMM COc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000319321435 474899887 /nfs/dbraw/zinc/89/98/87/474899887.db2.gz NTZZLGOQMSJREX-UHFFFAOYSA-N -1 1 326.305 2.543 20 5 EFBDMM COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000273648799 475001325 /nfs/dbraw/zinc/00/13/25/475001325.db2.gz IMSSXNHNLCEHCB-JTQLQIEISA-N -1 1 331.328 2.527 20 5 EFBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C2CC2)n[nH]1 ZINC000268472985 475001729 /nfs/dbraw/zinc/00/17/29/475001729.db2.gz IRGMMJPOTMEVTR-UHFFFAOYSA-N -1 1 336.373 2.559 20 5 EFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cc(OC4CCC4)ccn3)no2)[n-]1 ZINC000273922805 475119286 /nfs/dbraw/zinc/11/92/86/475119286.db2.gz WFZWMWJGHCEUOG-UHFFFAOYSA-N -1 1 327.300 2.966 20 5 EFBDMM CSc1ccccc1[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000337562190 475130410 /nfs/dbraw/zinc/13/04/10/475130410.db2.gz TZTJSNSPGZDZLI-SECBINFHSA-N -1 1 333.369 2.908 20 5 EFBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n(Cc2ccccc2)n1 ZINC000341568081 475152126 /nfs/dbraw/zinc/15/21/26/475152126.db2.gz VGANFLURUXSTGS-UHFFFAOYSA-N -1 1 325.328 2.728 20 5 EFBDMM CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262062580 475161741 /nfs/dbraw/zinc/16/17/41/475161741.db2.gz BXYFWCPHERWBQB-SUMWQHHRSA-N -1 1 334.372 2.680 20 5 EFBDMM CNc1c(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)cccc1[N+](=O)[O-] ZINC000361373839 475394642 /nfs/dbraw/zinc/39/46/42/475394642.db2.gz CUWRGRJSHCBUHI-UHFFFAOYSA-N -1 1 343.368 2.762 20 5 EFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(CC(F)(F)F)CC1 ZINC000358246017 475522810 /nfs/dbraw/zinc/52/28/10/475522810.db2.gz RXYFLWJCJABDIT-UHFFFAOYSA-N -1 1 333.266 2.500 20 5 EFBDMM O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000349055222 475899310 /nfs/dbraw/zinc/89/93/10/475899310.db2.gz ILLPZDJAVHPWLD-DZGCQCFKSA-N -1 1 327.340 2.762 20 5 EFBDMM Cc1ccc(S(=O)(=O)[N-]c2cc3cn[nH]c3cc2C)c([N+](=O)[O-])c1 ZINC000358799540 475948660 /nfs/dbraw/zinc/94/86/60/475948660.db2.gz MRSLYHKKLQCPMR-UHFFFAOYSA-N -1 1 346.368 2.889 20 5 EFBDMM COc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(OC)cc1Cl ZINC000340425007 476026662 /nfs/dbraw/zinc/02/66/62/476026662.db2.gz KNHYGRCYUUHGHF-UHFFFAOYSA-N -1 1 325.708 2.846 20 5 EFBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n(-c2ccc(F)cc2)n1 ZINC000338667812 476100084 /nfs/dbraw/zinc/10/00/84/476100084.db2.gz PGEVRFSZGFQOOY-UHFFFAOYSA-N -1 1 329.291 2.808 20 5 EFBDMM C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000298969870 476133784 /nfs/dbraw/zinc/13/37/84/476133784.db2.gz HSQBGBOEFOTVEK-JTQLQIEISA-N -1 1 342.348 2.627 20 5 EFBDMM Cc1ccc(CN[C@]2(C(=O)[O-])CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000340672464 476195006 /nfs/dbraw/zinc/19/50/06/476195006.db2.gz AGKWZVXQWKJNNO-GOSISDBHSA-N -1 1 342.351 2.755 20 5 EFBDMM O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340697240 476214273 /nfs/dbraw/zinc/21/42/73/476214273.db2.gz LXSMSEOKDUUMIA-UHFFFAOYSA-N -1 1 325.284 2.758 20 5 EFBDMM CC(C)(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Cc1ccccc1 ZINC000303674029 476244782 /nfs/dbraw/zinc/24/47/82/476244782.db2.gz KMISOVOYKKGIFX-UHFFFAOYSA-N -1 1 329.356 2.694 20 5 EFBDMM CC[C@H](C)n1ncc([N-]c2nccc(C(N)=O)c2[N+](=O)[O-])c1C1CC1 ZINC000357484455 476411549 /nfs/dbraw/zinc/41/15/49/476411549.db2.gz RAXKHTCXRSGGIX-VIFPVBQESA-N -1 1 344.375 2.877 20 5 EFBDMM CCCCn1ncc([N-]c2nccc(C(N)=O)c2[N+](=O)[O-])c1C(C)C ZINC000357683560 476535471 /nfs/dbraw/zinc/53/54/71/476535471.db2.gz VJNVZGNQVASGBH-UHFFFAOYSA-N -1 1 346.391 2.952 20 5 EFBDMM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000445699213 476760425 /nfs/dbraw/zinc/76/04/25/476760425.db2.gz ILBUSMXLBGAEES-SECBINFHSA-N -1 1 340.323 2.850 20 5 EFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](c2ccccc2)C1 ZINC000452161282 476860000 /nfs/dbraw/zinc/86/00/00/476860000.db2.gz OFUBKVKKZSEJSI-CYBMUJFWSA-N -1 1 327.340 2.715 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000375946181 477095172 /nfs/dbraw/zinc/09/51/72/477095172.db2.gz ICRFLJAXAMPEEY-AWEZNQCLSA-N -1 1 341.367 2.790 20 5 EFBDMM O=C(c1cncc([O-])c1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452837075 477101632 /nfs/dbraw/zinc/10/16/32/477101632.db2.gz DTJSXKCOWWBOBW-ZDUSSCGKSA-N -1 1 327.340 2.715 20 5 EFBDMM O=C(c1cncc([O-])c1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452837072 477102365 /nfs/dbraw/zinc/10/23/65/477102365.db2.gz DTJSXKCOWWBOBW-CYBMUJFWSA-N -1 1 327.340 2.715 20 5 EFBDMM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CC(F)(F)F ZINC000416609314 477238452 /nfs/dbraw/zinc/23/84/52/477238452.db2.gz UQXRSGWQZCBJFJ-ZETCQYMHSA-N -1 1 344.286 2.601 20 5 EFBDMM CC(C)(C)OC(=O)[C@]1(C)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000453603515 477247319 /nfs/dbraw/zinc/24/73/19/477247319.db2.gz HZBVEKBNQSCAEH-QGZVFWFLSA-N -1 1 336.388 2.854 20 5 EFBDMM CCCN=c1[n-]nc(SCc2cc(O)ccc2[N+](=O)[O-])s1 ZINC000436473908 477485646 /nfs/dbraw/zinc/48/56/46/477485646.db2.gz JATVVQACTHWTBT-UHFFFAOYSA-N -1 1 326.403 2.688 20 5 EFBDMM COc1ccc(CNC(=O)c2ccc(Cl)cc2[O-])cc1[N+](=O)[O-] ZINC000436825770 477602492 /nfs/dbraw/zinc/60/24/92/477602492.db2.gz MGDKFMJGBMRHTR-UHFFFAOYSA-N -1 1 336.731 2.892 20 5 EFBDMM O=c1[n-]nc([C@H]2CCCN(c3nccc4c3cccc4[N+](=O)[O-])C2)o1 ZINC000450500277 477607939 /nfs/dbraw/zinc/60/79/39/477607939.db2.gz MVLJZNZDIVUKEH-JTQLQIEISA-N -1 1 341.327 2.616 20 5 EFBDMM Cc1ccc(NCCCNC(=O)c2c([O-])cccc2F)c([N+](=O)[O-])c1 ZINC000436992847 477660582 /nfs/dbraw/zinc/66/05/82/477660582.db2.gz WXZMTBTYQROFOY-UHFFFAOYSA-N -1 1 347.346 2.980 20 5 EFBDMM COc1cccc(-c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)c1[O-] ZINC000436996316 477660645 /nfs/dbraw/zinc/66/06/45/477660645.db2.gz GNAQANRRADWDQV-UHFFFAOYSA-N -1 1 328.284 2.608 20 5 EFBDMM CCc1n[nH]c([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1C ZINC000438226244 477810829 /nfs/dbraw/zinc/81/08/29/477810829.db2.gz MUZMUMPBDNRMBK-UHFFFAOYSA-N -1 1 338.389 2.606 20 5 EFBDMM CCc1n[nH]c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)c1C ZINC000438226522 477811105 /nfs/dbraw/zinc/81/11/05/477811105.db2.gz PFKASZYBEICHFO-UHFFFAOYSA-N -1 1 338.389 2.552 20 5 EFBDMM C[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000461849324 477885761 /nfs/dbraw/zinc/88/57/61/477885761.db2.gz KERBJXDFNYFHQZ-ZJUUUORDSA-N -1 1 332.809 2.963 20 5 EFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCC(F)(F)F)c(Cl)c1 ZINC000439231818 477946403 /nfs/dbraw/zinc/94/64/03/477946403.db2.gz BZPOUTUXTTXLQD-UHFFFAOYSA-N -1 1 346.714 2.869 20 5 EFBDMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C ZINC000421136384 477976815 /nfs/dbraw/zinc/97/68/15/477976815.db2.gz DHGVPSCAZMWBAZ-LBPRGKRZSA-N -1 1 330.406 2.706 20 5 EFBDMM COCCc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc2o1 ZINC000439994594 478058365 /nfs/dbraw/zinc/05/83/65/478058365.db2.gz JKUBMSVQKRLVRW-UHFFFAOYSA-N -1 1 330.300 2.505 20 5 EFBDMM CC(C)Oc1ccccc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000534288650 478135956 /nfs/dbraw/zinc/13/59/56/478135956.db2.gz OVDCSOUIYMXAEE-NSHDSACASA-N -1 1 345.355 2.974 20 5 EFBDMM CCC1([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000451692970 478159000 /nfs/dbraw/zinc/15/90/00/478159000.db2.gz WLCMKSRYOSFBTP-UHFFFAOYSA-N -1 1 349.206 2.578 20 5 EFBDMM O=C1OCCN1c1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000495399348 478189728 /nfs/dbraw/zinc/18/97/28/478189728.db2.gz XGFCGSZVWDUZPC-UHFFFAOYSA-N -1 1 341.283 2.597 20 5 EFBDMM COc1cc([N+](=O)[O-])ccc1CN1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000570168471 478300000 /nfs/dbraw/zinc/30/00/00/478300000.db2.gz JRFPKGXPIBRZCL-INIZCTEOSA-N -1 1 342.351 2.615 20 5 EFBDMM C[C@@H]1CCc2ccccc2[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000539795971 478437654 /nfs/dbraw/zinc/43/76/54/478437654.db2.gz WXHBRPKWXWYWRZ-ABAIWWIYSA-N -1 1 347.396 2.592 20 5 EFBDMM C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@@H]1C(=O)[O-] ZINC000600799089 478526821 /nfs/dbraw/zinc/52/68/21/478526821.db2.gz CZPOOOUBMBNCJJ-SKDRFNHKSA-N -1 1 344.314 2.739 20 5 EFBDMM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000564093984 478693424 /nfs/dbraw/zinc/69/34/24/478693424.db2.gz UXLBTEJOLJBNOW-GZMMTYOYSA-N -1 1 332.278 2.909 20 5 EFBDMM Cc1cc(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)c(F)cc1[N+](=O)[O-] ZINC000601372093 478807700 /nfs/dbraw/zinc/80/77/00/478807700.db2.gz QYHSMRNMSQBRRF-QMMMGPOBSA-N -1 1 338.307 2.508 20 5 EFBDMM COc1cccc(C2(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CCC2)c1 ZINC000598427356 478819046 /nfs/dbraw/zinc/81/90/46/478819046.db2.gz VCJGKMGEKQJMHD-UHFFFAOYSA-N -1 1 343.339 2.513 20 5 EFBDMM C[C@@]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)(C1CC1)C(F)(F)F ZINC000592383357 478877286 /nfs/dbraw/zinc/87/72/86/478877286.db2.gz PCRJLBPQIMFVAW-LLVKDONJSA-N -1 1 338.307 2.604 20 5 EFBDMM Cc1cc(N2CCC(c3ccn[nH]3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565423642 479004993 /nfs/dbraw/zinc/00/49/93/479004993.db2.gz KWGPFTOFDRUQED-UHFFFAOYSA-N -1 1 330.344 2.709 20 5 EFBDMM O=C([O-])c1ccc2c(c1)CN(CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000584178288 479043024 /nfs/dbraw/zinc/04/30/24/479043024.db2.gz KYGIETPGBBHSKG-UHFFFAOYSA-N -1 1 342.351 2.730 20 5 EFBDMM CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000593206808 479240255 /nfs/dbraw/zinc/24/02/55/479240255.db2.gz NYSXMOKZSXMIKO-CYBMUJFWSA-N -1 1 344.389 2.702 20 5 EFBDMM CC(=O)c1cccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1[O-] ZINC000584862751 479266292 /nfs/dbraw/zinc/26/62/92/479266292.db2.gz YOBATUWAXPBBIE-UHFFFAOYSA-N -1 1 340.295 2.632 20 5 EFBDMM CC[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000599396288 479283838 /nfs/dbraw/zinc/28/38/38/479283838.db2.gz UHHWMLGHFQHZLF-CQSZACIVSA-N -1 1 349.412 2.680 20 5 EFBDMM COc1ccccc1CCN(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593736398 479439259 /nfs/dbraw/zinc/43/92/59/479439259.db2.gz NFNTUPNGAFLICF-UHFFFAOYSA-N -1 1 344.367 2.976 20 5 EFBDMM CO[C@]1(C)C[C@@H](N(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1(C)C ZINC000593743531 479443958 /nfs/dbraw/zinc/44/39/58/479443958.db2.gz INHLDPABSOKHHA-RHSMWYFYSA-N -1 1 336.388 2.928 20 5 EFBDMM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]C2(C(F)F)CCCC2)c1 ZINC000588906235 479455151 /nfs/dbraw/zinc/45/51/51/479455151.db2.gz PRWLRRPUPJCMHA-UHFFFAOYSA-N -1 1 334.344 2.592 20 5 EFBDMM O=C(Nc1c(=O)[nH][nH]c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000590399243 479639948 /nfs/dbraw/zinc/63/99/48/479639948.db2.gz IMMSCCDDTPWKIO-UHFFFAOYSA-N -1 1 340.295 2.648 20 5 EFBDMM CC(C)(CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1 ZINC000609442838 480160483 /nfs/dbraw/zinc/16/04/83/480160483.db2.gz KPLOMAGEGOHECN-UHFFFAOYSA-N -1 1 329.356 2.793 20 5 EFBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000610262592 480265363 /nfs/dbraw/zinc/26/53/63/480265363.db2.gz ODPWGTOAHGOEFK-LBPRGKRZSA-N -1 1 349.412 2.634 20 5 EFBDMM Cc1cc(C)cc(C[C@@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000610267108 480266007 /nfs/dbraw/zinc/26/60/07/480266007.db2.gz MIPQUCWPYRYBSC-CYBMUJFWSA-N -1 1 349.412 2.516 20 5 EFBDMM CN(Cc1nc2ccccc2s1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186793377 523567426 /nfs/dbraw/zinc/56/74/26/523567426.db2.gz LNATUFQXRNXGSP-UHFFFAOYSA-N -1 1 344.352 2.577 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000186988603 534767615 /nfs/dbraw/zinc/76/76/15/534767615.db2.gz AUSHEBGBGVQJHN-CYBMUJFWSA-N -1 1 331.303 2.812 20 5 EFBDMM Cc1csc(C2(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CCCC2)n1 ZINC000187563785 534795254 /nfs/dbraw/zinc/79/52/54/534795254.db2.gz QHEQYISPFWWYFJ-UHFFFAOYSA-N -1 1 348.384 2.660 20 5 EFBDMM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2F)c([N+](=O)[O-])c1 ZINC000160827766 525076346 /nfs/dbraw/zinc/07/63/46/525076346.db2.gz HZZIAKXWTWCVMN-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000193363089 526874490 /nfs/dbraw/zinc/87/44/90/526874490.db2.gz KEFDKFQLLRFWQZ-UHFFFAOYSA-N -1 1 343.314 2.764 20 5 EFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)cc1 ZINC000195451072 527377157 /nfs/dbraw/zinc/37/71/57/527377157.db2.gz DSIVYAIUXMXISD-UHFFFAOYSA-N -1 1 334.353 2.721 20 5 EFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1ccccc1 ZINC000119469699 527389575 /nfs/dbraw/zinc/38/95/75/527389575.db2.gz KRAZFTZMGFEKSA-UHFFFAOYSA-N -1 1 340.788 2.769 20 5 EFBDMM CC(C)Oc1cccc([C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000186944234 528243681 /nfs/dbraw/zinc/24/36/81/528243681.db2.gz WKJOKPNDGXQCOB-NSHDSACASA-N -1 1 345.355 2.974 20 5 EFBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263364782 535021027 /nfs/dbraw/zinc/02/10/27/535021027.db2.gz SVOGFYMOSWYJQS-TZMCWYRMSA-N -1 1 336.388 2.925 20 5 EFBDMM CN(Cc1ccc(Cl)c(F)c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193775945 536467747 /nfs/dbraw/zinc/46/77/47/536467747.db2.gz KVLLMTLEOWHQGU-UHFFFAOYSA-N -1 1 339.710 2.760 20 5 EFBDMM COCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Cl ZINC000344185286 536666997 /nfs/dbraw/zinc/66/69/97/536666997.db2.gz JKJLJJSPLCUFMO-UHFFFAOYSA-N -1 1 339.735 2.854 20 5 EFBDMM CN(C)Cc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1F ZINC000755452746 575587942 /nfs/dbraw/zinc/58/79/42/575587942.db2.gz OFZSAYJGVXBBNF-UHFFFAOYSA-N -1 1 333.319 2.753 20 5 EFBDMM CCCCCC(C)(C)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000756189384 575699784 /nfs/dbraw/zinc/69/97/84/575699784.db2.gz PDVYOGAEIVQBRS-UHFFFAOYSA-N -1 1 329.422 2.875 20 5 EFBDMM CC(=O)[C@H](Cc1ccccc1F)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000768777861 577301474 /nfs/dbraw/zinc/30/14/74/577301474.db2.gz JDHRLFJZQOHXTC-INIZCTEOSA-N -1 1 347.298 2.797 20 5 EFBDMM COc1cccc([C@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768817374 577305642 /nfs/dbraw/zinc/30/56/42/577305642.db2.gz NLANUGKIAJUUCM-VIFPVBQESA-N -1 1 342.398 2.704 20 5 EFBDMM COc1cccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1F ZINC000769889274 577391791 /nfs/dbraw/zinc/39/17/91/577391791.db2.gz GTLHYKLXHVXTHM-UHFFFAOYSA-N -1 1 332.334 2.605 20 5 EFBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000770494931 577421640 /nfs/dbraw/zinc/42/16/40/577421640.db2.gz ZRWMEEXQDSFPCE-MRVPVSSYSA-N -1 1 344.352 2.796 20 5 EFBDMM O=C([N-]N1CCc2ccccc2C1=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000770550875 581108832 /nfs/dbraw/zinc/10/88/32/581108832.db2.gz LUKSSHDDZPWPKB-UHFFFAOYSA-N -1 1 345.742 2.592 20 5 EFBDMM O=C([N-]N1CCc2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000770552431 581109306 /nfs/dbraw/zinc/10/93/06/581109306.db2.gz WOJAZYIFDBQIIC-UHFFFAOYSA-N -1 1 345.742 2.592 20 5 EFBDMM C[C@@H](OC(=O)c1ccc([O-])cc1F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000773583629 581448075 /nfs/dbraw/zinc/44/80/75/581448075.db2.gz PKFZASOLHYDIMX-SECBINFHSA-N -1 1 348.286 2.624 20 5 EFBDMM Cc1c(Oc2c3ccccc3nnc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000737219742 598960366 /nfs/dbraw/zinc/96/03/66/598960366.db2.gz SVEPRFJJSKXRLT-UHFFFAOYSA-N -1 1 349.310 2.819 20 5 EFBDMM CSc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000821983761 599236124 /nfs/dbraw/zinc/23/61/24/599236124.db2.gz JGCQTGVHHYMPRQ-UHFFFAOYSA-N -1 1 330.329 2.684 20 5 EFBDMM CSc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000821983761 599236125 /nfs/dbraw/zinc/23/61/25/599236125.db2.gz JGCQTGVHHYMPRQ-UHFFFAOYSA-N -1 1 330.329 2.684 20 5 EFBDMM O=C([O-])[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000821510795 598128844 /nfs/dbraw/zinc/12/88/44/598128844.db2.gz LSHNVNZSNADUAL-LLVKDONJSA-N -1 1 333.369 2.625 20 5 EFBDMM O=C([O-])CC1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000738564289 600078642 /nfs/dbraw/zinc/07/86/42/600078642.db2.gz MMRNTRQSVOFTLQ-UHFFFAOYSA-N -1 1 344.371 2.603 20 5 EFBDMM O=C([O-])CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000739724106 600216554 /nfs/dbraw/zinc/21/65/54/600216554.db2.gz HNDJCBSKOMPAHH-CYBMUJFWSA-N -1 1 342.779 2.704 20 5 EFBDMM COc1cc(OC)cc([C@@H](NCc2ccccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC000832057765 602167324 /nfs/dbraw/zinc/16/73/24/602167324.db2.gz SEULBXFPSDSCRN-MRXNPFEDSA-N -1 1 346.339 2.528 20 5 EFBDMM C[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000833630229 604665932 /nfs/dbraw/zinc/66/59/32/604665932.db2.gz QGLWTEBFFBTQOZ-WCBMZHEXSA-N -1 1 343.177 2.510 20 5 EFBDMM C[C@@]1(C(=O)[O-])CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000833553425 604674678 /nfs/dbraw/zinc/67/46/78/604674678.db2.gz DLHAVLHWBGGHKV-CYBMUJFWSA-N -1 1 343.177 2.654 20 5 EFBDMM O=[N+]([O-])c1cc(NCCc2c[nH]c3ccccc23)ccc1-c1nn[n-]n1 ZINC000823635211 606644463 /nfs/dbraw/zinc/64/44/63/606644463.db2.gz TZUHXCGJACUQCM-UHFFFAOYSA-N -1 1 349.354 2.911 20 5 EFBDMM Cc1cc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)ccc1F ZINC000822201072 606644755 /nfs/dbraw/zinc/64/47/55/606644755.db2.gz PQNFHZHVSIVCOX-UHFFFAOYSA-N -1 1 328.307 2.835 20 5 EFBDMM C[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Cc1cccs1 ZINC000820280956 606711544 /nfs/dbraw/zinc/71/15/44/606711544.db2.gz PYTUHOKRASWKHV-SECBINFHSA-N -1 1 345.388 2.522 20 5 EFBDMM C[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Cc1cccs1 ZINC000820280956 606711545 /nfs/dbraw/zinc/71/15/45/606711545.db2.gz PYTUHOKRASWKHV-SECBINFHSA-N -1 1 345.388 2.522 20 5 EFBDMM Cc1ccc([C@H](C)Nc2cccc(-c3nnn[n-]3)n2)cc1[N+](=O)[O-] ZINC000826283511 607901871 /nfs/dbraw/zinc/90/18/71/607901871.db2.gz SQJNHFZAWRHTKI-JTQLQIEISA-N -1 1 325.332 2.651 20 5 EFBDMM Cc1ccc([C@H](C)Nc2cccc(-c3nn[n-]n3)n2)cc1[N+](=O)[O-] ZINC000826283511 607901872 /nfs/dbraw/zinc/90/18/72/607901872.db2.gz SQJNHFZAWRHTKI-JTQLQIEISA-N -1 1 325.332 2.651 20 5 EFBDMM O=c1nc2nc[nH]c2c(Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])[n-]1 ZINC001170234071 1278920703 /nfs/dbraw/zinc/92/07/03/1278920703.db2.gz PWJACURTTDQDHB-UHFFFAOYSA-N -1 1 340.221 2.729 20 5 EFBDMM O=c1[n-]c2nc(=O)[nH]c(Nc3cc4ccccc4c([N+](=O)[O-])c3)c2[nH]1 ZINC001170223907 1278934099 /nfs/dbraw/zinc/93/40/99/1278934099.db2.gz TUIGBMWQQILLJF-UHFFFAOYSA-N -1 1 338.283 2.521 20 5 EFBDMM O=C(CSc1ccccc1F)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000786597716 1275460629 /nfs/dbraw/zinc/46/06/29/1275460629.db2.gz QXUISTFSXRHWHA-UHFFFAOYSA-N -1 1 334.328 2.783 20 5 EFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C2CC2)C1 ZINC000819925908 1276949185 /nfs/dbraw/zinc/94/91/85/1276949185.db2.gz NBANHJRKZWSIHA-NWDGAFQWSA-N -1 1 342.392 2.981 20 5 EFBDMM CCC1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815023491 1287254834 /nfs/dbraw/zinc/25/48/34/1287254834.db2.gz WZXVSHZOKJQLFG-UHFFFAOYSA-N -1 1 336.772 2.856 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCC1CCC1 ZINC000815023680 1287255136 /nfs/dbraw/zinc/25/51/36/1287255136.db2.gz DIWMZGMNDXPJGE-UHFFFAOYSA-N -1 1 336.772 2.856 20 5 EFBDMM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815036139 1287282065 /nfs/dbraw/zinc/28/20/65/1287282065.db2.gz RKDOJXGGZNHRJQ-JGVFFNPUSA-N -1 1 336.772 2.854 20 5 EFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)cs1 ZINC000808346745 1281663813 /nfs/dbraw/zinc/66/38/13/1281663813.db2.gz MMDTUXGKXXTEHG-UHFFFAOYSA-N -1 1 326.346 2.513 20 5 EFBDMM CC1(C)C[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809816643 1282478248 /nfs/dbraw/zinc/47/82/48/1282478248.db2.gz LZVJVABNVYYCGA-SSDOTTSWSA-N -1 1 336.772 2.712 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C2(C3CC3)CC2)cc1Cl ZINC000809826791 1282525052 /nfs/dbraw/zinc/52/50/52/1282525052.db2.gz QRUSHUSLCJQMKA-UHFFFAOYSA-N -1 1 334.756 2.608 20 5 EFBDMM Cc1cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n(-c2ccncc2)n1 ZINC001176678662 1288067969 /nfs/dbraw/zinc/06/79/69/1288067969.db2.gz WXXACMNFZAYKRP-UHFFFAOYSA-N -1 1 339.311 2.926 20 5 EFBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cccc(OC(F)(F)F)c2)no1 ZINC001212892984 1290622835 /nfs/dbraw/zinc/62/28/35/1290622835.db2.gz HIJPXWJRSASYHT-UHFFFAOYSA-N -1 1 341.205 2.934 20 5 EFBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cc(Cl)c(F)cc2F)no1 ZINC001212893120 1290626861 /nfs/dbraw/zinc/62/68/61/1290626861.db2.gz NEXPSMSDBHYXEM-UHFFFAOYSA-N -1 1 327.634 2.967 20 5 EFBDMM O=[N+]([O-])c1nc[nH]c1-c1nc(-c2ccc3[n-]c(=S)sc3c2)no1 ZINC001212892914 1290629766 /nfs/dbraw/zinc/62/97/66/1290629766.db2.gz BSALFROJUAKTKE-UHFFFAOYSA-N -1 1 346.353 2.933 20 5 EFBDMM C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879766210 1292263671 /nfs/dbraw/zinc/26/36/71/1292263671.db2.gz VUAIBFUCHNMOFK-QMTHXVAHSA-N -1 1 345.321 2.799 20 5 EFBDMM COC(=O)[C@@H]1CCC[C@@H]1Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233498225 1312943618 /nfs/dbraw/zinc/94/36/18/1312943618.db2.gz KOZXNPZKZVQZOC-KRTXAFLBSA-N -1 1 339.735 2.845 20 5 EFBDMM O=S(=O)(C[C@H]1CCCO1)[N-]c1cc2cccnc2c2ncccc12 ZINC001193262455 1293219720 /nfs/dbraw/zinc/21/97/20/1293219720.db2.gz QZTUKNYNQFHITR-CYBMUJFWSA-N -1 1 343.408 2.704 20 5 EFBDMM CCOC[C@H](C)Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234125281 1313062791 /nfs/dbraw/zinc/06/27/91/1313062791.db2.gz QFGKOMRZYKOUIW-VIFPVBQESA-N -1 1 346.335 2.867 20 5 EFBDMM COC(=O)c1ccc(C(=O)O[C@@H](C)c2cc([N+](=O)[O-])ccc2C)[n-]1 ZINC000796346690 1294522768 /nfs/dbraw/zinc/52/27/68/1294522768.db2.gz PLZHPVXPGQMFJF-JTQLQIEISA-N -1 1 332.312 2.936 20 5 EFBDMM O=[N+]([O-])c1cc(O)cc(Nc2ncc(Br)cc2[O-])c1 ZINC001199802831 1295761122 /nfs/dbraw/zinc/76/11/22/1295761122.db2.gz ZQMABKUPJVYPCH-UHFFFAOYSA-N -1 1 326.106 2.907 20 5 EFBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(O[C@H]3CCCOC3)c12 ZINC001234742171 1313187949 /nfs/dbraw/zinc/18/79/49/1313187949.db2.gz NBVWEMLUGZXTQP-NSHDSACASA-N -1 1 328.320 2.915 20 5 EFBDMM C[C@@H](Oc1c([O-])cc(Br)cc1[N+](=O)[O-])c1ncccn1 ZINC001234881637 1313202948 /nfs/dbraw/zinc/20/29/48/1313202948.db2.gz QVEVBDPYRSPPKE-SSDOTTSWSA-N -1 1 340.133 2.993 20 5 EFBDMM Cc1ncccc1-c1noc(-c2n[n-]c(C(F)(F)F)c2[N+](=O)[O-])n1 ZINC001212972919 1297325077 /nfs/dbraw/zinc/32/50/77/1297325077.db2.gz MDVDDBCZPHIMCF-UHFFFAOYSA-N -1 1 340.221 2.757 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(N)c(Cl)c1 ZINC001211288552 1314469909 /nfs/dbraw/zinc/46/99/09/1314469909.db2.gz XDMLJMFMUGATDC-UHFFFAOYSA-N -1 1 341.776 2.940 20 5 EFBDMM COc1ncc(Nc2cc3ccc([O-])cc3oc2=O)cc1[N+](=O)[O-] ZINC001210136166 1314285993 /nfs/dbraw/zinc/28/59/93/1314285993.db2.gz HAPZODSTQHQNAX-UHFFFAOYSA-N -1 1 329.268 2.554 20 5 EFBDMM O=[N+]([O-])c1cc(Nc2cccnc2OC2CCOCC2)ccc1[O-] ZINC001210392661 1314325367 /nfs/dbraw/zinc/32/53/67/1314325367.db2.gz GPSQPXKTGBOHAK-UHFFFAOYSA-N -1 1 331.328 2.997 20 5 EFBDMM Nc1c(F)cnc(Br)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393648 1314325437 /nfs/dbraw/zinc/32/54/37/1314325437.db2.gz XHAIEJDRSWHHEU-UHFFFAOYSA-N -1 1 343.112 2.923 20 5 EFBDMM Cc1ncc(Nc2ccc([O-])c([N+](=O)[O-])c2)nc1Br ZINC001210396538 1314325586 /nfs/dbraw/zinc/32/55/86/1314325586.db2.gz TZLYUGWCSILJDV-UHFFFAOYSA-N -1 1 325.122 2.905 20 5 EFBDMM Cc1cc(C)c(Nc2ccc(O)c([N+](=O)[O-])c2)c(S(=O)(=O)[O-])c1 ZINC001210397896 1314326253 /nfs/dbraw/zinc/32/62/53/1314326253.db2.gz HLEHTSHZLCHGNU-UHFFFAOYSA-N -1 1 338.341 2.908 20 5 EFBDMM Nc1cn(-c2ccc([O-])c([N+](=O)[O-])c2)c2nccc(Br)c12 ZINC001210396736 1314326264 /nfs/dbraw/zinc/32/62/64/1314326264.db2.gz YAEABSWZEWIKEG-UHFFFAOYSA-N -1 1 349.144 2.984 20 5 EFBDMM C[C@@]1(C(=O)[O-])CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000901697653 1310897540 /nfs/dbraw/zinc/89/75/40/1310897540.db2.gz CWENWDIWHSOGEA-OAHLLOKOSA-N -1 1 344.314 2.883 20 5 EFBDMM O=C(OCc1ccc([N+](=O)[O-])cc1F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780070975 1311053131 /nfs/dbraw/zinc/05/31/31/1311053131.db2.gz ATQYZUWZZVQHNR-UHFFFAOYSA-N -1 1 336.231 2.705 20 5 EFBDMM COc1cc(C)ccc1C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780072449 1311057196 /nfs/dbraw/zinc/05/71/96/1311057196.db2.gz QDAXPEWYILPVPL-UHFFFAOYSA-N -1 1 345.307 2.657 20 5 EFBDMM CCc1oc(C(=O)OC)cc1COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780076865 1311223460 /nfs/dbraw/zinc/22/34/60/1311223460.db2.gz XLUNXXAQIIWGAZ-UHFFFAOYSA-N -1 1 349.295 2.599 20 5 EFBDMM O=c1nc2nc[nH]c2c(Nc2ccc3ccc4cccnc4c3n2)[n-]1 ZINC001159191848 1311470242 /nfs/dbraw/zinc/47/02/42/1311470242.db2.gz FLBQVWIIPQCBGE-UHFFFAOYSA-N -1 1 329.323 2.899 20 5 EFBDMM CC(=O)c1ccc([O-])cc1O[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC001225619309 1311554944 /nfs/dbraw/zinc/55/49/44/1311554944.db2.gz SKQVZGULVDSIMB-AWEZNQCLSA-N -1 1 343.339 2.556 20 5 EFBDMM O=c1cc[n-]c(OC[C@@H]2CCC(c3ccccc3)=NO2)c1[N+](=O)[O-] ZINC001225664768 1311561794 /nfs/dbraw/zinc/56/17/94/1311561794.db2.gz SZALWZBACRKVED-LBPRGKRZSA-N -1 1 329.312 2.658 20 5 EFBDMM C[C@H](COc1ccccc1)OCCCOc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225663278 1311562009 /nfs/dbraw/zinc/56/20/09/1311562009.db2.gz BQUNIRYKVZLAMA-CYBMUJFWSA-N -1 1 348.355 2.948 20 5 EFBDMM CCOC(=O)c1cnc(=S)[n-]c1O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001228551042 1311963603 /nfs/dbraw/zinc/96/36/03/1311963603.db2.gz BYLLYGAZFNZXBH-VIFPVBQESA-N -1 1 349.368 2.990 20 5 EFBDMM C[C@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])c1cnccn1 ZINC001228860323 1312010988 /nfs/dbraw/zinc/01/09/88/1312010988.db2.gz TXMYIVQPBYAHCI-LURJTMIESA-N -1 1 330.222 2.644 20 5 EFBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1O[C@@H]1COc2cnccc21 ZINC001228859695 1312010998 /nfs/dbraw/zinc/01/09/98/1312010998.db2.gz NQPUPTLPRTZGML-SECBINFHSA-N -1 1 343.217 2.622 20 5 EFBDMM CC[C@@H]1OC(=O)C(Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])=C1C ZINC001228860652 1312011232 /nfs/dbraw/zinc/01/12/32/1312011232.db2.gz WSOQJAMYJFKJJZ-ZETCQYMHSA-N -1 1 348.233 2.702 20 5 EFBDMM C[C@@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])c1cncnc1 ZINC001228859504 1312011303 /nfs/dbraw/zinc/01/13/03/1312011303.db2.gz KJHMDFVCTOIBLC-ZCFIWIBFSA-N -1 1 330.222 2.644 20 5 EFBDMM O=c1ccc2c(O[C@H]3Cc4ccc([N+](=O)[O-])cc4C3)cc([O-])cc2o1 ZINC001229130172 1312051215 /nfs/dbraw/zinc/05/12/15/1312051215.db2.gz WFQGPJPCHPZZPX-AWEZNQCLSA-N -1 1 339.303 2.953 20 5 EFBDMM O=C1O[C@@H](COc2cc([N+](=O)[O-])ccc2[O-])CN1c1cccc(F)c1 ZINC001229398511 1312089268 /nfs/dbraw/zinc/08/92/68/1312089268.db2.gz UULVNRRQNXJLCA-CYBMUJFWSA-N -1 1 348.286 2.844 20 5 EFBDMM CCC(=O)c1ccc([O-])cc1O[C@@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001229475341 1312102169 /nfs/dbraw/zinc/10/21/69/1312102169.db2.gz UZVFJEUPZMPDID-JTQLQIEISA-N -1 1 333.344 2.866 20 5 EFBDMM O=C1CC[C@@H](COc2ccc3c(c2)oc2cc([O-])ccc2c3=O)O1 ZINC001229518790 1312109022 /nfs/dbraw/zinc/10/90/22/1312109022.db2.gz XNLGASVTJQXMMT-LBPRGKRZSA-N -1 1 326.304 2.736 20 5 EFBDMM Cc1cc([O-])c(O[C@@H]2CN(C(=O)OC(C)(C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC001229754140 1312133169 /nfs/dbraw/zinc/13/31/69/1312133169.db2.gz NFBCIPGPOXFRPC-IINYFYTJSA-N -1 1 338.360 2.995 20 5 EFBDMM Cc1cc([O-])c(O[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001229755160 1312133517 /nfs/dbraw/zinc/13/35/17/1312133517.db2.gz WXFZSIMSJROVGL-AWEZNQCLSA-N -1 1 342.351 2.789 20 5 EFBDMM COC(=O)C[C@@H](C)Oc1cc2c(cc1O)c(=O)oc1cc([O-])ccc12 ZINC001229803897 1312143027 /nfs/dbraw/zinc/14/30/27/1312143027.db2.gz SUCJAMRURGAJBU-SECBINFHSA-N -1 1 344.319 2.688 20 5 EFBDMM CCOC(=O)[C@H](C)Oc1cc2c(cc1O)c(=O)oc1cc([O-])ccc12 ZINC001229802867 1312143033 /nfs/dbraw/zinc/14/30/33/1312143033.db2.gz MAZDIFDYFIJSMB-VIFPVBQESA-N -1 1 344.319 2.688 20 5 EFBDMM Cc1cc([O-])c([N+](=O)[O-])c(OC[C@@H]2CCC(c3ccccc3)=NO2)n1 ZINC001231262883 1312466377 /nfs/dbraw/zinc/46/63/77/1312466377.db2.gz HRMXNRLBFJRSJG-ZDUSSCGKSA-N -1 1 343.339 2.966 20 5 EFBDMM Cc1cc([O-])c([N+](=O)[O-])c(OC[C@H]2CCC(c3ccccc3)=NO2)n1 ZINC001231262882 1312466512 /nfs/dbraw/zinc/46/65/12/1312466512.db2.gz HRMXNRLBFJRSJG-CYBMUJFWSA-N -1 1 343.339 2.966 20 5 EFBDMM Cc1ccc2c(ccnc2NCC[N-]C(=O)C(F)(F)F)c1[N+](=O)[O-] ZINC001164238034 1312475661 /nfs/dbraw/zinc/47/56/61/1312475661.db2.gz NITQWUJDINQXDQ-UHFFFAOYSA-N -1 1 342.277 2.542 20 5 EFBDMM CSc1nc(Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc(=O)[n-]1 ZINC001211293026 1314470197 /nfs/dbraw/zinc/47/01/97/1314470197.db2.gz WIPOEDNCXJGLKU-UHFFFAOYSA-N -1 1 337.317 2.773 20 5 EFBDMM Cc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1F ZINC000119377306 1314624199 /nfs/dbraw/zinc/62/41/99/1314624199.db2.gz HVPLGZYMYJZGRV-UHFFFAOYSA-N -1 1 330.362 2.582 20 5 EFBDMM CCCCc1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n[nH]1 ZINC000120049342 1314765158 /nfs/dbraw/zinc/76/51/58/1314765158.db2.gz RTSKGDVRANXJQU-UHFFFAOYSA-N -1 1 330.391 2.523 20 5 EFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)cs1 ZINC000120051654 1314765392 /nfs/dbraw/zinc/76/53/92/1314765392.db2.gz AIAZYIURDXAJLU-UHFFFAOYSA-N -1 1 342.402 2.838 20 5 EFBDMM O=c1c2ccc([O-])cc2oc2cc(O[C@H]3CNCC3(F)F)ccc12 ZINC001218234976 1315168364 /nfs/dbraw/zinc/16/83/64/1315168364.db2.gz IQTFHJNNZNPLKB-HNNXBMFYSA-N -1 1 333.290 2.638 20 5 EFBDMM O=[N+]([O-])c1ccc([O-])cc1-c1nc2ccc(N3CCOCC3)cc2[nH]1 ZINC001250854400 1315280134 /nfs/dbraw/zinc/28/01/34/1315280134.db2.gz SSHREWPYPUYLLT-UHFFFAOYSA-N -1 1 340.339 2.680 20 5 EFBDMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C ZINC001255473705 1315827837 /nfs/dbraw/zinc/82/78/37/1315827837.db2.gz ITYAIRVPDDTYNR-UHFFFAOYSA-N -1 1 344.780 2.643 20 5 EFBDMM O=[N+]([O-])c1ccc([N-]c2cnn(Cc3cccnc3)c2)c([N+](=O)[O-])c1 ZINC001321139402 1329348222 /nfs/dbraw/zinc/34/82/22/1329348222.db2.gz KFPRCOCGFNKJMX-UHFFFAOYSA-N -1 1 340.299 2.886 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1C=CCCC1 ZINC001324475843 1329631383 /nfs/dbraw/zinc/63/13/83/1329631383.db2.gz NRSIIFJUPWKHFD-MRVPVSSYSA-N -1 1 334.756 2.774 20 5 EFBDMM COC(=O)c1cc([N-]C(=O)c2ncc(Cl)s2)cc([N+](=O)[O-])c1 ZINC001324952384 1329662650 /nfs/dbraw/zinc/66/26/50/1329662650.db2.gz GDIOACVKOFBCHI-UHFFFAOYSA-N -1 1 341.732 2.744 20 5 EFBDMM CC1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC=CC1 ZINC000848468485 1334731985 /nfs/dbraw/zinc/73/19/85/1334731985.db2.gz VWMFLUPKPRLCHH-UHFFFAOYSA-N -1 1 334.756 2.774 20 5 EFBDMM Cc1ccc(Cl)c(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000822239949 1428260820 /nfs/dbraw/zinc/26/08/20/1428260820.db2.gz LTDXBZASDIGNJK-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H]2Cc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823639874 1428657065 /nfs/dbraw/zinc/65/70/65/1428657065.db2.gz KENZQZYZVASCNW-BLLLJJGKSA-N -1 1 336.355 2.818 20 5 EFBDMM CCc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1C ZINC000825717467 1428711457 /nfs/dbraw/zinc/71/14/57/1428711457.db2.gz MHCYPUVWTLRELT-UHFFFAOYSA-N -1 1 325.332 2.784 20 5 EFBDMM Cc1cccc(OCc2ccc(F)cc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000826300284 1429354532 /nfs/dbraw/zinc/35/45/32/1429354532.db2.gz OGRZCGGXOGSVJK-UHFFFAOYSA-N -1 1 329.291 2.801 20 5 EFBDMM CC[C@H](c1ccncc1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736397832 1429369489 /nfs/dbraw/zinc/36/94/89/1429369489.db2.gz WETPTIJFSZOTKW-CYBMUJFWSA-N -1 1 339.359 2.757 20 5 EFBDMM COc1ccc(-c2nnn[n-]2)cc1COc1ccc([N+](=O)[O-])cc1F ZINC000821749383 1429606047 /nfs/dbraw/zinc/60/60/47/1429606047.db2.gz JFUFKBMTUGIFOT-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM O=[N+]([O-])c1cc(F)cc(OCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000823634435 1423456826 /nfs/dbraw/zinc/45/68/26/1423456826.db2.gz FJKYYXNEJUJWKB-UHFFFAOYSA-N -1 1 333.254 2.632 20 5 EFBDMM O=[N+]([O-])c1ccc2nc(N[C@H]3CC=CCC3)cc(-c3nnn[n-]3)c2c1 ZINC000823643755 1424058432 /nfs/dbraw/zinc/05/84/32/1424058432.db2.gz AIPPXSAWSBJHEG-JTQLQIEISA-N -1 1 337.343 2.844 20 5 EFBDMM CC(C)[C@H]1CCC[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820038785 1424092782 /nfs/dbraw/zinc/09/27/82/1424092782.db2.gz RRZMJTWUDAOUON-QWRGUYRKSA-N -1 1 331.380 2.797 20 5 EFBDMM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738191880 1424388138 /nfs/dbraw/zinc/38/81/38/1424388138.db2.gz NBEBHJHCWTVJDI-UHFFFAOYSA-N -1 1 344.718 2.681 20 5 EFBDMM CC[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC000820907503 1429728057 /nfs/dbraw/zinc/72/80/57/1429728057.db2.gz DKKZBJAKEVRPOJ-LLVKDONJSA-N -1 1 339.359 2.776 20 5 EFBDMM COc1ccc(-c2nnn[n-]2)cc1NCc1cccc([N+](=O)[O-])c1C ZINC000737063316 1424970084 /nfs/dbraw/zinc/97/00/84/1424970084.db2.gz WAEDJYKIDXFLAH-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM Cc1ccc([C@H](C)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000822228671 1425142088 /nfs/dbraw/zinc/14/20/88/1425142088.db2.gz BYHYBADZASZPTN-LLVKDONJSA-N -1 1 339.359 2.694 20 5 EFBDMM O=[N+]([O-])c1ccc(Cl)cc1CNCc1cccc(-c2nnn[n-]2)c1 ZINC000738360541 1425747641 /nfs/dbraw/zinc/74/76/41/1425747641.db2.gz QRCHUOHVLHXREN-UHFFFAOYSA-N -1 1 344.762 2.718 20 5 EFBDMM Cc1cc([N+](=O)[O-])cnc1Oc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826272529 1425941929 /nfs/dbraw/zinc/94/19/29/1425941929.db2.gz OJGIIPRMIMFCTI-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822270919 1425994425 /nfs/dbraw/zinc/99/44/25/1425994425.db2.gz CYHZWPSXKXQARF-UHFFFAOYSA-N -1 1 328.307 2.835 20 5 EFBDMM CS[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000737178926 1426145158 /nfs/dbraw/zinc/14/51/58/1426145158.db2.gz GBRVFKKRJJQXQM-WDEREUQCSA-N -1 1 334.405 2.861 20 5 EFBDMM CCS[C@H]1CCC[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821454891 1426910487 /nfs/dbraw/zinc/91/04/87/1426910487.db2.gz HLXNVNRJKCRIBR-UWVGGRQHSA-N -1 1 349.420 2.646 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H]2CCOC3(CCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000823639883 1426994917 /nfs/dbraw/zinc/99/49/17/1426994917.db2.gz KKWHGNIEKDFLQR-LLVKDONJSA-N -1 1 344.375 2.679 20 5 EFBDMM Cc1cc(C)c(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(C)c1 ZINC000822194466 1427031522 /nfs/dbraw/zinc/03/15/22/1427031522.db2.gz YMOAZYVWLZVOGG-UHFFFAOYSA-N -1 1 339.359 2.707 20 5 EFBDMM Cc1ccc([C@@H](C)Nc2nccc(C)c2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826284569 1427552655 /nfs/dbraw/zinc/55/26/55/1427552655.db2.gz YBYMIFICBUSEIF-LLVKDONJSA-N -1 1 339.359 2.960 20 5 EFBDMM C[C@H](OC(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000820512258 1427571794 /nfs/dbraw/zinc/57/17/94/1427571794.db2.gz ILONXYWZICHHMK-JTQLQIEISA-N -1 1 339.311 2.693 20 5 EFBDMM O=[N+]([O-])c1cc(F)cc(OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000823634200 1427721704 /nfs/dbraw/zinc/72/17/04/1427721704.db2.gz CNMYHGSZRGSXDJ-UHFFFAOYSA-N -1 1 333.254 2.632 20 5 EFBDMM C[C@H]1CC(C)(C)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820648600 1427847640 /nfs/dbraw/zinc/84/76/40/1427847640.db2.gz CUJNPNYMXBMQPK-CABZTGNLSA-N -1 1 331.380 2.797 20 5 EFBDMM O=[N+]([O-])c1cnc(Sc2cc(F)ccc2F)c(-c2nnn[n-]2)c1 ZINC000823652316 1427908409 /nfs/dbraw/zinc/90/84/09/1427908409.db2.gz ZRARLPRQCKTAMU-UHFFFAOYSA-N -1 1 336.283 2.599 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1cccc(Cl)c1 ZINC000823630237 1427930170 /nfs/dbraw/zinc/93/01/70/1427930170.db2.gz SSCZGICYFGIUCL-UHFFFAOYSA-N -1 1 334.748 2.975 20 5 EFBDMM CO[C@@H](C)c1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000736962152 1428105010 /nfs/dbraw/zinc/10/50/10/1428105010.db2.gz NIXKGPRWSLLOHA-VIFPVBQESA-N -1 1 341.331 2.621 20 5 EFBDMM Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC000822254585 1429886652 /nfs/dbraw/zinc/88/66/52/1429886652.db2.gz NMDWTKROJHSPJI-UHFFFAOYSA-N -1 1 328.307 2.835 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000737113994 1429969962 /nfs/dbraw/zinc/96/99/62/1429969962.db2.gz ANSAQVHVFBNSKB-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM COc1ccc(-c2nnn[n-]2)cc1COc1cc([N+](=O)[O-])ccc1C ZINC000821749746 1430010432 /nfs/dbraw/zinc/01/04/32/1430010432.db2.gz WHRXRCVXJZLMSB-UHFFFAOYSA-N -1 1 341.327 2.671 20 5 EFBDMM Cc1ccc(C[C@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)s1 ZINC000737335332 1441432540 /nfs/dbraw/zinc/43/25/40/1441432540.db2.gz SBZPMIWSOQPFHX-QMMMGPOBSA-N -1 1 345.388 2.583 20 5 EFBDMM COc1ccc(COc2cc(-c3nnn[n-]3)ccc2C)cc1[N+](=O)[O-] ZINC000821824494 1441501121 /nfs/dbraw/zinc/50/11/21/1441501121.db2.gz KRFHDCQHKITZRZ-UHFFFAOYSA-N -1 1 341.327 2.671 20 5 EFBDMM CCS[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821456661 1441561743 /nfs/dbraw/zinc/56/17/43/1441561743.db2.gz RNZKMWYKLRHWAS-STQMWFEESA-N -1 1 334.405 2.861 20 5 EFBDMM COc1ccc(-c2nnn[n-]2)cc1COc1ccc([N+](=O)[O-])c(C)c1 ZINC000821749762 1441669720 /nfs/dbraw/zinc/66/97/20/1441669720.db2.gz WZQVJPRCWORBBK-UHFFFAOYSA-N -1 1 341.327 2.671 20 5 EFBDMM COc1cc(NCc2cc(-c3nnn[n-]3)ccc2F)ccc1[N+](=O)[O-] ZINC000821719312 1441817063 /nfs/dbraw/zinc/81/70/63/1441817063.db2.gz BAUJXTMNIJYGBV-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc([N+](=O)[O-])s1 ZINC000826254463 1442001921 /nfs/dbraw/zinc/00/19/21/1442001921.db2.gz MPIHCAJNXSWANV-UHFFFAOYSA-N -1 1 345.340 2.502 20 5 EFBDMM Cc1cc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1F ZINC000822191147 1442018781 /nfs/dbraw/zinc/01/87/81/1442018781.db2.gz GJUBEEZZYXFJQC-SECBINFHSA-N -1 1 343.322 2.791 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1ccc(Cl)cc1 ZINC000823630493 1442051844 /nfs/dbraw/zinc/05/18/44/1442051844.db2.gz YFGGFELDBLZDNE-UHFFFAOYSA-N -1 1 334.748 2.975 20 5 EFBDMM COc1ccc(-c2nnn[n-]2)cc1COc1ccc(C)cc1[N+](=O)[O-] ZINC000821749505 1442178223 /nfs/dbraw/zinc/17/82/23/1442178223.db2.gz POZHUBNSSZDDBZ-UHFFFAOYSA-N -1 1 341.327 2.671 20 5 EFBDMM COc1cc(COc2cc(-c3nnn[n-]3)ccc2C)ccc1[N+](=O)[O-] ZINC000826179825 1442489596 /nfs/dbraw/zinc/48/95/96/1442489596.db2.gz GLSFZUNRRJHQDU-UHFFFAOYSA-N -1 1 341.327 2.671 20 5 EFBDMM O=[N+]([O-])c1ccc(OCc2ccc(F)c(-c3nnn[n-]3)c2)c(F)c1 ZINC000823645959 1442494692 /nfs/dbraw/zinc/49/46/92/1442494692.db2.gz XRKFUKDONYDCJK-UHFFFAOYSA-N -1 1 333.254 2.632 20 5 EFBDMM CCCO[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000736489664 1443072931 /nfs/dbraw/zinc/07/29/31/1443072931.db2.gz ZELOTSGZAZGHKN-ZDUSSCGKSA-N -1 1 346.391 2.560 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000822270840 1443075183 /nfs/dbraw/zinc/07/51/83/1443075183.db2.gz ABMWKZCMBDHIJB-UHFFFAOYSA-N -1 1 338.327 2.644 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(Oc2cccc(F)c2-c2nnn[n-]2)c(F)c1 ZINC000826498403 1443080344 /nfs/dbraw/zinc/08/03/44/1443080344.db2.gz SQTYVJUDICOPEA-UHFFFAOYSA-N -1 1 337.217 2.985 20 5 EFBDMM CC(C)N(Cc1ccc(-c2nn[n-]n2)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC000824297697 1443228544 /nfs/dbraw/zinc/22/85/44/1443228544.db2.gz ZDMYGKDWEDPUDO-UHFFFAOYSA-N -1 1 342.359 2.779 20 5 EFBDMM CC(C)N(Cc1ccc(-c2nnn[n-]2)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC000824297697 1443228547 /nfs/dbraw/zinc/22/85/47/1443228547.db2.gz ZDMYGKDWEDPUDO-UHFFFAOYSA-N -1 1 342.359 2.779 20 5 EFBDMM O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826457050 1443230768 /nfs/dbraw/zinc/23/07/68/1443230768.db2.gz JZIRJXAOOURPKE-UHFFFAOYSA-N -1 1 344.718 2.681 20 5 EFBDMM CC(C)C1CCC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000820039482 1443276491 /nfs/dbraw/zinc/27/64/91/1443276491.db2.gz XOGQUYIDRXKHPF-UHFFFAOYSA-N -1 1 331.380 2.797 20 5 EFBDMM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccc(O)c1 ZINC000736137225 1443333094 /nfs/dbraw/zinc/33/30/94/1443333094.db2.gz IWZANNUAVDXFJG-VIFPVBQESA-N -1 1 326.316 2.654 20 5 EFBDMM C[C@@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000820462305 1443452215 /nfs/dbraw/zinc/45/22/15/1443452215.db2.gz XCZBGNTXTHTXFP-MRVPVSSYSA-N -1 1 345.750 2.996 20 5 EFBDMM CCN(CCC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736536719 1443499669 /nfs/dbraw/zinc/49/96/69/1443499669.db2.gz GHZLZACLXAEQKQ-UHFFFAOYSA-N -1 1 330.270 2.554 20 5 EFBDMM CCS[C@H]1CCC[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821454897 1443987104 /nfs/dbraw/zinc/98/71/04/1443987104.db2.gz HLXNVNRJKCRIBR-ZJUUUORDSA-N -1 1 349.420 2.646 20 5 EFBDMM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1Cl ZINC000820461562 1446166643 /nfs/dbraw/zinc/16/66/43/1446166643.db2.gz MIGWGXZQHFWQGL-QMMMGPOBSA-N -1 1 345.750 2.996 20 5 EFBDMM O=[N+]([O-])c1cnc(N2CCC[C@@H]2c2cccs2)c(-c2nnn[n-]2)c1 ZINC000823646873 1446401237 /nfs/dbraw/zinc/40/12/37/1446401237.db2.gz BSWSATWIDQGHDC-LLVKDONJSA-N -1 1 343.372 2.573 20 5 EFBDMM O=[N+]([O-])c1cc(NCCc2ccccc2F)ccc1-c1nnn[n-]1 ZINC000823634725 1446485047 /nfs/dbraw/zinc/48/50/47/1446485047.db2.gz KPMRSGUFHKOLMI-UHFFFAOYSA-N -1 1 328.307 2.569 20 5 EFBDMM C[C@H]1CC(C)(C)CC[C@@H]1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820650969 1446628557 /nfs/dbraw/zinc/62/85/57/1446628557.db2.gz ZOIICMJSXVBOHS-ONGXEEELSA-N -1 1 331.380 2.797 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCc2c1cccc2Cl ZINC000823620298 1446640786 /nfs/dbraw/zinc/64/07/86/1446640786.db2.gz JTITVDIXQCJQCO-UHFFFAOYSA-N -1 1 343.734 2.518 20 5 EFBDMM CCC[C@H](C)N(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821015908 1446709638 /nfs/dbraw/zinc/70/96/38/1446709638.db2.gz SOUZKDSGXPICRU-JTQLQIEISA-N -1 1 341.375 2.948 20 5 EFBDMM CC[C@@H](c1ccncc1)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736395823 1446832294 /nfs/dbraw/zinc/83/22/94/1446832294.db2.gz IYSKKSOFPUAJRJ-AWEZNQCLSA-N -1 1 339.359 2.757 20 5 EFBDMM CCCCCN(CCCOC)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825275957 1447143406 /nfs/dbraw/zinc/14/34/06/1447143406.db2.gz JKVMEESMHAZPHI-UHFFFAOYSA-N -1 1 348.407 2.808 20 5 EFBDMM Cc1ccc([C@H](C)Nc2ncccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822228942 1449040009 /nfs/dbraw/zinc/04/00/09/1449040009.db2.gz JBGZXMNSMVTCJA-JTQLQIEISA-N -1 1 325.332 2.651 20 5 EFBDMM C[C@@H]1C[C@H](C)CN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820659694 1449518031 /nfs/dbraw/zinc/51/80/31/1449518031.db2.gz ZTLWWVVRNLZUAM-VHSXEESVSA-N -1 1 339.359 2.558 20 5 EFBDMM C[C@@H]1C[C@H]2CCCC[C@H]2N1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736237160 1449570814 /nfs/dbraw/zinc/57/08/14/1449570814.db2.gz NSOVGXGTSBAJRE-JTNHKYCSSA-N -1 1 328.376 2.932 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000823629690 1449775502 /nfs/dbraw/zinc/77/55/02/1449775502.db2.gz FACZTTQEVUDPQO-XOKHGSTOSA-N -1 1 348.366 2.915 20 5 EFBDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Oc1cccc([N+](=O)[O-])c1C ZINC000826252926 1450123221 /nfs/dbraw/zinc/12/32/21/1450123221.db2.gz YLNFTNIZYJXTFI-UHFFFAOYSA-N -1 1 339.311 2.611 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCCNc1ccccc1 ZINC000738360347 1450139531 /nfs/dbraw/zinc/13/95/31/1450139531.db2.gz VTCVLMVSFKCTHX-UHFFFAOYSA-N -1 1 339.359 2.689 20 5 EFBDMM Cc1cc([N+](=O)[O-])ccc1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000826272688 1450178251 /nfs/dbraw/zinc/17/82/51/1450178251.db2.gz WSESJIKKVMNORA-UHFFFAOYSA-N -1 1 329.291 2.801 20 5 EFBDMM Cc1cnc(Sc2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])c1 ZINC000822399224 1450481849 /nfs/dbraw/zinc/48/18/49/1450481849.db2.gz CPMQBIFKHCHNRG-UHFFFAOYSA-N -1 1 332.320 2.769 20 5 EFBDMM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc(F)c1F ZINC000120218486 713012047 /nfs/dbraw/zinc/01/20/47/713012047.db2.gz HZHBCFCCBTZBSK-SSDOTTSWSA-N -1 1 348.352 2.974 20 5 EFBDMM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC000866876988 717330220 /nfs/dbraw/zinc/33/02/20/717330220.db2.gz VTZXJKRDZILXLU-JTQLQIEISA-N -1 1 348.396 2.524 20 5 EFBDMM CC(C)c1ncc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Cl)[n-]1 ZINC000122628972 719551751 /nfs/dbraw/zinc/55/17/51/719551751.db2.gz VLIHLZOXINXAFQ-UHFFFAOYSA-N -1 1 345.764 2.862 20 5 EFBDMM CC(C)c1nc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Cl)c[n-]1 ZINC000122628972 719551755 /nfs/dbraw/zinc/55/17/55/719551755.db2.gz VLIHLZOXINXAFQ-UHFFFAOYSA-N -1 1 345.764 2.862 20 5 EFBDMM CS[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC000866886137 719763669 /nfs/dbraw/zinc/76/36/69/719763669.db2.gz XQHKAJASZDJQTQ-NXEZZACHSA-N -1 1 348.421 2.605 20 5 EFBDMM O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000917991676 728814894 /nfs/dbraw/zinc/81/48/94/728814894.db2.gz RLNXFKAIZKRSEP-UHFFFAOYSA-N -1 1 348.746 2.955 20 5 EFBDMM Cc1cc(C)n(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)n1 ZINC000918010469 728818236 /nfs/dbraw/zinc/81/82/36/728818236.db2.gz OJAGNILARCTUGB-UHFFFAOYSA-N -1 1 325.328 2.978 20 5 EFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCOC(C)(C)C)cc1F ZINC000867513509 723893430 /nfs/dbraw/zinc/89/34/30/723893430.db2.gz HYXHMCKWIFFCDP-UHFFFAOYSA-N -1 1 348.396 2.526 20 5 EFBDMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)c([N+](=O)[O-])c1 ZINC000174651519 725517128 /nfs/dbraw/zinc/51/71/28/725517128.db2.gz BTFOPGFDKZPFCI-UHFFFAOYSA-N -1 1 328.296 2.982 20 5 EFBDMM CN(C)C(=O)Sc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000731437283 726864173 /nfs/dbraw/zinc/86/41/73/726864173.db2.gz OKFNPGBYLQIDSQ-UHFFFAOYSA-N -1 1 334.357 2.949 20 5 EFBDMM C[C@@H](CN(C)Cc1cc(Br)c([N+](=O)[O-])s1)C(=O)[O-] ZINC000901595760 728019981 /nfs/dbraw/zinc/01/99/81/728019981.db2.gz BXSMEEVFLGSNSQ-LURJTMIESA-N -1 1 337.195 2.571 20 5 EFBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccn1 ZINC000170655217 728461602 /nfs/dbraw/zinc/46/16/02/728461602.db2.gz JGAIERRWBMOLGT-SECBINFHSA-N -1 1 341.776 2.683 20 5 EFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccsc1 ZINC000170662418 728463871 /nfs/dbraw/zinc/46/38/71/728463871.db2.gz BGPCTHVRSIPMJF-UHFFFAOYSA-N -1 1 332.790 2.788 20 5 EFBDMM COc1ccccc1SCC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000921265166 729281651 /nfs/dbraw/zinc/28/16/51/729281651.db2.gz RNAFTSSOJSQAEB-UHFFFAOYSA-N -1 1 346.364 2.652 20 5 EFBDMM C[C@@]1(C(=O)[O-])CCCN1Cc1ccc([N+](=O)[O-])cc1Br ZINC000079486985 949005456 /nfs/dbraw/zinc/00/54/56/949005456.db2.gz AFTFODBEURICPG-ZDUSSCGKSA-N -1 1 343.177 2.796 20 5 EFBDMM O=C([O-])[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000901415578 956305074 /nfs/dbraw/zinc/30/50/74/956305074.db2.gz LCJLJGSRYULPDC-JTQLQIEISA-N -1 1 332.278 2.910 20 5 EFBDMM COc1cc([N+](=O)[O-])ccc1CN[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594068023 958159696 /nfs/dbraw/zinc/15/96/96/958159696.db2.gz SSNMDEGMKUGPHA-HNNXBMFYSA-N -1 1 334.303 2.658 20 5 EFBDMM CC[C@H](C(=O)[O-])N(C)Cc1cccc([N+](=O)[O-])c1Br ZINC000233880321 967748544 /nfs/dbraw/zinc/74/85/44/967748544.db2.gz VXMFEBTVSMGAOQ-SECBINFHSA-N -1 1 331.166 2.652 20 5 EFBDMM COc1cc(CN2CCCC[C@@H]2CC(=O)[O-])c([N+](=O)[O-])cc1F ZINC001604709612 973912556 /nfs/dbraw/zinc/91/25/56/973912556.db2.gz ZWSAZTRNQFOORH-LLVKDONJSA-N -1 1 326.324 2.572 20 5 EFBDMM C[C@@](CC(=O)[O-])(NCc1ccc([N+](=O)[O-])c(F)c1)c1ccncc1 ZINC001592327556 977741882 /nfs/dbraw/zinc/74/18/82/977741882.db2.gz CMZHHTKMGFVXIM-INIZCTEOSA-N -1 1 333.319 2.609 20 5 EFBDMM CC[C@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccncc1 ZINC001595301328 980436872 /nfs/dbraw/zinc/43/68/72/980436872.db2.gz XCTLDAXYCMVSDE-AWEZNQCLSA-N -1 1 345.355 2.694 20 5 EFBDMM CCCN(CC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1Br ZINC000923229493 982851306 /nfs/dbraw/zinc/85/13/06/982851306.db2.gz GVUXDSFGUGNQOG-UHFFFAOYSA-N -1 1 331.166 2.654 20 5 EFBDMM CN1Cc2ccccc2[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001598630389 994164979 /nfs/dbraw/zinc/16/49/79/994164979.db2.gz GXKGNTRIBDZQLE-OAHLLOKOSA-N -1 1 327.340 2.892 20 5 EFBDMM C[C@H](NCC(=O)Nc1cccc(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC001593236804 994408847 /nfs/dbraw/zinc/40/88/47/994408847.db2.gz JNXFRGXYTJOEAN-NSHDSACASA-N -1 1 343.339 2.582 20 5 EFBDMM COc1cccc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1F ZINC001599673026 994847822 /nfs/dbraw/zinc/84/78/22/994847822.db2.gz FOINSJNTFURNKW-KRWDZBQOSA-N -1 1 348.330 2.832 20 5 EFBDMM C[C@H]1CC[C@@](NCc2cccnc2[N+](=O)[O-])(C(=O)[O-])c2ccccc21 ZINC001594319972 999229717 /nfs/dbraw/zinc/22/97/17/999229717.db2.gz HNSXSXGULVGPET-SGTLLEGYSA-N -1 1 341.367 2.957 20 5 EFBDMM CCN(CCc1ccccc1)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001578170854 1090288372 /nfs/dbraw/zinc/28/83/72/1090288372.db2.gz CZHATBGWOWWKJM-UHFFFAOYSA-N -1 1 344.400 2.905 20 5 EFBDMM CCN(CCc1ccccc1)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001578170854 1090288377 /nfs/dbraw/zinc/28/83/77/1090288377.db2.gz CZHATBGWOWWKJM-UHFFFAOYSA-N -1 1 344.400 2.905 20 5 EFBDMM Cc1cc2n[nH]cc2cc1Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001581044834 1091065305 /nfs/dbraw/zinc/06/53/05/1091065305.db2.gz RIDALFQKCPCMGV-UHFFFAOYSA-N -1 1 336.315 2.703 20 5 EFBDMM O=[N+]([O-])c1c(NC[C@@H]2CCc3ccccc32)cccc1-c1nnn[n-]1 ZINC001582801606 1091667369 /nfs/dbraw/zinc/66/73/69/1091667369.db2.gz BECLKCKVPARFAF-LBPRGKRZSA-N -1 1 336.355 2.917 20 5 EFBDMM O=[N+]([O-])c1c(NC[C@@H]2CCc3ccccc32)cccc1-c1nn[n-]n1 ZINC001582801606 1091667374 /nfs/dbraw/zinc/66/73/74/1091667374.db2.gz BECLKCKVPARFAF-LBPRGKRZSA-N -1 1 336.355 2.917 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(OCc2ccc(-c3nnn[n-]3)o2)c(Cl)c1 ZINC001582803707 1091669224 /nfs/dbraw/zinc/66/92/24/1091669224.db2.gz RLJNCSZMFOGWSP-UHFFFAOYSA-N -1 1 339.670 2.739 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(OCc2ccc(-c3nn[n-]n3)o2)c(Cl)c1 ZINC001582803707 1091669228 /nfs/dbraw/zinc/66/92/28/1091669228.db2.gz RLJNCSZMFOGWSP-UHFFFAOYSA-N -1 1 339.670 2.739 20 5 EFBDMM CC(C)(C)OC[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589198227 1093045339 /nfs/dbraw/zinc/04/53/39/1093045339.db2.gz AWCAFFWIKMBMBT-LBPRGKRZSA-N -1 1 346.391 2.559 20 5 EFBDMM CC(C)(C)OC[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001589198227 1093045348 /nfs/dbraw/zinc/04/53/48/1093045348.db2.gz AWCAFFWIKMBMBT-LBPRGKRZSA-N -1 1 346.391 2.559 20 5 EFBDMM CC(C)(C)OC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001589199084 1093046995 /nfs/dbraw/zinc/04/69/95/1093046995.db2.gz VYZJZOJREVLDET-LBPRGKRZSA-N -1 1 346.391 2.559 20 5 EFBDMM C[C@@H](CCSc1ccccc1)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001589835276 1093156018 /nfs/dbraw/zinc/15/60/18/1093156018.db2.gz QJDFBKPCWGEDPW-JTQLQIEISA-N -1 1 345.388 2.715 20 5 EFBDMM C[C@H](CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)CC(F)(F)F ZINC001589877211 1093163212 /nfs/dbraw/zinc/16/32/12/1093163212.db2.gz RNAPUALMWSWCAB-ZETCQYMHSA-N -1 1 330.270 2.775 20 5 EFBDMM C[C@H](CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)CC(F)(F)F ZINC001589877211 1093163218 /nfs/dbraw/zinc/16/32/18/1093163218.db2.gz RNAPUALMWSWCAB-ZETCQYMHSA-N -1 1 330.270 2.775 20 5 EFBDMM C[C@@H](Cc1ccccc1F)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001589899113 1093173024 /nfs/dbraw/zinc/17/30/24/1093173024.db2.gz DXYGXECYMMFVOU-JTQLQIEISA-N -1 1 342.334 2.957 20 5 EFBDMM C[C@@H](c1cccc(O)c1)N(C)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590051000 1093244753 /nfs/dbraw/zinc/24/47/53/1093244753.db2.gz KNCTXGMMWVBIDF-QMMMGPOBSA-N -1 1 346.372 2.739 20 5 EFBDMM C[C@@H](c1cccc(O)c1)N(C)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590051000 1093244764 /nfs/dbraw/zinc/24/47/64/1093244764.db2.gz KNCTXGMMWVBIDF-QMMMGPOBSA-N -1 1 346.372 2.739 20 5 EFBDMM CC1(C2CC2)CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC001590121981 1093276762 /nfs/dbraw/zinc/27/67/62/1093276762.db2.gz JVQFOKURWDNZMW-UHFFFAOYSA-N -1 1 328.376 2.791 20 5 EFBDMM C[C@H]1C[C@H](CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC001590187506 1093296646 /nfs/dbraw/zinc/29/66/46/1093296646.db2.gz LWALFEVYYXZYAL-URLYPYJESA-N -1 1 331.380 2.654 20 5 EFBDMM C[C@H]1C[C@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC001590187506 1093296653 /nfs/dbraw/zinc/29/66/53/1093296653.db2.gz LWALFEVYYXZYAL-URLYPYJESA-N -1 1 331.380 2.654 20 5 EFBDMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C[C@H](C)C1(F)F ZINC001590314965 1093373810 /nfs/dbraw/zinc/37/38/10/1093373810.db2.gz VDIIRTWUJWZZLZ-DTORHVGOSA-N -1 1 338.318 2.502 20 5 EFBDMM C/C=C\CNc1cc(NC/C=C\C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590352946 1093388143 /nfs/dbraw/zinc/38/81/43/1093388143.db2.gz DPDVVSHJSKCOAX-GLIMQPGKSA-N -1 1 329.364 2.751 20 5 EFBDMM C/C=C\CNc1cc(NC/C=C\C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590352946 1093388151 /nfs/dbraw/zinc/38/81/51/1093388151.db2.gz DPDVVSHJSKCOAX-GLIMQPGKSA-N -1 1 329.364 2.751 20 5 EFBDMM CC[C@@H](C)CON=c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001590409659 1093409925 /nfs/dbraw/zinc/40/99/25/1093409925.db2.gz IVPWRLZVPROMET-SECBINFHSA-N -1 1 343.347 2.713 20 5 EFBDMM CCC(F)(F)C(C)(C)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590451610 1093426808 /nfs/dbraw/zinc/42/68/08/1093426808.db2.gz JNUHIDCOHJLJNH-UHFFFAOYSA-N -1 1 341.322 2.653 20 5 EFBDMM CCC(F)(F)C(C)(C)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590451610 1093426813 /nfs/dbraw/zinc/42/68/13/1093426813.db2.gz JNUHIDCOHJLJNH-UHFFFAOYSA-N -1 1 341.322 2.653 20 5 EFBDMM CC[C@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC001590472943 1093445989 /nfs/dbraw/zinc/44/59/89/1093445989.db2.gz XCCBGMINWSXKOT-WPRPVWTQSA-N -1 1 338.393 2.596 20 5 EFBDMM CC[C@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC001590472943 1093445994 /nfs/dbraw/zinc/44/59/94/1093445994.db2.gz XCCBGMINWSXKOT-WPRPVWTQSA-N -1 1 338.393 2.596 20 5 EFBDMM CCC[C@@]1(C)CCCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001590564674 1093491551 /nfs/dbraw/zinc/49/15/51/1093491551.db2.gz YELJZZRENFAYHN-INIZCTEOSA-N -1 1 345.407 2.764 20 5 EFBDMM CCC[C@@]1(C)CCCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001590564674 1093491559 /nfs/dbraw/zinc/49/15/59/1093491559.db2.gz YELJZZRENFAYHN-INIZCTEOSA-N -1 1 345.407 2.764 20 5 EFBDMM CCCCn1ncc(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1C ZINC001590616029 1093517448 /nfs/dbraw/zinc/51/74/48/1093517448.db2.gz MLJGRGPFSHETLR-UHFFFAOYSA-N -1 1 342.363 2.824 20 5 EFBDMM CCCCn1ncc(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1C ZINC001590616029 1093517454 /nfs/dbraw/zinc/51/74/54/1093517454.db2.gz MLJGRGPFSHETLR-UHFFFAOYSA-N -1 1 342.363 2.824 20 5 EFBDMM CCCO[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001590640572 1093528473 /nfs/dbraw/zinc/52/84/73/1093528473.db2.gz GLSQAPZULBZGJL-GFCCVEGCSA-N -1 1 346.391 2.560 20 5 EFBDMM CCCO[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001590640572 1093528479 /nfs/dbraw/zinc/52/84/79/1093528479.db2.gz GLSQAPZULBZGJL-GFCCVEGCSA-N -1 1 346.391 2.560 20 5 EFBDMM CCCO[C@H]1CCCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001590640573 1093529146 /nfs/dbraw/zinc/52/91/46/1093529146.db2.gz GLSQAPZULBZGJL-LBPRGKRZSA-N -1 1 346.391 2.560 20 5 EFBDMM CCCO[C@H]1CCCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001590640573 1093529149 /nfs/dbraw/zinc/52/91/49/1093529149.db2.gz GLSQAPZULBZGJL-LBPRGKRZSA-N -1 1 346.391 2.560 20 5 EFBDMM CCO[C@@H](CCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])C(C)C ZINC001590783686 1093567021 /nfs/dbraw/zinc/56/70/21/1093567021.db2.gz FCUDLAVNBUFBJH-JTQLQIEISA-N -1 1 340.409 2.700 20 5 EFBDMM CCO[C@@H](CCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])C(C)C ZINC001590783686 1093567024 /nfs/dbraw/zinc/56/70/24/1093567024.db2.gz FCUDLAVNBUFBJH-JTQLQIEISA-N -1 1 340.409 2.700 20 5 EFBDMM CCOc1ccccc1CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590842775 1093595603 /nfs/dbraw/zinc/59/56/03/1093595603.db2.gz LBFDTWJTBMAEGH-UHFFFAOYSA-N -1 1 346.372 2.847 20 5 EFBDMM CCOc1ccccc1CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590842775 1093595610 /nfs/dbraw/zinc/59/56/10/1093595610.db2.gz LBFDTWJTBMAEGH-UHFFFAOYSA-N -1 1 346.372 2.847 20 5 EFBDMM CCS[C@@H]1CCC[C@@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590850855 1093598035 /nfs/dbraw/zinc/59/80/35/1093598035.db2.gz PVTGEYYDDBOZNY-IONNQARKSA-N -1 1 340.434 2.923 20 5 EFBDMM CCS[C@@H]1CCC[C@@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590850855 1093598047 /nfs/dbraw/zinc/59/80/47/1093598047.db2.gz PVTGEYYDDBOZNY-IONNQARKSA-N -1 1 340.434 2.923 20 5 EFBDMM CCc1ccc(CN(C)c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC001590889778 1093617818 /nfs/dbraw/zinc/61/78/18/1093617818.db2.gz ZGOHOEBXHGHCCE-UHFFFAOYSA-N -1 1 338.371 2.974 20 5 EFBDMM CCc1ccc(CN(C)c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC001590889778 1093617821 /nfs/dbraw/zinc/61/78/21/1093617821.db2.gz ZGOHOEBXHGHCCE-UHFFFAOYSA-N -1 1 338.371 2.974 20 5 EFBDMM COC1(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCCCC1 ZINC001591342092 1093698103 /nfs/dbraw/zinc/69/81/03/1093698103.db2.gz AKSAVCOKSUBHEC-UHFFFAOYSA-N -1 1 338.393 2.598 20 5 EFBDMM COC1(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCCCC1 ZINC001591342092 1093698105 /nfs/dbraw/zinc/69/81/05/1093698105.db2.gz AKSAVCOKSUBHEC-UHFFFAOYSA-N -1 1 338.393 2.598 20 5 EFBDMM COC[C@H](CC(C)(C)C)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591373988 1093709503 /nfs/dbraw/zinc/70/95/03/1093709503.db2.gz CAZLTWZHCZZLST-NSHDSACASA-N -1 1 334.380 2.638 20 5 EFBDMM COCCC(C)(C)CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591398560 1093714077 /nfs/dbraw/zinc/71/40/77/1093714077.db2.gz XFBJLVFJJPTUEB-UHFFFAOYSA-N -1 1 334.380 2.558 20 5 EFBDMM COCCC(C)(C)CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591398560 1093714081 /nfs/dbraw/zinc/71/40/81/1093714081.db2.gz XFBJLVFJJPTUEB-UHFFFAOYSA-N -1 1 334.380 2.558 20 5 EFBDMM COc1cc(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1C ZINC001591536137 1093756848 /nfs/dbraw/zinc/75/68/48/1093756848.db2.gz SRFZNXWGSNOTSX-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM COc1cc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1C ZINC001591536137 1093756857 /nfs/dbraw/zinc/75/68/57/1093756857.db2.gz SRFZNXWGSNOTSX-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM COc1cc(F)cc(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001591540878 1093758912 /nfs/dbraw/zinc/75/89/12/1093758912.db2.gz RQPZIFRXBSHOIZ-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM COc1cc(F)cc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001591540878 1093758914 /nfs/dbraw/zinc/75/89/14/1093758914.db2.gz RQPZIFRXBSHOIZ-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM COc1cc(F)cc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)c1 ZINC001591540663 1093759873 /nfs/dbraw/zinc/75/98/73/1093759873.db2.gz FJAJXOPSAQVXHR-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM COc1cc(F)cc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)c1 ZINC001591540663 1093759878 /nfs/dbraw/zinc/75/98/78/1093759878.db2.gz FJAJXOPSAQVXHR-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM COc1cccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)c1 ZINC001591634122 1093807960 /nfs/dbraw/zinc/80/79/60/1093807960.db2.gz ZYVMYUJCXHOEEA-SNVBAGLBSA-N -1 1 340.343 2.957 20 5 EFBDMM COc1cccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)c1 ZINC001591634122 1093807965 /nfs/dbraw/zinc/80/79/65/1093807965.db2.gz ZYVMYUJCXHOEEA-SNVBAGLBSA-N -1 1 340.343 2.957 20 5 EFBDMM CS[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001591689468 1093825043 /nfs/dbraw/zinc/82/50/43/1093825043.db2.gz FEDLHSDFXGGBGP-KOLCDFICSA-N -1 1 334.405 2.861 20 5 EFBDMM CS[C@H]1CC[C@H](Nc2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001591689733 1093826219 /nfs/dbraw/zinc/82/62/19/1093826219.db2.gz HNIPMYZABPZXFM-ONGXEEELSA-N -1 1 334.405 2.779 20 5 EFBDMM CS[C@H]1CC[C@H](Nc2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001591689733 1093826224 /nfs/dbraw/zinc/82/62/24/1093826224.db2.gz HNIPMYZABPZXFM-ONGXEEELSA-N -1 1 334.405 2.779 20 5 EFBDMM Cc1occc1CN(C)c1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591996774 1093951572 /nfs/dbraw/zinc/95/15/72/1093951572.db2.gz HNYYWRCSZMPRFN-UHFFFAOYSA-N -1 1 328.332 2.621 20 5 EFBDMM Cc1occc1CN(C)c1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591996774 1093951577 /nfs/dbraw/zinc/95/15/77/1093951577.db2.gz HNYYWRCSZMPRFN-UHFFFAOYSA-N -1 1 328.332 2.621 20 5 EFBDMM Cc1cc(N2CC[C@@H](c3ccco3)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592001659 1093952954 /nfs/dbraw/zinc/95/29/54/1093952954.db2.gz BLCADNWOUBGJBN-LLVKDONJSA-N -1 1 340.343 2.670 20 5 EFBDMM Cc1cc(N2CC[C@@H](c3ccco3)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592001659 1093952957 /nfs/dbraw/zinc/95/29/57/1093952957.db2.gz BLCADNWOUBGJBN-LLVKDONJSA-N -1 1 340.343 2.670 20 5 EFBDMM Cc1cc(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1N(C)C ZINC001592056404 1093969560 /nfs/dbraw/zinc/96/95/60/1093969560.db2.gz CTKKIRALJUTZDW-UHFFFAOYSA-N -1 1 339.359 2.893 20 5 EFBDMM Cc1cc(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1N(C)C ZINC001592056404 1093969563 /nfs/dbraw/zinc/96/95/63/1093969563.db2.gz CTKKIRALJUTZDW-UHFFFAOYSA-N -1 1 339.359 2.893 20 5 EFBDMM Cc1cccc(C)c1CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001592223981 1094036202 /nfs/dbraw/zinc/03/62/02/1094036202.db2.gz VUTUGCYXSMCKIP-UHFFFAOYSA-N -1 1 339.359 2.586 20 5 EFBDMM Cc1cccc(C)c1CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001592223981 1094036208 /nfs/dbraw/zinc/03/62/08/1094036208.db2.gz VUTUGCYXSMCKIP-UHFFFAOYSA-N -1 1 339.359 2.586 20 5 EFBDMM Cc1csc([C@H](C)Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])n1 ZINC001592313817 1094074107 /nfs/dbraw/zinc/07/41/07/1094074107.db2.gz XFFSEWGRMIECBN-LURJTMIESA-N -1 1 337.390 2.774 20 5 EFBDMM Cc1csc([C@H](C)Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])n1 ZINC001592313817 1094074112 /nfs/dbraw/zinc/07/41/12/1094074112.db2.gz XFFSEWGRMIECBN-LURJTMIESA-N -1 1 337.390 2.774 20 5 EFBDMM Cc1csc([C@H](C)CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)n1 ZINC001592314217 1094074671 /nfs/dbraw/zinc/07/46/71/1094074671.db2.gz IJKXANKTOZXVMG-MRVPVSSYSA-N -1 1 345.388 2.755 20 5 EFBDMM Cc1csc([C@H](C)CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)n1 ZINC001592314217 1094074677 /nfs/dbraw/zinc/07/46/77/1094074677.db2.gz IJKXANKTOZXVMG-MRVPVSSYSA-N -1 1 345.388 2.755 20 5 EFBDMM Nc1cc(NCC[C@@H]2CC=CCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759460 1094185885 /nfs/dbraw/zinc/18/58/85/1094185885.db2.gz BRKRLDXZWORFEG-SNVBAGLBSA-N -1 1 329.364 2.515 20 5 EFBDMM Nc1cc(NCC[C@@H]2CC=CCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759460 1094185887 /nfs/dbraw/zinc/18/58/87/1094185887.db2.gz BRKRLDXZWORFEG-SNVBAGLBSA-N -1 1 329.364 2.515 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cccc(C(F)F)c1 ZINC001593465749 1094308291 /nfs/dbraw/zinc/30/82/91/1094308291.db2.gz YSCURNBNNQEDRZ-UHFFFAOYSA-N -1 1 347.285 2.720 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cccc(C(F)F)c1 ZINC001593465749 1094308298 /nfs/dbraw/zinc/30/82/98/1094308298.db2.gz YSCURNBNNQEDRZ-UHFFFAOYSA-N -1 1 347.285 2.720 20 5 EFBDMM O=[N+]([O-])c1c(NC2CC(Cl)(Cl)C2)cccc1-c1nnn[n-]1 ZINC001593466332 1094308597 /nfs/dbraw/zinc/30/85/97/1094308597.db2.gz YMZCDDOEODTYPS-UHFFFAOYSA-N -1 1 329.147 2.523 20 5 EFBDMM O=[N+]([O-])c1c(NC2CC(Cl)(Cl)C2)cccc1-c1nn[n-]n1 ZINC001593466332 1094308600 /nfs/dbraw/zinc/30/86/00/1094308600.db2.gz YMZCDDOEODTYPS-UHFFFAOYSA-N -1 1 329.147 2.523 20 5 EFBDMM O=[N+]([O-])c1c(NCC[C@@H]2CC2(Cl)Cl)cccc1-c1nnn[n-]1 ZINC001593466328 1094309386 /nfs/dbraw/zinc/30/93/86/1094309386.db2.gz YINVZSPLRXWRPP-SSDOTTSWSA-N -1 1 343.174 2.771 20 5 EFBDMM O=[N+]([O-])c1c(NCC[C@@H]2CC2(Cl)Cl)cccc1-c1nn[n-]n1 ZINC001593466328 1094309397 /nfs/dbraw/zinc/30/93/97/1094309397.db2.gz YINVZSPLRXWRPP-SSDOTTSWSA-N -1 1 343.174 2.771 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC2(CC2)c2ccccc21 ZINC001593465842 1094310017 /nfs/dbraw/zinc/31/00/17/1094310017.db2.gz ARXPSDIFLYYEAC-UHFFFAOYSA-N -1 1 334.339 2.958 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC2(CC2)c2ccccc21 ZINC001593465842 1094310020 /nfs/dbraw/zinc/31/00/20/1094310020.db2.gz ARXPSDIFLYYEAC-UHFFFAOYSA-N -1 1 334.339 2.958 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1(C2CCC2)CCC1 ZINC001593465131 1094310221 /nfs/dbraw/zinc/31/02/21/1094310221.db2.gz DUZAPNHDWXBMLB-UHFFFAOYSA-N -1 1 329.364 2.552 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1(C2CCC2)CCC1 ZINC001593465131 1094310224 /nfs/dbraw/zinc/31/02/24/1094310224.db2.gz DUZAPNHDWXBMLB-UHFFFAOYSA-N -1 1 329.364 2.552 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1Oc1cncc(Cl)c1 ZINC001593467867 1094312024 /nfs/dbraw/zinc/31/20/24/1094312024.db2.gz WNCFYVNRUQCGOM-UHFFFAOYSA-N -1 1 336.670 2.755 20 5 EFBDMM O=[N+]([O-])c1cc(N2CCc3cc(F)ccc32)ccc1-c1nn[n-]n1 ZINC001593472109 1094314686 /nfs/dbraw/zinc/31/46/86/1094314686.db2.gz VIARDQJRGCYJAS-UHFFFAOYSA-N -1 1 326.291 2.608 20 5 EFBDMM O=[N+]([O-])c1cc(N[C@@H](C2CC2)[C@H]2CCCCO2)ccc1-c1nn[n-]n1 ZINC001593474565 1094317025 /nfs/dbraw/zinc/31/70/25/1094317025.db2.gz TVULMUABXMFORW-CABCVRRESA-N -1 1 344.375 2.535 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CC[C@H](c3ccccc3)C2)cc1-c1nnn[n-]1 ZINC001593476695 1094319596 /nfs/dbraw/zinc/31/95/96/1094319596.db2.gz VDSFTLKQDFRFIG-ZDUSSCGKSA-N -1 1 336.355 2.769 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CC[C@H](c3ccccc3)C2)cc1-c1nn[n-]n1 ZINC001593476695 1094319602 /nfs/dbraw/zinc/31/96/02/1094319602.db2.gz VDSFTLKQDFRFIG-ZDUSSCGKSA-N -1 1 336.355 2.769 20 5 EFBDMM O=[N+]([O-])c1cc(N[C@@H]2CCOC23CCCCC3)ccc1-c1nn[n-]n1 ZINC001593475252 1094321291 /nfs/dbraw/zinc/32/12/91/1094321291.db2.gz ZFHSGYOWJIZZEK-CQSZACIVSA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H](C2CC2)[C@@H]2CCCCO2)cc1-c1nnn[n-]1 ZINC001593478982 1094323413 /nfs/dbraw/zinc/32/34/13/1094323413.db2.gz OHTZVIAIDLLAAC-GJZGRUSLSA-N -1 1 344.375 2.535 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H](C2CC2)[C@@H]2CCCCO2)cc1-c1nn[n-]n1 ZINC001593478982 1094323416 /nfs/dbraw/zinc/32/34/16/1094323416.db2.gz OHTZVIAIDLLAAC-GJZGRUSLSA-N -1 1 344.375 2.535 20 5 EFBDMM O=[N+]([O-])c1cnc(Oc2cc(F)cc(Cl)c2)c(-c2nnn[n-]2)c1 ZINC001593487887 1094328348 /nfs/dbraw/zinc/32/83/48/1094328348.db2.gz UUTBLIOQCSRERU-UHFFFAOYSA-N -1 1 336.670 2.755 20 5 EFBDMM O=[N+]([O-])c1cnc(Oc2cc(F)cc(Cl)c2)c(-c2nn[n-]n2)c1 ZINC001593487887 1094328355 /nfs/dbraw/zinc/32/83/55/1094328355.db2.gz UUTBLIOQCSRERU-UHFFFAOYSA-N -1 1 336.670 2.755 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCc2c1cccc2F ZINC001593487615 1094328848 /nfs/dbraw/zinc/32/88/48/1094328848.db2.gz JRQYIHHYCHNRBG-UHFFFAOYSA-N -1 1 332.320 2.670 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCc2c1cccc2F ZINC001593487615 1094328855 /nfs/dbraw/zinc/32/88/55/1094328855.db2.gz JRQYIHHYCHNRBG-UHFFFAOYSA-N -1 1 332.320 2.670 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001593487230 1094329076 /nfs/dbraw/zinc/32/90/76/1094329076.db2.gz FZQCUGKONIHUES-VHSXEESVSA-N -1 1 334.405 2.853 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001593487230 1094329086 /nfs/dbraw/zinc/32/90/86/1094329086.db2.gz FZQCUGKONIHUES-VHSXEESVSA-N -1 1 334.405 2.853 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@H](c1ccncc1)C1CC1 ZINC001593488180 1094329271 /nfs/dbraw/zinc/32/92/71/1094329271.db2.gz QPMOAQQGLCMYRN-LBPRGKRZSA-N -1 1 343.372 2.795 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@H](c1ccncc1)C1CC1 ZINC001593488180 1094329280 /nfs/dbraw/zinc/32/92/80/1094329280.db2.gz QPMOAQQGLCMYRN-LBPRGKRZSA-N -1 1 343.372 2.795 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC=C(c2ccccc2)C1 ZINC001593486911 1094330499 /nfs/dbraw/zinc/33/04/99/1094330499.db2.gz ANJBWRYPCCYTHT-UHFFFAOYSA-N -1 1 340.368 2.740 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC=C(c2ccccc2)C1 ZINC001593486911 1094330506 /nfs/dbraw/zinc/33/05/06/1094330506.db2.gz ANJBWRYPCCYTHT-UHFFFAOYSA-N -1 1 340.368 2.740 20 5 EFBDMM Cc1c(CN[C@@](C)(CC(=O)[O-])c2ccccn2)cccc1[N+](=O)[O-] ZINC001600013128 1094721002 /nfs/dbraw/zinc/72/10/02/1094721002.db2.gz AUDOIKVVFOKJPF-KRWDZBQOSA-N -1 1 329.356 2.778 20 5 EFBDMM Cc1ccc(CN[C@@](C)(CC(=O)[O-])c2ccccn2)cc1[N+](=O)[O-] ZINC001600418749 1095050584 /nfs/dbraw/zinc/05/05/84/1095050584.db2.gz GBUHJKOYEIAZMA-KRWDZBQOSA-N -1 1 329.356 2.778 20 5 EFBDMM O=C([O-])C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])c2ccccc21 ZINC001601961416 1095994177 /nfs/dbraw/zinc/99/41/77/1095994177.db2.gz ALDBJLMEHLOBNP-LLVKDONJSA-N -1 1 328.324 2.879 20 5 EFBDMM O=C([O-])COc1ccc(CNC2(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001602082368 1096051206 /nfs/dbraw/zinc/05/12/06/1096051206.db2.gz QRSBAZOTQMDHJY-UHFFFAOYSA-N -1 1 342.351 2.837 20 5 EFBDMM O=C([O-])c1cc(NC(=O)c2c(O)cccc2Cl)cc([N+](=O)[O-])c1 ZINC001602283682 1096160456 /nfs/dbraw/zinc/16/04/56/1096160456.db2.gz QXCMVJCAEOBZNA-UHFFFAOYSA-N -1 1 336.687 2.904 20 5 EFBDMM O=C([O-])c1cc(NC(=O)c2ccc(Cl)cc2O)cc([N+](=O)[O-])c1 ZINC001602284609 1096160571 /nfs/dbraw/zinc/16/05/71/1096160571.db2.gz JKKPRABMWRCXRD-UHFFFAOYSA-N -1 1 336.687 2.904 20 5 EFBDMM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NCc1n[nH]c(C2CC2)n1 ZINC001602298601 1096164875 /nfs/dbraw/zinc/16/48/75/1096164875.db2.gz ODMPDAYSJBNKRD-UHFFFAOYSA-N -1 1 337.723 2.554 20 5 EFBDMM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CCc2[nH]cnc2C1 ZINC001602298332 1096164937 /nfs/dbraw/zinc/16/49/37/1096164937.db2.gz AWKZANDYMNCDPJ-SSDOTTSWSA-N -1 1 336.735 2.639 20 5 EFBDMM O=C([O-])c1cc2c(cc1F)NC(=O)/C2=C/c1cc(O)ccc1[N+](=O)[O-] ZINC001602661002 1096341126 /nfs/dbraw/zinc/34/11/26/1096341126.db2.gz MSSDCMBDMBQKNU-ONNFQVAWSA-N -1 1 344.254 2.630 20 5 EFBDMM CC(C)CC1(CNc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001603271592 1096490796 /nfs/dbraw/zinc/49/07/96/1096490796.db2.gz LETSRQUAYQSONN-UHFFFAOYSA-N -1 1 331.380 2.595 20 5 EFBDMM CC(C)CC1(CNc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001603271592 1096490804 /nfs/dbraw/zinc/49/08/04/1096490804.db2.gz LETSRQUAYQSONN-UHFFFAOYSA-N -1 1 331.380 2.595 20 5 EFBDMM CC(C)C[C@@H]1C[C@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001603272492 1096491182 /nfs/dbraw/zinc/49/11/82/1096491182.db2.gz QEQXCLKFZONQNK-VXGBXAGGSA-N -1 1 346.391 2.781 20 5 EFBDMM CC(C)C[C@@H]1C[C@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001603272492 1096491185 /nfs/dbraw/zinc/49/11/85/1096491185.db2.gz QEQXCLKFZONQNK-VXGBXAGGSA-N -1 1 346.391 2.781 20 5 EFBDMM CC(C)c1csc(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC001603406538 1096521475 /nfs/dbraw/zinc/52/14/75/1096521475.db2.gz QWFOJJFHQLIDJA-UHFFFAOYSA-N -1 1 349.401 2.901 20 5 EFBDMM CC(C)c1csc(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC001603406538 1096521484 /nfs/dbraw/zinc/52/14/84/1096521484.db2.gz QWFOJJFHQLIDJA-UHFFFAOYSA-N -1 1 349.401 2.901 20 5 EFBDMM C[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1c(F)cncc1F ZINC001603680868 1096587975 /nfs/dbraw/zinc/58/79/75/1096587975.db2.gz CXCRAYIHLPBYTE-ZETCQYMHSA-N -1 1 347.285 2.621 20 5 EFBDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1c(F)cncc1F ZINC001603680867 1096588561 /nfs/dbraw/zinc/58/85/61/1096588561.db2.gz CXCRAYIHLPBYTE-SSDOTTSWSA-N -1 1 347.285 2.621 20 5 EFBDMM CC1(C)CCC(O)(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC001603773111 1096622849 /nfs/dbraw/zinc/62/28/49/1096622849.db2.gz YATFXEBQFXIARA-UHFFFAOYSA-N -1 1 346.391 2.518 20 5 EFBDMM C[C@]1(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1(Cl)Cl ZINC001603805807 1096633068 /nfs/dbraw/zinc/63/30/68/1096633068.db2.gz CXYDYUUZZDMPEP-LLVKDONJSA-N -1 1 343.174 2.771 20 5 EFBDMM C[C@H]1CCCC[C@H]1OCCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001603890934 1096660826 /nfs/dbraw/zinc/66/08/26/1096660826.db2.gz OSQPVNCFXNDIQJ-SMDDNHRTSA-N -1 1 346.391 2.782 20 5 EFBDMM C[C@H]1CCCC[C@H]1OCCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001603890934 1096660831 /nfs/dbraw/zinc/66/08/31/1096660831.db2.gz OSQPVNCFXNDIQJ-SMDDNHRTSA-N -1 1 346.391 2.782 20 5 EFBDMM C[C@@H]1Oc2ccccc2[C@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001603957982 1096682982 /nfs/dbraw/zinc/68/29/82/1096682982.db2.gz ZJUZBZDPVVWPLT-MADCSZMMSA-N -1 1 344.356 2.771 20 5 EFBDMM C[C@@H]1Oc2ccccc2[C@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001603957982 1096682985 /nfs/dbraw/zinc/68/29/85/1096682985.db2.gz ZJUZBZDPVVWPLT-MADCSZMMSA-N -1 1 344.356 2.771 20 5 EFBDMM C[C@](NCc1cncc(Cl)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604349051 1096822973 /nfs/dbraw/zinc/82/29/73/1096822973.db2.gz QJHOLDZPAQJXNU-OAHLLOKOSA-N -1 1 335.747 2.733 20 5 EFBDMM CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001604528368 1096894013 /nfs/dbraw/zinc/89/40/13/1096894013.db2.gz NLPKMFKVUXPTNM-UHFFFAOYSA-N -1 1 344.356 2.651 20 5 EFBDMM CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001604528368 1096894018 /nfs/dbraw/zinc/89/40/18/1096894018.db2.gz NLPKMFKVUXPTNM-UHFFFAOYSA-N -1 1 344.356 2.651 20 5 EFBDMM CC1(C)CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)[C@@H]1C1CC1 ZINC001604546451 1096900855 /nfs/dbraw/zinc/90/08/55/1096900855.db2.gz UQSGPFDPUHFLCZ-MRXNPFEDSA-N -1 1 334.372 2.679 20 5 EFBDMM C[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC001604754020 1096947750 /nfs/dbraw/zinc/94/77/50/1096947750.db2.gz PBKAFCZTRSDNAJ-WBMJQRKESA-N -1 1 344.371 2.573 20 5 EFBDMM C[C@H]1CCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1(C)C ZINC001604754431 1096947999 /nfs/dbraw/zinc/94/79/99/1096947999.db2.gz WBYUVVRTYMFDQG-LBPRGKRZSA-N -1 1 336.388 2.926 20 5 EFBDMM Cc1cc(N[C@@H](C)Cc2cccnc2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605718391 1097207244 /nfs/dbraw/zinc/20/72/44/1097207244.db2.gz XMZRLDOQHVIGKG-NSHDSACASA-N -1 1 339.359 2.521 20 5 EFBDMM Cc1cc(N[C@@H](C)Cc2cccnc2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605718391 1097207250 /nfs/dbraw/zinc/20/72/50/1097207250.db2.gz XMZRLDOQHVIGKG-NSHDSACASA-N -1 1 339.359 2.521 20 5 EFBDMM Cc1cc(N[C@@H]2CC(C)(C)OC2(C)C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605722908 1097207829 /nfs/dbraw/zinc/20/78/29/1097207829.db2.gz LQIWSJFVWUMHKH-GFCCVEGCSA-N -1 1 346.391 2.841 20 5 EFBDMM Cc1cc(N[C@@H]2CC(C)(C)OC2(C)C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605722908 1097207834 /nfs/dbraw/zinc/20/78/34/1097207834.db2.gz LQIWSJFVWUMHKH-GFCCVEGCSA-N -1 1 346.391 2.841 20 5 EFBDMM Cc1cc(NCC[C@@H]2CCCS2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605731844 1097209295 /nfs/dbraw/zinc/20/92/95/1097209295.db2.gz ZRTXPZKFHMLIDL-NSHDSACASA-N -1 1 334.405 2.781 20 5 EFBDMM Cc1cc(NCC[C@@H]2CCCS2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605731844 1097209298 /nfs/dbraw/zinc/20/92/98/1097209298.db2.gz ZRTXPZKFHMLIDL-NSHDSACASA-N -1 1 334.405 2.781 20 5 EFBDMM Cc1ccc(F)c(CN(C)c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])c1 ZINC001605862579 1097258274 /nfs/dbraw/zinc/25/82/74/1097258274.db2.gz TVAHXJGZQBUBIT-UHFFFAOYSA-N -1 1 348.363 2.920 20 5 EFBDMM Cc1ccc(F)c(CN(C)c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])c1 ZINC001605862579 1097258278 /nfs/dbraw/zinc/25/82/78/1097258278.db2.gz TVAHXJGZQBUBIT-UHFFFAOYSA-N -1 1 348.363 2.920 20 5 EFBDMM Cc1cnc([C@H](C)Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)s1 ZINC001605977750 1097290314 /nfs/dbraw/zinc/29/03/14/1097290314.db2.gz JUQHKUHWGQXJRM-QMMMGPOBSA-N -1 1 331.361 2.713 20 5 EFBDMM Cc1cnc([C@H](C)Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)s1 ZINC001605977750 1097290315 /nfs/dbraw/zinc/29/03/15/1097290315.db2.gz JUQHKUHWGQXJRM-QMMMGPOBSA-N -1 1 331.361 2.713 20 5 EFBDMM Cc1csc([C@@H](C)Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)n1 ZINC001606001819 1097294424 /nfs/dbraw/zinc/29/44/24/1097294424.db2.gz WZTGVPCAZXWFQT-MRVPVSSYSA-N -1 1 331.361 2.713 20 5 EFBDMM Cc1cccc([N+](=O)[O-])c1NC1([P@](=O)([O-])O)Cc2ccccc2C1 ZINC001167935819 1097348859 /nfs/dbraw/zinc/34/88/59/1097348859.db2.gz CUDMNDBYKFTFJC-UHFFFAOYSA-N -1 1 348.295 2.988 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1CCC=CCCC1 ZINC001607077394 1097505038 /nfs/dbraw/zinc/50/50/38/1097505038.db2.gz SNUHXQFUDIZTBI-LLVKDONJSA-N -1 1 329.364 2.718 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1CCC=CCCC1 ZINC001607077394 1097505043 /nfs/dbraw/zinc/50/50/43/1097505043.db2.gz SNUHXQFUDIZTBI-LLVKDONJSA-N -1 1 329.364 2.718 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1SCc1ccccn1 ZINC001607076833 1097505312 /nfs/dbraw/zinc/50/53/12/1097505312.db2.gz BWNUONOLEPIAKL-UHFFFAOYSA-N -1 1 332.320 2.601 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H]1CCC=CCCC1 ZINC001607077396 1097505330 /nfs/dbraw/zinc/50/53/30/1097505330.db2.gz SNUHXQFUDIZTBI-NSHDSACASA-N -1 1 329.364 2.718 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H]1CCC=CCCC1 ZINC001607077396 1097505334 /nfs/dbraw/zinc/50/53/34/1097505334.db2.gz SNUHXQFUDIZTBI-NSHDSACASA-N -1 1 329.364 2.718 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCC[C@@H]1c1ccccn1 ZINC001607086183 1097509446 /nfs/dbraw/zinc/50/94/46/1097509446.db2.gz VGPFUILLAMQWAO-SNVBAGLBSA-N -1 1 343.372 2.573 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCC[C@@H]1c1ccccn1 ZINC001607086183 1097509451 /nfs/dbraw/zinc/50/94/51/1097509451.db2.gz VGPFUILLAMQWAO-SNVBAGLBSA-N -1 1 343.372 2.573 20 5 EFBDMM O=[N+]([O-])c1cccc(Oc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001607084707 1097510480 /nfs/dbraw/zinc/51/04/80/1097510480.db2.gz UNTGQPUIIYAFAC-UHFFFAOYSA-N -1 1 346.234 2.615 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@H]1CCc2c1cccc2O ZINC001607088259 1097511201 /nfs/dbraw/zinc/51/12/01/1097511201.db2.gz KBTWMFCLZDRTKE-VIFPVBQESA-N -1 1 344.356 2.641 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@H]1CCc2c1cccc2O ZINC001607088259 1097511205 /nfs/dbraw/zinc/51/12/05/1097511205.db2.gz KBTWMFCLZDRTKE-VIFPVBQESA-N -1 1 344.356 2.641 20 5 EFBDMM COc1ccc([C@H](NCc2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])cc1O ZINC001607235211 1097568589 /nfs/dbraw/zinc/56/85/89/1097568589.db2.gz SXGYNBIWZDXYDY-INIZCTEOSA-N -1 1 346.339 2.533 20 5 EFBDMM COc1ccc(F)cc1CN[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001607266290 1097579685 /nfs/dbraw/zinc/57/96/85/1097579685.db2.gz IJAMJEDRULMDEV-QGZVFWFLSA-N -1 1 348.330 2.832 20 5 EFBDMM COc1cccc([C@@H](C(=O)[O-])N(C)Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC001607311188 1097594388 /nfs/dbraw/zinc/59/43/88/1097594388.db2.gz YJXXEBKHZZZKGU-INIZCTEOSA-N -1 1 346.339 2.567 20 5 EFBDMM Cc1cc(NCc2cc(N(C)C)ccn2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001607695168 1097702132 /nfs/dbraw/zinc/70/21/32/1097702132.db2.gz BWAKUHIFKKEQIZ-UHFFFAOYSA-N -1 1 330.344 2.675 20 5 EFBDMM O=C([O-])c1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc2[nH]ccc21 ZINC001608497549 1097932788 /nfs/dbraw/zinc/93/27/88/1097932788.db2.gz YLIWIQQFAICWEW-UHFFFAOYSA-N -1 1 341.279 2.732 20 5 EFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(Nc2ccn(-c3ccccc3)n2)n1 ZINC001608915523 1098070761 /nfs/dbraw/zinc/07/07/61/1098070761.db2.gz AEDPLMKBWGEIKF-UHFFFAOYSA-N -1 1 325.284 2.617 20 5 EFBDMM CC(C)n1ccnc1Sc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609107758 1098148847 /nfs/dbraw/zinc/14/88/47/1098148847.db2.gz IZLKURNLIISZAX-UHFFFAOYSA-N -1 1 331.361 2.704 20 5 EFBDMM CC(C)n1ccnc1Sc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609107758 1098148853 /nfs/dbraw/zinc/14/88/53/1098148853.db2.gz IZLKURNLIISZAX-UHFFFAOYSA-N -1 1 331.361 2.704 20 5 EFBDMM CC(C)n1cc([C@H](C)Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cn1 ZINC001609126907 1098158473 /nfs/dbraw/zinc/15/84/73/1098158473.db2.gz NNMQVONQLONUAV-JTQLQIEISA-N -1 1 342.363 2.725 20 5 EFBDMM CC(C)n1cc([C@H](C)Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cn1 ZINC001609126907 1098158476 /nfs/dbraw/zinc/15/84/76/1098158476.db2.gz NNMQVONQLONUAV-JTQLQIEISA-N -1 1 342.363 2.725 20 5 EFBDMM CC1(C)C[C@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C(C)(C)O1 ZINC001609144043 1098166489 /nfs/dbraw/zinc/16/64/89/1098166489.db2.gz GKAIPOYRBJKLRX-NSHDSACASA-N -1 1 332.364 2.533 20 5 EFBDMM CC1(C)C[C@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C(C)(C)O1 ZINC001609144043 1098166492 /nfs/dbraw/zinc/16/64/92/1098166492.db2.gz GKAIPOYRBJKLRX-NSHDSACASA-N -1 1 332.364 2.533 20 5 EFBDMM CC1(C)CCC[C@@](O)(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001609145176 1098168436 /nfs/dbraw/zinc/16/84/36/1098168436.db2.gz CXKJGYLJELJZAN-INIZCTEOSA-N -1 1 346.391 2.518 20 5 EFBDMM CC1(C)CCC[C@@](O)(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001609145176 1098168438 /nfs/dbraw/zinc/16/84/38/1098168438.db2.gz CXKJGYLJELJZAN-INIZCTEOSA-N -1 1 346.391 2.518 20 5 EFBDMM C[C@]1(c2ccccc2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609151542 1098171605 /nfs/dbraw/zinc/17/16/05/1098171605.db2.gz LOUWZVJSBWITJG-DOTOQJQBSA-N -1 1 336.355 2.917 20 5 EFBDMM C[C@H]1CCC[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001609164564 1098177921 /nfs/dbraw/zinc/17/79/21/1098177921.db2.gz TXVQEGSMOMHSBW-UWVGGRQHSA-N -1 1 331.380 2.738 20 5 EFBDMM C[C@H]1CCC[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001609164564 1098177924 /nfs/dbraw/zinc/17/79/24/1098177924.db2.gz TXVQEGSMOMHSBW-UWVGGRQHSA-N -1 1 331.380 2.738 20 5 EFBDMM CCCO[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC001609216145 1098207101 /nfs/dbraw/zinc/20/71/01/1098207101.db2.gz LFMUUDHJNWXWCJ-CYBMUJFWSA-N -1 1 346.391 2.560 20 5 EFBDMM CS[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001609370219 1098269337 /nfs/dbraw/zinc/26/93/37/1098269337.db2.gz YGZMWVDSASGUFS-GXSJLCMTSA-N -1 1 334.405 2.861 20 5 EFBDMM CS[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001609370219 1098269338 /nfs/dbraw/zinc/26/93/38/1098269338.db2.gz YGZMWVDSASGUFS-GXSJLCMTSA-N -1 1 334.405 2.861 20 5 EFBDMM Cc1cccc(Oc2nc(Cl)c(-c3nn[n-]n3)s2)c1[N+](=O)[O-] ZINC001609433385 1098318219 /nfs/dbraw/zinc/31/82/19/1098318219.db2.gz ASPZOKIQPXSWNR-UHFFFAOYSA-N -1 1 338.736 2.986 20 5 EFBDMM Nc1cc(N2CCCCCCCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609510829 1098366350 /nfs/dbraw/zinc/36/63/50/1098366350.db2.gz JICFBDWTTPWVLP-UHFFFAOYSA-N -1 1 331.380 2.518 20 5 EFBDMM Nc1cc(N2CCCCCCCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609510829 1098366356 /nfs/dbraw/zinc/36/63/56/1098366356.db2.gz JICFBDWTTPWVLP-UHFFFAOYSA-N -1 1 331.380 2.518 20 5 EFBDMM O=[N+]([O-])c1cc(N2CC[C@@H](c3ccccc3)C2)ccc1-c1nn[n-]n1 ZINC001609600788 1098393605 /nfs/dbraw/zinc/39/36/05/1098393605.db2.gz DPNVDSYFCXEZKB-CYBMUJFWSA-N -1 1 336.355 2.769 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC[C@H]1c1ccccn1 ZINC001609599414 1098394254 /nfs/dbraw/zinc/39/42/54/1098394254.db2.gz APDNQAYHIJAWBI-ZDUSSCGKSA-N -1 1 337.343 2.511 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC[C@H]1c1ccccn1 ZINC001609599414 1098394260 /nfs/dbraw/zinc/39/42/60/1098394260.db2.gz APDNQAYHIJAWBI-ZDUSSCGKSA-N -1 1 337.343 2.511 20 5 EFBDMM O=[N+]([O-])c1cc(NCCc2cc3ccccc3[nH]2)ccc1-c1nn[n-]n1 ZINC001609601472 1098395448 /nfs/dbraw/zinc/39/54/48/1098395448.db2.gz YHWYELMHNBCQOB-UHFFFAOYSA-N -1 1 349.354 2.911 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2cccnc2)cc1-c1nnn[n-]1 ZINC001609601618 1098395693 /nfs/dbraw/zinc/39/56/93/1098395693.db2.gz QMPDUCIWVQXPEP-CQSZACIVSA-N -1 1 337.343 2.511 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2cccnc2)cc1-c1nn[n-]n1 ZINC001609601618 1098395698 /nfs/dbraw/zinc/39/56/98/1098395698.db2.gz QMPDUCIWVQXPEP-CQSZACIVSA-N -1 1 337.343 2.511 20 5 EFBDMM O=[N+]([O-])c1cc(N2CCSC3(CCC3)CC2)ccc1-c1nn[n-]n1 ZINC001609601249 1098395766 /nfs/dbraw/zinc/39/57/66/1098395766.db2.gz TWGWYYSZUCZQPV-UHFFFAOYSA-N -1 1 346.416 2.641 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CCC[C@H]2c2cccnc2)cc1-c1nnn[n-]1 ZINC001609601617 1098396051 /nfs/dbraw/zinc/39/60/51/1098396051.db2.gz QMPDUCIWVQXPEP-AWEZNQCLSA-N -1 1 337.343 2.511 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CCC[C@H]2c2cccnc2)cc1-c1nn[n-]n1 ZINC001609601617 1098396057 /nfs/dbraw/zinc/39/60/57/1098396057.db2.gz QMPDUCIWVQXPEP-AWEZNQCLSA-N -1 1 337.343 2.511 20 5 EFBDMM O=[N+]([O-])c1cc(N2CCC3(CCCC3)CC2)ccc1-c1nn[n-]n1 ZINC001609601379 1098396540 /nfs/dbraw/zinc/39/65/40/1098396540.db2.gz WRJCNCBHLLGQHM-UHFFFAOYSA-N -1 1 328.376 2.936 20 5 EFBDMM COc1ccc([C@H](NCc2ccc([N+](=O)[O-])cc2OC)C(=O)[O-])cc1 ZINC001610323884 1098620753 /nfs/dbraw/zinc/62/07/53/1098620753.db2.gz GZSAEYWCSPGKGH-INIZCTEOSA-N -1 1 346.339 2.528 20 5 EFBDMM C[C@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1cccc(O)c1 ZINC001610395174 1098652662 /nfs/dbraw/zinc/65/26/62/1098652662.db2.gz MTBPVDORTBBBBX-NSHDSACASA-N -1 1 346.339 2.615 20 5 EFBDMM Cc1cccc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c1[N+](=O)[O-] ZINC001610519354 1098727142 /nfs/dbraw/zinc/72/71/42/1098727142.db2.gz XKMUYUDTHADHQI-UHFFFAOYSA-N -1 1 340.295 2.730 20 5 EFBDMM O=C([O-])[C@@]1(c2ccccc2)CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001610730459 1098857373 /nfs/dbraw/zinc/85/73/73/1098857373.db2.gz WBRGXLIODQOLIE-SFHVURJKSA-N -1 1 342.351 2.529 20 5 EFBDMM O=C([O-])CC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC001610766502 1098872935 /nfs/dbraw/zinc/87/29/35/1098872935.db2.gz IJHZCXXGZIKSGJ-HNNXBMFYSA-N -1 1 344.323 2.636 20 5 EFBDMM O=[N+]([O-])c1cc(Nc2ncc(Br)cc2O)ccc1[O-] ZINC001210393001 1102549563 /nfs/dbraw/zinc/54/95/63/1102549563.db2.gz SKNGHGPAYGSHIB-UHFFFAOYSA-N -1 1 326.106 2.907 20 5 EFBDMM O=[N+]([O-])c1cc(Nc2nc(Br)ccc2O)ccc1[O-] ZINC001210393043 1102556750 /nfs/dbraw/zinc/55/67/50/1102556750.db2.gz UXOXAWGCJCLRJW-UHFFFAOYSA-N -1 1 326.106 2.907 20 5 EFBDMM Cc1cnc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])nc1 ZINC000784197062 1106775227 /nfs/dbraw/zinc/77/52/27/1106775227.db2.gz AYOHROKDQMNKLG-UHFFFAOYSA-N -1 1 343.162 2.770 20 5 EFBDMM CCN(CCNc1cc(C)ccc1[N+](=O)[O-])C(=O)c1ncccc1[O-] ZINC001106726843 1111766058 /nfs/dbraw/zinc/76/60/58/1111766058.db2.gz ASFACBZXJGNZCJ-UHFFFAOYSA-N -1 1 344.371 2.578 20 5 EFBDMM Cc1ccc(C(=O)NCc2n[n-]c(=S)n2C(C)C)cc1[N+](=O)[O-] ZINC000066650039 215064105 /nfs/dbraw/zinc/06/41/05/215064105.db2.gz STSUJNSDJCQLGV-UHFFFAOYSA-N -1 1 335.389 2.668 20 5 EFBDMM CC(C)CN=c1[n-]nc(SCc2cc(O)ccc2[N+](=O)[O-])s1 ZINC000412984337 535146979 /nfs/dbraw/zinc/14/69/79/535146979.db2.gz BUZUVYROFBKMAS-UHFFFAOYSA-N -1 1 340.430 2.934 20 5 EFBDMM O=C(NCC1(c2ccccc2)CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186827916 236034659 /nfs/dbraw/zinc/03/46/59/236034659.db2.gz AGSSUKVXTYKFEE-UHFFFAOYSA-N -1 1 327.340 2.547 20 5 EFBDMM COc1ccc([C@H](C)N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000187551458 236243989 /nfs/dbraw/zinc/24/39/89/236243989.db2.gz NWHZDHHVDIECTO-JTQLQIEISA-N -1 1 331.328 2.537 20 5 EFBDMM CCOc1ccccc1[C@@H](CC)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193507328 240112084 /nfs/dbraw/zinc/11/20/84/240112084.db2.gz LLWBBOPXGRDNKD-CYBMUJFWSA-N -1 1 345.355 2.975 20 5 EFBDMM O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1[O-] ZINC000436764016 249591517 /nfs/dbraw/zinc/59/15/17/249591517.db2.gz JEZVTVZTGMGKST-UHFFFAOYSA-N -1 1 335.747 2.796 20 5 EFBDMM CN(Cc1c(F)cccc1Cl)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444830179 250356029 /nfs/dbraw/zinc/35/60/29/250356029.db2.gz RBJJNJHCEDRCOH-UHFFFAOYSA-N -1 1 339.710 2.760 20 5 EFBDMM COc1ccc(C)cc1[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444830603 250356130 /nfs/dbraw/zinc/35/61/30/250356130.db2.gz XEOQTODGRXSOCE-JTQLQIEISA-N -1 1 331.328 2.503 20 5 EFBDMM O=c1[n-]nc([C@H]2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)o1 ZINC000375042061 285079814 /nfs/dbraw/zinc/07/98/14/285079814.db2.gz KGGSAEDTBCGCNO-JTQLQIEISA-N -1 1 341.327 2.616 20 5 EFBDMM Cc1sc(S(=O)(=O)[N-][C@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000342531196 145143644 /nfs/dbraw/zinc/14/36/44/145143644.db2.gz QORFOQFOGWWUPI-RXMQYKEDSA-N -1 1 332.325 2.584 20 5 EFBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000342955004 145228132 /nfs/dbraw/zinc/22/81/32/145228132.db2.gz ZWXDMKBUBMXBCE-UHFFFAOYSA-N -1 1 344.295 2.682 20 5 EFBDMM Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000344218821 145395296 /nfs/dbraw/zinc/39/52/96/145395296.db2.gz SMPJSRSBFNTFJO-GFCCVEGCSA-N -1 1 345.355 2.510 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](c2ccccc2)C1 ZINC000348866188 146016123 /nfs/dbraw/zinc/01/61/23/146016123.db2.gz KFRKITIQILNKMZ-CYBMUJFWSA-N -1 1 327.340 2.715 20 5 EFBDMM Cc1sc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)nc1C(C)C ZINC000349100572 146052492 /nfs/dbraw/zinc/05/24/92/146052492.db2.gz WKKNGYPGSRUYOJ-UHFFFAOYSA-N -1 1 336.373 2.514 20 5 EFBDMM C[C@H](OCCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1 ZINC000349293411 146075869 /nfs/dbraw/zinc/07/58/69/146075869.db2.gz ZGPFYTCJFAFWEF-LBPRGKRZSA-N -1 1 345.355 2.593 20 5 EFBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1(C(F)F)CCCCC1 ZINC000351218816 146116757 /nfs/dbraw/zinc/11/67/57/146116757.db2.gz GSAHCMAWMSNWHE-UHFFFAOYSA-N -1 1 334.344 2.841 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000365194298 149340519 /nfs/dbraw/zinc/34/05/19/149340519.db2.gz BZLCMMGBSMBIEX-AWEZNQCLSA-N -1 1 345.330 2.682 20 5 EFBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000187162966 265088855 /nfs/dbraw/zinc/08/88/55/265088855.db2.gz WFCYFJLEJDCQBE-UHFFFAOYSA-N -1 1 344.295 2.682 20 5 EFBDMM COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1F ZINC000188571653 265139374 /nfs/dbraw/zinc/13/93/74/265139374.db2.gz ZAKPGGAYOFJUAY-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM COC[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000272272531 266211113 /nfs/dbraw/zinc/21/11/13/266211113.db2.gz WSKMBYWZFQVIDD-GFCCVEGCSA-N -1 1 340.282 2.784 20 5 EFBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000272467344 266273718 /nfs/dbraw/zinc/27/37/18/266273718.db2.gz ZRUOFPHLVMYORY-UHFFFAOYSA-N -1 1 346.315 2.673 20 5 EFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)cc1[N+](=O)[O-] ZINC000276908604 267073431 /nfs/dbraw/zinc/07/34/31/267073431.db2.gz MWHPXZPMLLPJFY-UHFFFAOYSA-N -1 1 336.373 2.613 20 5 EFBDMM Cc1cccc([C@@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)c1 ZINC000278061379 267331695 /nfs/dbraw/zinc/33/16/95/267331695.db2.gz NDEQPXUAKJSYJF-CYBMUJFWSA-N -1 1 327.340 2.634 20 5 EFBDMM CC[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000288997165 274690575 /nfs/dbraw/zinc/69/05/75/274690575.db2.gz SWBVNRPTXMCFTE-LURJTMIESA-N -1 1 327.189 2.978 20 5 EFBDMM O=C(NC1(Cc2ccccc2)CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187689204 279816084 /nfs/dbraw/zinc/81/60/84/279816084.db2.gz AGNFVPHXIVXLIZ-UHFFFAOYSA-N -1 1 341.367 2.981 20 5 EFBDMM C[C@]1(Cc2ccccc2)CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000194017890 280161653 /nfs/dbraw/zinc/16/16/53/280161653.db2.gz FHFDURQHZYIGFJ-GOSISDBHSA-N -1 1 341.367 2.933 20 5 EFBDMM CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccco1 ZINC000067593561 292696863 /nfs/dbraw/zinc/69/68/63/292696863.db2.gz KNZIPJZITBRXBL-AWEZNQCLSA-N -1 1 347.371 2.706 20 5 EFBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000290750670 294174365 /nfs/dbraw/zinc/17/43/65/294174365.db2.gz YMTHLAQTFZFGOU-AOOOYVTPSA-N -1 1 347.293 2.889 20 5 EFBDMM COc1cc(C(=O)[N-]c2nnc(C(C)C)s2)c([N+](=O)[O-])cc1F ZINC000294665739 295203387 /nfs/dbraw/zinc/20/33/87/295203387.db2.gz WSEFDDVPQKUHFY-UHFFFAOYSA-N -1 1 340.336 2.970 20 5 EFBDMM Cc1cc(N2C[C@H](C(=O)[O-])C[C@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000263169926 301343892 /nfs/dbraw/zinc/34/38/92/301343892.db2.gz JGYNVWFRFNKONJ-CMPLNLGQSA-N -1 1 329.356 2.998 20 5 EFBDMM CCOCCOCc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000298942587 311036515 /nfs/dbraw/zinc/03/65/15/311036515.db2.gz GSWYQBXTBFEKMS-UHFFFAOYSA-N -1 1 333.344 2.728 20 5 EFBDMM C[C@H]1CN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)C[C@H](C)O1 ZINC000299453443 311086441 /nfs/dbraw/zinc/08/64/41/311086441.db2.gz TUPSMIQDVJMFKU-RYUDHWBXSA-N -1 1 344.371 2.789 20 5 EFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCC[C@@H]3C2)s1 ZINC000332239027 311476225 /nfs/dbraw/zinc/47/62/25/311476225.db2.gz PPFPCFFYCOYYTF-HBNTYKKESA-N -1 1 330.431 2.903 20 5 EFBDMM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000514643374 315547324 /nfs/dbraw/zinc/54/73/24/315547324.db2.gz DFCINRSOAMVKKG-NSHDSACASA-N -1 1 341.245 2.729 20 5 EFBDMM Cc1cc([C@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c(C)s1 ZINC000525186039 316194728 /nfs/dbraw/zinc/19/47/28/316194728.db2.gz YINCOMGKRFBSKW-VIFPVBQESA-N -1 1 341.414 2.708 20 5 EFBDMM Cc1ccc([C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C2CC2)cc1 ZINC000525601678 316221738 /nfs/dbraw/zinc/22/17/38/316221738.db2.gz QDXPIRUZZWPOTK-OAHLLOKOSA-N -1 1 347.396 2.728 20 5 EFBDMM CCCC[C@H](CCC)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000531483592 317273464 /nfs/dbraw/zinc/27/34/64/317273464.db2.gz AVVWQGACZJIZTH-LBPRGKRZSA-N -1 1 329.422 2.875 20 5 EFBDMM CC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000548146694 318078429 /nfs/dbraw/zinc/07/84/29/318078429.db2.gz YRUOLOIBDDTQJI-SNVBAGLBSA-N -1 1 326.296 2.604 20 5 EFBDMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000548813925 318146602 /nfs/dbraw/zinc/14/66/02/318146602.db2.gz BQMFZRCLNRUWHT-JTQLQIEISA-N -1 1 344.323 2.829 20 5 EFBDMM CC(C)OCc1ccccc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000564810190 318894137 /nfs/dbraw/zinc/89/41/37/318894137.db2.gz DEQGEDCBNAVIDM-UHFFFAOYSA-N -1 1 345.355 2.550 20 5 EFBDMM O=C([O-])c1ccnc(NC[C@H](c2ccco2)N2CCCC2)c1[N+](=O)[O-] ZINC000567980740 319233096 /nfs/dbraw/zinc/23/30/96/319233096.db2.gz KXNGRUACBSPPGI-GFCCVEGCSA-N -1 1 346.343 2.530 20 5 EFBDMM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000571403571 319570993 /nfs/dbraw/zinc/57/09/93/319570993.db2.gz LLBQVYPLTZZGBR-SNVBAGLBSA-N -1 1 340.323 2.850 20 5 EFBDMM COc1cc(C(=O)[N-]c2nnc(C3CC3)s2)c([N+](=O)[O-])cc1F ZINC000577972417 320160981 /nfs/dbraw/zinc/16/09/81/320160981.db2.gz MYUFZJPHVXGNLW-UHFFFAOYSA-N -1 1 338.320 2.724 20 5 EFBDMM CCc1cccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000006619892 471555519 /nfs/dbraw/zinc/55/55/19/471555519.db2.gz YKXFEWZDUIVNPH-UHFFFAOYSA-N -1 1 336.369 2.967 20 5 EFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1CCCC1 ZINC000008055539 471658441 /nfs/dbraw/zinc/65/84/41/471658441.db2.gz MKNFOMPOZYXQLM-UHFFFAOYSA-N -1 1 347.396 2.996 20 5 EFBDMM O=C(NCCCSc1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000016497006 471939119 /nfs/dbraw/zinc/93/91/19/471939119.db2.gz AJEBWABCUXTJHT-UHFFFAOYSA-N -1 1 333.369 2.608 20 5 EFBDMM CC(C)c1cc(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)on1 ZINC000071905364 472612771 /nfs/dbraw/zinc/61/27/71/472612771.db2.gz WEDAJYLVHCOSRM-UHFFFAOYSA-N -1 1 342.315 2.744 20 5 EFBDMM CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092730258 472973918 /nfs/dbraw/zinc/97/39/18/472973918.db2.gz MBDPUCXDLQSCEG-KBPBESRZSA-N -1 1 349.431 2.817 20 5 EFBDMM CCSCC[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000135345187 473059953 /nfs/dbraw/zinc/05/99/53/473059953.db2.gz SGDWHZNHFOFXTA-SECBINFHSA-N -1 1 336.410 2.544 20 5 EFBDMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)ccc1[N+](=O)[O-] ZINC000093930619 473164042 /nfs/dbraw/zinc/16/40/42/473164042.db2.gz HIIHBPJQZQVKQZ-UHFFFAOYSA-N -1 1 334.353 2.639 20 5 EFBDMM CC(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[nH]n1 ZINC000126162429 473494655 /nfs/dbraw/zinc/49/46/55/473494655.db2.gz FUTWBUPOXRNIAF-UHFFFAOYSA-N -1 1 344.780 2.896 20 5 EFBDMM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000115721066 473597690 /nfs/dbraw/zinc/59/76/90/473597690.db2.gz JQHNGCICDXADSI-DGCLKSJQSA-N -1 1 327.340 2.714 20 5 EFBDMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000187054649 473810307 /nfs/dbraw/zinc/81/03/07/473810307.db2.gz GHRCWEAOQZGOQZ-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM CCO[C@H]1C[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C12CCCCC2 ZINC000187131631 473823730 /nfs/dbraw/zinc/82/37/30/473823730.db2.gz CAUZJLSKKAPMPN-KGLIPLIRSA-N -1 1 349.387 2.553 20 5 EFBDMM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187153957 473827893 /nfs/dbraw/zinc/82/78/93/473827893.db2.gz QXXUEALIQGOFCM-AWEZNQCLSA-N -1 1 347.346 2.832 20 5 EFBDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1C ZINC000194175001 473854774 /nfs/dbraw/zinc/85/47/74/473854774.db2.gz NWTXLHTZKWOJNS-UHFFFAOYSA-N -1 1 349.368 2.662 20 5 EFBDMM CC(C)(C)SCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000263845717 473874398 /nfs/dbraw/zinc/87/43/98/473874398.db2.gz KGXFBQFGBJLWSK-UHFFFAOYSA-N -1 1 336.410 2.544 20 5 EFBDMM Cc1cccc([N+](=O)[O-])c1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000282007258 473915878 /nfs/dbraw/zinc/91/58/78/473915878.db2.gz WTUQTMKNBNEMME-UHFFFAOYSA-N -1 1 345.321 2.798 20 5 EFBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000188391442 474078799 /nfs/dbraw/zinc/07/87/99/474078799.db2.gz GRVCYVFZJLPYJL-NSHDSACASA-N -1 1 329.356 2.792 20 5 EFBDMM CC1CCC(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2)CC1 ZINC000182021474 474082820 /nfs/dbraw/zinc/08/28/20/474082820.db2.gz XIFHUNWETOZHIT-UHFFFAOYSA-N -1 1 347.415 2.637 20 5 EFBDMM CC(C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000188407896 474084499 /nfs/dbraw/zinc/08/44/99/474084499.db2.gz UZDGELBAXDOWKQ-UHFFFAOYSA-N -1 1 333.319 2.542 20 5 EFBDMM O=C(NCCCc1c[nH]c2ccccc12)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188443042 474096927 /nfs/dbraw/zinc/09/69/27/474096927.db2.gz FHAXAPAHCVNNNO-UHFFFAOYSA-N -1 1 340.339 2.539 20 5 EFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000184091878 474472108 /nfs/dbraw/zinc/47/21/08/474472108.db2.gz VAXHQQVAPCCFQL-SECBINFHSA-N -1 1 349.293 2.603 20 5 EFBDMM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000176525092 474493197 /nfs/dbraw/zinc/49/31/97/474493197.db2.gz RJFQBEOCUDKXHI-BXUZGUMPSA-N -1 1 327.340 2.714 20 5 EFBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000271362331 474510749 /nfs/dbraw/zinc/51/07/49/474510749.db2.gz NOCUURPDKINLPV-UHFFFAOYSA-N -1 1 346.315 2.673 20 5 EFBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC(CO)(c2ccccc2)CC1 ZINC000339222126 475054093 /nfs/dbraw/zinc/05/40/93/475054093.db2.gz SVCZEIDLHHOSSZ-UHFFFAOYSA-N -1 1 342.395 2.827 20 5 EFBDMM CCNC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1C ZINC000345399829 475160590 /nfs/dbraw/zinc/16/05/90/475160590.db2.gz ALQPSNIMVCIOGM-UHFFFAOYSA-N -1 1 331.332 2.625 20 5 EFBDMM COC(=O)c1ccc([N+](=O)[O-])c([N-]c2cnn(-c3ccccc3)c2)n1 ZINC000341771538 475289879 /nfs/dbraw/zinc/28/98/79/475289879.db2.gz IMYSAUVLXUTLOB-UHFFFAOYSA-N -1 1 339.311 2.706 20 5 EFBDMM CCCOC1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCCCC1 ZINC000361595076 475581907 /nfs/dbraw/zinc/58/19/07/475581907.db2.gz SHAALCYKMDMUHD-UHFFFAOYSA-N -1 1 337.376 2.555 20 5 EFBDMM C[C@@]1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC000354994818 475584550 /nfs/dbraw/zinc/58/45/50/475584550.db2.gz BGUFESTURRYEBN-DYVFJYSZSA-N -1 1 327.340 2.619 20 5 EFBDMM Cc1nc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[n-]c(=O)c1C ZINC000346719400 475796949 /nfs/dbraw/zinc/79/69/49/475796949.db2.gz AFBCDAIIMOKVNC-SNVBAGLBSA-N -1 1 348.384 2.827 20 5 EFBDMM O=C(Nc1ccc(NC2CCOCC2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000343349259 475973745 /nfs/dbraw/zinc/97/37/45/475973745.db2.gz AXOPTDSPEOQEAF-UHFFFAOYSA-N -1 1 330.344 2.766 20 5 EFBDMM Cc1ccc2c(c1)CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)(C)C2 ZINC000358889175 476013792 /nfs/dbraw/zinc/01/37/92/476013792.db2.gz ZOLOHASWMISYGO-UHFFFAOYSA-N -1 1 341.367 2.981 20 5 EFBDMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1csc([N+](=O)[O-])c1 ZINC000362195322 476063851 /nfs/dbraw/zinc/06/38/51/476063851.db2.gz JNXULMCAZSWMFA-UHFFFAOYSA-N -1 1 338.292 2.865 20 5 EFBDMM Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000344244269 476177087 /nfs/dbraw/zinc/17/70/87/476177087.db2.gz JVMAGHJWONBRGA-UHFFFAOYSA-N -1 1 330.344 2.622 20 5 EFBDMM CC(C)Oc1cccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000302935956 476212566 /nfs/dbraw/zinc/21/25/66/476212566.db2.gz JFHFKIYETZQZDQ-LLVKDONJSA-N -1 1 345.355 2.974 20 5 EFBDMM CCOc1cccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000302959105 476214034 /nfs/dbraw/zinc/21/40/34/476214034.db2.gz GCWROEIHNNILFH-JTQLQIEISA-N -1 1 331.328 2.585 20 5 EFBDMM Cc1ccc(OCCCCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000303008972 476215965 /nfs/dbraw/zinc/21/59/65/476215965.db2.gz WKRMLALWWKXWST-UHFFFAOYSA-N -1 1 345.355 2.593 20 5 EFBDMM CC(C)(NC(=O)c1ccccc1)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000347268246 476216239 /nfs/dbraw/zinc/21/62/39/476216239.db2.gz OQGKVAKBNFBFHN-UHFFFAOYSA-N -1 1 341.327 2.638 20 5 EFBDMM CN(C)C(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1Cl ZINC000340745507 476246903 /nfs/dbraw/zinc/24/69/03/476246903.db2.gz RVTNIXXSFFJYFL-UHFFFAOYSA-N -1 1 336.735 2.530 20 5 EFBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000357329631 476333449 /nfs/dbraw/zinc/33/34/49/476333449.db2.gz DMEZVCNEGJBGPA-UHFFFAOYSA-N -1 1 348.380 2.988 20 5 EFBDMM CCC(=O)c1ccc(N2CCC(c3n[n-]c(=O)o3)CC2)c([N+](=O)[O-])c1 ZINC000377358017 476366432 /nfs/dbraw/zinc/36/64/32/476366432.db2.gz LOHVVQFNKLTLCY-UHFFFAOYSA-N -1 1 346.343 2.660 20 5 EFBDMM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000443205542 476710259 /nfs/dbraw/zinc/71/02/59/476710259.db2.gz SYADGCWOOFSENA-LDYMZIIASA-N -1 1 340.323 2.850 20 5 EFBDMM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000443205535 476710349 /nfs/dbraw/zinc/71/03/49/476710349.db2.gz SYADGCWOOFSENA-KCJUWKMLSA-N -1 1 340.323 2.850 20 5 EFBDMM O=C(NC[C@H]1CCCCC(F)(F)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000451945634 476737535 /nfs/dbraw/zinc/73/75/35/476737535.db2.gz JLFKKCMUXVMTSB-VIFPVBQESA-N -1 1 329.303 2.641 20 5 EFBDMM CC(C)(c1ccccc1)C1(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000456823767 476751520 /nfs/dbraw/zinc/75/15/20/476751520.db2.gz ZSJWTJKKDPOASC-UHFFFAOYSA-N -1 1 341.367 2.936 20 5 EFBDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]n2)o1 ZINC000446628998 476898172 /nfs/dbraw/zinc/89/81/72/476898172.db2.gz QRNWQESJJPNFLM-UHFFFAOYSA-N -1 1 348.340 2.687 20 5 EFBDMM CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000447063664 476945861 /nfs/dbraw/zinc/94/58/61/476945861.db2.gz ONXPLKWQGSOJJC-UHFFFAOYSA-N -1 1 332.360 2.593 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000375711184 476966971 /nfs/dbraw/zinc/96/69/71/476966971.db2.gz LQWXLXQZTNJMSH-CYBMUJFWSA-N -1 1 349.293 2.951 20 5 EFBDMM Nc1ccc([N+](=O)[O-])c(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000366996754 477289177 /nfs/dbraw/zinc/28/91/77/477289177.db2.gz OVCHQBWFYBIOBI-UHFFFAOYSA-N -1 1 341.367 2.982 20 5 EFBDMM COc1ccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1[N+](=O)[O-] ZINC000436747667 477578943 /nfs/dbraw/zinc/57/89/43/477578943.db2.gz MKFSJGGRNYSYPY-UHFFFAOYSA-N -1 1 345.311 2.520 20 5 EFBDMM CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccco1 ZINC000436867635 477619649 /nfs/dbraw/zinc/61/96/49/477619649.db2.gz DQTVKDJIEDARSU-AWEZNQCLSA-N -1 1 347.371 2.706 20 5 EFBDMM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc([O-])cc1 ZINC000436904907 477631109 /nfs/dbraw/zinc/63/11/09/477631109.db2.gz MGKOAFRCRFXGEW-UHFFFAOYSA-N -1 1 342.351 2.622 20 5 EFBDMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000438237571 477811765 /nfs/dbraw/zinc/81/17/65/477811765.db2.gz TWJDRNORWHOWSS-UHFFFAOYSA-N -1 1 344.780 2.643 20 5 EFBDMM O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000438469237 477847347 /nfs/dbraw/zinc/84/73/47/477847347.db2.gz MATCEUIGMGOWFL-MGCOHNPYSA-N -1 1 331.303 2.511 20 5 EFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCCC(F)(F)F ZINC000439238044 477947082 /nfs/dbraw/zinc/94/70/82/477947082.db2.gz PQCXJBNVZGQPEI-UHFFFAOYSA-N -1 1 346.714 2.869 20 5 EFBDMM O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000439241872 477947370 /nfs/dbraw/zinc/94/73/70/477947370.db2.gz YKBPZVHFCFNDDR-RKDXNWHRSA-N -1 1 347.293 2.794 20 5 EFBDMM Cc1ccc(CC(C)(C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000517224572 478066110 /nfs/dbraw/zinc/06/61/10/478066110.db2.gz VZILDKDFWQZXHT-UHFFFAOYSA-N -1 1 349.412 2.598 20 5 EFBDMM C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Sc1ccccc1 ZINC000440326944 478105658 /nfs/dbraw/zinc/10/56/58/478105658.db2.gz PWGMBLBCZFPTGS-SNVBAGLBSA-N -1 1 333.369 2.606 20 5 EFBDMM CCOC(=O)c1cc(C(=O)Nc2cccc([O-])c2F)cc([N+](=O)[O-])c1 ZINC000534944725 478180171 /nfs/dbraw/zinc/18/01/71/478180171.db2.gz SVVWPLAAPGUTGT-UHFFFAOYSA-N -1 1 348.286 2.869 20 5 EFBDMM C[C@@H](C(=O)Nc1nc(-c2ccccn2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000518880410 478196331 /nfs/dbraw/zinc/19/63/31/478196331.db2.gz GCBGUDKOYKWORO-SNVBAGLBSA-N -1 1 338.327 2.517 20 5 EFBDMM CC[C@@H](CCc1ccccc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600252654 478311746 /nfs/dbraw/zinc/31/17/46/478311746.db2.gz LCXOUYFAAFKECH-AWEZNQCLSA-N -1 1 329.356 2.837 20 5 EFBDMM C[C@H]1CCc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000539795974 478437904 /nfs/dbraw/zinc/43/79/04/478437904.db2.gz WXHBRPKWXWYWRZ-XHDPSFHLSA-N -1 1 347.396 2.592 20 5 EFBDMM CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C ZINC000570930565 478481947 /nfs/dbraw/zinc/48/19/47/478481947.db2.gz XLIUMAKVFRQQRQ-VHSXEESVSA-N -1 1 341.795 2.509 20 5 EFBDMM CCN1C[C@@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C ZINC000570930565 478481957 /nfs/dbraw/zinc/48/19/57/478481957.db2.gz XLIUMAKVFRQQRQ-VHSXEESVSA-N -1 1 341.795 2.509 20 5 EFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C1CCC(C2CCC2)CC1 ZINC000595384739 478757118 /nfs/dbraw/zinc/75/71/18/478757118.db2.gz LZYGDUSLFIXOHX-UHFFFAOYSA-N -1 1 339.417 2.627 20 5 EFBDMM CCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000543858865 478793677 /nfs/dbraw/zinc/79/36/77/478793677.db2.gz SFNDVYPNUUCEOI-UHFFFAOYSA-N -1 1 336.369 2.967 20 5 EFBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)c1 ZINC000583381729 478837710 /nfs/dbraw/zinc/83/77/10/478837710.db2.gz YXYRWTJJYQEBHM-UHFFFAOYSA-N -1 1 336.373 2.776 20 5 EFBDMM CO[C@@H](CS(=O)(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1C)C(C)C ZINC000592350329 478865684 /nfs/dbraw/zinc/86/56/84/478865684.db2.gz LKSBBCRGVMAAQB-AWEZNQCLSA-N -1 1 330.406 2.624 20 5 EFBDMM CC1(C)C[C@@]1(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000598549773 478889977 /nfs/dbraw/zinc/88/99/77/478889977.db2.gz DCXHXTJPFRUVLR-QGZVFWFLSA-N -1 1 327.340 2.751 20 5 EFBDMM Cc1noc(C2CC2)c1[N-]C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000545211775 478898676 /nfs/dbraw/zinc/89/86/76/478898676.db2.gz YEXCEEIGTRABKP-UHFFFAOYSA-N -1 1 345.311 2.792 20 5 EFBDMM Cc1oc(CN(C)CCOc2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000565103959 478914363 /nfs/dbraw/zinc/91/43/63/478914363.db2.gz CUQAWPIZJACWCP-UHFFFAOYSA-N -1 1 334.328 2.705 20 5 EFBDMM CCCCn1ncc([N-]c2nccc(C(=O)OC)c2[N+](=O)[O-])c1C ZINC000598607094 478923328 /nfs/dbraw/zinc/92/33/28/478923328.db2.gz NAAUQWODSUUEAM-UHFFFAOYSA-N -1 1 333.348 2.825 20 5 EFBDMM O=C([O-])[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000514867210 479080704 /nfs/dbraw/zinc/08/07/04/479080704.db2.gz RFTFKILTVPNLBH-GFCCVEGCSA-N -1 1 331.328 2.546 20 5 EFBDMM CCO[C@H]1C[C@@H](N(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1(C)C ZINC000593738032 479440167 /nfs/dbraw/zinc/44/01/67/479440167.db2.gz KVRIVGPUMAXUDN-CABCVRRESA-N -1 1 336.388 2.928 20 5 EFBDMM CCN(CCc1nccs1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593742570 479443382 /nfs/dbraw/zinc/44/33/82/479443382.db2.gz WJPQTMYHZYBXFG-UHFFFAOYSA-N -1 1 335.385 2.814 20 5 EFBDMM O=C([O-])CC[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000593753469 479447079 /nfs/dbraw/zinc/44/70/79/479447079.db2.gz UQCUAKSERAIQDS-LLVKDONJSA-N -1 1 333.344 2.813 20 5 EFBDMM CCC[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000610259570 480263424 /nfs/dbraw/zinc/26/34/24/480263424.db2.gz FUPHYVQLZVJGEQ-CYBMUJFWSA-N -1 1 335.385 2.810 20 5 EFBDMM CC(C)c1ccc(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000610259484 480263431 /nfs/dbraw/zinc/26/34/31/480263431.db2.gz DVSLQMYBVXYVII-UHFFFAOYSA-N -1 1 349.412 2.634 20 5 EFBDMM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c(C)c1 ZINC000610263301 480265172 /nfs/dbraw/zinc/26/51/72/480265172.db2.gz UFBMAMFVNRVSDX-CYBMUJFWSA-N -1 1 349.412 2.516 20 5 EFBDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000610262591 480265228 /nfs/dbraw/zinc/26/52/28/480265228.db2.gz ODPWGTOAHGOEFK-GFCCVEGCSA-N -1 1 349.412 2.634 20 5 EFBDMM Cc1cccc(C(C)(C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000610264851 480265405 /nfs/dbraw/zinc/26/54/05/480265405.db2.gz AEJFOGGBNYLVRU-UHFFFAOYSA-N -1 1 335.385 2.512 20 5 EFBDMM CC1(C)c2ccccc2CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618389103 480653727 /nfs/dbraw/zinc/65/37/27/480653727.db2.gz TZSFMDXEOTVNLJ-UHFFFAOYSA-N -1 1 327.340 2.629 20 5 EFBDMM Cc1ccc(C[C@@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000187563715 534134539 /nfs/dbraw/zinc/13/45/39/534134539.db2.gz KMIWXHUGBPNKCV-HNNXBMFYSA-N -1 1 341.367 2.851 20 5 EFBDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000181332341 519708060 /nfs/dbraw/zinc/70/80/60/519708060.db2.gz SJHFKYJQUIOBLP-UHFFFAOYSA-N -1 1 349.368 2.662 20 5 EFBDMM Cc1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1[N+](=O)[O-] ZINC000078796568 525229246 /nfs/dbraw/zinc/22/92/46/525229246.db2.gz SFKLXQPOLVBCHU-UHFFFAOYSA-N -1 1 344.371 2.845 20 5 EFBDMM Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000172181820 525419738 /nfs/dbraw/zinc/41/97/38/525419738.db2.gz GIVQSIJWLXXQTO-UHFFFAOYSA-N -1 1 328.296 2.982 20 5 EFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccsc1 ZINC000146803928 527389485 /nfs/dbraw/zinc/38/94/85/527389485.db2.gz DBNPZOSUJNIZNL-UHFFFAOYSA-N -1 1 332.790 2.788 20 5 EFBDMM CCc1cc(=O)[n-]c(SCc2cc(OC)c(F)cc2[N+](=O)[O-])n1 ZINC000195063221 536092147 /nfs/dbraw/zinc/09/21/47/536092147.db2.gz IBMCRCZJDNJPTM-UHFFFAOYSA-N -1 1 339.348 2.681 20 5 EFBDMM COc1ccc(-c2ccc(CN3CCC[C@H]3C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000414673999 536895969 /nfs/dbraw/zinc/89/59/69/536895969.db2.gz DNPQTOQYXYYQFZ-AWEZNQCLSA-N -1 1 346.339 2.912 20 5 EFBDMM COc1cccc(C(=O)[N-]c2nnc(-c3ccco3)s2)c1[N+](=O)[O-] ZINC000435662248 537088243 /nfs/dbraw/zinc/08/82/43/537088243.db2.gz JKJNDCVFFRGGOD-UHFFFAOYSA-N -1 1 346.324 2.967 20 5 EFBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)CCC2CC2)ccc1Br ZINC000770645052 581121466 /nfs/dbraw/zinc/12/14/66/581121466.db2.gz SWYNMOJCELRYPJ-UHFFFAOYSA-N -1 1 349.206 2.899 20 5 EFBDMM Cc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[nH]nc1C1CC1 ZINC000760319191 576004370 /nfs/dbraw/zinc/00/43/70/576004370.db2.gz GLQUOGJYFVQJEN-UHFFFAOYSA-N -1 1 336.373 2.613 20 5 EFBDMM Cc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000725821415 577235700 /nfs/dbraw/zinc/23/57/00/577235700.db2.gz AOUIAFBICPYUEM-UHFFFAOYSA-N -1 1 344.776 2.671 20 5 EFBDMM CC(=O)[C@@H](Cc1ccccc1F)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000768777863 577301344 /nfs/dbraw/zinc/30/13/44/577301344.db2.gz JDHRLFJZQOHXTC-MRXNPFEDSA-N -1 1 347.298 2.797 20 5 EFBDMM Cc1ccc2c(c1)CC[C@@H]2[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768811410 577304867 /nfs/dbraw/zinc/30/48/67/577304867.db2.gz IMWMYNLDYQDJLY-ZDUSSCGKSA-N -1 1 338.410 2.931 20 5 EFBDMM Cc1cccc(NC(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1C ZINC000769045360 577327226 /nfs/dbraw/zinc/32/72/26/577327226.db2.gz BEOCPSRKMDGGLD-UHFFFAOYSA-N -1 1 344.323 2.713 20 5 EFBDMM CCOc1nc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)co1 ZINC000772168266 581291533 /nfs/dbraw/zinc/29/15/33/581291533.db2.gz PKPHBXILDACISU-UHFFFAOYSA-N -1 1 343.242 2.835 20 5 EFBDMM CC(=O)Nc1ccc(OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(F)c1 ZINC000773209562 581405482 /nfs/dbraw/zinc/40/54/82/581405482.db2.gz WTXVEWAYIVZZHR-UHFFFAOYSA-N -1 1 334.259 2.617 20 5 EFBDMM Cc1cc(OS(=O)(=O)c2cnc(C(C)C)[n-]2)c(F)cc1[N+](=O)[O-] ZINC000774883602 581503168 /nfs/dbraw/zinc/50/31/68/581503168.db2.gz FNHJSKYVYHSOCK-UHFFFAOYSA-N -1 1 343.336 2.657 20 5 EFBDMM Cc1cc(OS(=O)(=O)c2c[n-]c(C(C)C)n2)c(F)cc1[N+](=O)[O-] ZINC000774883602 581503169 /nfs/dbraw/zinc/50/31/69/581503169.db2.gz FNHJSKYVYHSOCK-UHFFFAOYSA-N -1 1 343.336 2.657 20 5 EFBDMM COc1ccc([C@H](NCc2cc(F)ccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000737967437 581505889 /nfs/dbraw/zinc/50/58/89/581505889.db2.gz AKFBRCPUDBOZEF-HNNXBMFYSA-N -1 1 334.303 2.658 20 5 EFBDMM O=C([O-])C[C@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000821516020 597459736 /nfs/dbraw/zinc/45/97/36/597459736.db2.gz MVBSSKIHTBJKHD-GFCCVEGCSA-N -1 1 345.355 2.937 20 5 EFBDMM C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(C(=O)[O-])CC1 ZINC000736727014 600034019 /nfs/dbraw/zinc/03/40/19/600034019.db2.gz ABPHLLIATDTZTH-JTQLQIEISA-N -1 1 346.343 2.502 20 5 EFBDMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000827928748 601012532 /nfs/dbraw/zinc/01/25/32/601012532.db2.gz OTGBAFUYKKVVBE-QWRGUYRKSA-N -1 1 346.343 2.528 20 5 EFBDMM C[C@@]1(C(=O)[O-])CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000828028918 601888109 /nfs/dbraw/zinc/88/81/09/601888109.db2.gz IFRGZRVVLWXJNS-CQSZACIVSA-N -1 1 337.357 2.626 20 5 EFBDMM COc1cc(OC)cc([C@H](NCc2ccccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC000832057763 602167291 /nfs/dbraw/zinc/16/72/91/602167291.db2.gz SEULBXFPSDSCRN-INIZCTEOSA-N -1 1 346.339 2.528 20 5 EFBDMM Cc1nn(CN2CCC(CCC(=O)[O-])CC2)c2ccc([N+](=O)[O-])cc12 ZINC000833016584 602199231 /nfs/dbraw/zinc/19/92/31/602199231.db2.gz BBMQCGBXAZKNJR-UHFFFAOYSA-N -1 1 346.387 2.787 20 5 EFBDMM C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1cccc([N+](=O)[O-])c1 ZINC000820456900 606457087 /nfs/dbraw/zinc/45/70/87/606457087.db2.gz WYVAPSFFHKFWQN-QMMMGPOBSA-N -1 1 345.750 2.996 20 5 EFBDMM C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1cccc([N+](=O)[O-])c1 ZINC000820456900 606457089 /nfs/dbraw/zinc/45/70/89/606457089.db2.gz WYVAPSFFHKFWQN-QMMMGPOBSA-N -1 1 345.750 2.996 20 5 EFBDMM CC(C)[C@@H]1CCC[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820038781 606707804 /nfs/dbraw/zinc/70/78/04/606707804.db2.gz RRZMJTWUDAOUON-GHMZBOCLSA-N -1 1 331.380 2.797 20 5 EFBDMM CC(C)[C@@H]1CCC[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000820038781 606707806 /nfs/dbraw/zinc/70/78/06/606707806.db2.gz RRZMJTWUDAOUON-GHMZBOCLSA-N -1 1 331.380 2.797 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1coc2ccccc12 ZINC000823624917 606711613 /nfs/dbraw/zinc/71/16/13/606711613.db2.gz KTJJXXDHRNWGTF-UHFFFAOYSA-N -1 1 337.299 2.528 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1coc2ccccc12 ZINC000823624917 606711615 /nfs/dbraw/zinc/71/16/15/606711615.db2.gz KTJJXXDHRNWGTF-UHFFFAOYSA-N -1 1 337.299 2.528 20 5 EFBDMM CN(c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])C1CCC(C)(C)CC1 ZINC000821619173 606719891 /nfs/dbraw/zinc/71/98/91/606719891.db2.gz LTKDPEASVCMZTF-UHFFFAOYSA-N -1 1 331.380 2.575 20 5 EFBDMM CN(c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])C1CCC(C)(C)CC1 ZINC000821619173 606719893 /nfs/dbraw/zinc/71/98/93/606719893.db2.gz LTKDPEASVCMZTF-UHFFFAOYSA-N -1 1 331.380 2.575 20 5 EFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000742320671 1270001289 /nfs/dbraw/zinc/00/12/89/1270001289.db2.gz YRLGKHPEIGFZNN-QJPTWQEYSA-N -1 1 342.392 2.981 20 5 EFBDMM CC(C)(C)c1ccc(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)c([N+](=O)[O-])c1 ZINC001170216872 1278890656 /nfs/dbraw/zinc/89/06/56/1278890656.db2.gz DJCMKKRBECILGT-UHFFFAOYSA-N -1 1 344.331 2.665 20 5 EFBDMM C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815009295 1287242269 /nfs/dbraw/zinc/24/22/69/1287242269.db2.gz DESGUPPMCGNHCJ-XVKPBYJWSA-N -1 1 336.772 2.854 20 5 EFBDMM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815009292 1287242789 /nfs/dbraw/zinc/24/27/89/1287242789.db2.gz DESGUPPMCGNHCJ-GMSGAONNSA-N -1 1 336.772 2.854 20 5 EFBDMM CC(C)N(CC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1Br ZINC000923243393 1277357255 /nfs/dbraw/zinc/35/72/55/1277357255.db2.gz FNWQKWJDAWJOTJ-UHFFFAOYSA-N -1 1 331.166 2.652 20 5 EFBDMM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC000805094438 1280449918 /nfs/dbraw/zinc/44/99/18/1280449918.db2.gz KSKHMGZYDSKGNJ-ZETCQYMHSA-N -1 1 347.805 2.744 20 5 EFBDMM C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809808193 1281128438 /nfs/dbraw/zinc/12/84/38/1281128438.db2.gz JFMRGGNLKYREOF-BQBZGAKWSA-N -1 1 339.200 2.836 20 5 EFBDMM CSCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809806247 1282472662 /nfs/dbraw/zinc/47/26/62/1282472662.db2.gz IFOLOXAZLKKOEA-UHFFFAOYSA-N -1 1 345.229 2.543 20 5 EFBDMM C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809815915 1282478117 /nfs/dbraw/zinc/47/81/17/1282478117.db2.gz WPRGBSARUKSBBZ-XVKPBYJWSA-N -1 1 336.772 2.854 20 5 EFBDMM CCC1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000809823872 1282522191 /nfs/dbraw/zinc/52/21/91/1282522191.db2.gz UVQLVJJAAFAUHR-UHFFFAOYSA-N -1 1 336.772 2.856 20 5 EFBDMM CS(=O)(=O)c1ccc([O-])c(Nc2ccc(/C=C/[N+](=O)[O-])cc2)c1 ZINC001175902690 1287603426 /nfs/dbraw/zinc/60/34/26/1287603426.db2.gz GTISSYYKIKULFZ-CMDGGOBGSA-N -1 1 334.353 2.787 20 5 EFBDMM CON(Cc1ccc(Cl)cc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000812799676 1285445270 /nfs/dbraw/zinc/44/52/70/1285445270.db2.gz DKSFRARDXLBUJK-UHFFFAOYSA-N -1 1 337.719 2.553 20 5 EFBDMM O=C([O-])c1ccc(Nc2ccnn2-c2ccncc2)cc1[N+](=O)[O-] ZINC001174503688 1287045085 /nfs/dbraw/zinc/04/50/85/1287045085.db2.gz HNDQBKQGAFIIBZ-UHFFFAOYSA-N -1 1 325.284 2.617 20 5 EFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1(c2ccccc2)CC1 ZINC000795560175 1290298891 /nfs/dbraw/zinc/29/88/91/1290298891.db2.gz VZDLQKUBDNLQJS-UHFFFAOYSA-N -1 1 341.319 2.758 20 5 EFBDMM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC000795963290 1291837323 /nfs/dbraw/zinc/83/73/23/1291837323.db2.gz KSKHMGZYDSKGNJ-SSDOTTSWSA-N -1 1 347.805 2.744 20 5 EFBDMM CCOC(=O)[C@@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)C1CC1 ZINC001233505887 1312946950 /nfs/dbraw/zinc/94/69/50/1312946950.db2.gz JBHWYNOITHZLFX-LBPRGKRZSA-N -1 1 339.735 2.845 20 5 EFBDMM O=C(c1ccc([O-])cc1)C1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882126196 1293106307 /nfs/dbraw/zinc/10/63/07/1293106307.db2.gz WBWVDLUOYCTQSW-UHFFFAOYSA-N -1 1 345.330 2.934 20 5 EFBDMM COC(=O)c1cc(C(=O)Nc2cc3cccnc3c3ncccc23)[n-]n1 ZINC001194288838 1293590982 /nfs/dbraw/zinc/59/09/82/1293590982.db2.gz OVSDTFZIQLAXFS-UHFFFAOYSA-N -1 1 347.334 2.545 20 5 EFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccccc1 ZINC000101567948 1293776142 /nfs/dbraw/zinc/77/61/42/1293776142.db2.gz ZYRAGTKXNQGVDK-UHFFFAOYSA-N -1 1 326.761 2.727 20 5 EFBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1ccccc1F ZINC000800051244 1293896162 /nfs/dbraw/zinc/89/61/62/1293896162.db2.gz HKSSHSUFMVVONK-UHFFFAOYSA-N -1 1 328.296 2.982 20 5 EFBDMM CC(=O)Nc1nc(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)cs1 ZINC000800149578 1293932541 /nfs/dbraw/zinc/93/25/41/1293932541.db2.gz QAZXNJRYFXFXKR-UHFFFAOYSA-N -1 1 338.320 2.710 20 5 EFBDMM O=c1c2c(O)ccc(O)c2oc2cc([O-])cc(O[C@@H]3CCCOC3)c12 ZINC001234124472 1313061633 /nfs/dbraw/zinc/06/16/33/1313061633.db2.gz JMZDWFCMOCHTNP-SNVBAGLBSA-N -1 1 344.319 2.621 20 5 EFBDMM COC(=O)c1cc(F)c(=O)[n-]c1O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001234608791 1313167206 /nfs/dbraw/zinc/16/72/06/1313167206.db2.gz MIVWZBXZXBJMAH-MRVPVSSYSA-N -1 1 336.275 2.761 20 5 EFBDMM COC(=O)C[C@@H](C)Oc1cc([O-])cc2oc3ccc(O)cc3c(=O)c12 ZINC001234745532 1313187695 /nfs/dbraw/zinc/18/76/95/1313187695.db2.gz UAVXXSOXVCNCAN-SECBINFHSA-N -1 1 344.319 2.688 20 5 EFBDMM O=c1c2cc(O)ccc2oc2cc([O-])cc(O[C@@H]3CCOC[C@H]3F)c12 ZINC001234747083 1313188562 /nfs/dbraw/zinc/18/85/62/1313188562.db2.gz HZHSJWGWFYNKCI-TZMCWYRMSA-N -1 1 346.310 2.863 20 5 EFBDMM CC(C)N1CC(Oc2c([O-])cc(Br)cc2[N+](=O)[O-])C1 ZINC001234875203 1313201645 /nfs/dbraw/zinc/20/16/45/1313201645.db2.gz DZNGGELUEUNLJP-UHFFFAOYSA-N -1 1 331.166 2.534 20 5 EFBDMM CC1(C)OC[C@H](COc2c([O-])cc(Br)cc2[N+](=O)[O-])O1 ZINC001234877204 1313201759 /nfs/dbraw/zinc/20/17/59/1313201759.db2.gz MGNSMVKJMRRBKU-QMMMGPOBSA-N -1 1 348.149 2.593 20 5 EFBDMM C[C@@H]1COCC[C@H]1Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234874077 1313201773 /nfs/dbraw/zinc/20/17/73/1313201773.db2.gz IPSZBNMGWVRWRV-RDDDGLTNSA-N -1 1 332.150 2.867 20 5 EFBDMM O=[N+]([O-])c1cc(Br)cc([O-])c1O[C@H]1CCOC[C@@H]1F ZINC001234875847 1313201893 /nfs/dbraw/zinc/20/18/93/1313201893.db2.gz WAJZGMSGZWYUCA-XVKPBYJWSA-N -1 1 336.113 2.569 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c1 ZINC000853989736 1300378729 /nfs/dbraw/zinc/37/87/29/1300378729.db2.gz RGHRLBLPURVTEL-MNOVXSKESA-N -1 1 345.321 2.797 20 5 EFBDMM Nc1ccc(Nc2nc(Br)ccc2[O-])cc1[N+](=O)[O-] ZINC001209931740 1314260889 /nfs/dbraw/zinc/26/08/89/1314260889.db2.gz CZFVZCWBUGIUIS-UHFFFAOYSA-N -1 1 325.122 2.784 20 5 EFBDMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2cncc(Cl)c2)c1 ZINC000800927825 1308684924 /nfs/dbraw/zinc/68/49/24/1308684924.db2.gz CLRIXBBGGHMLJR-UHFFFAOYSA-N -1 1 331.712 2.583 20 5 EFBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N(C)c1ccccc1 ZINC000780068682 1310945370 /nfs/dbraw/zinc/94/53/70/1310945370.db2.gz NBMHGPYNJAVYCZ-LLVKDONJSA-N -1 1 344.323 2.509 20 5 EFBDMM COc1ncc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1Cl ZINC000780074819 1311106775 /nfs/dbraw/zinc/10/67/75/1311106775.db2.gz KLNALMKCKISEMN-UHFFFAOYSA-N -1 1 338.703 2.714 20 5 EFBDMM CCN(CC)C(=O)[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001225665621 1311561702 /nfs/dbraw/zinc/56/17/02/1311561702.db2.gz CHLJNMFOEKQYQC-HNNXBMFYSA-N -1 1 345.355 2.684 20 5 EFBDMM CCN(CC)C(=O)[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC001225665621 1311561704 /nfs/dbraw/zinc/56/17/04/1311561704.db2.gz CHLJNMFOEKQYQC-HNNXBMFYSA-N -1 1 345.355 2.684 20 5 EFBDMM CCCCOC[C@H](C)OC[C@H](C)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225664104 1311561992 /nfs/dbraw/zinc/56/19/92/1311561992.db2.gz JQFHQTZWKUQNQD-RYUDHWBXSA-N -1 1 328.365 2.685 20 5 EFBDMM COC(=O)[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001225667653 1311562713 /nfs/dbraw/zinc/56/27/13/1311562713.db2.gz VLMYUOVLHNVKQI-LBPRGKRZSA-N -1 1 338.703 2.642 20 5 EFBDMM COC(=O)[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001225667653 1311562715 /nfs/dbraw/zinc/56/27/15/1311562715.db2.gz VLMYUOVLHNVKQI-LBPRGKRZSA-N -1 1 338.703 2.642 20 5 EFBDMM NCc1nccnc1[N-]c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001160246601 1311672503 /nfs/dbraw/zinc/67/25/03/1311672503.db2.gz VQDMWIKAKPNBBA-UHFFFAOYSA-N -1 1 330.735 2.789 20 5 EFBDMM C[C@H](Oc1[n-]c(=O)ncc1Br)c1cccc([N+](=O)[O-])c1 ZINC001227137449 1311767123 /nfs/dbraw/zinc/76/71/23/1311767123.db2.gz JFLUJHOTUJMJCL-ZETCQYMHSA-N -1 1 340.133 2.993 20 5 EFBDMM O=c1c2cc(O[C@H]3CCOC[C@H]3F)c([O-])cc2oc2cccc(O)c12 ZINC001227310150 1311792262 /nfs/dbraw/zinc/79/22/62/1311792262.db2.gz TXRGKJHLHRZTOG-MFKMUULPSA-N -1 1 346.310 2.863 20 5 EFBDMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001228554877 1311964298 /nfs/dbraw/zinc/96/42/98/1311964298.db2.gz NEGWJADBOAFWAB-VIFPVBQESA-N -1 1 349.343 2.571 20 5 EFBDMM C[C@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])c1cncnc1 ZINC001228859502 1312010651 /nfs/dbraw/zinc/01/06/51/1312010651.db2.gz KJHMDFVCTOIBLC-LURJTMIESA-N -1 1 330.222 2.644 20 5 EFBDMM CC[C@H]1OC(=O)C(Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])=C1C ZINC001228860650 1312011283 /nfs/dbraw/zinc/01/12/83/1312011283.db2.gz WSOQJAMYJFKJJZ-SSDOTTSWSA-N -1 1 348.233 2.702 20 5 EFBDMM COC[C@H](C)OC[C@@H](C)OC[C@@H](C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229394803 1312088347 /nfs/dbraw/zinc/08/83/47/1312088347.db2.gz CAGDHGNABDFXOX-YNEHKIRRSA-N -1 1 343.376 2.524 20 5 EFBDMM COC[C@H](C)OC[C@@H](C)OC[C@H](C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229394801 1312088545 /nfs/dbraw/zinc/08/85/45/1312088545.db2.gz CAGDHGNABDFXOX-XQQFMLRXSA-N -1 1 343.376 2.524 20 5 EFBDMM CCOC(=O)[C@@H](C)[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F ZINC001229398220 1312088724 /nfs/dbraw/zinc/08/87/24/1312088724.db2.gz ROOIZWNRHXWXFA-WRWORJQWSA-N -1 1 337.250 2.809 20 5 EFBDMM O=[N+]([O-])c1ccc([O-])c(O[C@H]2CCN3Cc4ccccc4N=C23)c1 ZINC001229396477 1312089024 /nfs/dbraw/zinc/08/90/24/1312089024.db2.gz UXAVNDIXMYJMCD-HNNXBMFYSA-N -1 1 325.324 2.997 20 5 EFBDMM CC1(C)COC(=O)[C@H]1Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229513861 1312108725 /nfs/dbraw/zinc/10/87/25/1312108725.db2.gz BWEROSSYXZFQCO-QGZVFWFLSA-N -1 1 340.331 2.982 20 5 EFBDMM Cc1cc([O-])c(OC2CCN(C(=O)OC(C)C)CC2)cc1[N+](=O)[O-] ZINC001229751598 1312133004 /nfs/dbraw/zinc/13/30/04/1312133004.db2.gz WHCOKLZDEYGNDV-UHFFFAOYSA-N -1 1 338.360 2.997 20 5 EFBDMM Cc1cc([O-])c(O[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC001229754141 1312133302 /nfs/dbraw/zinc/13/33/02/1312133302.db2.gz NFBCIPGPOXFRPC-QMTHXVAHSA-N -1 1 338.360 2.995 20 5 EFBDMM O=c1oc2cc([O-])ccc2c2cc(O[C@@H]3CCOC[C@H]3F)c(O)cc12 ZINC001229804844 1312142755 /nfs/dbraw/zinc/14/27/55/1312142755.db2.gz FTBNWFZPYYDHPU-UKRRQHHQSA-N -1 1 346.310 2.863 20 5 EFBDMM Cc1cc([O-])c([N+](=O)[O-])c(OC2CC(C)(C)N(O)C(C)(C)C2)n1 ZINC001231258771 1312465762 /nfs/dbraw/zinc/46/57/62/1312465762.db2.gz CJBUVCASBSWACY-UHFFFAOYSA-N -1 1 325.365 2.793 20 5 EFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C(=O)OC(C)(C)C)C(C)C)n1 ZINC001231262303 1312466195 /nfs/dbraw/zinc/46/61/95/1312466195.db2.gz FEAGJCYRNWJZJK-LBPRGKRZSA-N -1 1 326.349 2.749 20 5 EFBDMM COc1ccc2c(c1)CC[C@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])C2 ZINC001231261463 1312466350 /nfs/dbraw/zinc/46/63/50/1312466350.db2.gz BIEUDIITAXMGPP-AWEZNQCLSA-N -1 1 330.340 2.949 20 5 EFBDMM Cc1cc([O-])c([N+](=O)[O-])c(OCc2cc(OC(C)C)ncc2F)n1 ZINC001231262317 1312466363 /nfs/dbraw/zinc/46/63/63/1312466363.db2.gz FIAQFXNHNWNFRR-UHFFFAOYSA-N -1 1 337.307 2.904 20 5 EFBDMM Cc1ccc(N2CCC[C@@H](Oc3nc(C)cc([O-])c3[N+](=O)[O-])C2)nc1 ZINC001231261514 1312466463 /nfs/dbraw/zinc/46/64/63/1312466463.db2.gz BNUPYERTOYUSPN-CYBMUJFWSA-N -1 1 344.371 2.755 20 5 EFBDMM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000119344882 1314618349 /nfs/dbraw/zinc/61/83/49/1314618349.db2.gz IOCGLBIUGXWQAL-ZETCQYMHSA-N -1 1 348.352 2.974 20 5 EFBDMM C[C@H]1CC[C@@H](Oc2cc3c([O-])c4c(=O)cccc-4oc3cc2[O-])C[NH2+]1 ZINC001218398709 1315190001 /nfs/dbraw/zinc/19/00/01/1315190001.db2.gz MGQQFUVEOKOSRV-WDEREUQCSA-N -1 1 341.363 2.877 20 5 EFBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(OC[C@H]3C[C@H](O)C3)c12 ZINC001218429812 1315194855 /nfs/dbraw/zinc/19/48/55/1315194855.db2.gz LGPFLKLNTJRXRU-MGCOHNPYSA-N -1 1 328.320 2.507 20 5 EFBDMM O=[N+]([O-])c1ccc(-c2nc3ccc(N4CCOCC4)cc3[nH]2)cc1[O-] ZINC001250880448 1315287079 /nfs/dbraw/zinc/28/70/79/1315287079.db2.gz KNMYSVUYWVQPEU-UHFFFAOYSA-N -1 1 340.339 2.680 20 5 EFBDMM O=[N+]([O-])c1ccc([O-])c(-c2nc3ccc(N4CCOCC4)cc3[nH]2)c1 ZINC001251045941 1315314321 /nfs/dbraw/zinc/31/43/21/1315314321.db2.gz PZLZARYXWVLTME-UHFFFAOYSA-N -1 1 340.339 2.680 20 5 EFBDMM O=[N+]([O-])c1cccc(-c2nc3ccc(N4CCOCC4)cc3[nH]2)c1[O-] ZINC001251272243 1315336659 /nfs/dbraw/zinc/33/66/59/1315336659.db2.gz SEGXTGJGYYADHX-UHFFFAOYSA-N -1 1 340.339 2.680 20 5 EFBDMM CCc1ccc(C(=O)OCC(=O)c2ccc([O-])cc2O)cc1[N+](=O)[O-] ZINC001318883678 1328731699 /nfs/dbraw/zinc/73/16/99/1328731699.db2.gz IOCUPNFJOGVFHE-UHFFFAOYSA-N -1 1 345.307 2.608 20 5 EFBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)c(F)c1 ZINC001320960181 1329325096 /nfs/dbraw/zinc/32/50/96/1329325096.db2.gz GSSOXTNRGZUAND-SSDOTTSWSA-N -1 1 339.710 2.979 20 5 EFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCCC(F)F ZINC001332765524 1331019434 /nfs/dbraw/zinc/01/94/34/1331019434.db2.gz RFUBVSGJWGLXGR-UHFFFAOYSA-N -1 1 328.724 2.572 20 5 EFBDMM O=C([N-]CCC(F)(F)F)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848588782 1334808024 /nfs/dbraw/zinc/80/80/24/1334808024.db2.gz YUAZDFXMOYUAHV-UHFFFAOYSA-N -1 1 328.193 2.635 20 5 EFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2C=CCC2)c(Cl)cc1Cl ZINC000849428010 1335613716 /nfs/dbraw/zinc/61/37/16/1335613716.db2.gz OAQFCTIJXACWLK-SSDOTTSWSA-N -1 1 337.184 2.899 20 5 EFBDMM CCCN(C[C@H]1CCCCO1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736469997 1426462576 /nfs/dbraw/zinc/46/25/76/1426462576.db2.gz IBYJJBDTQQYQJA-CYBMUJFWSA-N -1 1 346.391 2.560 20 5 EFBDMM COc1ccc(-c2nnn[n-]2)cc1COc1cc(F)ccc1[N+](=O)[O-] ZINC000821749791 1428776548 /nfs/dbraw/zinc/77/65/48/1428776548.db2.gz YHPFYQVVFOBESC-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM COc1ccc(OCc2cc(F)ccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821845868 1428817942 /nfs/dbraw/zinc/81/79/42/1428817942.db2.gz KPZGLTKWLIQPNM-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccccc1[N+](=O)[O-] ZINC000821413210 1428928602 /nfs/dbraw/zinc/92/86/02/1428928602.db2.gz YDDBYLYUXNGTRO-UHFFFAOYSA-N -1 1 340.343 2.786 20 5 EFBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822213096 1429068374 /nfs/dbraw/zinc/06/83/74/1429068374.db2.gz UIMOTLROJNWFMN-UHFFFAOYSA-N -1 1 338.327 2.644 20 5 EFBDMM CCO[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C12CCC2 ZINC000825583526 1429094017 /nfs/dbraw/zinc/09/40/17/1429094017.db2.gz VDHOENMHAOMXDS-UONOGXRCSA-N -1 1 344.375 2.535 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CCCc3sccc3C2)c(-c2nnn[n-]2)c1 ZINC000738370369 1429107654 /nfs/dbraw/zinc/10/76/54/1429107654.db2.gz PDROPPWNDMLLQK-UHFFFAOYSA-N -1 1 342.384 2.789 20 5 EFBDMM O=[N+]([O-])c1ccc2nc(NCC3CCCC3)cc(-c3nnn[n-]3)c2c1 ZINC000738367528 1429506214 /nfs/dbraw/zinc/50/62/14/1429506214.db2.gz USCGVWWASZERDF-UHFFFAOYSA-N -1 1 339.359 2.925 20 5 EFBDMM O=[N+]([O-])c1cc(Cl)cnc1Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823634485 1423854174 /nfs/dbraw/zinc/85/41/74/1423854174.db2.gz HLOWQKIHSBVQLF-UHFFFAOYSA-N -1 1 336.670 2.755 20 5 EFBDMM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000104367613 1424444010 /nfs/dbraw/zinc/44/40/10/1424444010.db2.gz SRXLLBXXZJZHEI-UHFFFAOYSA-N -1 1 349.310 2.509 20 5 EFBDMM Cc1c(OCc2ccc(F)cc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000737218516 1424861343 /nfs/dbraw/zinc/86/13/43/1424861343.db2.gz KJRWWWSAANPFDG-UHFFFAOYSA-N -1 1 329.291 2.801 20 5 EFBDMM O=[N+]([O-])c1ccc(Cl)cc1CNCc1ccc(-c2nnn[n-]2)cc1 ZINC000738360597 1424942548 /nfs/dbraw/zinc/94/25/48/1424942548.db2.gz RDVZYUQIXVFBCU-UHFFFAOYSA-N -1 1 344.762 2.718 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1COc1cc(-c2nnn[n-]2)ccc1C ZINC000821846647 1425407879 /nfs/dbraw/zinc/40/78/79/1425407879.db2.gz WUNARMBWEZOUOL-UHFFFAOYSA-N -1 1 341.327 2.671 20 5 EFBDMM O=[N+]([O-])c1ccc(CSc2cc(-c3nnn[n-]3)ccn2)c(F)c1 ZINC000823639976 1425695872 /nfs/dbraw/zinc/69/58/72/1425695872.db2.gz NYTAUHUZNVSBLG-UHFFFAOYSA-N -1 1 332.320 2.601 20 5 EFBDMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000736159763 1425725800 /nfs/dbraw/zinc/72/58/00/1425725800.db2.gz OJHDNOTTXJACDG-SNVBAGLBSA-N -1 1 339.311 2.693 20 5 EFBDMM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1[N+](=O)[O-] ZINC000820428764 1425929808 /nfs/dbraw/zinc/92/98/08/1425929808.db2.gz ZQNSMMXZWUVYAP-JTQLQIEISA-N -1 1 342.334 2.765 20 5 EFBDMM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cccc([N+](=O)[O-])c1 ZINC000825782296 1426089843 /nfs/dbraw/zinc/08/98/43/1426089843.db2.gz BIFACJFDKHSKFN-UHFFFAOYSA-N -1 1 335.327 2.812 20 5 EFBDMM COCC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccco1 ZINC000826155282 1426252554 /nfs/dbraw/zinc/25/25/54/1426252554.db2.gz LHYZLEURTQUPQU-LBPRGKRZSA-N -1 1 344.331 2.558 20 5 EFBDMM O=[N+]([O-])c1ccc(NC[C@@H]2CCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000738368876 1426270567 /nfs/dbraw/zinc/27/05/67/1426270567.db2.gz FDJGIEYKMYWREY-LBPRGKRZSA-N -1 1 336.355 2.917 20 5 EFBDMM CN(c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC000821619260 1426399457 /nfs/dbraw/zinc/39/94/57/1426399457.db2.gz PHQVAEMQGMAZMN-OAHLLOKOSA-N -1 1 336.355 2.899 20 5 EFBDMM COc1cc(COc2ccc(-c3nnn[n-]3)cc2F)ccc1[N+](=O)[O-] ZINC000826179834 1426786327 /nfs/dbraw/zinc/78/63/27/1426786327.db2.gz GXGFERZGUQGBAQ-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM COc1ccc(OCc2cccc(-c3nnn[n-]3)c2F)c([N+](=O)[O-])c1 ZINC000826211522 1426830033 /nfs/dbraw/zinc/83/00/33/1426830033.db2.gz IIIDNAXOGMZRJM-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM CCCCN(CC)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736455924 1426879456 /nfs/dbraw/zinc/87/94/56/1426879456.db2.gz FMIFMSZSCQBRRH-UHFFFAOYSA-N -1 1 341.375 2.950 20 5 EFBDMM CC1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCCCCC1 ZINC000824830050 1426961937 /nfs/dbraw/zinc/96/19/37/1426961937.db2.gz HFLIYSZFJKANQY-UHFFFAOYSA-N -1 1 331.380 2.942 20 5 EFBDMM Cc1cccc(Oc2ncc(-c3nnn[n-]3)cc2Cl)c1[N+](=O)[O-] ZINC000826300949 1427129235 /nfs/dbraw/zinc/12/92/35/1427129235.db2.gz MJCQEXTXCATJKE-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM Cc1ccc(Sc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c(C)c1 ZINC000822271331 1427352103 /nfs/dbraw/zinc/35/21/03/1427352103.db2.gz XMOZPDDBMRXODE-UHFFFAOYSA-N -1 1 328.357 2.938 20 5 EFBDMM COc1ccc(CNc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000737095811 1427596575 /nfs/dbraw/zinc/59/65/75/1427596575.db2.gz OFQAYWVLBHTFTL-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM Cc1c(COc2ccc(-c3nnn[n-]3)cc2F)cccc1[N+](=O)[O-] ZINC000822035488 1427630174 /nfs/dbraw/zinc/63/01/74/1427630174.db2.gz VRKFRTVRVZHYIB-UHFFFAOYSA-N -1 1 329.291 2.801 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1ccc2ncccc2c1 ZINC000823629991 1427638767 /nfs/dbraw/zinc/63/87/67/1427638767.db2.gz OWUYLCYGQKWVLG-UHFFFAOYSA-N -1 1 335.283 2.510 20 5 EFBDMM CCOc1cc(Oc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000825615951 1428171350 /nfs/dbraw/zinc/17/13/50/1428171350.db2.gz QJNPEBFXVAPJQV-UHFFFAOYSA-N -1 1 327.300 2.966 20 5 EFBDMM O=[N+]([O-])c1cccc(-c2noc(-c3ccc(-c4nn[n-]n4)s3)n2)c1 ZINC000823645977 1429925814 /nfs/dbraw/zinc/92/58/14/1429925814.db2.gz YTGXAYMMIQHVKZ-UHFFFAOYSA-N -1 1 341.312 2.553 20 5 EFBDMM Cc1cc(-c2nn[n-]n2)ccc1Oc1ncc(Cl)cc1[N+](=O)[O-] ZINC000822143759 1430087665 /nfs/dbraw/zinc/08/76/65/1430087665.db2.gz HLCNJHFNLUOSRI-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM C[C@@H](CCc1cccn1C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000820253192 1430093808 /nfs/dbraw/zinc/09/38/08/1430093808.db2.gz GRVOHUMPARYRRZ-NSHDSACASA-N -1 1 341.375 2.547 20 5 EFBDMM O=[N+]([O-])c1ccc(COc2cccc(F)c2-c2nnn[n-]2)c(F)c1 ZINC000826498036 1430236461 /nfs/dbraw/zinc/23/64/61/1430236461.db2.gz FBLYJBAAOOWIET-UHFFFAOYSA-N -1 1 333.254 2.632 20 5 EFBDMM CCOCCC1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCC1 ZINC000821373302 1430243577 /nfs/dbraw/zinc/24/35/77/1430243577.db2.gz FNPGNDMCNVRJOF-UHFFFAOYSA-N -1 1 346.391 2.784 20 5 EFBDMM CC(C)CCn1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000824249921 1441546539 /nfs/dbraw/zinc/54/65/39/1441546539.db2.gz XVNABQQNTTXKGD-UHFFFAOYSA-N -1 1 342.363 2.761 20 5 EFBDMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000824993053 1441611069 /nfs/dbraw/zinc/61/10/69/1441611069.db2.gz OXXNXLOETZZKOX-RAIGVLPGSA-N -1 1 328.376 2.790 20 5 EFBDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000826250054 1441800192 /nfs/dbraw/zinc/80/01/92/1441800192.db2.gz IOMUWHYGALSMKL-UHFFFAOYSA-N -1 1 338.327 2.644 20 5 EFBDMM O=[N+]([O-])c1ccc(Nc2ccn(-c3ccccc3)n2)c(-c2nn[n-]n2)c1 ZINC000738366695 1441822543 /nfs/dbraw/zinc/82/25/43/1441822543.db2.gz HSSDVSSMNVGFLP-UHFFFAOYSA-N -1 1 348.326 2.704 20 5 EFBDMM Cc1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ncc1[N+](=O)[O-] ZINC000822209729 1442033489 /nfs/dbraw/zinc/03/34/89/1442033489.db2.gz UKWUELPKMYCUJL-JTQLQIEISA-N -1 1 325.332 2.651 20 5 EFBDMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000820770169 1442057458 /nfs/dbraw/zinc/05/74/58/1442057458.db2.gz ZFSMVIMDFFPYLK-BDJLRTHQSA-N -1 1 336.355 2.972 20 5 EFBDMM Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2F)c1[N+](=O)[O-] ZINC000826300484 1442218790 /nfs/dbraw/zinc/21/87/90/1442218790.db2.gz WQMLQJFRXUHJSN-UHFFFAOYSA-N -1 1 329.291 2.801 20 5 EFBDMM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@@H]1CC12CCC2 ZINC000826450383 1442277423 /nfs/dbraw/zinc/27/74/23/1442277423.db2.gz JRCQCILAQCLIOU-QMMMGPOBSA-N -1 1 348.750 2.557 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000823630552 1443181130 /nfs/dbraw/zinc/18/11/30/1443181130.db2.gz ZZJGQZWVCHTMEF-VBQJREDUSA-N -1 1 348.366 2.773 20 5 EFBDMM O=[N+]([O-])c1ccc(-c2cnn(Cc3cccc(-c4nn[n-]n4)c3)c2)cc1 ZINC000738361286 1443184746 /nfs/dbraw/zinc/18/47/46/1443184746.db2.gz XHYIFKAQBOZFQV-UHFFFAOYSA-N -1 1 347.338 2.687 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc(F)c(Cl)c1 ZINC000823630092 1443207186 /nfs/dbraw/zinc/20/71/86/1443207186.db2.gz QXTURLSOVVXRMK-UHFFFAOYSA-N -1 1 336.670 2.755 20 5 EFBDMM CC(C)[C@@H]1CCC[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820038783 1443235321 /nfs/dbraw/zinc/23/53/21/1443235321.db2.gz RRZMJTWUDAOUON-MNOVXSKESA-N -1 1 331.380 2.797 20 5 EFBDMM O=[N+]([O-])c1ccc(NC[C@H]2CCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000738368873 1443403003 /nfs/dbraw/zinc/40/30/03/1443403003.db2.gz FDJGIEYKMYWREY-GFCCVEGCSA-N -1 1 336.355 2.917 20 5 EFBDMM COc1ccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(C)c1 ZINC000821821739 1443457329 /nfs/dbraw/zinc/45/73/29/1443457329.db2.gz ULPUBIDWFYTYOO-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000749950795 1443711005 /nfs/dbraw/zinc/71/10/05/1443711005.db2.gz WTBUBMOZCAJCRF-UHFFFAOYSA-N -1 1 344.718 2.681 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccncc2)c(-c2nnn[n-]2)c1 ZINC000826498630 1443717154 /nfs/dbraw/zinc/71/71/54/1443717154.db2.gz DBJLAYBNDIOBAC-AWEZNQCLSA-N -1 1 337.343 2.511 20 5 EFBDMM CC(C)CCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824243197 1443944322 /nfs/dbraw/zinc/94/43/22/1443944322.db2.gz FBCCNQPKGPDRIP-UHFFFAOYSA-N -1 1 338.755 2.803 20 5 EFBDMM O=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c(F)c1 ZINC000826484343 1446267946 /nfs/dbraw/zinc/26/79/46/1446267946.db2.gz ZDTYLMKZPJEFHA-UHFFFAOYSA-N -1 1 329.247 2.519 20 5 EFBDMM CC1(C)CCC(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000824803055 1446431885 /nfs/dbraw/zinc/43/18/85/1446431885.db2.gz SDLGMKODWCNVBU-UHFFFAOYSA-N -1 1 331.380 2.798 20 5 EFBDMM CCSCC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821454944 1446607770 /nfs/dbraw/zinc/60/77/70/1446607770.db2.gz HVJFEQJYYRXFPS-JTQLQIEISA-N -1 1 336.421 2.743 20 5 EFBDMM O=[N+]([O-])c1cc(F)cc(OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826497984 1446680550 /nfs/dbraw/zinc/68/05/50/1446680550.db2.gz BOMODYBARRQARY-UHFFFAOYSA-N -1 1 333.254 2.632 20 5 EFBDMM O=[N+]([O-])c1ccc(F)cc1COc1ccc(-c2nnn[n-]2)cc1F ZINC000823639559 1446712854 /nfs/dbraw/zinc/71/28/54/1446712854.db2.gz DQRHWQNHMWWCOA-UHFFFAOYSA-N -1 1 333.254 2.632 20 5 EFBDMM Cc1cccc(F)c1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822308737 1447135757 /nfs/dbraw/zinc/13/57/57/1447135757.db2.gz JEMCVFVNKJJKAH-UHFFFAOYSA-N -1 1 328.307 2.835 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCCC1CCCC1 ZINC000823625439 1447185621 /nfs/dbraw/zinc/18/56/21/1447185621.db2.gz VHNCIGVKYYLTNG-UHFFFAOYSA-N -1 1 331.380 2.942 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H]2CCc3c2cccc3O)c(-c2nnn[n-]2)c1 ZINC000823639630 1449147873 /nfs/dbraw/zinc/14/78/73/1449147873.db2.gz DYXPUPZSSRZGCU-CYBMUJFWSA-N -1 1 338.327 2.580 20 5 EFBDMM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000823319076 1449372992 /nfs/dbraw/zinc/37/29/92/1449372992.db2.gz QHCJAUXZGSCCBR-UHFFFAOYSA-N -1 1 344.718 2.681 20 5 EFBDMM C[C@@H]1CCC[C@@H](CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736252826 1449718918 /nfs/dbraw/zinc/71/89/18/1449718918.db2.gz RUJVUMZFFMDEDI-MNOVXSKESA-N -1 1 331.380 2.798 20 5 EFBDMM C[C@@H]1c2ccccc2CCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820827425 1449731150 /nfs/dbraw/zinc/73/11/50/1449731150.db2.gz TYNZKOWCNKQWJZ-LLVKDONJSA-N -1 1 336.355 2.899 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCc1cc2ccccc2[nH]1 ZINC000823629589 1449798411 /nfs/dbraw/zinc/79/84/11/1449798411.db2.gz ATIGRATVCHHBAC-UHFFFAOYSA-N -1 1 349.354 2.911 20 5 EFBDMM COc1ccc(COc2cc([N+](=O)[O-])ccc2C)cc1-c1nnn[n-]1 ZINC000826207125 1450148537 /nfs/dbraw/zinc/14/85/37/1450148537.db2.gz BDNQRAAXQUGEAC-UHFFFAOYSA-N -1 1 341.327 2.671 20 5 EFBDMM O=[N+]([O-])c1ccccc1CN(c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826500300 1450149325 /nfs/dbraw/zinc/14/93/25/1450149325.db2.gz SOLAOVZMJSPJLJ-UHFFFAOYSA-N -1 1 336.355 2.944 20 5 EFBDMM C[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736235562 1450169029 /nfs/dbraw/zinc/16/90/29/1450169029.db2.gz GHQNYWPKYHCGMY-NTZNESFSSA-N -1 1 328.376 2.932 20 5 EFBDMM CCO[C@H](CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)C ZINC000821352135 1450179970 /nfs/dbraw/zinc/17/99/70/1450179970.db2.gz XPZHLMHULPRZGR-CQSZACIVSA-N -1 1 334.380 2.638 20 5 EFBDMM C[C@H](NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000820428606 1450187336 /nfs/dbraw/zinc/18/73/36/1450187336.db2.gz YIIJFFCOXSUISB-JTQLQIEISA-N -1 1 342.334 2.765 20 5 EFBDMM Cc1cc([N+](=O)[O-])ccc1OCCOc1ccccc1-c1nnn[n-]1 ZINC000826272660 1450212796 /nfs/dbraw/zinc/21/27/96/1450212796.db2.gz VHHKSIQXLOQDQK-UHFFFAOYSA-N -1 1 341.327 2.541 20 5 EFBDMM C[C@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000820275021 1450292315 /nfs/dbraw/zinc/29/23/15/1450292315.db2.gz MOTYTEKHZHCSQV-SECBINFHSA-N -1 1 339.359 2.781 20 5 EFBDMM C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000820461506 1450326636 /nfs/dbraw/zinc/32/66/36/1450326636.db2.gz LCAJTEZHVVDWLU-ZETCQYMHSA-N -1 1 347.285 2.621 20 5 EFBDMM O=[N+]([O-])c1ccccc1CCNc1ccc(-c2nnn[n-]2)cc1F ZINC000823646977 1450335829 /nfs/dbraw/zinc/33/58/29/1450335829.db2.gz FEKJXZIHXFCUPG-UHFFFAOYSA-N -1 1 328.307 2.569 20 5 EFBDMM Cc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cnc1Cl ZINC000179624167 717810636 /nfs/dbraw/zinc/81/06/36/717810636.db2.gz QFFNHLRLQKGHFK-UHFFFAOYSA-N -1 1 345.739 2.892 20 5 EFBDMM CN(C)C(=O)Sc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000731441231 726865177 /nfs/dbraw/zinc/86/51/77/726865177.db2.gz RBHLGKGNBVRPJW-UHFFFAOYSA-N -1 1 334.357 2.949 20 5 EFBDMM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc([O-])c(Cl)c1 ZINC000732308797 727019291 /nfs/dbraw/zinc/01/92/91/727019291.db2.gz ASPXBBWTAZZFNB-UHFFFAOYSA-N -1 1 346.730 2.942 20 5 EFBDMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ccc([N+](=O)[O-])s1 ZINC000028677435 727601585 /nfs/dbraw/zinc/60/15/85/727601585.db2.gz IZEVTRKUSBCFPD-UHFFFAOYSA-N -1 1 347.304 2.825 20 5 EFBDMM Cc1ccc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000916602110 727700224 /nfs/dbraw/zinc/70/02/24/727700224.db2.gz XQQHQMVFTAVSBK-UHFFFAOYSA-N -1 1 330.365 2.952 20 5 EFBDMM Nc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1[N+](=O)[O-] ZINC000917113597 727770101 /nfs/dbraw/zinc/77/01/01/727770101.db2.gz FOLFZHWBMRMHRH-UHFFFAOYSA-N -1 1 339.311 2.525 20 5 EFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CC12CCCCC2 ZINC000180000752 729668912 /nfs/dbraw/zinc/66/89/12/729668912.db2.gz ZLJKTAOTHSSYSU-LBPRGKRZSA-N -1 1 328.365 2.735 20 5 EFBDMM CC[C@@]1(C(=O)[O-])CCCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC001589606257 949278517 /nfs/dbraw/zinc/27/85/17/949278517.db2.gz GXEKRSDXEKSZFB-MRXNPFEDSA-N -1 1 340.351 2.819 20 5 EFBDMM O=C([O-])CC[C@@H]1CCCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001595012944 951272525 /nfs/dbraw/zinc/27/25/25/951272525.db2.gz XUYQDTFOXSOAKX-NSHDSACASA-N -1 1 332.360 2.690 20 5 EFBDMM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC001589280295 953495138 /nfs/dbraw/zinc/49/51/38/953495138.db2.gz CIBBAIWLUQYALD-YPMHNXCESA-N -1 1 345.355 2.792 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1CN[C@H](C(=O)[O-])c1cccc(C)c1 ZINC001594112233 958523577 /nfs/dbraw/zinc/52/35/77/958523577.db2.gz DZGDGCVROXLIGP-INIZCTEOSA-N -1 1 330.340 2.827 20 5 EFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCN(Cc3ccccc3)CC2)c1 ZINC000305433206 963155511 /nfs/dbraw/zinc/15/55/11/963155511.db2.gz YSDSOXWMTNUALR-UHFFFAOYSA-N -1 1 341.367 2.615 20 5 EFBDMM O=C([O-])[C@@]1(C(F)(F)F)CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000901785092 980514942 /nfs/dbraw/zinc/51/49/42/980514942.db2.gz CIMDLCYCOPHVCZ-PKXJPQMGSA-N -1 1 344.289 2.947 20 5 EFBDMM Cc1c(CN2CCOc3ccccc3[C@@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000903929037 981049985 /nfs/dbraw/zinc/04/99/85/981049985.db2.gz VDOMGXWPYSQMAT-QGZVFWFLSA-N -1 1 342.351 2.924 20 5 EFBDMM CCc1[nH]c(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001597380204 987570494 /nfs/dbraw/zinc/57/04/94/987570494.db2.gz AIZCBJNMNPVKTC-UHFFFAOYSA-N -1 1 331.372 2.858 20 5 EFBDMM CC(C)(C)[C@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC001589732813 987968938 /nfs/dbraw/zinc/96/89/38/987968938.db2.gz YDTUTBSDZFKQEZ-OAHLLOKOSA-N -1 1 336.388 2.930 20 5 EFBDMM CC(C)(C)N1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001589825598 988294788 /nfs/dbraw/zinc/29/47/88/988294788.db2.gz XCQLTJVQZVNZBV-UHFFFAOYSA-N -1 1 341.795 2.867 20 5 EFBDMM CN(C)Cc1cc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])ccc1F ZINC001598247186 991015769 /nfs/dbraw/zinc/01/57/69/991015769.db2.gz PIFVOPJWYUOZPZ-UHFFFAOYSA-N -1 1 348.334 2.501 20 5 EFBDMM C[C@@H](NCC(=O)Nc1ccsc1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593237635 994414546 /nfs/dbraw/zinc/41/45/46/994414546.db2.gz RYAUOEKXMLHTCR-SECBINFHSA-N -1 1 349.368 2.644 20 5 EFBDMM C[C@@](NCc1ccc(O)c(F)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593299158 994721025 /nfs/dbraw/zinc/72/10/25/994721025.db2.gz QYWZALSAIZSJAY-INIZCTEOSA-N -1 1 334.303 2.529 20 5 EFBDMM COc1cc(CN2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC001599407567 997353099 /nfs/dbraw/zinc/35/30/99/997353099.db2.gz UOUZTSMJESHBRX-JGPRNRPPSA-N -1 1 340.351 2.816 20 5 EFBDMM COc1cc(CN[C@H](C(=O)[O-])c2ccc(F)c(C)c2)ccc1[N+](=O)[O-] ZINC001599414754 997485585 /nfs/dbraw/zinc/48/55/85/997485585.db2.gz RTXUWWRLDRJDMF-INIZCTEOSA-N -1 1 348.330 2.966 20 5 EFBDMM COc1cc(-c2nc3ccc(C(=O)[O-])cc3n2C)cc([N+](=O)[O-])c1O ZINC001599346657 998018376 /nfs/dbraw/zinc/01/83/76/998018376.db2.gz HAGMDHLIGKVYOK-UHFFFAOYSA-N -1 1 343.295 2.561 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc2occc2c1 ZINC001582801947 1091667341 /nfs/dbraw/zinc/66/73/41/1091667341.db2.gz HJQKCXSLPJAXKI-UHFFFAOYSA-N -1 1 337.299 2.528 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc2occc2c1 ZINC001582801947 1091667348 /nfs/dbraw/zinc/66/73/48/1091667348.db2.gz HJQKCXSLPJAXKI-UHFFFAOYSA-N -1 1 337.299 2.528 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1Oc1cnc(F)cc1Cl ZINC001582804758 1091670451 /nfs/dbraw/zinc/67/04/51/1091670451.db2.gz KVVFDVRROXDMKS-UHFFFAOYSA-N -1 1 342.699 2.816 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1Oc1cnc(F)cc1Cl ZINC001582804758 1091670454 /nfs/dbraw/zinc/67/04/54/1091670454.db2.gz KVVFDVRROXDMKS-UHFFFAOYSA-N -1 1 342.699 2.816 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NC[C@H]1OCc2ccccc21 ZINC001582804525 1091670568 /nfs/dbraw/zinc/67/05/68/1091670568.db2.gz FGFATHOXZQOVBI-LLVKDONJSA-N -1 1 344.356 2.520 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NC[C@H]1OCc2ccccc21 ZINC001582804525 1091670573 /nfs/dbraw/zinc/67/05/73/1091670573.db2.gz FGFATHOXZQOVBI-LLVKDONJSA-N -1 1 344.356 2.520 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCCC[C@H]1C1CCC1 ZINC001582804815 1091670659 /nfs/dbraw/zinc/67/06/59/1091670659.db2.gz NCSWAOAMGZEQJB-JTQLQIEISA-N -1 1 334.405 2.995 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCCC[C@H]1C1CCC1 ZINC001582804815 1091670663 /nfs/dbraw/zinc/67/06/63/1091670663.db2.gz NCSWAOAMGZEQJB-JTQLQIEISA-N -1 1 334.405 2.995 20 5 EFBDMM CC(C)(C)O[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001589197649 1093046374 /nfs/dbraw/zinc/04/63/74/1093046374.db2.gz IVMLEJLUSFCOJV-PHIMTYICSA-N -1 1 332.364 2.533 20 5 EFBDMM CC(C)(C)SCCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589209148 1093047973 /nfs/dbraw/zinc/04/79/73/1093047973.db2.gz UURJDYZKWABOQL-UHFFFAOYSA-N -1 1 328.423 2.780 20 5 EFBDMM CC(C)(C)SCCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589209148 1093047982 /nfs/dbraw/zinc/04/79/82/1093047982.db2.gz UURJDYZKWABOQL-UHFFFAOYSA-N -1 1 328.423 2.780 20 5 EFBDMM CC(C)(CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccncc1 ZINC001589293211 1093066879 /nfs/dbraw/zinc/06/68/79/1093066879.db2.gz RIIXHGGJEHJLLW-UHFFFAOYSA-N -1 1 339.359 2.560 20 5 EFBDMM CC(C)c1c[nH]c(Sc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001589765423 1093139722 /nfs/dbraw/zinc/13/97/22/1093139722.db2.gz SRJKBNNTXIESBI-UHFFFAOYSA-N -1 1 349.351 2.912 20 5 EFBDMM C[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)CC(F)(F)F ZINC001589877210 1093163320 /nfs/dbraw/zinc/16/33/20/1093163320.db2.gz RNAPUALMWSWCAB-SSDOTTSWSA-N -1 1 330.270 2.775 20 5 EFBDMM C[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)CC(F)(F)F ZINC001589877210 1093163326 /nfs/dbraw/zinc/16/33/26/1093163326.db2.gz RNAPUALMWSWCAB-SSDOTTSWSA-N -1 1 330.270 2.775 20 5 EFBDMM CC1(C)C[C@@H](CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C(C)(C)O1 ZINC001590080446 1093254145 /nfs/dbraw/zinc/25/41/45/1093254145.db2.gz MROHZVUKDVSOJN-JTQLQIEISA-N -1 1 346.391 2.781 20 5 EFBDMM CC1(C)C[C@@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCS1 ZINC001590083268 1093255589 /nfs/dbraw/zinc/25/55/89/1093255589.db2.gz CLIXYQHDJOKKTP-JTQLQIEISA-N -1 1 334.405 2.861 20 5 EFBDMM CC1(C)CCC[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001590093014 1093264938 /nfs/dbraw/zinc/26/49/38/1093264938.db2.gz FQVFGXUFTSNFAA-VIFPVBQESA-N -1 1 331.380 2.738 20 5 EFBDMM CC1(C)CCC[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001590093014 1093264943 /nfs/dbraw/zinc/26/49/43/1093264943.db2.gz FQVFGXUFTSNFAA-VIFPVBQESA-N -1 1 331.380 2.738 20 5 EFBDMM CC1(C)CCC[C@](O)(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001590095611 1093266276 /nfs/dbraw/zinc/26/62/76/1093266276.db2.gz BFBVAFCXFYUUEO-MRXNPFEDSA-N -1 1 346.391 2.518 20 5 EFBDMM C[C@@]1(CCNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@]1(F)Cl ZINC001590128629 1093279374 /nfs/dbraw/zinc/27/93/74/1093279374.db2.gz ZSMZJOYIFGBICU-CHWSQXEVSA-N -1 1 340.746 2.892 20 5 EFBDMM C[C@@]1(CCNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@]1(F)Cl ZINC001590128629 1093279385 /nfs/dbraw/zinc/27/93/85/1093279385.db2.gz ZSMZJOYIFGBICU-CHWSQXEVSA-N -1 1 340.746 2.892 20 5 EFBDMM C[C@]1(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1(Cl)Cl ZINC001590135520 1093283444 /nfs/dbraw/zinc/28/34/44/1093283444.db2.gz LEFDIVSKUFRKSV-LLVKDONJSA-N -1 1 343.174 2.771 20 5 EFBDMM C[C@]1(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1(Cl)Cl ZINC001590135520 1093283450 /nfs/dbraw/zinc/28/34/50/1093283450.db2.gz LEFDIVSKUFRKSV-LLVKDONJSA-N -1 1 343.174 2.771 20 5 EFBDMM CC1(c2ccccc2)CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001590152508 1093286614 /nfs/dbraw/zinc/28/66/14/1093286614.db2.gz AVSLCXXOODFVGS-UHFFFAOYSA-N -1 1 342.384 2.614 20 5 EFBDMM CC1(c2ccccc2)CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001590152508 1093286619 /nfs/dbraw/zinc/28/66/19/1093286619.db2.gz AVSLCXXOODFVGS-UHFFFAOYSA-N -1 1 342.384 2.614 20 5 EFBDMM C[C@@H]1CCC[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)[C@@H]1C ZINC001590252637 1093340080 /nfs/dbraw/zinc/34/00/80/1093340080.db2.gz LYMGULSWRWAEDX-KKFJDGPESA-N -1 1 331.380 2.594 20 5 EFBDMM C[C@@H]1CCC[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)[C@@H]1C ZINC001590252637 1093340086 /nfs/dbraw/zinc/34/00/86/1093340086.db2.gz LYMGULSWRWAEDX-KKFJDGPESA-N -1 1 331.380 2.594 20 5 EFBDMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC001590315582 1093372778 /nfs/dbraw/zinc/37/27/78/1093372778.db2.gz XMFKRDYOKMGHGI-BZNIZROVSA-N -1 1 336.355 2.972 20 5 EFBDMM C[C@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC001590315849 1093372794 /nfs/dbraw/zinc/37/27/94/1093372794.db2.gz XMFKRDYOKMGHGI-ZBEGNZNMSA-N -1 1 336.355 2.972 20 5 EFBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@@H](C)C1(F)F ZINC001590315975 1093373491 /nfs/dbraw/zinc/37/34/91/1093373491.db2.gz OMAOYQFQPCGLSO-RKDXNWHRSA-N -1 1 338.318 2.502 20 5 EFBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@@H](C)C1(F)F ZINC001590315975 1093373500 /nfs/dbraw/zinc/37/35/00/1093373500.db2.gz OMAOYQFQPCGLSO-RKDXNWHRSA-N -1 1 338.318 2.502 20 5 EFBDMM C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@H](C)C1(F)F ZINC001590315973 1093373867 /nfs/dbraw/zinc/37/38/67/1093373867.db2.gz OMAOYQFQPCGLSO-IUCAKERBSA-N -1 1 338.318 2.502 20 5 EFBDMM C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@H](C)C1(F)F ZINC001590315973 1093373874 /nfs/dbraw/zinc/37/38/74/1093373874.db2.gz OMAOYQFQPCGLSO-IUCAKERBSA-N -1 1 338.318 2.502 20 5 EFBDMM CCN(CCC(F)(F)F)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590692052 1093551227 /nfs/dbraw/zinc/55/12/27/1093551227.db2.gz FOJXAFIRTBHUHW-UHFFFAOYSA-N -1 1 330.270 2.554 20 5 EFBDMM CCO[C@H](CCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])C(C)C ZINC001590784737 1093568512 /nfs/dbraw/zinc/56/85/12/1093568512.db2.gz XFCFBMIQNJKBER-CYBMUJFWSA-N -1 1 334.380 2.638 20 5 EFBDMM CCO[C@H](CCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])C(C)C ZINC001590784737 1093568519 /nfs/dbraw/zinc/56/85/19/1093568519.db2.gz XFCFBMIQNJKBER-CYBMUJFWSA-N -1 1 334.380 2.638 20 5 EFBDMM CCOc1ccc(Sc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC001590839601 1093591615 /nfs/dbraw/zinc/59/16/15/1093591615.db2.gz DMSBFDXEOKHQQW-UHFFFAOYSA-N -1 1 344.356 2.720 20 5 EFBDMM CCOc1ccc(Oc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1 ZINC001590839480 1093591719 /nfs/dbraw/zinc/59/17/19/1093591719.db2.gz YCJBKXYECDVRBL-UHFFFAOYSA-N -1 1 327.300 2.966 20 5 EFBDMM CCOc1ccc(Oc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC001590839480 1093591725 /nfs/dbraw/zinc/59/17/25/1093591725.db2.gz YCJBKXYECDVRBL-UHFFFAOYSA-N -1 1 327.300 2.966 20 5 EFBDMM CCS[C@H]1CCC[C@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590850853 1093596611 /nfs/dbraw/zinc/59/66/11/1093596611.db2.gz PVTGEYYDDBOZNY-APPZFPTMSA-N -1 1 340.434 2.923 20 5 EFBDMM CCS[C@H]1CCC[C@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590850853 1093596618 /nfs/dbraw/zinc/59/66/18/1093596618.db2.gz PVTGEYYDDBOZNY-APPZFPTMSA-N -1 1 340.434 2.923 20 5 EFBDMM CCS[C@@H]1CCC[C@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590850217 1093597312 /nfs/dbraw/zinc/59/73/12/1093597312.db2.gz HVAQOTHSABFGJE-DGCLKSJQSA-N -1 1 334.405 2.861 20 5 EFBDMM CC[C@H](OC(=O)c1coc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC001590869083 1093607825 /nfs/dbraw/zinc/60/78/25/1093607825.db2.gz SHJXVAIEUKZOPQ-LBPRGKRZSA-N -1 1 343.299 2.676 20 5 EFBDMM CC[C@H](OC(=O)c1coc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC001590869083 1093607830 /nfs/dbraw/zinc/60/78/30/1093607830.db2.gz SHJXVAIEUKZOPQ-LBPRGKRZSA-N -1 1 343.299 2.676 20 5 EFBDMM COc1cc(C)ccc1CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591521106 1093749478 /nfs/dbraw/zinc/74/94/78/1093749478.db2.gz LELZZIMXLRXTBN-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM COc1cc(C)ccc1CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591521106 1093749481 /nfs/dbraw/zinc/74/94/81/1093749481.db2.gz LELZZIMXLRXTBN-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM COc1ccc(C)cc1CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591577295 1093775094 /nfs/dbraw/zinc/77/50/94/1093775094.db2.gz CEYXMKVYVUZZOE-UHFFFAOYSA-N -1 1 346.372 2.766 20 5 EFBDMM COc1ccc(C)cc1CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591577295 1093775102 /nfs/dbraw/zinc/77/51/02/1093775102.db2.gz CEYXMKVYVUZZOE-UHFFFAOYSA-N -1 1 346.372 2.766 20 5 EFBDMM COc1ccc(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(C)c1 ZINC001591602198 1093790284 /nfs/dbraw/zinc/79/02/84/1093790284.db2.gz ILVVVKNLGINYLT-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM COc1ccc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(C)c1 ZINC001591602198 1093790291 /nfs/dbraw/zinc/79/02/91/1093790291.db2.gz ILVVVKNLGINYLT-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM CS[C@H]1CCCCN(c2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001591689653 1093824733 /nfs/dbraw/zinc/82/47/33/1093824733.db2.gz GKAJSMOTIJNJOO-LBPRGKRZSA-N -1 1 348.432 2.805 20 5 EFBDMM CS[C@H]1CCCCN(c2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001591689653 1093824736 /nfs/dbraw/zinc/82/47/36/1093824736.db2.gz GKAJSMOTIJNJOO-LBPRGKRZSA-N -1 1 348.432 2.805 20 5 EFBDMM CSCC[C@@H](C)N(C)c1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591698047 1093831319 /nfs/dbraw/zinc/83/13/19/1093831319.db2.gz HLSSPLGAHWUEJD-SNVBAGLBSA-N -1 1 336.421 2.661 20 5 EFBDMM CSCC[C@@H](C)N(C)c1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591698047 1093831327 /nfs/dbraw/zinc/83/13/27/1093831327.db2.gz HLSSPLGAHWUEJD-SNVBAGLBSA-N -1 1 336.421 2.661 20 5 EFBDMM C[C@@H](Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cccc(O)c1 ZINC001591729703 1093844137 /nfs/dbraw/zinc/84/41/37/1093844137.db2.gz DTQSPCLJYYLTIM-SECBINFHSA-N -1 1 326.316 2.654 20 5 EFBDMM C[C@@H](Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1cccc(O)c1 ZINC001591729703 1093844141 /nfs/dbraw/zinc/84/41/41/1093844141.db2.gz DTQSPCLJYYLTIM-SECBINFHSA-N -1 1 326.316 2.654 20 5 EFBDMM Cc1cc(-c2nnn[n-]2)nc(Oc2cc([N+](=O)[O-])c(Cl)cc2C)n1 ZINC001591904101 1093911735 /nfs/dbraw/zinc/91/17/35/1093911735.db2.gz YMVHDKPATNIREQ-UHFFFAOYSA-N -1 1 347.722 2.627 20 5 EFBDMM Cc1cc(-c2nn[n-]n2)nc(Oc2cc([N+](=O)[O-])c(Cl)cc2C)n1 ZINC001591904101 1093911739 /nfs/dbraw/zinc/91/17/39/1093911739.db2.gz YMVHDKPATNIREQ-UHFFFAOYSA-N -1 1 347.722 2.627 20 5 EFBDMM Cc1cc(C)c(OC(=O)c2sccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591949414 1093928457 /nfs/dbraw/zinc/92/84/57/1093928457.db2.gz QJPYJCLBMPZNSG-UHFFFAOYSA-N -1 1 345.340 2.672 20 5 EFBDMM Cc1cc(F)ccc1CCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591991950 1093950221 /nfs/dbraw/zinc/95/02/21/1093950221.db2.gz GTMBPFTVUHGPQL-UHFFFAOYSA-N -1 1 342.334 2.877 20 5 EFBDMM Cc1cc(F)ccc1CCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591991950 1093950226 /nfs/dbraw/zinc/95/02/26/1093950226.db2.gz GTMBPFTVUHGPQL-UHFFFAOYSA-N -1 1 342.334 2.877 20 5 EFBDMM Cc1cc(N(C)CCc2cccs2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591996857 1093951739 /nfs/dbraw/zinc/95/17/39/1093951739.db2.gz MTCPARFMFKODGT-UHFFFAOYSA-N -1 1 344.400 2.824 20 5 EFBDMM Cc1cc(N(C)CCc2cccs2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591996857 1093951741 /nfs/dbraw/zinc/95/17/41/1093951741.db2.gz MTCPARFMFKODGT-UHFFFAOYSA-N -1 1 344.400 2.824 20 5 EFBDMM Cc1cc(N[C@H](C)CC(F)(F)F)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592033368 1093962731 /nfs/dbraw/zinc/96/27/31/1093962731.db2.gz GWHMRWPOIJENPK-SSDOTTSWSA-N -1 1 330.270 2.836 20 5 EFBDMM Cc1cc(N[C@H](C)CC(F)(F)F)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592033368 1093962734 /nfs/dbraw/zinc/96/27/34/1093962734.db2.gz GWHMRWPOIJENPK-SSDOTTSWSA-N -1 1 330.270 2.836 20 5 EFBDMM Cc1cc2c(cc1[N+](=O)[O-])N(Cc1ccc(-c3nn[n-]n3)s1)CC2 ZINC001592071357 1093974824 /nfs/dbraw/zinc/97/48/24/1093974824.db2.gz VHOZRJZJTVYBQB-UHFFFAOYSA-N -1 1 342.384 2.708 20 5 EFBDMM Cc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1Cl ZINC001592188860 1094022992 /nfs/dbraw/zinc/02/29/92/1094022992.db2.gz IKIGTOUWYQZULB-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM Cc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1Cl ZINC001592188860 1094022998 /nfs/dbraw/zinc/02/29/98/1094022998.db2.gz IKIGTOUWYQZULB-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM Cc1ccc2c(c1)[C@@H](Nc1ccc([N+](=O)[O-])c(-c3nnn[n-]3)c1)CO2 ZINC001592200170 1094027125 /nfs/dbraw/zinc/02/71/25/1094027125.db2.gz GRZXEYNBYRIKDV-ZDUSSCGKSA-N -1 1 338.327 2.629 20 5 EFBDMM Cc1ccc2c(c1)[C@@H](Nc1ccc([N+](=O)[O-])c(-c3nn[n-]n3)c1)CO2 ZINC001592200170 1094027130 /nfs/dbraw/zinc/02/71/30/1094027130.db2.gz GRZXEYNBYRIKDV-ZDUSSCGKSA-N -1 1 338.327 2.629 20 5 EFBDMM Cc1ccc2c(c1)N(c1cc(-c3nnn[n-]3)sc1[N+](=O)[O-])CC2 ZINC001592204692 1094029148 /nfs/dbraw/zinc/02/91/48/1094029148.db2.gz CUFANLMEYJKCOI-UHFFFAOYSA-N -1 1 328.357 2.839 20 5 EFBDMM Cc1ccc2c(c1)N(c1cc(-c3nn[n-]n3)sc1[N+](=O)[O-])CC2 ZINC001592204692 1094029151 /nfs/dbraw/zinc/02/91/51/1094029151.db2.gz CUFANLMEYJKCOI-UHFFFAOYSA-N -1 1 328.357 2.839 20 5 EFBDMM Cc1noc(C)c1[C@H](C)CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001592456075 1094107222 /nfs/dbraw/zinc/10/72/22/1094107222.db2.gz FZMRVPGZZVDGKS-MRVPVSSYSA-N -1 1 343.347 2.595 20 5 EFBDMM Cc1noc(C)c1[C@H](C)CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001592456075 1094107225 /nfs/dbraw/zinc/10/72/25/1094107225.db2.gz FZMRVPGZZVDGKS-MRVPVSSYSA-N -1 1 343.347 2.595 20 5 EFBDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC001592504184 1094116768 /nfs/dbraw/zinc/11/67/68/1094116768.db2.gz XUAOBWJUFUJIMI-UHFFFAOYSA-N -1 1 349.690 2.549 20 5 EFBDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC001592504184 1094116772 /nfs/dbraw/zinc/11/67/72/1094116772.db2.gz XUAOBWJUFUJIMI-UHFFFAOYSA-N -1 1 349.690 2.549 20 5 EFBDMM O=[N+]([O-])c1c(NCCc2cccc(F)c2)cccc1-c1nnn[n-]1 ZINC001593465044 1094308104 /nfs/dbraw/zinc/30/81/04/1094308104.db2.gz GYWIPXOELZQOQB-UHFFFAOYSA-N -1 1 328.307 2.569 20 5 EFBDMM O=[N+]([O-])c1c(NCCc2cccc(F)c2)cccc1-c1nn[n-]n1 ZINC001593465044 1094308112 /nfs/dbraw/zinc/30/81/12/1094308112.db2.gz GYWIPXOELZQOQB-UHFFFAOYSA-N -1 1 328.307 2.569 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1cnc2ccccc2c1 ZINC001593465689 1094308557 /nfs/dbraw/zinc/30/85/57/1094308557.db2.gz VSONBCWFSWKRAJ-UHFFFAOYSA-N -1 1 335.283 2.510 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1cnc2ccccc2c1 ZINC001593465689 1094308562 /nfs/dbraw/zinc/30/85/62/1094308562.db2.gz VSONBCWFSWKRAJ-UHFFFAOYSA-N -1 1 335.283 2.510 20 5 EFBDMM O=[N+]([O-])c1c(NCCc2ccc(F)c(F)c2)cccc1-c1nnn[n-]1 ZINC001593465218 1094308666 /nfs/dbraw/zinc/30/86/66/1094308666.db2.gz JZLSPMLKAJMXQG-UHFFFAOYSA-N -1 1 346.297 2.708 20 5 EFBDMM O=[N+]([O-])c1c(NCCc2ccc(F)c(F)c2)cccc1-c1nn[n-]n1 ZINC001593465218 1094308668 /nfs/dbraw/zinc/30/86/68/1094308668.db2.gz JZLSPMLKAJMXQG-UHFFFAOYSA-N -1 1 346.297 2.708 20 5 EFBDMM O=[N+]([O-])c1c(NCc2cccc3cc[nH]c32)cccc1-c1nnn[n-]1 ZINC001593469034 1094311027 /nfs/dbraw/zinc/31/10/27/1094311027.db2.gz KPWQCEGQARESHC-UHFFFAOYSA-N -1 1 335.327 2.868 20 5 EFBDMM O=[N+]([O-])c1c(NCc2cccc3cc[nH]c32)cccc1-c1nn[n-]n1 ZINC001593469034 1094311032 /nfs/dbraw/zinc/31/10/32/1094311032.db2.gz KPWQCEGQARESHC-UHFFFAOYSA-N -1 1 335.327 2.868 20 5 EFBDMM O=[N+]([O-])c1cc(N2CCCC[C@H]2C2CCC2)ccc1-c1nn[n-]n1 ZINC001593471559 1094314489 /nfs/dbraw/zinc/31/44/89/1094314489.db2.gz NEOWVCMWWBFTQM-AWEZNQCLSA-N -1 1 328.376 2.934 20 5 EFBDMM O=[N+]([O-])c1cc(N2CCS[C@@H]3CCCC[C@@H]32)ccc1-c1nn[n-]n1 ZINC001593470597 1094314657 /nfs/dbraw/zinc/31/46/57/1094314657.db2.gz GDYBVRLGHRNVOW-GXTWGEPZSA-N -1 1 346.416 2.639 20 5 EFBDMM O=[N+]([O-])c1c(NCc2ccc3ncccc3c2)cccc1-c1nnn[n-]1 ZINC001593469641 1094314716 /nfs/dbraw/zinc/31/47/16/1094314716.db2.gz ZJHKMFNREYGPSP-UHFFFAOYSA-N -1 1 347.338 2.935 20 5 EFBDMM O=[N+]([O-])c1c(NCc2ccc3ncccc3c2)cccc1-c1nn[n-]n1 ZINC001593469641 1094314726 /nfs/dbraw/zinc/31/47/26/1094314726.db2.gz ZJHKMFNREYGPSP-UHFFFAOYSA-N -1 1 347.338 2.935 20 5 EFBDMM O=[N+]([O-])c1cc(NCc2ccc3ccccc3n2)ccc1-c1nn[n-]n1 ZINC001593473436 1094317202 /nfs/dbraw/zinc/31/72/02/1094317202.db2.gz CJAHPHZAMMBOGQ-UHFFFAOYSA-N -1 1 347.338 2.935 20 5 EFBDMM O=[N+]([O-])c1cc(N[C@H](CO)CC2CCCCC2)ccc1-c1nn[n-]n1 ZINC001593473494 1094317423 /nfs/dbraw/zinc/31/74/23/1094317423.db2.gz FOQRDVWDYIQKRV-ZDUSSCGKSA-N -1 1 346.391 2.518 20 5 EFBDMM O=[N+]([O-])c1cc(NCC(F)(F)c2ccccc2)ccc1-c1nn[n-]n1 ZINC001593473705 1094318924 /nfs/dbraw/zinc/31/89/24/1094318924.db2.gz JTNQQXMUCCNDRX-UHFFFAOYSA-N -1 1 346.297 2.979 20 5 EFBDMM O=[N+]([O-])c1ccc(NCc2ccc(F)cc2F)cc1-c1nnn[n-]1 ZINC001593478958 1094323642 /nfs/dbraw/zinc/32/36/42/1094323642.db2.gz SDFMHRVHPNIQCX-UHFFFAOYSA-N -1 1 332.270 2.665 20 5 EFBDMM O=[N+]([O-])c1ccc(NCc2ccc(F)cc2F)cc1-c1nn[n-]n1 ZINC001593478958 1094323650 /nfs/dbraw/zinc/32/36/50/1094323650.db2.gz SDFMHRVHPNIQCX-UHFFFAOYSA-N -1 1 332.270 2.665 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1Sc1ccc2c(c1)CCO2 ZINC001593488566 1094328526 /nfs/dbraw/zinc/32/85/26/1094328526.db2.gz NMTIMCOOBQHVMU-UHFFFAOYSA-N -1 1 347.381 2.923 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1Sc1ccc2c(c1)CCO2 ZINC001593488566 1094328538 /nfs/dbraw/zinc/32/85/38/1094328538.db2.gz NMTIMCOOBQHVMU-UHFFFAOYSA-N -1 1 347.381 2.923 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC(c2ccc(F)cc2)C1 ZINC001593487194 1094328737 /nfs/dbraw/zinc/32/87/37/1094328737.db2.gz DZSPMWKDLNUKTF-UHFFFAOYSA-N -1 1 346.347 2.579 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC(c2ccc(F)cc2)C1 ZINC001593487194 1094328746 /nfs/dbraw/zinc/32/87/46/1094328746.db2.gz DZSPMWKDLNUKTF-UHFFFAOYSA-N -1 1 346.347 2.579 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1Oc1cccc2c1OCC2 ZINC001593488226 1094329333 /nfs/dbraw/zinc/32/93/33/1094329333.db2.gz GXFLLPHTVYCXAG-UHFFFAOYSA-N -1 1 331.313 2.564 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1Oc1cccc2c1OCC2 ZINC001593488226 1094329341 /nfs/dbraw/zinc/32/93/41/1094329341.db2.gz GXFLLPHTVYCXAG-UHFFFAOYSA-N -1 1 331.313 2.564 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCc1cc(F)ccc1F ZINC001593489018 1094330468 /nfs/dbraw/zinc/33/04/68/1094330468.db2.gz SDIAEIDYAGWASN-UHFFFAOYSA-N -1 1 338.299 2.727 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCc1cc(F)ccc1F ZINC001593489018 1094330480 /nfs/dbraw/zinc/33/04/80/1094330480.db2.gz SDIAEIDYAGWASN-UHFFFAOYSA-N -1 1 338.299 2.727 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@H]1C[C@]1(F)c1ccccc1 ZINC001593489243 1094331688 /nfs/dbraw/zinc/33/16/88/1094331688.db2.gz XPGAKBYDDDHGNU-FZMZJTMJSA-N -1 1 346.347 2.886 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@H]1C[C@]1(F)c1ccccc1 ZINC001593489243 1094331697 /nfs/dbraw/zinc/33/16/97/1094331697.db2.gz XPGAKBYDDDHGNU-FZMZJTMJSA-N -1 1 346.347 2.886 20 5 EFBDMM O=C([O-])c1cnc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC001602522798 1096281808 /nfs/dbraw/zinc/28/18/08/1096281808.db2.gz CNWAPOVHLTVQGK-UHFFFAOYSA-N -1 1 341.776 2.735 20 5 EFBDMM CC(C)(C)[C@@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001603062752 1096428165 /nfs/dbraw/zinc/42/81/65/1096428165.db2.gz QXKACOBOGHVCHK-GWCFXTLKSA-N -1 1 346.391 2.781 20 5 EFBDMM CC(C)(C)[C@@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001603062752 1096428167 /nfs/dbraw/zinc/42/81/67/1096428167.db2.gz QXKACOBOGHVCHK-GWCFXTLKSA-N -1 1 346.391 2.781 20 5 EFBDMM CC(C)(C)[C@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001603062753 1096428792 /nfs/dbraw/zinc/42/87/92/1096428792.db2.gz QXKACOBOGHVCHK-GXFFZTMASA-N -1 1 346.391 2.781 20 5 EFBDMM CC(C)(C)[C@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001603062753 1096428795 /nfs/dbraw/zinc/42/87/95/1096428795.db2.gz QXKACOBOGHVCHK-GXFFZTMASA-N -1 1 346.391 2.781 20 5 EFBDMM C[C@H](COc1ccccc1)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603572238 1096556204 /nfs/dbraw/zinc/55/62/04/1096556204.db2.gz XGWIVEUKWGGHES-LLVKDONJSA-N -1 1 340.343 2.654 20 5 EFBDMM CC(C)CCO[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001603795973 1096630350 /nfs/dbraw/zinc/63/03/50/1096630350.db2.gz WUVFODIUOZZTEF-OAHLLOKOSA-N -1 1 336.388 2.930 20 5 EFBDMM C[C@@H]1CC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC001603879085 1096654243 /nfs/dbraw/zinc/65/42/43/1096654243.db2.gz BEQGHTJICZQISW-VYUIOLGVSA-N -1 1 331.380 2.594 20 5 EFBDMM C[C@@H]1CC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC001603879085 1096654247 /nfs/dbraw/zinc/65/42/47/1096654247.db2.gz BEQGHTJICZQISW-VYUIOLGVSA-N -1 1 331.380 2.594 20 5 EFBDMM C[C@H]1Oc2ccccc2[C@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001603957981 1096682573 /nfs/dbraw/zinc/68/25/73/1096682573.db2.gz ZJUZBZDPVVWPLT-KRTXAFLBSA-N -1 1 344.356 2.771 20 5 EFBDMM C[C@H]1Oc2ccccc2[C@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001603957981 1096682577 /nfs/dbraw/zinc/68/25/77/1096682577.db2.gz ZJUZBZDPVVWPLT-KRTXAFLBSA-N -1 1 344.356 2.771 20 5 EFBDMM C[C@@H]1c2ccsc2CCN1c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001603958389 1096682861 /nfs/dbraw/zinc/68/28/61/1096682861.db2.gz HSRIVZDTCLCPGW-SECBINFHSA-N -1 1 342.384 2.960 20 5 EFBDMM C[C@@H]1c2ccsc2CCN1c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001603958389 1096682867 /nfs/dbraw/zinc/68/28/67/1096682867.db2.gz HSRIVZDTCLCPGW-SECBINFHSA-N -1 1 342.384 2.960 20 5 EFBDMM CCC(CC)Cn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001604025160 1096702654 /nfs/dbraw/zinc/70/26/54/1096702654.db2.gz AGZQCOKQZWWXQV-UHFFFAOYSA-N -1 1 342.359 2.526 20 5 EFBDMM CCC1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCCCC1 ZINC001604086511 1096727017 /nfs/dbraw/zinc/72/70/17/1096727017.db2.gz MMTIDVQRIJBLGW-UHFFFAOYSA-N -1 1 331.380 2.942 20 5 EFBDMM CCC1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCCCC1 ZINC001604086511 1096727023 /nfs/dbraw/zinc/72/70/23/1096727023.db2.gz MMTIDVQRIJBLGW-UHFFFAOYSA-N -1 1 331.380 2.942 20 5 EFBDMM CCSCC[C@@H](C)N(C)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001604481646 1096874651 /nfs/dbraw/zinc/87/46/51/1096874651.db2.gz LZBHFHVDYQLZHZ-MRVPVSSYSA-N -1 1 342.450 2.804 20 5 EFBDMM CCSCC[C@@H](C)N(C)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001604481646 1096874661 /nfs/dbraw/zinc/87/46/61/1096874661.db2.gz LZBHFHVDYQLZHZ-MRVPVSSYSA-N -1 1 342.450 2.804 20 5 EFBDMM CCc1nc([C@H](C)Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cs1 ZINC001604552167 1096901804 /nfs/dbraw/zinc/90/18/04/1096901804.db2.gz IGJZXJQSTONYBP-QMMMGPOBSA-N -1 1 345.388 2.967 20 5 EFBDMM COc1ccc(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(OC)c1 ZINC001605301094 1097088057 /nfs/dbraw/zinc/08/80/57/1097088057.db2.gz IRBFFDLCZZUEPR-UHFFFAOYSA-N -1 1 342.315 2.536 20 5 EFBDMM COc1ccc(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(OC)c1 ZINC001605301094 1097088062 /nfs/dbraw/zinc/08/80/62/1097088062.db2.gz IRBFFDLCZZUEPR-UHFFFAOYSA-N -1 1 342.315 2.536 20 5 EFBDMM C[C@]12CN(c3cccc(-c4nnn[n-]4)c3[N+](=O)[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001605450601 1097128183 /nfs/dbraw/zinc/12/81/83/1097128183.db2.gz FOAZUODJEKIRCA-IANATYFASA-N -1 1 340.387 2.647 20 5 EFBDMM C[C@]12CN(c3cccc(-c4nn[n-]n4)c3[N+](=O)[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001605450601 1097128185 /nfs/dbraw/zinc/12/81/85/1097128185.db2.gz FOAZUODJEKIRCA-IANATYFASA-N -1 1 340.387 2.647 20 5 EFBDMM Cc1cc(N[C@H](C)Cc2ccco2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605717104 1097205437 /nfs/dbraw/zinc/20/54/37/1097205437.db2.gz AICAONQZIYNJHT-SNVBAGLBSA-N -1 1 328.332 2.719 20 5 EFBDMM Cc1cc(N[C@H](C)Cc2ccco2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605717104 1097205444 /nfs/dbraw/zinc/20/54/44/1097205444.db2.gz AICAONQZIYNJHT-SNVBAGLBSA-N -1 1 328.332 2.719 20 5 EFBDMM Cc1cc(NCCOC2CCCCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605735704 1097210282 /nfs/dbraw/zinc/21/02/82/1097210282.db2.gz GBDKQIWPTXZPBY-UHFFFAOYSA-N -1 1 346.391 2.845 20 5 EFBDMM Cc1cc(NCCOC2CCCCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605735704 1097210287 /nfs/dbraw/zinc/21/02/87/1097210287.db2.gz GBDKQIWPTXZPBY-UHFFFAOYSA-N -1 1 346.391 2.845 20 5 EFBDMM Cc1cccc2c1CN(c1ccc([N+](=O)[O-])c(-c3nnn[n-]3)c1)CC2 ZINC001605929169 1097277669 /nfs/dbraw/zinc/27/76/69/1097277669.db2.gz BTBFGGFGJOTMNN-UHFFFAOYSA-N -1 1 336.355 2.646 20 5 EFBDMM Cc1cccc2c1CN(c1ccc([N+](=O)[O-])c(-c3nn[n-]n3)c1)CC2 ZINC001605929169 1097277671 /nfs/dbraw/zinc/27/76/71/1097277671.db2.gz BTBFGGFGJOTMNN-UHFFFAOYSA-N -1 1 336.355 2.646 20 5 EFBDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC001606169663 1097335835 /nfs/dbraw/zinc/33/58/35/1097335835.db2.gz QXBBAFAKQYTVPI-UHFFFAOYSA-N -1 1 348.706 2.582 20 5 EFBDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC001606169663 1097335840 /nfs/dbraw/zinc/33/58/40/1097335840.db2.gz QXBBAFAKQYTVPI-UHFFFAOYSA-N -1 1 348.706 2.582 20 5 EFBDMM O=[N+]([O-])c1cc(NCCC[C@H]2CCCC[C@@H]2O)ccc1-c1nn[n-]n1 ZINC001607078860 1097506353 /nfs/dbraw/zinc/50/63/53/1097506353.db2.gz ATPAMXIVMXBNPU-ABAIWWIYSA-N -1 1 346.391 2.518 20 5 EFBDMM O=[N+]([O-])c1cc(NC[C@H]2CCOC3(CCC3)C2)ccc1-c1nn[n-]n1 ZINC001607078946 1097506638 /nfs/dbraw/zinc/50/66/38/1097506638.db2.gz CHJCGCFHVAWYHH-NSHDSACASA-N -1 1 344.375 2.536 20 5 EFBDMM O=[N+]([O-])c1c(NCC2Cc3ccccc3C2)cccc1-c1nnn[n-]1 ZINC001607078111 1097506938 /nfs/dbraw/zinc/50/69/38/1097506938.db2.gz KLHXFADDEOTGMR-UHFFFAOYSA-N -1 1 336.355 2.602 20 5 EFBDMM O=[N+]([O-])c1c(NCC2Cc3ccccc3C2)cccc1-c1nn[n-]n1 ZINC001607078111 1097506940 /nfs/dbraw/zinc/50/69/40/1097506940.db2.gz KLHXFADDEOTGMR-UHFFFAOYSA-N -1 1 336.355 2.602 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1SCc1ccncc1 ZINC001607078102 1097506989 /nfs/dbraw/zinc/50/69/89/1097506989.db2.gz ZVNRJMXRIGZQJA-UHFFFAOYSA-N -1 1 332.320 2.601 20 5 EFBDMM O=[N+]([O-])c1ccc(CSc2cccnc2-c2nnn[n-]2)cc1F ZINC001607081375 1097507745 /nfs/dbraw/zinc/50/77/45/1097507745.db2.gz IXSCYZYJHLCSGT-UHFFFAOYSA-N -1 1 332.320 2.601 20 5 EFBDMM O=[N+]([O-])c1ccc(CSc2cccnc2-c2nn[n-]n2)cc1F ZINC001607081375 1097507748 /nfs/dbraw/zinc/50/77/48/1097507748.db2.gz IXSCYZYJHLCSGT-UHFFFAOYSA-N -1 1 332.320 2.601 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCc2cc(F)cc(F)c2)cc1-c1nnn[n-]1 ZINC001607081672 1097508546 /nfs/dbraw/zinc/50/85/46/1097508546.db2.gz HUKSSNXDFBOCFO-UHFFFAOYSA-N -1 1 346.297 2.708 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCc2cc(F)cc(F)c2)cc1-c1nn[n-]n1 ZINC001607081672 1097508550 /nfs/dbraw/zinc/50/85/50/1097508550.db2.gz HUKSSNXDFBOCFO-UHFFFAOYSA-N -1 1 346.297 2.708 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCC[C@H]1c1ccccn1 ZINC001607086182 1097509507 /nfs/dbraw/zinc/50/95/07/1097509507.db2.gz VGPFUILLAMQWAO-JTQLQIEISA-N -1 1 343.372 2.573 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCC[C@H]1c1ccccn1 ZINC001607086182 1097509513 /nfs/dbraw/zinc/50/95/13/1097509513.db2.gz VGPFUILLAMQWAO-JTQLQIEISA-N -1 1 343.372 2.573 20 5 EFBDMM COc1ccc([C@@H](NCc2cccc([N+](=O)[O-])c2)C(=O)[O-])c(OC)c1 ZINC001607235724 1097569637 /nfs/dbraw/zinc/56/96/37/1097569637.db2.gz YBRNBNXQEDRLDT-MRXNPFEDSA-N -1 1 346.339 2.528 20 5 EFBDMM O=C([O-])CC1(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCCC1 ZINC001608688545 1097990487 /nfs/dbraw/zinc/99/04/87/1097990487.db2.gz PQTYEEXRHFEMSM-UHFFFAOYSA-N -1 1 346.343 2.522 20 5 EFBDMM O=C([O-])CC[N@@H+](Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001608722452 1098000926 /nfs/dbraw/zinc/00/09/26/1098000926.db2.gz GNGRECJQFFPIOC-UHFFFAOYSA-N -1 1 330.340 2.777 20 5 EFBDMM C[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccc(Br)nc1 ZINC001225666026 1098008799 /nfs/dbraw/zinc/00/87/99/1098008799.db2.gz FMVPHNPYYOSESK-ZETCQYMHSA-N -1 1 340.133 2.993 20 5 EFBDMM C[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccc(Br)nc1 ZINC001225666022 1098009201 /nfs/dbraw/zinc/00/92/01/1098009201.db2.gz FMVPHNPYYOSESK-SSDOTTSWSA-N -1 1 340.133 2.993 20 5 EFBDMM C[C@@](O)(CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001609127731 1098160335 /nfs/dbraw/zinc/16/03/35/1098160335.db2.gz UIVPUVDSOMKKSQ-MRXNPFEDSA-N -1 1 346.391 2.518 20 5 EFBDMM C[C@@](O)(CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC001609127731 1098160340 /nfs/dbraw/zinc/16/03/40/1098160340.db2.gz UIVPUVDSOMKKSQ-MRXNPFEDSA-N -1 1 346.391 2.518 20 5 EFBDMM C[C@@]1(c2ccccc2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609151550 1098171592 /nfs/dbraw/zinc/17/15/92/1098171592.db2.gz LOUWZVJSBWITJG-RDJZCZTQSA-N -1 1 336.355 2.917 20 5 EFBDMM COc1ccc(C)cc1CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609353295 1098262011 /nfs/dbraw/zinc/26/20/11/1098262011.db2.gz QCPQLSQXPPWFLS-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM Cc1csc([C@@H](C)Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)n1 ZINC001609442353 1098326611 /nfs/dbraw/zinc/32/66/11/1098326611.db2.gz FXFGYNZNCZACLF-MRVPVSSYSA-N -1 1 331.361 2.713 20 5 EFBDMM Cc1csc([C@@H](C)Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)n1 ZINC001609442353 1098326619 /nfs/dbraw/zinc/32/66/19/1098326619.db2.gz FXFGYNZNCZACLF-MRVPVSSYSA-N -1 1 331.361 2.713 20 5 EFBDMM O=[N+]([O-])c1ccc(NC[C@@H]2CCOC3(CCC3)C2)cc1-c1nnn[n-]1 ZINC001609602243 1098395613 /nfs/dbraw/zinc/39/56/13/1098395613.db2.gz SWSAQZBYTVUFDL-LLVKDONJSA-N -1 1 344.375 2.536 20 5 EFBDMM O=[N+]([O-])c1ccc(NC[C@@H]2CCOC3(CCC3)C2)cc1-c1nn[n-]n1 ZINC001609602243 1098395619 /nfs/dbraw/zinc/39/56/19/1098395619.db2.gz SWSAQZBYTVUFDL-LLVKDONJSA-N -1 1 344.375 2.536 20 5 EFBDMM O=C([O-])[C@]1(c2ccccc2)CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001610730458 1098857322 /nfs/dbraw/zinc/85/73/22/1098857322.db2.gz WBRGXLIODQOLIE-GOSISDBHSA-N -1 1 342.351 2.529 20 5 EFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC001610840053 1098926564 /nfs/dbraw/zinc/92/65/64/1098926564.db2.gz IVVRVESDCGCMMR-NVXWUHKLSA-N -1 1 342.351 2.601 20 5 EFBDMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001664302479 1104345286 /nfs/dbraw/zinc/34/52/86/1104345286.db2.gz YGNIYLKISWJYJP-HGIWHZBTSA-N -1 1 348.783 2.710 20 5 EFBDMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001666226065 1104906025 /nfs/dbraw/zinc/90/60/25/1104906025.db2.gz UKDNCKWDNCMKIK-CZULRBLNSA-N -1 1 330.793 2.571 20 5 EFBDMM CC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000186785029 529676441 /nfs/dbraw/zinc/67/64/41/529676441.db2.gz DKNVOORJHFOZOI-CYBMUJFWSA-N -1 1 331.328 2.585 20 5 EFBDMM Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193458400 240108183 /nfs/dbraw/zinc/10/81/83/240108183.db2.gz AGXUCUOAMMAZOC-GFCCVEGCSA-N -1 1 345.355 2.510 20 5 EFBDMM CCCOC1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCCCC1 ZINC000193673225 240119819 /nfs/dbraw/zinc/11/98/19/240119819.db2.gz IVEHUBJLYYWEBN-UHFFFAOYSA-N -1 1 337.376 2.555 20 5 EFBDMM CC(C)Oc1ccc([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000193403591 240150786 /nfs/dbraw/zinc/15/07/86/240150786.db2.gz FEWVDISTFADGMU-LLVKDONJSA-N -1 1 345.355 2.974 20 5 EFBDMM CC(C)c1ccccc1OCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193575982 240219066 /nfs/dbraw/zinc/21/90/66/240219066.db2.gz KAFQMJWZVKWDGI-UHFFFAOYSA-N -1 1 345.355 2.628 20 5 EFBDMM O=C(NCc1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000353795329 284007765 /nfs/dbraw/zinc/00/77/65/284007765.db2.gz CWPRFKXPXYAQDV-UHFFFAOYSA-N -1 1 341.245 2.644 20 5 EFBDMM O=C(N[C@@H]1CCOc2c(Cl)cccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187008688 284077744 /nfs/dbraw/zinc/07/77/44/284077744.db2.gz VLHNGDQYRJWABU-LLVKDONJSA-N -1 1 349.730 2.602 20 5 EFBDMM O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445014612 250375227 /nfs/dbraw/zinc/37/52/27/250375227.db2.gz XHKIZPRCUAGXHK-WCBMZHEXSA-N -1 1 347.293 2.794 20 5 EFBDMM Cc1ccc(C)n1C1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000445170076 250392626 /nfs/dbraw/zinc/39/26/26/250392626.db2.gz BCQLGYXXJQMTPA-UHFFFAOYSA-N -1 1 344.371 2.591 20 5 EFBDMM Cc1ccc(NC(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(C)c1 ZINC000095426904 218369593 /nfs/dbraw/zinc/36/95/93/218369593.db2.gz SRHXOVQFKFLANT-UHFFFAOYSA-N -1 1 344.323 2.713 20 5 EFBDMM O=c1[n-]nc([C@@H]2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)o1 ZINC000375042062 285079917 /nfs/dbraw/zinc/07/99/17/285079917.db2.gz KGGSAEDTBCGCNO-SNVBAGLBSA-N -1 1 341.327 2.616 20 5 EFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1[N+](=O)[O-] ZINC000005120869 210393546 /nfs/dbraw/zinc/39/35/46/210393546.db2.gz IPSPUJQEHVHHOX-UHFFFAOYSA-N -1 1 348.380 2.893 20 5 EFBDMM C/C(=C/c1ccccc1)CN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000427585698 533388818 /nfs/dbraw/zinc/38/88/18/533388818.db2.gz AUXUWNJJNGRGSN-WQLSENKSSA-N -1 1 327.340 2.871 20 5 EFBDMM Nc1c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cccc1[N+](=O)[O-] ZINC000344970576 142105227 /nfs/dbraw/zinc/10/52/27/142105227.db2.gz BMGQEXXMOXBECE-UHFFFAOYSA-N -1 1 339.311 2.525 20 5 EFBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCN(CCc2ccccc2)CC1 ZINC000349728036 142352265 /nfs/dbraw/zinc/35/22/65/142352265.db2.gz BTPUZGPAECPDHT-UHFFFAOYSA-N -1 1 341.411 2.661 20 5 EFBDMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)COC3)cccc1[N+](=O)[O-] ZINC000342465307 145131870 /nfs/dbraw/zinc/13/18/70/145131870.db2.gz UFCKLHGJZSZJBU-UHFFFAOYSA-N -1 1 334.353 2.734 20 5 EFBDMM Cc1ccc(-n2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cn2)c(C)c1 ZINC000342559380 145148691 /nfs/dbraw/zinc/14/86/91/145148691.db2.gz CPOMEJOJRIWUMK-UHFFFAOYSA-N -1 1 325.328 2.978 20 5 EFBDMM Cc1ccc(-c2[n-][nH]c(=NC(=O)c3cc(O)cc([N+](=O)[O-])c3)c2C)o1 ZINC000356804212 147340058 /nfs/dbraw/zinc/34/00/58/147340058.db2.gz NRPSJBKOVFESFE-UHFFFAOYSA-N -1 1 342.311 2.575 20 5 EFBDMM COc1c(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)cccc1[N+](=O)[O-] ZINC000359326571 148057231 /nfs/dbraw/zinc/05/72/31/148057231.db2.gz YOCJNOMWJWXMEN-UHFFFAOYSA-N -1 1 344.352 2.729 20 5 EFBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cc2c(cn1)CCCC2 ZINC000359470775 148094788 /nfs/dbraw/zinc/09/47/88/148094788.db2.gz WINHMEVVTSNHMR-UHFFFAOYSA-N -1 1 347.396 2.811 20 5 EFBDMM C[S@@](=O)Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1Cl ZINC000360030598 148254737 /nfs/dbraw/zinc/25/47/37/148254737.db2.gz HHIPOTQOODJQAG-JOCHJYFZSA-N -1 1 341.776 2.707 20 5 EFBDMM O=C(N[C@@H]1CCSc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000015610890 272961594 /nfs/dbraw/zinc/96/15/94/272961594.db2.gz KKNSEMSEJPIOEW-GFCCVEGCSA-N -1 1 331.353 2.662 20 5 EFBDMM COc1c(F)cc(S(=O)(=O)[N-]c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000187160927 265089562 /nfs/dbraw/zinc/08/95/62/265089562.db2.gz CXKHTDMGBJUQTJ-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM CSc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000194921976 265396135 /nfs/dbraw/zinc/39/61/35/265396135.db2.gz METCQGDSTGOMFZ-UHFFFAOYSA-N -1 1 347.278 2.706 20 5 EFBDMM COC[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000272272532 266211829 /nfs/dbraw/zinc/21/18/29/266211829.db2.gz WSKMBYWZFQVIDD-LBPRGKRZSA-N -1 1 340.282 2.784 20 5 EFBDMM CCc1cccc2c1OCC[C@H]2NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277774121 267259634 /nfs/dbraw/zinc/25/96/34/267259634.db2.gz SPAXCONRRAAGLT-CYBMUJFWSA-N -1 1 343.339 2.511 20 5 EFBDMM COC(=O)c1cccc2nc(NC(=O)c3ccccc3[N+](=O)[O-])[nH]c21 ZINC000157772936 273021511 /nfs/dbraw/zinc/02/15/11/273021511.db2.gz PBTXUWQHWGBZAC-UHFFFAOYSA-N -1 1 340.295 2.510 20 5 EFBDMM CCSCCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000282504873 273572266 /nfs/dbraw/zinc/57/22/66/273572266.db2.gz ZETMPGVHCFNGKO-UHFFFAOYSA-N -1 1 338.838 2.670 20 5 EFBDMM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000115721064 278500327 /nfs/dbraw/zinc/50/03/27/278500327.db2.gz JQHNGCICDXADSI-AAEUAGOBSA-N -1 1 327.340 2.714 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1Cc2ccccc2C2(CCC2)C1 ZINC000375985128 280227939 /nfs/dbraw/zinc/22/79/39/280227939.db2.gz NKJPOOHMNIEHBQ-UHFFFAOYSA-N -1 1 339.351 2.773 20 5 EFBDMM Cc1cc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000290601965 294132517 /nfs/dbraw/zinc/13/25/17/294132517.db2.gz DVCYEXIMEHGZDC-NSHDSACASA-N -1 1 345.321 2.798 20 5 EFBDMM Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290765065 294178226 /nfs/dbraw/zinc/17/82/26/294178226.db2.gz UTTPLLXBOOCJEP-NSHDSACASA-N -1 1 345.321 2.798 20 5 EFBDMM Cn1c2ccc([N+](=O)[O-])cc2nc1-c1[nH]nc2cc(C(=O)[O-])ccc21 ZINC000345445141 294183787 /nfs/dbraw/zinc/18/37/87/294183787.db2.gz TUKIDFQUQWRPNH-UHFFFAOYSA-N -1 1 337.295 2.723 20 5 EFBDMM O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000298889764 311032260 /nfs/dbraw/zinc/03/22/60/311032260.db2.gz ZXRCAYCMJXQPCG-UHFFFAOYSA-N -1 1 342.355 2.801 20 5 EFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCC[C@@H]3C2)s1 ZINC000332238728 311476141 /nfs/dbraw/zinc/47/61/41/311476141.db2.gz PPFPCFFYCOYYTF-GMTAPVOTSA-N -1 1 330.431 2.903 20 5 EFBDMM Cc1cc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)n[nH]1 ZINC000426907072 312534612 /nfs/dbraw/zinc/53/46/12/312534612.db2.gz LWYJXCJELHLRMX-UHFFFAOYSA-N -1 1 327.300 2.999 20 5 EFBDMM COc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1Br ZINC000471749112 313155664 /nfs/dbraw/zinc/15/56/64/313155664.db2.gz KZXDJOKCYWYVJR-UHFFFAOYSA-N -1 1 340.133 2.946 20 5 EFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cccc2ccccc21 ZINC000525174484 316193352 /nfs/dbraw/zinc/19/33/52/316193352.db2.gz AMSRHABVRVXOKB-UHFFFAOYSA-N -1 1 343.364 2.622 20 5 EFBDMM CC(C)(C)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525186016 316194798 /nfs/dbraw/zinc/19/47/98/316194798.db2.gz UBLZHDBJUJLKDE-NEPJUHHUSA-N -1 1 341.433 2.873 20 5 EFBDMM Cc1cc([C@@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c(C)s1 ZINC000525186038 316195017 /nfs/dbraw/zinc/19/50/17/316195017.db2.gz YINCOMGKRFBSKW-SECBINFHSA-N -1 1 341.414 2.708 20 5 EFBDMM C[C@@H]([C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000531129923 317223464 /nfs/dbraw/zinc/22/34/64/317223464.db2.gz QXVYLPKGICKDBW-RYUDHWBXSA-N -1 1 341.433 2.873 20 5 EFBDMM CC(C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000547387570 318003147 /nfs/dbraw/zinc/00/31/47/318003147.db2.gz CZMKREGHPMZHFK-CHWSQXEVSA-N -1 1 341.433 2.873 20 5 EFBDMM CC1(C)CC(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000548046373 318067136 /nfs/dbraw/zinc/06/71/36/318067136.db2.gz DTBLWGXSXPIMIR-UHFFFAOYSA-N -1 1 332.809 2.963 20 5 EFBDMM Cc1ccc(-c2nnc([N-]C(=O)c3c[nH]nc3[N+](=O)[O-])s2)c(C)c1 ZINC000554877952 318338863 /nfs/dbraw/zinc/33/88/63/318338863.db2.gz SNHRMHVUKRSGPD-UHFFFAOYSA-N -1 1 344.356 2.706 20 5 EFBDMM CN(C)Cc1ccc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1F ZINC000566563156 319089952 /nfs/dbraw/zinc/08/99/52/319089952.db2.gz DIDRKOKUXAIRNI-UHFFFAOYSA-N -1 1 348.334 2.501 20 5 EFBDMM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000567870132 319220451 /nfs/dbraw/zinc/22/04/51/319220451.db2.gz UAOCXRPCGMVULQ-UHFFFAOYSA-N -1 1 338.389 2.707 20 5 EFBDMM CCN(CCC(=O)[O-])Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000568521134 319292212 /nfs/dbraw/zinc/29/22/12/319292212.db2.gz SEGMPZHZSWUWRP-UHFFFAOYSA-N -1 1 348.302 2.501 20 5 EFBDMM O=C([O-])CCC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000581315921 324351506 /nfs/dbraw/zinc/35/15/06/324351506.db2.gz ZGBVCVWQEXAVFJ-UHFFFAOYSA-N -1 1 333.344 2.813 20 5 EFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000005121378 471486326 /nfs/dbraw/zinc/48/63/26/471486326.db2.gz FVWLYAJMQFVOKQ-UHFFFAOYSA-N -1 1 326.305 2.543 20 5 EFBDMM CCSc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC)s1 ZINC000007920662 471647258 /nfs/dbraw/zinc/64/72/58/471647258.db2.gz SVSCOPONJAHZPK-UHFFFAOYSA-N -1 1 340.386 2.819 20 5 EFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NC1CC1 ZINC000008148428 471667116 /nfs/dbraw/zinc/66/71/16/471667116.db2.gz UDLHOXJPMBEFEA-UHFFFAOYSA-N -1 1 333.369 2.970 20 5 EFBDMM CC(C)n1c(CNC(=O)C=Cc2cccc([N+](=O)[O-])c2)n[n-]c1=S ZINC000067071594 471988951 /nfs/dbraw/zinc/98/89/51/471988951.db2.gz MRSNBGZNZKHTJV-VOTSOKGWSA-N -1 1 347.400 2.759 20 5 EFBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c1C ZINC000026543827 472142267 /nfs/dbraw/zinc/14/22/67/472142267.db2.gz VYFPTNDKCHICLU-UHFFFAOYSA-N -1 1 348.380 2.947 20 5 EFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C1CCCC1 ZINC000075639909 472176230 /nfs/dbraw/zinc/17/62/30/472176230.db2.gz SRUVGUUDHSYDKO-UHFFFAOYSA-N -1 1 349.206 2.578 20 5 EFBDMM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1F ZINC000055619154 472213548 /nfs/dbraw/zinc/21/35/48/472213548.db2.gz ROVSGLXMPDGBJR-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H](C1CC1)N1CCCC1 ZINC000128671111 472482993 /nfs/dbraw/zinc/48/29/93/472482993.db2.gz AHAQKKNLYUSMKV-CYBMUJFWSA-N -1 1 339.779 2.767 20 5 EFBDMM CCOC(=O)c1ccnc([N-]c2cnn(C(C)(C)C)c2)c1[N+](=O)[O-] ZINC000077937732 472643070 /nfs/dbraw/zinc/64/30/70/472643070.db2.gz QQWZSPISALQFJG-UHFFFAOYSA-N -1 1 333.348 2.862 20 5 EFBDMM CCOC(=O)c1ccnc([N-]c2cnn(CC3CC3)c2)c1[N+](=O)[O-] ZINC000078676024 472752509 /nfs/dbraw/zinc/75/25/09/472752509.db2.gz CUAMUTGXWXVEKS-UHFFFAOYSA-N -1 1 331.332 2.517 20 5 EFBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1nccs1 ZINC000159968558 473077768 /nfs/dbraw/zinc/07/77/68/473077768.db2.gz CNFUXNKQWMXPPA-SNVBAGLBSA-N -1 1 341.414 2.789 20 5 EFBDMM COc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)cc1[N+](=O)[O-] ZINC000160225037 473097880 /nfs/dbraw/zinc/09/78/80/473097880.db2.gz CEFOGAXRLHJPJO-UHFFFAOYSA-N -1 1 343.299 2.542 20 5 EFBDMM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1ccc([N+](=O)[O-])cc1F ZINC000109625924 473112522 /nfs/dbraw/zinc/11/25/22/473112522.db2.gz PWJHTJMLQPUCPC-UHFFFAOYSA-N -1 1 345.265 2.910 20 5 EFBDMM CCc1ccc(C(C)(C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000081078368 473142228 /nfs/dbraw/zinc/14/22/28/473142228.db2.gz QGPRDTQZNNIVBG-UHFFFAOYSA-N -1 1 349.412 2.766 20 5 EFBDMM C[C@]1(c2ccccc2)CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000113442880 473394335 /nfs/dbraw/zinc/39/43/35/473394335.db2.gz PSFKGBYCGVNACG-SFHVURJKSA-N -1 1 341.367 2.889 20 5 EFBDMM O=C(NCC1(c2cccc(Cl)c2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185710071 473494737 /nfs/dbraw/zinc/49/47/37/473494737.db2.gz QRHDNJWQJQQRIL-UHFFFAOYSA-N -1 1 347.758 2.810 20 5 EFBDMM Cc1cc(C)cc(C[C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000185746616 473504521 /nfs/dbraw/zinc/50/45/21/473504521.db2.gz USHODQLGZHQWRM-LBPRGKRZSA-N -1 1 329.356 2.673 20 5 EFBDMM CO[C@@H](C)c1nc(Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cs1 ZINC000274012946 473704373 /nfs/dbraw/zinc/70/43/73/473704373.db2.gz NCXUXRVVICVDNK-ZETCQYMHSA-N -1 1 335.345 2.728 20 5 EFBDMM O=C(N[C@H]1CCSc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186785437 473756022 /nfs/dbraw/zinc/75/60/22/473756022.db2.gz FQKWHXNLRISCPA-NSHDSACASA-N -1 1 331.353 2.662 20 5 EFBDMM O=C(NC[C@H]1CCCc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186879931 473774234 /nfs/dbraw/zinc/77/42/34/473774234.db2.gz HXGKNAISGOXMFV-GFCCVEGCSA-N -1 1 327.340 2.545 20 5 EFBDMM O=C(NCCc1ccc2ccccc2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186922921 473781507 /nfs/dbraw/zinc/78/15/07/473781507.db2.gz DISAHFOTWOWFSW-UHFFFAOYSA-N -1 1 337.335 2.821 20 5 EFBDMM Cc1ccc(SCCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000186936191 473785419 /nfs/dbraw/zinc/78/54/19/473785419.db2.gz WPHMKORRNNQPCE-UHFFFAOYSA-N -1 1 333.369 2.526 20 5 EFBDMM CN(CCCCc1ccccc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000193855743 473815330 /nfs/dbraw/zinc/81/53/30/473815330.db2.gz QQTBYIXAMUYILI-UHFFFAOYSA-N -1 1 329.356 2.790 20 5 EFBDMM O=C(N[C@@H](c1ccccc1)C1CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187107202 473819198 /nfs/dbraw/zinc/81/91/98/473819198.db2.gz FVXBKYLLJCFAQI-HNNXBMFYSA-N -1 1 327.340 2.967 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1Cc1ccccc1 ZINC000187213940 473838568 /nfs/dbraw/zinc/83/85/68/473838568.db2.gz YKVONRUYRKVLAU-CQSZACIVSA-N -1 1 327.340 2.543 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccco1)Cc1ccco1 ZINC000188149077 474001580 /nfs/dbraw/zinc/00/15/80/474001580.db2.gz CYFUYLMNYPPQCI-UHFFFAOYSA-N -1 1 343.295 2.724 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000188150217 474001643 /nfs/dbraw/zinc/00/16/43/474001643.db2.gz HDBBHJASMBARKM-UHFFFAOYSA-N -1 1 349.293 2.778 20 5 EFBDMM Cc1nc2c(s1)[C@@H](N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CCC2 ZINC000188472785 474105540 /nfs/dbraw/zinc/10/55/40/474105540.db2.gz KHJMYFHMJFGBSL-NSHDSACASA-N -1 1 348.384 2.610 20 5 EFBDMM CCN(Cc1c[nH]c2ccccc12)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000188963661 474246670 /nfs/dbraw/zinc/24/66/70/474246670.db2.gz GALGCJVAXLDDDV-UHFFFAOYSA-N -1 1 340.339 2.839 20 5 EFBDMM CC(C)(C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1 ZINC000265744725 474319858 /nfs/dbraw/zinc/31/98/58/474319858.db2.gz CNEKJHLQXCBSTD-UHFFFAOYSA-N -1 1 343.265 2.648 20 5 EFBDMM O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000189343216 474365759 /nfs/dbraw/zinc/36/57/59/474365759.db2.gz XGZVLXWZPBZFGP-UKRRQHHQSA-N -1 1 341.367 2.837 20 5 EFBDMM Cc1ccc(-c2cc(C(=O)[N-]c3c([N+](=O)[O-])cnn3C)on2)cc1 ZINC000184401296 474509378 /nfs/dbraw/zinc/50/93/78/474509378.db2.gz MPIVZGJJVWIVCN-UHFFFAOYSA-N -1 1 327.300 2.544 20 5 EFBDMM COCc1nsc([N-]C(=O)c2cc(SC)ccc2[N+](=O)[O-])n1 ZINC000273133023 474735392 /nfs/dbraw/zinc/73/53/92/474735392.db2.gz TZUIYFLDAJKPSY-UHFFFAOYSA-N -1 1 340.386 2.567 20 5 EFBDMM COCCN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCCSC1 ZINC000339220185 475052518 /nfs/dbraw/zinc/05/25/18/475052518.db2.gz XZRWCLYXDKPYLL-CYBMUJFWSA-N -1 1 326.418 2.644 20 5 EFBDMM CC(C)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000337595708 475165566 /nfs/dbraw/zinc/16/55/66/475165566.db2.gz FRWBRKXVNKTFFW-CQSZACIVSA-N -1 1 333.319 2.962 20 5 EFBDMM O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000613950735 480153146 /nfs/dbraw/zinc/15/31/46/480153146.db2.gz GSJJWEGMLAICTC-UHFFFAOYSA-N -1 1 346.730 2.760 20 5 EFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccnc(OCC(F)F)c3)no2)[n-]1 ZINC000357972698 475302142 /nfs/dbraw/zinc/30/21/42/475302142.db2.gz KCHAUWPMKDWDBZ-UHFFFAOYSA-N -1 1 337.242 2.679 20 5 EFBDMM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000354673152 475330650 /nfs/dbraw/zinc/33/06/50/475330650.db2.gz RCNQPUDFZJDSAC-QMMMGPOBSA-N -1 1 326.296 2.604 20 5 EFBDMM O=C(NCc1ccc(-c2ccccc2)o1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000341875516 475373907 /nfs/dbraw/zinc/37/39/07/475373907.db2.gz LKZTWQMRYBKOTF-UHFFFAOYSA-N -1 1 339.307 2.885 20 5 EFBDMM O=[N+]([O-])c1cccc(C=C([O-])Nc2nc(-c3ccccc3)ns2)c1 ZINC000358369743 475624444 /nfs/dbraw/zinc/62/44/44/475624444.db2.gz USPUVMMBTLMPNW-UHFFFAOYSA-N -1 1 340.364 2.716 20 5 EFBDMM COc1ccc([N-]C(=O)c2nc3cccnc3s2)c([N+](=O)[O-])c1 ZINC000338221359 475686272 /nfs/dbraw/zinc/68/62/72/475686272.db2.gz NFBKJBXYFVVHJA-UHFFFAOYSA-N -1 1 330.325 2.860 20 5 EFBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCO3)cc1[N+](=O)[O-] ZINC000358494289 475723182 /nfs/dbraw/zinc/72/31/82/475723182.db2.gz NOKNBKZBHFLOLF-UHFFFAOYSA-N -1 1 334.353 2.639 20 5 EFBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000355267004 475790326 /nfs/dbraw/zinc/79/03/26/475790326.db2.gz OOHYRBJSRITCCH-UHFFFAOYSA-N -1 1 346.315 2.673 20 5 EFBDMM Cc1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2Cl)n[nH]1 ZINC000343153524 475814404 /nfs/dbraw/zinc/81/44/04/475814404.db2.gz ZXMMBJTZXCULPF-UHFFFAOYSA-N -1 1 346.734 2.922 20 5 EFBDMM CC(C)(C)c1ccc(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000361918701 475867390 /nfs/dbraw/zinc/86/73/90/475867390.db2.gz LARGCRGRZFCAPM-UHFFFAOYSA-N -1 1 343.383 2.965 20 5 EFBDMM CC[C@@H](C)n1ncc([N-]c2nc(C(=O)OC)ccc2[N+](=O)[O-])c1C ZINC000343230835 475873169 /nfs/dbraw/zinc/87/31/69/475873169.db2.gz WOAUQIHXQDUSOS-SECBINFHSA-N -1 1 333.348 2.996 20 5 EFBDMM Cc1cc2[nH]ncc2cc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000358793325 475942186 /nfs/dbraw/zinc/94/21/86/475942186.db2.gz YDCZFSHVIPBXJD-UHFFFAOYSA-N -1 1 346.368 2.889 20 5 EFBDMM O=C(Nc1ccc(F)cc1[O-])c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000340327158 475947311 /nfs/dbraw/zinc/94/73/11/475947311.db2.gz BAIGTNBDUVRBJE-UHFFFAOYSA-N -1 1 342.286 2.878 20 5 EFBDMM CC(=O)Nc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2s1 ZINC000343360344 475985334 /nfs/dbraw/zinc/98/53/34/475985334.db2.gz HARVULBWJAMOBD-UHFFFAOYSA-N -1 1 345.340 2.743 20 5 EFBDMM COC(=O)c1c(F)ccc([N-]C(=O)c2ccc([N+](=O)[O-])s2)c1F ZINC000362270975 476130227 /nfs/dbraw/zinc/13/02/27/476130227.db2.gz VXYNIAQLIQKHKN-UHFFFAOYSA-N -1 1 342.279 2.973 20 5 EFBDMM CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1c(F)ccc([O-])c1F ZINC000359132142 476207327 /nfs/dbraw/zinc/20/73/27/476207327.db2.gz RYMPACLZICSCEL-UHFFFAOYSA-N -1 1 336.294 2.893 20 5 EFBDMM O=C(NCC1(c2ccccc2)CCCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000302995542 476216169 /nfs/dbraw/zinc/21/61/69/476216169.db2.gz XCPOYLVNDALZHS-UHFFFAOYSA-N -1 1 341.367 2.937 20 5 EFBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(CC(C)C)n[nH]1 ZINC000353857488 476302794 /nfs/dbraw/zinc/30/27/94/476302794.db2.gz MFNJKGXPPUHNAW-UHFFFAOYSA-N -1 1 338.389 2.626 20 5 EFBDMM Cc1nc([N+](=O)[O-])cn1Cc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000350815849 476303805 /nfs/dbraw/zinc/30/38/05/476303805.db2.gz OMTINWVUOVSHDW-UHFFFAOYSA-N -1 1 335.707 2.557 20 5 EFBDMM O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccc(F)cc1[O-] ZINC000362959450 476503182 /nfs/dbraw/zinc/50/31/82/476503182.db2.gz ZLOOVCNEIKXKJK-UHFFFAOYSA-N -1 1 326.230 2.899 20 5 EFBDMM O=C(N[C@H]1CC[C@@H](c2cccc(F)c2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000360992533 476529718 /nfs/dbraw/zinc/52/97/18/476529718.db2.gz HISOCCHDABXBJW-YPMHNXCESA-N -1 1 345.330 2.901 20 5 EFBDMM CCc1c([N-]c2nccc(C(N)=O)c2[N+](=O)[O-])cnn1C(CC)CC ZINC000357680319 476533733 /nfs/dbraw/zinc/53/37/33/476533733.db2.gz MABHTZFEQCRWMD-UHFFFAOYSA-N -1 1 346.391 2.952 20 5 EFBDMM Cc1ccc(NC(=O)Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c(C)c1 ZINC000445364833 476738823 /nfs/dbraw/zinc/73/88/23/476738823.db2.gz LHPFZEIELVRNDR-UHFFFAOYSA-N -1 1 341.327 2.771 20 5 EFBDMM O=C(NCC[C@@H]1CCc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000452305735 476910903 /nfs/dbraw/zinc/91/09/03/476910903.db2.gz AYJNZPYGZBKPGO-LBPRGKRZSA-N -1 1 327.340 2.545 20 5 EFBDMM CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000447064411 476948531 /nfs/dbraw/zinc/94/85/31/476948531.db2.gz XAVVUZWAPDELJX-UHFFFAOYSA-N -1 1 332.360 2.593 20 5 EFBDMM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CC(F)(F)F ZINC000416609313 477238160 /nfs/dbraw/zinc/23/81/60/477238160.db2.gz UQXRSGWQZCBJFJ-SSDOTTSWSA-N -1 1 344.286 2.601 20 5 EFBDMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000436509112 477498156 /nfs/dbraw/zinc/49/81/56/477498156.db2.gz RHQITIFIMKNPKT-UHFFFAOYSA-N -1 1 330.296 2.648 20 5 EFBDMM Cc1[nH]nc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000436722422 477571378 /nfs/dbraw/zinc/57/13/78/477571378.db2.gz NFZMSNRSJHRVET-UHFFFAOYSA-N -1 1 330.222 2.603 20 5 EFBDMM COc1cc(/C=C/c2nc(C(=O)[O-])c(C)s2)cc([N+](=O)[O-])c1O ZINC000436782554 477588860 /nfs/dbraw/zinc/58/88/60/477588860.db2.gz IWCRJNOEHFFGFG-ONEGZZNKSA-N -1 1 336.325 2.943 20 5 EFBDMM CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccco1 ZINC000436867637 477620629 /nfs/dbraw/zinc/62/06/29/477620629.db2.gz DQTVKDJIEDARSU-CQSZACIVSA-N -1 1 347.371 2.706 20 5 EFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC=C(c2ccccc2)C1 ZINC000377066493 477625834 /nfs/dbraw/zinc/62/58/34/477625834.db2.gz JSQUZQMPXRLYPV-UHFFFAOYSA-N -1 1 325.324 2.625 20 5 EFBDMM COc1cccc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)c1[O-] ZINC000436998274 477660259 /nfs/dbraw/zinc/66/02/59/477660259.db2.gz PEOHWDWSKSMEQO-UHFFFAOYSA-N -1 1 327.296 2.950 20 5 EFBDMM O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000439241869 477946899 /nfs/dbraw/zinc/94/68/99/477946899.db2.gz YKBPZVHFCFNDDR-BDAKNGLRSA-N -1 1 347.293 2.794 20 5 EFBDMM O=C([O-])c1cccc2c1CCN(CCOc1ccccc1[N+](=O)[O-])C2 ZINC000519783001 478259980 /nfs/dbraw/zinc/25/99/80/478259980.db2.gz WGCNDXMNRFPVLL-UHFFFAOYSA-N -1 1 342.351 2.730 20 5 EFBDMM COc1cc(OC)c2c(c1)N(C(=O)c1ccc([N+](=O)[O-])[n-]1)CCC2 ZINC000600309585 478333056 /nfs/dbraw/zinc/33/30/56/478333056.db2.gz NQNHMYYHLTXKFE-UHFFFAOYSA-N -1 1 331.328 2.533 20 5 EFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@H](OC3CCC3)C2)c1 ZINC000594585643 478449101 /nfs/dbraw/zinc/44/91/01/478449101.db2.gz NEXNQGOXTPJWAL-HNNXBMFYSA-N -1 1 334.372 2.827 20 5 EFBDMM C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@@H]1C(=O)[O-] ZINC000600799077 478527285 /nfs/dbraw/zinc/52/72/85/478527285.db2.gz CZPOOOUBMBNCJJ-CABZTGNLSA-N -1 1 344.314 2.739 20 5 EFBDMM CC(C)N(Cc1ccccc1F)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600839852 478539756 /nfs/dbraw/zinc/53/97/56/478539756.db2.gz SHZDXLABNIKLQX-UHFFFAOYSA-N -1 1 333.319 2.885 20 5 EFBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)Cc2cc(C(C)(C)C)[nH]n2)n1 ZINC000565036873 478892842 /nfs/dbraw/zinc/89/28/42/478892842.db2.gz VYXMMVDJOBMPJS-UHFFFAOYSA-N -1 1 347.375 2.653 20 5 EFBDMM CC(C)CCc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000514790380 479066701 /nfs/dbraw/zinc/06/67/01/479066701.db2.gz RJWQZFPEJKMVOF-UHFFFAOYSA-N -1 1 338.389 2.707 20 5 EFBDMM COc1cc(CN2CCc3ccccc3[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000569734264 479166317 /nfs/dbraw/zinc/16/63/17/479166317.db2.gz YGXUBXKMKBFOKZ-KRWDZBQOSA-N -1 1 342.351 2.787 20 5 EFBDMM Cc1cc(NCc2n[nH]c(C(C)(C)C)n2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000574210695 479242560 /nfs/dbraw/zinc/24/25/60/479242560.db2.gz XBGYQXMSOGNDNA-UHFFFAOYSA-N -1 1 333.348 2.629 20 5 EFBDMM CCN(CC)Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000611294695 479340815 /nfs/dbraw/zinc/34/08/15/479340815.db2.gz WWLDMUDWBWTGPD-UHFFFAOYSA-N -1 1 333.344 2.988 20 5 EFBDMM CO[C@@]1(C)C[C@@H](N(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1(C)C ZINC000593743530 479443664 /nfs/dbraw/zinc/44/36/64/479443664.db2.gz INHLDPABSOKHHA-PBHICJAKSA-N -1 1 336.388 2.928 20 5 EFBDMM CO[C@]1(C)C[C@H](N(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1(C)C ZINC000593743532 479443802 /nfs/dbraw/zinc/44/38/02/479443802.db2.gz INHLDPABSOKHHA-WMLDXEAASA-N -1 1 336.388 2.928 20 5 EFBDMM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000593748476 479445996 /nfs/dbraw/zinc/44/59/96/479445996.db2.gz NWGYOILMFWWXLB-LLVKDONJSA-N -1 1 346.387 2.794 20 5 EFBDMM O=C([O-])c1cccc2c1CN(CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000593752379 479446971 /nfs/dbraw/zinc/44/69/71/479446971.db2.gz KDPBLXGMBOPGQY-UHFFFAOYSA-N -1 1 342.351 2.730 20 5 EFBDMM C[C@H](CSc1ccccc1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000593762775 479453416 /nfs/dbraw/zinc/45/34/16/479453416.db2.gz WZUVZTQRPBFXQX-LLVKDONJSA-N -1 1 347.396 2.948 20 5 EFBDMM O=C(Nc1c(=O)[nH][nH]c1-c1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000590398920 479639164 /nfs/dbraw/zinc/63/91/64/479639164.db2.gz BNVFURMVHCZLBJ-UHFFFAOYSA-N -1 1 340.295 2.648 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000590549442 479658782 /nfs/dbraw/zinc/65/87/82/479658782.db2.gz FYSJPQPOCKJAMP-UHFFFAOYSA-N -1 1 332.385 2.917 20 5 EFBDMM Cc1ccccc1[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)C ZINC000610263689 480264668 /nfs/dbraw/zinc/26/46/68/480264668.db2.gz ZDONYGXENRGAEH-OAHLLOKOSA-N -1 1 349.412 2.974 20 5 EFBDMM O=C([N-]c1c(F)cc(F)cc1F)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000610388612 480294823 /nfs/dbraw/zinc/29/48/23/480294823.db2.gz OUUJSDUVFKNLCF-UHFFFAOYSA-N -1 1 340.213 2.993 20 5 EFBDMM CCCN(Cc1ccccc1F)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618347423 480628332 /nfs/dbraw/zinc/62/83/32/480628332.db2.gz BDYFYDHAQUWHEB-UHFFFAOYSA-N -1 1 333.319 2.887 20 5 EFBDMM CC1(C)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000618360098 480643815 /nfs/dbraw/zinc/64/38/15/480643815.db2.gz VUASNTAVHJBLMT-AWEZNQCLSA-N -1 1 327.340 2.919 20 5 EFBDMM C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618383348 480651123 /nfs/dbraw/zinc/65/11/23/480651123.db2.gz OUKNWRVHVAAJKZ-SECBINFHSA-N -1 1 331.303 2.594 20 5 EFBDMM COc1ccc([N-]C(=O)c2cc(-c3cccnc3)on2)c([N+](=O)[O-])c1 ZINC000119836649 524624585 /nfs/dbraw/zinc/62/45/85/524624585.db2.gz XMLPGUDPLZMZFK-UHFFFAOYSA-N -1 1 340.295 2.906 20 5 EFBDMM COc1ccccc1[C@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193536789 524808522 /nfs/dbraw/zinc/80/85/22/524808522.db2.gz QIMRTYUAZFMGDX-CYBMUJFWSA-N -1 1 343.339 2.681 20 5 EFBDMM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](C)c1cccc(OC)c1 ZINC000187555420 529098147 /nfs/dbraw/zinc/09/81/47/529098147.db2.gz LBJOUKKANJPQHI-LLVKDONJSA-N -1 1 345.355 2.927 20 5 EFBDMM CC(C)(CF)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000351771739 535064463 /nfs/dbraw/zinc/06/44/63/535064463.db2.gz GMKBLBWJGNUGDL-UHFFFAOYSA-N -1 1 344.286 2.640 20 5 EFBDMM Cc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768832194 577307304 /nfs/dbraw/zinc/30/73/04/577307304.db2.gz DRYTWSWNROQESY-CYBMUJFWSA-N -1 1 338.410 2.931 20 5 EFBDMM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)CC2 ZINC000768838957 577308101 /nfs/dbraw/zinc/30/81/01/577308101.db2.gz YVFJFYGHTKZHDJ-CYBMUJFWSA-N -1 1 338.410 2.931 20 5 EFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000769050052 577328198 /nfs/dbraw/zinc/32/81/98/577328198.db2.gz ZAFWVXKJXUPPKD-UHFFFAOYSA-N -1 1 337.234 2.618 20 5 EFBDMM O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1c([O-])cccc1Cl ZINC000769599929 577374167 /nfs/dbraw/zinc/37/41/67/577374167.db2.gz DLQUJPLPBPZJCN-UHFFFAOYSA-N -1 1 346.730 2.760 20 5 EFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCCc1cccs1 ZINC000769672318 577377998 /nfs/dbraw/zinc/37/79/98/577377998.db2.gz QIVFBZYCICLHSJ-UHFFFAOYSA-N -1 1 344.389 2.707 20 5 EFBDMM Cc1cc2cn[nH]c2c(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000738335580 600187972 /nfs/dbraw/zinc/18/79/72/600187972.db2.gz JXBCKKVZMMVAEX-UHFFFAOYSA-N -1 1 340.295 2.730 20 5 EFBDMM CC(C)[C@@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)N1CCCCC1 ZINC000736347207 600190121 /nfs/dbraw/zinc/19/01/21/600190121.db2.gz GQEPHEDUUFHGIB-HNNXBMFYSA-N -1 1 349.387 2.742 20 5 EFBDMM C[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000833630230 604665808 /nfs/dbraw/zinc/66/58/08/604665808.db2.gz QGLWTEBFFBTQOZ-WPRPVWTQSA-N -1 1 343.177 2.510 20 5 EFBDMM C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000833630227 604665965 /nfs/dbraw/zinc/66/59/65/604665965.db2.gz QGLWTEBFFBTQOZ-PSASIEDQSA-N -1 1 343.177 2.510 20 5 EFBDMM CCc1nc([C@@H](C)Nc2ccc(C=CC(=O)[O-])cc2[N+](=O)[O-])n[nH]1 ZINC000833673184 605007470 /nfs/dbraw/zinc/00/74/70/605007470.db2.gz HXIIGBRYTJMPTC-WILPJHFFSA-N -1 1 331.332 2.546 20 5 EFBDMM CC(C)[C@H]1CCC[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820038787 606707727 /nfs/dbraw/zinc/70/77/27/606707727.db2.gz RRZMJTWUDAOUON-WDEREUQCSA-N -1 1 331.380 2.797 20 5 EFBDMM CC(C)[C@H]1CCC[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000820038787 606707728 /nfs/dbraw/zinc/70/77/28/606707728.db2.gz RRZMJTWUDAOUON-WDEREUQCSA-N -1 1 331.380 2.797 20 5 EFBDMM C[C@@H]1CCC[C@@H](CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820697441 606710377 /nfs/dbraw/zinc/71/03/77/606710377.db2.gz HICTZTADRHXWPH-MNOVXSKESA-N -1 1 331.380 2.798 20 5 EFBDMM C[C@@H]1CCC[C@@H](CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000820697441 606710379 /nfs/dbraw/zinc/71/03/79/606710379.db2.gz HICTZTADRHXWPH-MNOVXSKESA-N -1 1 331.380 2.798 20 5 EFBDMM C[C@H]1CCC[C@H](CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820697443 606710383 /nfs/dbraw/zinc/71/03/83/606710383.db2.gz HICTZTADRHXWPH-WDEREUQCSA-N -1 1 331.380 2.798 20 5 EFBDMM C[C@H]1CCC[C@H](CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000820697443 606710385 /nfs/dbraw/zinc/71/03/85/606710385.db2.gz HICTZTADRHXWPH-WDEREUQCSA-N -1 1 331.380 2.798 20 5 EFBDMM O=[N+]([O-])c1ccc(F)cc1COc1cccc(F)c1-c1nnn[n-]1 ZINC000826498313 607865035 /nfs/dbraw/zinc/86/50/35/607865035.db2.gz PHSILADPELNDHM-UHFFFAOYSA-N -1 1 333.254 2.632 20 5 EFBDMM O=[N+]([O-])c1ccc(F)cc1COc1cccc(F)c1-c1nn[n-]n1 ZINC000826498313 607865036 /nfs/dbraw/zinc/86/50/36/607865036.db2.gz PHSILADPELNDHM-UHFFFAOYSA-N -1 1 333.254 2.632 20 5 EFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1CCCCCCC1 ZINC000742279801 1269960395 /nfs/dbraw/zinc/96/03/95/1269960395.db2.gz ZFVOXJYOPKJRHE-UHFFFAOYSA-N -1 1 327.406 2.629 20 5 EFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000742320668 1270000370 /nfs/dbraw/zinc/00/03/70/1270000370.db2.gz YRLGKHPEIGFZNN-GRYCIOLGSA-N -1 1 342.392 2.981 20 5 EFBDMM Cc1ccc2c(Nc3[n-]c(=O)nc4nc[nH]c43)nccc2c1[N+](=O)[O-] ZINC001170226133 1278938940 /nfs/dbraw/zinc/93/89/40/1278938940.db2.gz CLAJEKBYZNNDCK-UHFFFAOYSA-N -1 1 337.299 2.567 20 5 EFBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CCC1 ZINC000815027414 1287276872 /nfs/dbraw/zinc/27/68/72/1287276872.db2.gz QOAJUXUFEKNKCU-ZETCQYMHSA-N -1 1 336.772 2.854 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C2CC3(CCC3)C2)cc1Cl ZINC000846035543 1279994176 /nfs/dbraw/zinc/99/41/76/1279994176.db2.gz VUWJRKGXLKDCRB-UHFFFAOYSA-N -1 1 348.783 2.998 20 5 EFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C1CC2(CCC2)C1 ZINC000846038072 1279995765 /nfs/dbraw/zinc/99/57/65/1279995765.db2.gz QTENNXNYKBOJFX-UHFFFAOYSA-N -1 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ZINC000814285096 1286477192 /nfs/dbraw/zinc/47/71/92/1286477192.db2.gz DTBLCILXEXZPNU-NSHDSACASA-N -1 1 348.352 2.941 20 5 EFBDMM COc1ccc(Nc2cccc(C(=O)N(C)C)c2[O-])cc1[N+](=O)[O-] ZINC001176361744 1287965833 /nfs/dbraw/zinc/96/58/33/1287965833.db2.gz JTGGBUGIIZNFRY-UHFFFAOYSA-N -1 1 331.328 2.754 20 5 EFBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccoc2)c1Br ZINC000795571052 1290336231 /nfs/dbraw/zinc/33/62/31/1290336231.db2.gz GYGSREIZKYKKLJ-UHFFFAOYSA-N -1 1 347.146 2.751 20 5 EFBDMM Cc1nc2cc(-c3noc(-c4[n-]cnc4[N+](=O)[O-])n3)ccc2s1 ZINC001212892991 1290622575 /nfs/dbraw/zinc/62/25/75/1290622575.db2.gz HOWXNXZWIQALMC-UHFFFAOYSA-N -1 1 328.313 2.953 20 5 EFBDMM COc1c(Cl)ccc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)c1F ZINC001212893085 1290626588 /nfs/dbraw/zinc/62/65/88/1290626588.db2.gz LTPXPEQDQCGGCZ-UHFFFAOYSA-N -1 1 339.670 2.836 20 5 EFBDMM CC(=O)N1CCC[C@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)C1 ZINC001233499226 1312944213 /nfs/dbraw/zinc/94/42/13/1312944213.db2.gz NJFUICGQNILUMS-VIFPVBQESA-N 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337.309 2.506 20 5 EFBDMM CC(C)c1ccc(C(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1[N+](=O)[O-] ZINC000801702067 1310762693 /nfs/dbraw/zinc/76/26/93/1310762693.db2.gz PKQDUQHHZTXLQL-UHFFFAOYSA-N -1 1 339.355 2.626 20 5 EFBDMM O=C(OCc1ccc(-n2ccnc2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780072620 1311054557 /nfs/dbraw/zinc/05/45/57/1311054557.db2.gz RCCHKJRCJHOQIB-UHFFFAOYSA-N -1 1 339.307 2.843 20 5 EFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000780072570 1311054900 /nfs/dbraw/zinc/05/49/00/1311054900.db2.gz QXOCYXJFAISRJJ-UHFFFAOYSA-N -1 1 337.234 2.618 20 5 EFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000780073125 1311087037 /nfs/dbraw/zinc/08/70/37/1311087037.db2.gz YXTDLWMZZBZCFE-UHFFFAOYSA-N -1 1 337.234 2.618 20 5 EFBDMM COc1ccc(C)cc1C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780076597 1311214918 /nfs/dbraw/zinc/21/49/18/1311214918.db2.gz RTSQSGQWBVSKSQ-UHFFFAOYSA-N -1 1 345.307 2.657 20 5 EFBDMM CCOC(=O)C[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001225660388 1311561105 /nfs/dbraw/zinc/56/11/05/1311561105.db2.gz CWRJOOOIBDNLGH-ZDUSSCGKSA-N -1 1 332.312 2.769 20 5 EFBDMM CCOC(=O)C[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001225660386 1311561283 /nfs/dbraw/zinc/56/12/83/1311561283.db2.gz CWRJOOOIBDNLGH-CYBMUJFWSA-N -1 1 332.312 2.769 20 5 EFBDMM COC(=O)[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccccc1Cl ZINC001225667226 1311561665 /nfs/dbraw/zinc/56/16/65/1311561665.db2.gz PYWGTXGKEYZSJG-GFCCVEGCSA-N -1 1 338.703 2.642 20 5 EFBDMM COC(=O)[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccccc1Cl ZINC001225667226 1311561667 /nfs/dbraw/zinc/56/16/67/1311561667.db2.gz PYWGTXGKEYZSJG-GFCCVEGCSA-N -1 1 338.703 2.642 20 5 EFBDMM CCN(CC)C(=O)[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001225665625 1311561696 /nfs/dbraw/zinc/56/16/96/1311561696.db2.gz CHLJNMFOEKQYQC-OAHLLOKOSA-N -1 1 345.355 2.684 20 5 EFBDMM CCN(CC)C(=O)[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC001225665625 1311561698 /nfs/dbraw/zinc/56/16/98/1311561698.db2.gz CHLJNMFOEKQYQC-OAHLLOKOSA-N -1 1 345.355 2.684 20 5 EFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1CCCC[C@@H]1F ZINC001226310146 1311646228 /nfs/dbraw/zinc/64/62/28/1311646228.db2.gz NDNJTPFNVSDHJY-VHSXEESVSA-N -1 1 328.296 2.532 20 5 EFBDMM C[C@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])c1ncccn1 ZINC001228862360 1312011590 /nfs/dbraw/zinc/01/15/90/1312011590.db2.gz MRUZDXXOECTBCB-LURJTMIESA-N -1 1 330.222 2.644 20 5 EFBDMM C[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC001229398618 1312089261 /nfs/dbraw/zinc/08/92/61/1312089261.db2.gz WJTVWNARXBGKAR-JTQLQIEISA-N -1 1 338.360 2.935 20 5 EFBDMM CCOC(=O)[C@H](C)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229513667 1312108434 /nfs/dbraw/zinc/10/84/34/1312108434.db2.gz AERSRCREBUDLDS-JTQLQIEISA-N -1 1 328.320 2.982 20 5 EFBDMM CC(C)OC(=O)COc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229516959 1312109087 /nfs/dbraw/zinc/10/90/87/1312109087.db2.gz LBLRJSZCTJGCCK-UHFFFAOYSA-N -1 1 328.320 2.982 20 5 EFBDMM O=c1oc2cc([O-])ccc2c2cc(OC[C@H]3CCCO3)c(O)cc12 ZINC001229802210 1312142796 /nfs/dbraw/zinc/14/27/96/1312142796.db2.gz INHOJKVRQIUWJN-LLVKDONJSA-N -1 1 328.320 2.915 20 5 EFBDMM O=c1[n-]cnc(Nc2ccc(F)c([N+](=O)[O-])c2)c1Br ZINC001211190876 1314450039 /nfs/dbraw/zinc/45/00/39/1314450039.db2.gz OPQMUZGMWNJKRO-UHFFFAOYSA-N -1 1 329.085 2.736 20 5 EFBDMM Cc1cc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1F ZINC000119380487 1314624183 /nfs/dbraw/zinc/62/41/83/1314624183.db2.gz KYUSCBGPUNEKCY-UHFFFAOYSA-N -1 1 330.362 2.582 20 5 EFBDMM CC[C@@](C)([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1nccs1 ZINC000119829617 1314715103 /nfs/dbraw/zinc/71/51/03/1314715103.db2.gz SDJRLOSOPVXHRY-LLVKDONJSA-N -1 1 347.443 2.717 20 5 EFBDMM O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1c(F)ccc([N+](=O)[O-])c1F ZINC001215289339 1314809763 /nfs/dbraw/zinc/80/97/63/1314809763.db2.gz JKNNYLPVSPKADU-UHFFFAOYSA-N -1 1 329.244 2.799 20 5 EFBDMM COc1ccc2nc([N-]c3ccc(OC)cc3[N+](=O)[O-])nnc2c1 ZINC001248457402 1314936321 /nfs/dbraw/zinc/93/63/21/1314936321.db2.gz QRKYGZQRURYHFV-UHFFFAOYSA-N -1 1 327.300 2.694 20 5 EFBDMM O=[N+]([O-])c1cc(Br)cc([O-])c1OC1CCC(O)CC1 ZINC001218372350 1315185959 /nfs/dbraw/zinc/18/59/59/1315185959.db2.gz QBGLYNLWZFISTG-UHFFFAOYSA-N -1 1 332.150 2.745 20 5 EFBDMM C[C@@H]1CC[C@H](Oc2cc3c([O-])c4c(=O)cccc-4oc3cc2[O-])C[NH2+]1 ZINC001218398707 1315189928 /nfs/dbraw/zinc/18/99/28/1315189928.db2.gz MGQQFUVEOKOSRV-MNOVXSKESA-N -1 1 341.363 2.877 20 5 EFBDMM O=c1c2cc(OC[C@H]3C[C@@H](O)C3)c([O-])cc2oc2cccc(O)c12 ZINC001218432212 1315194934 /nfs/dbraw/zinc/19/49/34/1315194934.db2.gz IJBHLJIVBSWPLP-AOOOYVTPSA-N -1 1 328.320 2.507 20 5 EFBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(OC[C@H]3C[C@@H](O)C3)c12 ZINC001218435965 1315195509 /nfs/dbraw/zinc/19/55/09/1315195509.db2.gz LGPFLKLNTJRXRU-AOOOYVTPSA-N -1 1 328.320 2.507 20 5 EFBDMM COCCn1c(-c2cc([N+](=O)[O-])c(O)cc2[O-])nc2cccc(F)c21 ZINC001251087029 1315320309 /nfs/dbraw/zinc/32/03/09/1315320309.db2.gz MAIPVFTYIIEYIM-UHFFFAOYSA-N -1 1 347.302 2.808 20 5 EFBDMM COC(=O)c1cc2[nH]c(-c3cccc([N+](=O)[O-])c3[O-])nc2cc1OC ZINC001251272607 1315336917 /nfs/dbraw/zinc/33/69/17/1315336917.db2.gz ZUALFCMPAZTXMS-UHFFFAOYSA-N -1 1 343.295 2.639 20 5 EFBDMM COC(=O)c1cc2nc(-c3cc([O-])cc([N+](=O)[O-])c3)[nH]c2cc1OC ZINC001251385536 1315345057 /nfs/dbraw/zinc/34/50/57/1315345057.db2.gz FLAHDDKNVORJOJ-UHFFFAOYSA-N -1 1 343.295 2.639 20 5 EFBDMM O=[N+]([O-])c1nc[n-]c1-c1nnc(-c2cccc(Br)c2)o1 ZINC001253210115 1315581148 /nfs/dbraw/zinc/58/11/48/1315581148.db2.gz OAEYJZNQWDJAOQ-UHFFFAOYSA-N -1 1 336.105 2.797 20 5 EFBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)c(F)c1 ZINC001320960182 1329325228 /nfs/dbraw/zinc/32/52/28/1329325228.db2.gz GSSOXTNRGZUAND-ZETCQYMHSA-N -1 1 339.710 2.979 20 5 EFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000849463470 1335623945 /nfs/dbraw/zinc/62/39/45/1335623945.db2.gz HEBWVAUDBDOXKA-SNVBAGLBSA-N -1 1 336.772 2.854 20 5 EFBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1 ZINC000849464619 1335623998 /nfs/dbraw/zinc/62/39/98/1335623998.db2.gz YSUGZTCUTJVQEC-JTQLQIEISA-N -1 1 336.772 2.854 20 5 EFBDMM Cc1c(Oc2ncc(-c3nnn[n-]3)cc2Cl)cccc1[N+](=O)[O-] ZINC000737219035 1428282854 /nfs/dbraw/zinc/28/28/54/1428282854.db2.gz OXYRCGLYOLVVGU-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM COc1cc(-c2nnn[n-]2)ccc1Oc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000826176562 1428636377 /nfs/dbraw/zinc/63/63/77/1428636377.db2.gz URBYVNVLBOFDMK-UHFFFAOYSA-N -1 1 342.315 2.588 20 5 EFBDMM O=[N+]([O-])c1cnc(Oc2ccc(Cl)cc2F)c(-c2nnn[n-]2)c1 ZINC000823651977 1428848607 /nfs/dbraw/zinc/84/86/07/1428848607.db2.gz UMZMMOAFGNPFDN-UHFFFAOYSA-N -1 1 336.670 2.755 20 5 EFBDMM O=[N+]([O-])c1cc(NCCCOC2CCCCC2)ccc1-c1nnn[n-]1 ZINC000823635073 1428875307 /nfs/dbraw/zinc/87/53/07/1428875307.db2.gz QVUYODSDTQGHPW-UHFFFAOYSA-N -1 1 346.391 2.926 20 5 EFBDMM C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736203978 1428899500 /nfs/dbraw/zinc/89/95/00/1428899500.db2.gz PBAFPWCERXHRNR-LBPRGKRZSA-N -1 1 338.371 2.968 20 5 EFBDMM C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736203978 1428899506 /nfs/dbraw/zinc/89/95/06/1428899506.db2.gz PBAFPWCERXHRNR-LBPRGKRZSA-N -1 1 338.371 2.968 20 5 EFBDMM O=[N+]([O-])c1cc(Cl)cnc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823634223 1429003978 /nfs/dbraw/zinc/00/39/78/1429003978.db2.gz DVRMMGVEJLXWKB-UHFFFAOYSA-N -1 1 349.713 2.575 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1CNc1cccc(-c2nnn[n-]2)c1C ZINC000821846362 1429141710 /nfs/dbraw/zinc/14/17/10/1429141710.db2.gz RZTWBOXTIDHNSF-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM O=[N+]([O-])c1cccc(-c2cnn(Cc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000826499485 1429180865 /nfs/dbraw/zinc/18/08/65/1429180865.db2.gz KFPDOGNCGJEVID-UHFFFAOYSA-N -1 1 347.338 2.687 20 5 EFBDMM CCCc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000821143007 1429329371 /nfs/dbraw/zinc/32/93/71/1429329371.db2.gz NWLJEKKOIGWFMX-UHFFFAOYSA-N -1 1 325.332 2.866 20 5 EFBDMM C[C@H](NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000820425743 1429348472 /nfs/dbraw/zinc/34/84/72/1429348472.db2.gz BQFSCOBRYKCVEG-JTQLQIEISA-N -1 1 342.334 2.765 20 5 EFBDMM CC(C)n1cc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cn1 ZINC000736140635 1423652518 /nfs/dbraw/zinc/65/25/18/1423652518.db2.gz YEGFSNBFMZEKQH-SNVBAGLBSA-N -1 1 342.363 2.725 20 5 EFBDMM Cc1c(NCc2cc(F)ccc2[N+](=O)[O-])cccc1-c1nnn[n-]1 ZINC000822122952 1423693266 /nfs/dbraw/zinc/69/32/66/1423693266.db2.gz RYXCAYHSVSMZDJ-UHFFFAOYSA-N -1 1 328.307 2.835 20 5 EFBDMM COc1ccc(CNc2ccc(C)cc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826203985 1423705210 /nfs/dbraw/zinc/70/52/10/1423705210.db2.gz QBKZWKCKHLHQHJ-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM CCC[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1nnn[n-]1 ZINC000136639256 1424459283 /nfs/dbraw/zinc/45/92/83/1424459283.db2.gz VBCLKFUBPYEHJN-GFCCVEGCSA-N -1 1 346.391 2.677 20 5 EFBDMM C[C@H](CN(C)C(=O)c1cc2ccccc2c2cccnc12)c1nn[n-]n1 ZINC000183443108 1424645513 /nfs/dbraw/zinc/64/55/13/1424645513.db2.gz ZHMJYBWZUUEGHU-GFCCVEGCSA-N -1 1 346.394 2.777 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000823629883 1424906671 /nfs/dbraw/zinc/90/66/71/1424906671.db2.gz KQILDSAZWWUOAN-UKRRQHHQSA-N -1 1 336.355 2.818 20 5 EFBDMM C[C@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@H]1C ZINC000820727084 1429766346 /nfs/dbraw/zinc/76/63/46/1429766346.db2.gz GLZXTPKYZAZYBT-UWVGGRQHSA-N -1 1 339.359 2.558 20 5 EFBDMM Cc1ccccc1C1=CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000826307070 1425367702 /nfs/dbraw/zinc/36/77/02/1425367702.db2.gz VNXXJXQEXAYYIO-UHFFFAOYSA-N -1 1 348.366 2.987 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cc2ccccc2o1 ZINC000823625613 1425397830 /nfs/dbraw/zinc/39/78/30/1425397830.db2.gz ZVRNBXHFKGPUSN-UHFFFAOYSA-N -1 1 337.299 2.528 20 5 EFBDMM Cc1cc2cc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)ccc2[nH]1 ZINC000737285502 1425655088 /nfs/dbraw/zinc/65/50/88/1425655088.db2.gz SVKLFZYXYQXYBM-UHFFFAOYSA-N -1 1 336.315 2.703 20 5 EFBDMM C[C@H]1CCC[C@@H](CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736252828 1425901954 /nfs/dbraw/zinc/90/19/54/1425901954.db2.gz RUJVUMZFFMDEDI-QWRGUYRKSA-N -1 1 331.380 2.798 20 5 EFBDMM C[C@@H]1CCCC[C@@H]1CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736271928 1426123112 /nfs/dbraw/zinc/12/31/12/1426123112.db2.gz PIIXGXJHHZJPLC-GHMZBOCLSA-N -1 1 331.380 2.798 20 5 EFBDMM CC(C)C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000824243232 1426217959 /nfs/dbraw/zinc/21/79/59/1426217959.db2.gz FGRAJQBTRKFBFX-WCQYABFASA-N -1 1 346.391 2.781 20 5 EFBDMM C[C@H](c1ccccc1[N+](=O)[O-])N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820570913 1426233922 /nfs/dbraw/zinc/23/39/22/1426233922.db2.gz UAOCPXVAIAPDOG-GFCCVEGCSA-N -1 1 338.371 2.968 20 5 EFBDMM C[C@H](c1ccccc1[N+](=O)[O-])N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820570913 1426233924 /nfs/dbraw/zinc/23/39/24/1426233924.db2.gz UAOCPXVAIAPDOG-GFCCVEGCSA-N -1 1 338.371 2.968 20 5 EFBDMM Cc1c(COC(=O)c2ccc(-c3nnn[n-]3)s2)cccc1[N+](=O)[O-] ZINC000822028204 1426338925 /nfs/dbraw/zinc/33/89/25/1426338925.db2.gz MFVAZVAFTRIFGD-UHFFFAOYSA-N -1 1 345.340 2.502 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCCc2cccc(F)c2)c(-c2nnn[n-]2)c1 ZINC000738368318 1426448758 /nfs/dbraw/zinc/44/87/58/1426448758.db2.gz CEYZJRNDVMBCPM-UHFFFAOYSA-N -1 1 342.334 2.959 20 5 EFBDMM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1[N+](=O)[O-] ZINC000820428767 1426473260 /nfs/dbraw/zinc/47/32/60/1426473260.db2.gz ZQNSMMXZWUVYAP-SNVBAGLBSA-N -1 1 342.334 2.765 20 5 EFBDMM CN(c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)[C@H]1CCc2ccccc21 ZINC000826004113 1426499462 /nfs/dbraw/zinc/49/94/62/1426499462.db2.gz JBXPADLYWSMWGR-HNNXBMFYSA-N -1 1 336.355 2.899 20 5 EFBDMM COC[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1 ZINC000821683725 1426773718 /nfs/dbraw/zinc/77/37/18/1426773718.db2.gz JCWOJFHCNGEFAG-CQSZACIVSA-N -1 1 340.343 2.575 20 5 EFBDMM Cc1ccsc1CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826316213 1427039555 /nfs/dbraw/zinc/03/95/55/1427039555.db2.gz HNOIXBLDDMPQFM-UHFFFAOYSA-N -1 1 330.373 2.799 20 5 EFBDMM O=[N+]([O-])c1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)c(Cl)c1 ZINC000826497973 1427156646 /nfs/dbraw/zinc/15/66/46/1427156646.db2.gz BFSIKMKNBKDCRZ-RJRFIUFISA-N -1 1 328.719 2.994 20 5 EFBDMM CCS[C@H]1CCC[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821453955 1427399410 /nfs/dbraw/zinc/39/94/10/1427399410.db2.gz BWTQOGGEPLNQOU-YPMHNXCESA-N -1 1 334.405 2.861 20 5 EFBDMM COc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000737053711 1427436436 /nfs/dbraw/zinc/43/64/36/1427436436.db2.gz KZGAEGDWVMBVEU-SNVBAGLBSA-N -1 1 340.343 2.957 20 5 EFBDMM CCCO[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736489566 1427672070 /nfs/dbraw/zinc/67/20/70/1427672070.db2.gz WJQPCKSWWPIBOB-ZDUSSCGKSA-N -1 1 346.391 2.560 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1CNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737117673 1427733589 /nfs/dbraw/zinc/73/35/89/1427733589.db2.gz ZNMYXVFXZLKDBW-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM O=[N+]([O-])c1ccc2ncnc(Oc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000738367272 1428153284 /nfs/dbraw/zinc/15/32/84/1428153284.db2.gz OYZGBSNCXFAKGQ-UHFFFAOYSA-N -1 1 335.283 2.510 20 5 EFBDMM COc1cc(-c2nnn[n-]2)ccc1COc1cc([N+](=O)[O-])ccc1C ZINC000826173033 1429852949 /nfs/dbraw/zinc/85/29/49/1429852949.db2.gz KBUKTGJVJOATIZ-UHFFFAOYSA-N -1 1 341.327 2.671 20 5 EFBDMM C[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C1CCC1 ZINC000824647686 1430059980 /nfs/dbraw/zinc/05/99/80/1430059980.db2.gz BPSZHDUZTYZORM-SECBINFHSA-N -1 1 339.359 2.924 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCC[C@H]2CCCC[C@H]2O)c(-c2nnn[n-]2)c1 ZINC000823640270 1430114948 /nfs/dbraw/zinc/11/49/48/1430114948.db2.gz ZQTSXSGHTCQAPX-IAQYHMDHSA-N -1 1 346.391 2.518 20 5 EFBDMM CC(C)(C)OC1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000819946832 1430168805 /nfs/dbraw/zinc/16/88/05/1430168805.db2.gz SOBIGUOUTRJZIA-UHFFFAOYSA-N -1 1 346.391 2.559 20 5 EFBDMM C[C@@H](NCc1c(F)cccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000824605292 1441459526 /nfs/dbraw/zinc/45/95/26/1441459526.db2.gz HHFLHOQAZKHUQL-SNVBAGLBSA-N -1 1 342.334 2.765 20 5 EFBDMM CC1(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)Cc2ccccc2C1 ZINC000824838935 1441475181 /nfs/dbraw/zinc/47/51/81/1441475181.db2.gz XDPDLWQKNAVXNB-UHFFFAOYSA-N -1 1 336.355 2.744 20 5 EFBDMM CC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000824029150 1441554425 /nfs/dbraw/zinc/55/44/25/1441554425.db2.gz FRFHLINPIMMPSP-UHFFFAOYSA-N -1 1 339.311 2.557 20 5 EFBDMM C[C@H](NCc1cc(F)ccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000824611749 1441635848 /nfs/dbraw/zinc/63/58/48/1441635848.db2.gz DLJCMTUQPXYCMC-JTQLQIEISA-N -1 1 342.334 2.765 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1Oc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737373785 1441927597 /nfs/dbraw/zinc/92/75/97/1441927597.db2.gz WOBMHUBKGBOVBX-UHFFFAOYSA-N -1 1 349.310 2.819 20 5 EFBDMM Cc1ccnc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC000737437802 1442042351 /nfs/dbraw/zinc/04/23/51/1442042351.db2.gz QWXLXUKOKXUPBY-SNVBAGLBSA-N -1 1 325.332 2.651 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Oc1ccc(-n2cccn2)cc1 ZINC000738357934 1442088536 /nfs/dbraw/zinc/08/85/36/1442088536.db2.gz IZRRFJMQTDFMMB-UHFFFAOYSA-N -1 1 349.310 2.753 20 5 EFBDMM CCOc1ccc(-c2nnn[n-]2)cc1NCc1csc([N+](=O)[O-])c1 ZINC000736633617 1442166403 /nfs/dbraw/zinc/16/64/03/1442166403.db2.gz CFIDXYGRZXYZJO-UHFFFAOYSA-N -1 1 346.372 2.847 20 5 EFBDMM Cc1ccc2c(c1)[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)CO2 ZINC000822274561 1443135788 /nfs/dbraw/zinc/13/57/88/1443135788.db2.gz BDFXWBVBAMPQBE-CQSZACIVSA-N -1 1 338.327 2.629 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCc2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000826499068 1443170388 /nfs/dbraw/zinc/17/03/88/1443170388.db2.gz USMGBPXYCUOUHX-UHFFFAOYSA-N -1 1 328.307 2.569 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCC1CCCCC1 ZINC000823625033 1443178129 /nfs/dbraw/zinc/17/81/29/1443178129.db2.gz OPSXDADZGUDNKF-UHFFFAOYSA-N -1 1 331.380 2.942 20 5 EFBDMM COc1cc(COc2cccc(F)c2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826179863 1443185189 /nfs/dbraw/zinc/18/51/89/1443185189.db2.gz IMXSVMXJHSLFHH-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM COc1cc(CNc2ccc(F)c(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000826179545 1443365813 /nfs/dbraw/zinc/36/58/13/1443365813.db2.gz SRFZOTHMWKDLRF-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@H]2C[C@@H]2Cc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823639875 1443487684 /nfs/dbraw/zinc/48/76/84/1443487684.db2.gz KENZQZYZVASCNW-LRDDRELGSA-N -1 1 336.355 2.818 20 5 EFBDMM COc1ccc([N+](=O)[O-])cc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821845873 1443570990 /nfs/dbraw/zinc/57/09/90/1443570990.db2.gz KQLHVUXOZFGRNW-UHFFFAOYSA-N -1 1 344.306 2.535 20 5 EFBDMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1[N+](=O)[O-] ZINC000820513188 1443596483 /nfs/dbraw/zinc/59/64/83/1443596483.db2.gz WYSZDVDUHYTFOU-MRVPVSSYSA-N -1 1 345.340 2.754 20 5 EFBDMM O=[N+]([O-])c1cc(F)cc(OCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000823634892 1443643536 /nfs/dbraw/zinc/64/35/36/1443643536.db2.gz NRQKZRNYYOXIHK-UHFFFAOYSA-N -1 1 333.254 2.632 20 5 EFBDMM CCc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000736691111 1443663199 /nfs/dbraw/zinc/66/31/99/1443663199.db2.gz OAZLISRHGZJZPG-UHFFFAOYSA-N -1 1 325.328 2.916 20 5 EFBDMM CC(C)[C@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000735750687 1443687212 /nfs/dbraw/zinc/68/72/12/1443687212.db2.gz RWFXORWHBQKWJX-WDEREUQCSA-N -1 1 331.380 2.797 20 5 EFBDMM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1csc([N+](=O)[O-])c1 ZINC000826254339 1443745021 /nfs/dbraw/zinc/74/50/21/1443745021.db2.gz GYKTZWNPLGQTMV-UHFFFAOYSA-N -1 1 345.340 2.502 20 5 EFBDMM Cc1cc(C)c([N+](=O)[O-])c(Oc2ccc(-c3nnn[n-]3)cc2C)n1 ZINC000826263939 1443831538 /nfs/dbraw/zinc/83/15/38/1443831538.db2.gz WQXBWKOFSOPDNL-UHFFFAOYSA-N -1 1 326.316 2.887 20 5 EFBDMM C[C@H]1CC(C)(C)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820648601 1446354379 /nfs/dbraw/zinc/35/43/79/1446354379.db2.gz CUJNPNYMXBMQPK-JOYOIKCWSA-N -1 1 331.380 2.797 20 5 EFBDMM COc1ccc(COc2ccc([N+](=O)[O-])c(F)c2)cc1-c1nnn[n-]1 ZINC000826207190 1446472433 /nfs/dbraw/zinc/47/24/33/1446472433.db2.gz DKGOVHHXEOTNQJ-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM C[C@@H](OC(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000820512259 1446567647 /nfs/dbraw/zinc/56/76/47/1446567647.db2.gz ILONXYWZICHHMK-SNVBAGLBSA-N -1 1 339.311 2.693 20 5 EFBDMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000820512674 1446607345 /nfs/dbraw/zinc/60/73/45/1446607345.db2.gz MWONRROVVSHQJL-MRVPVSSYSA-N -1 1 345.340 2.754 20 5 EFBDMM CC(C)C1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000820038591 1446870763 /nfs/dbraw/zinc/87/07/63/1446870763.db2.gz PSIFDYBLCLVXNZ-UHFFFAOYSA-N -1 1 331.380 2.797 20 5 EFBDMM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H]1c1ccccc1 ZINC000820776722 1446894512 /nfs/dbraw/zinc/89/45/12/1446894512.db2.gz NAQQGGUEOWYAIA-ZBEGNZNMSA-N -1 1 336.355 2.972 20 5 EFBDMM CC(C)CCC1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000820072251 1447129820 /nfs/dbraw/zinc/12/98/20/1447129820.db2.gz CVRNCYVNXZHTKH-UHFFFAOYSA-N -1 1 345.407 2.823 20 5 EFBDMM C[C@@H]1CC(C)(C)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820648602 1447256799 /nfs/dbraw/zinc/25/67/99/1447256799.db2.gz CUJNPNYMXBMQPK-SKDRFNHKSA-N -1 1 331.380 2.797 20 5 EFBDMM CC(C)(C)[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000824077423 1447264706 /nfs/dbraw/zinc/26/47/06/1447264706.db2.gz BDVZZSWGWLXJAM-YGRLFVJLSA-N -1 1 346.391 2.781 20 5 EFBDMM O=[N+]([O-])c1cnc(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c(-c2nnn[n-]2)c1 ZINC000823652195 1449139895 /nfs/dbraw/zinc/13/98/95/1449139895.db2.gz WLQPDBVTSMSIDE-GRYCIOLGSA-N -1 1 343.391 2.941 20 5 EFBDMM Cc1ccc(OCc2cc(F)ccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000822263313 1449156232 /nfs/dbraw/zinc/15/62/32/1449156232.db2.gz LSUUDXRFXMVQDC-UHFFFAOYSA-N -1 1 329.291 2.801 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000823620577 1449257530 /nfs/dbraw/zinc/25/75/30/1449257530.db2.gz MSCURGCFIGTBCY-SDDRHHMPSA-N -1 1 343.391 2.941 20 5 EFBDMM Cc1nc([C@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cs1 ZINC000737470642 1449379865 /nfs/dbraw/zinc/37/98/65/1449379865.db2.gz KAPGNHHBGWQQFK-ZETCQYMHSA-N -1 1 331.361 2.713 20 5 EFBDMM Cc1cc([N+](=O)[O-])ccc1OCc1ccc(-c2nnn[n-]2)cc1F ZINC000826272594 1449831091 /nfs/dbraw/zinc/83/10/91/1449831091.db2.gz RLHXILBJIKGLCY-UHFFFAOYSA-N -1 1 329.291 2.801 20 5 EFBDMM CCc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1C ZINC000825717449 1449976011 /nfs/dbraw/zinc/97/60/11/1449976011.db2.gz LKPHVABLDAYMSL-UHFFFAOYSA-N -1 1 325.332 2.784 20 5 EFBDMM C[C@@H](NCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824612112 1450062951 /nfs/dbraw/zinc/06/29/51/1450062951.db2.gz JDAZCUSKJGVBLE-SNVBAGLBSA-N -1 1 342.334 2.765 20 5 EFBDMM C[C@@H](NCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000824612112 1450062954 /nfs/dbraw/zinc/06/29/54/1450062954.db2.gz JDAZCUSKJGVBLE-SNVBAGLBSA-N -1 1 342.334 2.765 20 5 EFBDMM C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824619204 1450257084 /nfs/dbraw/zinc/25/70/84/1450257084.db2.gz UYJFKLKVBIVOEO-JTQLQIEISA-N -1 1 342.334 2.765 20 5 EFBDMM C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824619204 1450257090 /nfs/dbraw/zinc/25/70/90/1450257090.db2.gz UYJFKLKVBIVOEO-JTQLQIEISA-N -1 1 342.334 2.765 20 5 EFBDMM O=[N+]([O-])c1cccc(Oc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000738370968 1450306314 /nfs/dbraw/zinc/30/63/14/1450306314.db2.gz ZDIOBYWEMLGBCH-UHFFFAOYSA-N -1 1 335.283 2.510 20 5 EFBDMM CN(c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCC(C)(C)CC1 ZINC000821619200 1450381726 /nfs/dbraw/zinc/38/17/26/1450381726.db2.gz MWSILGPXKQEUTF-UHFFFAOYSA-N -1 1 331.380 2.575 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@H]2CCc3c2cccc3O)c(-c2nnn[n-]2)c1 ZINC000823639631 1450454837 /nfs/dbraw/zinc/45/48/37/1450454837.db2.gz DYXPUPZSSRZGCU-ZDUSSCGKSA-N -1 1 338.327 2.580 20 5 EFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cs1 ZINC000120087143 712912118 /nfs/dbraw/zinc/91/21/18/712912118.db2.gz PIAHAIAZKMWVAM-UHFFFAOYSA-N -1 1 338.288 2.874 20 5 EFBDMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000014256453 715267229 /nfs/dbraw/zinc/26/72/29/715267229.db2.gz CAFKYZUGQILJPA-UHFFFAOYSA-N -1 1 332.259 2.813 20 5 EFBDMM Cc1cc(C(=O)NCc2n[n-]c(=S)n2C(C)C)ccc1[N+](=O)[O-] ZINC000066650018 718291918 /nfs/dbraw/zinc/29/19/18/718291918.db2.gz OTQYRMSQMBTDOB-UHFFFAOYSA-N -1 1 335.389 2.668 20 5 EFBDMM CCOc1ccccc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119633504 719470089 /nfs/dbraw/zinc/47/00/89/719470089.db2.gz QGWCUDYYEFKBJL-UHFFFAOYSA-N -1 1 342.398 2.534 20 5 EFBDMM Cn1cc(-c2nc(C(=O)[N-]c3cc([N+](=O)[O-])ccc3F)cs2)cn1 ZINC000917612205 728768233 /nfs/dbraw/zinc/76/82/33/728768233.db2.gz WCLZVUUSYYMQLO-UHFFFAOYSA-N -1 1 347.331 2.843 20 5 EFBDMM COC(=O)c1ccc(F)c([N-]C(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000193611450 727054665 /nfs/dbraw/zinc/05/46/65/727054665.db2.gz QRELZMCUPCOJBP-UHFFFAOYSA-N -1 1 336.250 2.912 20 5 EFBDMM CCc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])s1 ZINC000194345892 727255845 /nfs/dbraw/zinc/25/58/45/727255845.db2.gz ODLPDKLYNZNSDF-UHFFFAOYSA-N -1 1 344.389 2.836 20 5 EFBDMM Cc1cc(F)cc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)c1[N+](=O)[O-] ZINC000157256971 728122337 /nfs/dbraw/zinc/12/23/37/728122337.db2.gz NRSLGKLFGJJKND-UHFFFAOYSA-N -1 1 349.709 2.991 20 5 EFBDMM CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccncc1 ZINC000173225148 728618657 /nfs/dbraw/zinc/61/86/57/728618657.db2.gz FJMURPZBJWVWIL-GFCCVEGCSA-N -1 1 339.348 2.559 20 5 EFBDMM C[C@@]1(C(=O)[O-])CCN(Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000235431718 949863929 /nfs/dbraw/zinc/86/39/29/949863929.db2.gz LKBHOBOUZMXMBC-CYBMUJFWSA-N -1 1 343.177 2.654 20 5 EFBDMM COc1cc(CN2CCC[C@@H](CCC(=O)[O-])C2)c([N+](=O)[O-])cc1F ZINC001594056227 958039649 /nfs/dbraw/zinc/03/96/49/958039649.db2.gz JOQSHTRVLORMHL-NSHDSACASA-N -1 1 340.351 2.819 20 5 EFBDMM O=C([O-])CN(Cc1cccc([N+](=O)[O-])c1Br)C1CCC1 ZINC001574716220 962723062 /nfs/dbraw/zinc/72/30/62/962723062.db2.gz MFYFPQYKOGTVME-UHFFFAOYSA-N -1 1 343.177 2.796 20 5 EFBDMM O=C([O-])C[C@@H]1CCCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000902009856 980688329 /nfs/dbraw/zinc/68/83/29/980688329.db2.gz JKTCWYOBNZAQBK-VIFPVBQESA-N -1 1 343.177 2.796 20 5 EFBDMM O=C([O-])c1ccc2c(c1)CCN(CCOc1ccccc1[N+](=O)[O-])C2 ZINC000903619148 980997196 /nfs/dbraw/zinc/99/71/96/980997196.db2.gz TUXPAAZCZHTFAN-UHFFFAOYSA-N -1 1 342.351 2.730 20 5 EFBDMM CC(C)(C)[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC001589732812 987968686 /nfs/dbraw/zinc/96/86/86/987968686.db2.gz YDTUTBSDZFKQEZ-HNNXBMFYSA-N -1 1 336.388 2.930 20 5 EFBDMM CCc1ccc(C)nc1NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001597514403 988119694 /nfs/dbraw/zinc/11/96/94/988119694.db2.gz NHTNRDVRJGYBQU-UHFFFAOYSA-N -1 1 345.355 2.936 20 5 EFBDMM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@](C)(O)c1ccccc1 ZINC001598506782 992514076 /nfs/dbraw/zinc/51/40/76/992514076.db2.gz GJISOXKXSHZBSF-SFHVURJKSA-N -1 1 344.367 2.633 20 5 EFBDMM CN(Cc1ccc(F)cc1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001598518707 992651163 /nfs/dbraw/zinc/65/11/63/992651163.db2.gz VLIHJGSZINXVLE-UHFFFAOYSA-N -1 1 348.330 2.829 20 5 EFBDMM C[C@@H](O)CN(Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593458945 995371831 /nfs/dbraw/zinc/37/18/31/995371831.db2.gz LHRHSXADWPAZMG-CYBMUJFWSA-N -1 1 344.367 2.676 20 5 EFBDMM CN(Cc1ccc2cc[nH]c2c1)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001579253690 1090562640 /nfs/dbraw/zinc/56/26/40/1090562640.db2.gz VRDSDYPHMOYYQE-UHFFFAOYSA-N -1 1 349.354 2.893 20 5 EFBDMM CN(Cc1ccc2cc[nH]c2c1)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001579253690 1090562646 /nfs/dbraw/zinc/56/26/46/1090562646.db2.gz VRDSDYPHMOYYQE-UHFFFAOYSA-N -1 1 349.354 2.893 20 5 EFBDMM COc1cccc(Sc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001580074355 1090764290 /nfs/dbraw/zinc/76/42/90/1090764290.db2.gz KHBGKRZMRSYLNG-UHFFFAOYSA-N -1 1 329.341 2.935 20 5 EFBDMM COc1cccc(Sc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001580074355 1090764294 /nfs/dbraw/zinc/76/42/94/1090764294.db2.gz KHBGKRZMRSYLNG-UHFFFAOYSA-N -1 1 329.341 2.935 20 5 EFBDMM Cc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)s2)cc1[N+](=O)[O-] ZINC001581200334 1091092024 /nfs/dbraw/zinc/09/20/24/1091092024.db2.gz IKLZNVVZUJOYOW-UHFFFAOYSA-N -1 1 345.340 2.502 20 5 EFBDMM Cc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)s2)cc1[N+](=O)[O-] ZINC001581200334 1091092029 /nfs/dbraw/zinc/09/20/29/1091092029.db2.gz IKLZNVVZUJOYOW-UHFFFAOYSA-N -1 1 345.340 2.502 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(Oc2cc(-c3nnn[n-]3)nc(C3CC3)n2)c1 ZINC001581214055 1091094902 /nfs/dbraw/zinc/09/49/02/1091094902.db2.gz YCSJMOBDZYNWSK-UHFFFAOYSA-N -1 1 339.315 2.543 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(Oc2cc(-c3nn[n-]n3)nc(C3CC3)n2)c1 ZINC001581214055 1091094907 /nfs/dbraw/zinc/09/49/07/1091094907.db2.gz YCSJMOBDZYNWSK-UHFFFAOYSA-N -1 1 339.315 2.543 20 5 EFBDMM Cc1ccc([C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)o2)cc1[N+](=O)[O-] ZINC001581213758 1091094989 /nfs/dbraw/zinc/09/49/89/1091094989.db2.gz JMRCNPVPDFXOKP-VIFPVBQESA-N -1 1 343.299 2.594 20 5 EFBDMM Cc1ccccc1CCN(C)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001581258863 1091108123 /nfs/dbraw/zinc/10/81/23/1091108123.db2.gz BNKDHJCOYWZISP-UHFFFAOYSA-N -1 1 344.400 2.824 20 5 EFBDMM Cc1ccccc1CCN(C)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001581258863 1091108127 /nfs/dbraw/zinc/10/81/27/1091108127.db2.gz BNKDHJCOYWZISP-UHFFFAOYSA-N -1 1 344.400 2.824 20 5 EFBDMM O=Cc1ccc(Oc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1F ZINC001582790791 1091664383 /nfs/dbraw/zinc/66/43/83/1091664383.db2.gz OLODWCOVMYQLDK-UHFFFAOYSA-N -1 1 347.237 2.658 20 5 EFBDMM O=[N+]([O-])c1ccc(NCc2ccc([O-])c(Cl)c2)c(-c2nn[nH]n2)c1 ZINC001582804595 1091670285 /nfs/dbraw/zinc/67/02/85/1091670285.db2.gz WGNUNJDQLHBGLK-UHFFFAOYSA-N -1 1 346.734 2.746 20 5 EFBDMM CC(=O)c1cccc(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001588919566 1093011236 /nfs/dbraw/zinc/01/12/36/1093011236.db2.gz BPFMNWRNBRTTHU-UHFFFAOYSA-N -1 1 338.327 2.590 20 5 EFBDMM CC(=O)c1cccc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001588919566 1093011245 /nfs/dbraw/zinc/01/12/45/1093011245.db2.gz BPFMNWRNBRTTHU-UHFFFAOYSA-N -1 1 338.327 2.590 20 5 EFBDMM CC(C)(C)C1=CCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001589095960 1093026844 /nfs/dbraw/zinc/02/68/44/1093026844.db2.gz JHPMTHRPJTUQCI-UHFFFAOYSA-N -1 1 343.391 2.540 20 5 EFBDMM CC(C)(C)C1=CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001589095960 1093026850 /nfs/dbraw/zinc/02/68/50/1093026850.db2.gz JHPMTHRPJTUQCI-UHFFFAOYSA-N -1 1 343.391 2.540 20 5 EFBDMM CC(C)(C)O[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001589197727 1093045672 /nfs/dbraw/zinc/04/56/72/1093045672.db2.gz KHILUNMLRJWZGE-XYPYZODXSA-N -1 1 332.364 2.533 20 5 EFBDMM CC(C)(C)O[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001589197727 1093045682 /nfs/dbraw/zinc/04/56/82/1093045682.db2.gz KHILUNMLRJWZGE-XYPYZODXSA-N -1 1 332.364 2.533 20 5 EFBDMM CC(C)(CC(F)(F)F)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589270097 1093062487 /nfs/dbraw/zinc/06/24/87/1093062487.db2.gz XMYMWZNQIQUSPU-UHFFFAOYSA-N -1 1 336.299 2.979 20 5 EFBDMM CC(C)(CC(F)(F)F)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589270097 1093062495 /nfs/dbraw/zinc/06/24/95/1093062495.db2.gz XMYMWZNQIQUSPU-UHFFFAOYSA-N -1 1 336.299 2.979 20 5 EFBDMM C[C@@H](Cc1ccccc1F)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589899691 1093172345 /nfs/dbraw/zinc/17/23/45/1093172345.db2.gz OMDWYACZXOVSDX-JTQLQIEISA-N -1 1 342.334 2.957 20 5 EFBDMM C[C@@H](Cc1ccccc1F)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001589899691 1093172349 /nfs/dbraw/zinc/17/23/49/1093172349.db2.gz OMDWYACZXOVSDX-JTQLQIEISA-N -1 1 342.334 2.957 20 5 EFBDMM C[C@@]1(C(F)(F)F)CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001590073358 1093252632 /nfs/dbraw/zinc/25/26/32/1093252632.db2.gz LECGDMMRWHGLSO-GFCCVEGCSA-N -1 1 342.281 2.554 20 5 EFBDMM C[C@@]1(C(F)(F)F)CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001590073358 1093252638 /nfs/dbraw/zinc/25/26/38/1093252638.db2.gz LECGDMMRWHGLSO-GFCCVEGCSA-N -1 1 342.281 2.554 20 5 EFBDMM CC1(C)CCC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001590093013 1093261872 /nfs/dbraw/zinc/26/18/72/1093261872.db2.gz FQVFGXUFTSNFAA-SECBINFHSA-N -1 1 331.380 2.738 20 5 EFBDMM CC1(C)CCC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001590093013 1093261878 /nfs/dbraw/zinc/26/18/78/1093261878.db2.gz FQVFGXUFTSNFAA-SECBINFHSA-N -1 1 331.380 2.738 20 5 EFBDMM CC1(C)CCC(Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001590090889 1093262774 /nfs/dbraw/zinc/26/27/74/1093262774.db2.gz UGOSASVQOQYOSL-UHFFFAOYSA-N -1 1 331.380 2.738 20 5 EFBDMM CC1(C)CCC(Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001590090889 1093262779 /nfs/dbraw/zinc/26/27/79/1093262779.db2.gz UGOSASVQOQYOSL-UHFFFAOYSA-N -1 1 331.380 2.738 20 5 EFBDMM C[C@@H]1CC(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC001590187507 1093295582 /nfs/dbraw/zinc/29/55/82/1093295582.db2.gz LWALFEVYYXZYAL-UWVGGRQHSA-N -1 1 331.380 2.654 20 5 EFBDMM C[C@@H]1CC(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC001590187507 1093295589 /nfs/dbraw/zinc/29/55/89/1093295589.db2.gz LWALFEVYYXZYAL-UWVGGRQHSA-N -1 1 331.380 2.654 20 5 EFBDMM C[C@@H]1C[C@@H](CCNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@H](C)O1 ZINC001590191211 1093300937 /nfs/dbraw/zinc/30/09/37/1093300937.db2.gz VHSXVWGUCOEBFP-ZSBIGDGJSA-N -1 1 346.391 2.781 20 5 EFBDMM C[C@@H]1C[C@@H](CCNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@H](C)O1 ZINC001590191211 1093300943 /nfs/dbraw/zinc/30/09/43/1093300943.db2.gz VHSXVWGUCOEBFP-ZSBIGDGJSA-N -1 1 346.391 2.781 20 5 EFBDMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])[C@@H]2CCCC[C@H]21 ZINC001590312551 1093370324 /nfs/dbraw/zinc/37/03/24/1093370324.db2.gz JMSXSBQFDRZCMG-KXUCPTDWSA-N -1 1 334.405 2.851 20 5 EFBDMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])[C@@H]2CCCC[C@H]21 ZINC001590312551 1093370334 /nfs/dbraw/zinc/37/03/34/1093370334.db2.gz JMSXSBQFDRZCMG-KXUCPTDWSA-N -1 1 334.405 2.851 20 5 EFBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@H](C)C1(F)F ZINC001590315971 1093373065 /nfs/dbraw/zinc/37/30/65/1093373065.db2.gz OMAOYQFQPCGLSO-DTORHVGOSA-N -1 1 338.318 2.502 20 5 EFBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@H](C)C1(F)F ZINC001590315971 1093373074 /nfs/dbraw/zinc/37/30/74/1093373074.db2.gz OMAOYQFQPCGLSO-DTORHVGOSA-N -1 1 338.318 2.502 20 5 EFBDMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC001590315580 1093373833 /nfs/dbraw/zinc/37/38/33/1093373833.db2.gz XMFKRDYOKMGHGI-BDJLRTHQSA-N -1 1 336.355 2.972 20 5 EFBDMM C/C=C/CNc1cc(NC/C=C/C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590352943 1093386437 /nfs/dbraw/zinc/38/64/37/1093386437.db2.gz DPDVVSHJSKCOAX-GGWOSOGESA-N -1 1 329.364 2.751 20 5 EFBDMM C/C=C/CNc1cc(NC/C=C/C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590352943 1093386445 /nfs/dbraw/zinc/38/64/45/1093386445.db2.gz DPDVVSHJSKCOAX-GGWOSOGESA-N -1 1 329.364 2.751 20 5 EFBDMM CC[C@H](C)CON=c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001590409662 1093409703 /nfs/dbraw/zinc/40/97/03/1093409703.db2.gz IVPWRLZVPROMET-VIFPVBQESA-N -1 1 343.347 2.713 20 5 EFBDMM CCC1(CNc2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCOCC1 ZINC001590496652 1093457250 /nfs/dbraw/zinc/45/72/50/1093457250.db2.gz UGGBWQMDEZEXKD-UHFFFAOYSA-N -1 1 346.391 2.702 20 5 EFBDMM CCC1(CNc2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCOCC1 ZINC001590496652 1093457254 /nfs/dbraw/zinc/45/72/54/1093457254.db2.gz UGGBWQMDEZEXKD-UHFFFAOYSA-N -1 1 346.391 2.702 20 5 EFBDMM CC[C@@H]1CCCC[C@H]1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590513199 1093470069 /nfs/dbraw/zinc/47/00/69/1093470069.db2.gz UTLNKHYAIPHFHX-MNOVXSKESA-N -1 1 331.380 2.798 20 5 EFBDMM CC[C@@H]1CCCC[C@H]1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590513199 1093470074 /nfs/dbraw/zinc/47/00/74/1093470074.db2.gz UTLNKHYAIPHFHX-MNOVXSKESA-N -1 1 331.380 2.798 20 5 EFBDMM CO[C@@H](CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC001591329342 1093694227 /nfs/dbraw/zinc/69/42/27/1093694227.db2.gz PGYHMAZUMYCYGB-HNNXBMFYSA-N -1 1 346.391 2.782 20 5 EFBDMM COC[C@@H](CC(C)(C)C)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591375997 1093708020 /nfs/dbraw/zinc/70/80/20/1093708020.db2.gz OMWBSCVWCBEUJQ-LLVKDONJSA-N -1 1 334.380 2.638 20 5 EFBDMM COC[C@@H](CC(C)(C)C)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591375997 1093708023 /nfs/dbraw/zinc/70/80/23/1093708023.db2.gz OMWBSCVWCBEUJQ-LLVKDONJSA-N -1 1 334.380 2.638 20 5 EFBDMM COCc1csc(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001591459153 1093727793 /nfs/dbraw/zinc/72/77/93/1093727793.db2.gz JOOLUNZDSGDYBV-UHFFFAOYSA-N -1 1 346.372 2.595 20 5 EFBDMM COCc1csc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001591459153 1093727798 /nfs/dbraw/zinc/72/77/98/1093727798.db2.gz JOOLUNZDSGDYBV-UHFFFAOYSA-N -1 1 346.372 2.595 20 5 EFBDMM COc1cccc(Sc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])c1 ZINC001591642477 1093813951 /nfs/dbraw/zinc/81/39/51/1093813951.db2.gz VZXKDUXOYHFOCV-UHFFFAOYSA-N -1 1 335.370 2.996 20 5 EFBDMM COc1cccc(Sc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])c1 ZINC001591642477 1093813957 /nfs/dbraw/zinc/81/39/57/1093813957.db2.gz VZXKDUXOYHFOCV-UHFFFAOYSA-N -1 1 335.370 2.996 20 5 EFBDMM CS[C@H]1CC[C@@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001591691187 1093826733 /nfs/dbraw/zinc/82/67/33/1093826733.db2.gz WOUWADNISRIDQP-RQJHMYQMSA-N -1 1 326.407 2.532 20 5 EFBDMM CS[C@H]1CC[C@@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001591691187 1093826736 /nfs/dbraw/zinc/82/67/36/1093826736.db2.gz WOUWADNISRIDQP-RQJHMYQMSA-N -1 1 326.407 2.532 20 5 EFBDMM CSCC1CCN(c2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001591698041 1093830707 /nfs/dbraw/zinc/83/07/07/1093830707.db2.gz HGNKTAUJNQXBAH-UHFFFAOYSA-N -1 1 348.432 2.663 20 5 EFBDMM CSCC1CCN(c2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001591698041 1093830708 /nfs/dbraw/zinc/83/07/08/1093830708.db2.gz HGNKTAUJNQXBAH-UHFFFAOYSA-N -1 1 348.432 2.663 20 5 EFBDMM Cc1cc(N(C)C)ccc1Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591995282 1093950020 /nfs/dbraw/zinc/95/00/20/1093950020.db2.gz MMLNUZGIDGRFHN-UHFFFAOYSA-N -1 1 339.359 2.893 20 5 EFBDMM Cc1cc(N(C)C)ccc1Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591995282 1093950024 /nfs/dbraw/zinc/95/00/24/1093950024.db2.gz MMLNUZGIDGRFHN-UHFFFAOYSA-N -1 1 339.359 2.893 20 5 EFBDMM Cc1cc(N(C)C)ccc1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591995342 1093950327 /nfs/dbraw/zinc/95/03/27/1093950327.db2.gz OENAQMZKSDNBSR-UHFFFAOYSA-N -1 1 345.388 2.954 20 5 EFBDMM Cc1cc(N(C)C)ccc1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591995342 1093950330 /nfs/dbraw/zinc/95/03/30/1093950330.db2.gz OENAQMZKSDNBSR-UHFFFAOYSA-N -1 1 345.388 2.954 20 5 EFBDMM Cc1cc(N2CCCc3occc3C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592006232 1093952646 /nfs/dbraw/zinc/95/26/46/1093952646.db2.gz FZGICMUOEPCUMY-UHFFFAOYSA-N -1 1 340.343 2.629 20 5 EFBDMM Cc1cc(N2CCCc3occc3C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592006232 1093952648 /nfs/dbraw/zinc/95/26/48/1093952648.db2.gz FZGICMUOEPCUMY-UHFFFAOYSA-N -1 1 340.343 2.629 20 5 EFBDMM Cc1cc(N[C@H]2CCOC3(CCC3)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592041130 1093964192 /nfs/dbraw/zinc/96/41/92/1093964192.db2.gz YZKPESUUWKNQCX-NSHDSACASA-N -1 1 344.375 2.597 20 5 EFBDMM Cc1cc(N[C@H]2CCOC3(CCC3)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592041130 1093964194 /nfs/dbraw/zinc/96/41/94/1093964194.db2.gz YZKPESUUWKNQCX-NSHDSACASA-N -1 1 344.375 2.597 20 5 EFBDMM Cc1cnc(Sc2cccc(F)c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001592294369 1094068194 /nfs/dbraw/zinc/06/81/94/1094068194.db2.gz CFMXFERZACDERY-UHFFFAOYSA-N -1 1 332.320 2.769 20 5 EFBDMM Cc1cnc(CCNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])c(C)c1 ZINC001592292905 1094068792 /nfs/dbraw/zinc/06/87/92/1094068792.db2.gz ROHJKGDRDXFPOH-UHFFFAOYSA-N -1 1 345.388 2.503 20 5 EFBDMM Cc1cnc(CCNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])c(C)c1 ZINC001592292905 1094068797 /nfs/dbraw/zinc/06/87/97/1094068797.db2.gz ROHJKGDRDXFPOH-UHFFFAOYSA-N -1 1 345.388 2.503 20 5 EFBDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001592502680 1094115425 /nfs/dbraw/zinc/11/54/25/1094115425.db2.gz VJUGQEHWTAKAQZ-QMMMGPOBSA-N -1 1 343.299 2.594 20 5 EFBDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001592502680 1094115429 /nfs/dbraw/zinc/11/54/29/1094115429.db2.gz VJUGQEHWTAKAQZ-QMMMGPOBSA-N -1 1 343.299 2.594 20 5 EFBDMM O=Cc1ccc(Oc2cccc(F)c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001593415890 1094305651 /nfs/dbraw/zinc/30/56/51/1094305651.db2.gz IFKSOBIUKKZXFK-UHFFFAOYSA-N -1 1 329.247 2.519 20 5 EFBDMM O=Cc1ccc(Oc2cccc(F)c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001593415890 1094305661 /nfs/dbraw/zinc/30/56/61/1094305661.db2.gz IFKSOBIUKKZXFK-UHFFFAOYSA-N -1 1 329.247 2.519 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC(C2CCCCC2)C1 ZINC001593466549 1094308718 /nfs/dbraw/zinc/30/87/18/1094308718.db2.gz JKDIYRMXUHYCNR-UHFFFAOYSA-N -1 1 328.376 2.791 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC(C2CCCCC2)C1 ZINC001593466549 1094308726 /nfs/dbraw/zinc/30/87/26/1094308726.db2.gz JKDIYRMXUHYCNR-UHFFFAOYSA-N -1 1 328.376 2.791 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC(C2CCC2)CC1 ZINC001593466874 1094308891 /nfs/dbraw/zinc/30/88/91/1094308891.db2.gz NGUDMKKCIAGTOA-UHFFFAOYSA-N -1 1 328.376 2.791 20 5 EFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC(C2CCC2)CC1 ZINC001593466874 1094308898 /nfs/dbraw/zinc/30/88/98/1094308898.db2.gz NGUDMKKCIAGTOA-UHFFFAOYSA-N -1 1 328.376 2.791 20 5 EFBDMM O=[N+]([O-])c1c(N[C@@H]2C[C@H]2c2ccccc2F)cccc1-c1nnn[n-]1 ZINC001593468296 1094311442 /nfs/dbraw/zinc/31/14/42/1094311442.db2.gz CLOVUUZJEJHZCX-SMDDNHRTSA-N -1 1 340.318 2.882 20 5 EFBDMM O=[N+]([O-])c1c(N[C@@H]2C[C@H]2c2ccccc2F)cccc1-c1nn[n-]n1 ZINC001593468296 1094311445 /nfs/dbraw/zinc/31/14/45/1094311445.db2.gz CLOVUUZJEJHZCX-SMDDNHRTSA-N -1 1 340.318 2.882 20 5 EFBDMM O=[N+]([O-])c1cc(N2CCCC[C@@H]2C2CCC2)ccc1-c1nn[n-]n1 ZINC001593471562 1094315547 /nfs/dbraw/zinc/31/55/47/1094315547.db2.gz NEOWVCMWWBFTQM-CQSZACIVSA-N -1 1 328.376 2.934 20 5 EFBDMM O=[N+]([O-])c1cc(N2CCS[C@@H]3CCCC[C@H]32)ccc1-c1nn[n-]n1 ZINC001593470603 1094316191 /nfs/dbraw/zinc/31/61/91/1094316191.db2.gz GDYBVRLGHRNVOW-TZMCWYRMSA-N -1 1 346.416 2.639 20 5 EFBDMM O=[N+]([O-])c1cc(NCCc2cc(F)cc(F)c2)ccc1-c1nn[n-]n1 ZINC001593473709 1094317343 /nfs/dbraw/zinc/31/73/43/1094317343.db2.gz JXSKULHVXJEAEK-UHFFFAOYSA-N -1 1 346.297 2.708 20 5 EFBDMM O=[N+]([O-])c1cc(NCCc2cccc(F)c2F)ccc1-c1nn[n-]n1 ZINC001593474040 1094317841 /nfs/dbraw/zinc/31/78/41/1094317841.db2.gz OHGFDMPKWKLCMH-UHFFFAOYSA-N -1 1 346.297 2.708 20 5 EFBDMM O=[N+]([O-])c1ccc(COc2cccc(F)c2-c2nnn[n-]2)cc1F ZINC001593474923 1094319908 /nfs/dbraw/zinc/31/99/08/1094319908.db2.gz CXMBVZFKSPVYJX-UHFFFAOYSA-N -1 1 333.254 2.632 20 5 EFBDMM O=[N+]([O-])c1ccc(COc2cccc(F)c2-c2nn[n-]n2)cc1F ZINC001593474923 1094319919 /nfs/dbraw/zinc/31/99/19/1094319919.db2.gz CXMBVZFKSPVYJX-UHFFFAOYSA-N -1 1 333.254 2.632 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCc2c(F)cccc2F)cc1-c1nnn[n-]1 ZINC001593478310 1094322451 /nfs/dbraw/zinc/32/24/51/1094322451.db2.gz BIMWQEARQNJPQM-UHFFFAOYSA-N -1 1 346.297 2.708 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCc2c(F)cccc2F)cc1-c1nn[n-]n1 ZINC001593478310 1094322456 /nfs/dbraw/zinc/32/24/56/1094322456.db2.gz BIMWQEARQNJPQM-UHFFFAOYSA-N -1 1 346.297 2.708 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H](C2CC2)[C@H]2CCCCO2)cc1-c1nnn[n-]1 ZINC001593478981 1094322948 /nfs/dbraw/zinc/32/29/48/1094322948.db2.gz OHTZVIAIDLLAAC-CABCVRRESA-N -1 1 344.375 2.535 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H](C2CC2)[C@H]2CCCCO2)cc1-c1nn[n-]n1 ZINC001593478981 1094322955 /nfs/dbraw/zinc/32/29/55/1094322955.db2.gz OHTZVIAIDLLAAC-CABCVRRESA-N -1 1 344.375 2.535 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCC[C@H]2CCCC[C@H]2O)cc1-c1nnn[n-]1 ZINC001593478216 1094324463 /nfs/dbraw/zinc/32/44/63/1094324463.db2.gz RJGKPZSKZTWTHE-IAQYHMDHSA-N -1 1 346.391 2.518 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCC[C@H]2CCCC[C@H]2O)cc1-c1nn[n-]n1 ZINC001593478216 1094324472 /nfs/dbraw/zinc/32/44/72/1094324472.db2.gz RJGKPZSKZTWTHE-IAQYHMDHSA-N -1 1 346.391 2.518 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H](c2ccccn2)C2CC2)cc1-c1nnn[n-]1 ZINC001593478140 1094324567 /nfs/dbraw/zinc/32/45/67/1094324567.db2.gz BVEIFKWTCMPEPU-OAHLLOKOSA-N -1 1 337.343 2.733 20 5 EFBDMM O=[N+]([O-])c1ccc(N[C@@H](c2ccccn2)C2CC2)cc1-c1nn[n-]n1 ZINC001593478140 1094324577 /nfs/dbraw/zinc/32/45/77/1094324577.db2.gz BVEIFKWTCMPEPU-OAHLLOKOSA-N -1 1 337.343 2.733 20 5 EFBDMM O=[N+]([O-])c1ccc(NC[C@H]2CCCC3(CCC3)O2)cc1-c1nnn[n-]1 ZINC001593478863 1094324711 /nfs/dbraw/zinc/32/47/11/1094324711.db2.gz ZIDVRPDRWPTMKT-GFCCVEGCSA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1ccc(NC[C@H]2CCCC3(CCC3)O2)cc1-c1nn[n-]n1 ZINC001593478863 1094324722 /nfs/dbraw/zinc/32/47/22/1094324722.db2.gz ZIDVRPDRWPTMKT-GFCCVEGCSA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CCCC3(CCCC3)C2)cc1-c1nnn[n-]1 ZINC001593478121 1094324738 /nfs/dbraw/zinc/32/47/38/1094324738.db2.gz BQCLUEXXQPRKLQ-UHFFFAOYSA-N -1 1 328.376 2.936 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CCCC3(CCCC3)C2)cc1-c1nn[n-]n1 ZINC001593478121 1094324746 /nfs/dbraw/zinc/32/47/46/1094324746.db2.gz BQCLUEXXQPRKLQ-UHFFFAOYSA-N -1 1 328.376 2.936 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCCc1ccccc1F ZINC001593488946 1094328788 /nfs/dbraw/zinc/32/87/88/1094328788.db2.gz PLDNYZKNTOUGIN-UHFFFAOYSA-N -1 1 334.336 2.630 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCCc1ccccc1F ZINC001593488946 1094328793 /nfs/dbraw/zinc/32/87/93/1094328793.db2.gz PLDNYZKNTOUGIN-UHFFFAOYSA-N -1 1 334.336 2.630 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@@H](c1ccccn1)C1CC1 ZINC001593487853 1094328910 /nfs/dbraw/zinc/32/89/10/1094328910.db2.gz NEFUDSNNVGCPBC-GFCCVEGCSA-N -1 1 343.372 2.795 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@@H](c1ccccn1)C1CC1 ZINC001593487853 1094328916 /nfs/dbraw/zinc/32/89/16/1094328916.db2.gz NEFUDSNNVGCPBC-GFCCVEGCSA-N -1 1 343.372 2.795 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC[C@H]1c1cccc(F)c1 ZINC001593488343 1094329914 /nfs/dbraw/zinc/32/99/14/1094329914.db2.gz VLXQENCKTJRSNW-JTQLQIEISA-N -1 1 346.347 2.927 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC[C@H]1c1cccc(F)c1 ZINC001593488343 1094329926 /nfs/dbraw/zinc/32/99/26/1094329926.db2.gz VLXQENCKTJRSNW-JTQLQIEISA-N -1 1 346.347 2.927 20 5 EFBDMM Cc1c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc(F)c1C(=O)[O-] ZINC001600045955 1094740381 /nfs/dbraw/zinc/74/03/81/1094740381.db2.gz AHGUSQAHFWFPLW-UHFFFAOYSA-N -1 1 334.259 2.698 20 5 EFBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2nc3cccc(C)c3[nH]2)n1 ZINC001600105719 1094774432 /nfs/dbraw/zinc/77/44/32/1094774432.db2.gz JIPKRBWABJYITQ-UHFFFAOYSA-N -1 1 341.327 2.793 20 5 EFBDMM Cc1cc([N+](=O)[O-])ccc1CN(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001600304798 1094956674 /nfs/dbraw/zinc/95/66/74/1094956674.db2.gz MLNBTVQCRHGITM-UHFFFAOYSA-N -1 1 344.367 2.999 20 5 EFBDMM O=C([O-])[C@@H]1[C@@H](CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1(F)F ZINC001601748748 1095887115 /nfs/dbraw/zinc/88/71/15/1095887115.db2.gz IRKMODAWGGEQJG-OLZOCXBDSA-N -1 1 326.299 2.525 20 5 EFBDMM O=C([O-])c1ccc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[nH]1 ZINC001602347973 1096195028 /nfs/dbraw/zinc/19/50/28/1096195028.db2.gz JIOOOJQNSXINAI-UHFFFAOYSA-N -1 1 343.261 2.930 20 5 EFBDMM O=C([O-])c1ccc2c(c1)CCN(Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC001602417918 1096232767 /nfs/dbraw/zinc/23/27/67/1096232767.db2.gz GBDAQKZWXSPDMU-UHFFFAOYSA-N -1 1 328.324 2.557 20 5 EFBDMM CC(C)(CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])C(F)(F)F ZINC001603150694 1096460871 /nfs/dbraw/zinc/46/08/71/1096460871.db2.gz LRXZDBWEMMTSAU-UHFFFAOYSA-N -1 1 336.299 2.837 20 5 EFBDMM CC(C)(CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])C(F)(F)F ZINC001603150694 1096460876 /nfs/dbraw/zinc/46/08/76/1096460876.db2.gz LRXZDBWEMMTSAU-UHFFFAOYSA-N -1 1 336.299 2.837 20 5 EFBDMM CC(C)[C@@H]1N(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC12CC=CC2 ZINC001603254599 1096487007 /nfs/dbraw/zinc/48/70/07/1096487007.db2.gz XZZSQXDJNBVTHL-HNNXBMFYSA-N -1 1 340.387 2.956 20 5 EFBDMM C[C@@H](Cc1ccsc1)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603590326 1096563556 /nfs/dbraw/zinc/56/35/56/1096563556.db2.gz YYOWOKZOBAPZCN-VIFPVBQESA-N -1 1 330.373 2.880 20 5 EFBDMM C[C@@]1(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCCS1 ZINC001603807577 1096634542 /nfs/dbraw/zinc/63/45/42/1096634542.db2.gz RRBMDXWMCGIQDV-NSHDSACASA-N -1 1 326.407 2.534 20 5 EFBDMM C[C@@]1(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCCS1 ZINC001603807577 1096634544 /nfs/dbraw/zinc/63/45/44/1096634544.db2.gz RRBMDXWMCGIQDV-NSHDSACASA-N -1 1 326.407 2.534 20 5 EFBDMM C[C@@H]1C[C@H]2CCCC[C@H]2N1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603870856 1096650853 /nfs/dbraw/zinc/65/08/53/1096650853.db2.gz HISNWEMUCFYTJP-JTNHKYCSSA-N -1 1 328.376 2.932 20 5 EFBDMM C[C@@H]1c2ccccc2CCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603957554 1096682375 /nfs/dbraw/zinc/68/23/75/1096682375.db2.gz WITGGDCDWNSIRW-LLVKDONJSA-N -1 1 336.355 2.899 20 5 EFBDMM CCC1(CC)CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCS1 ZINC001604083930 1096723918 /nfs/dbraw/zinc/72/39/18/1096723918.db2.gz CPTBFQZORPXTIW-UHFFFAOYSA-N -1 1 348.432 2.887 20 5 EFBDMM C[C@@](CC(=O)[O-])(NCc1ccc([N+](=O)[O-])c(F)c1)c1cccnc1 ZINC001604089409 1096729090 /nfs/dbraw/zinc/72/90/90/1096729090.db2.gz GEONMWPCVRKGFZ-INIZCTEOSA-N -1 1 333.319 2.609 20 5 EFBDMM CCCN(C[C@@H]1CCCCO1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001604204860 1096773135 /nfs/dbraw/zinc/77/31/35/1096773135.db2.gz HYLVIKWYAARAOG-ZDUSSCGKSA-N -1 1 346.391 2.560 20 5 EFBDMM CCOc1ccc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cc1 ZINC001604460341 1096867051 /nfs/dbraw/zinc/86/70/51/1096867051.db2.gz RMYGDEZJKYUFKY-UHFFFAOYSA-N -1 1 340.343 2.786 20 5 EFBDMM CCOc1ccc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cc1 ZINC001604460341 1096867053 /nfs/dbraw/zinc/86/70/53/1096867053.db2.gz RMYGDEZJKYUFKY-UHFFFAOYSA-N -1 1 340.343 2.786 20 5 EFBDMM CCSCC[C@H](C)N(C)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001604481648 1096874620 /nfs/dbraw/zinc/87/46/20/1096874620.db2.gz LZBHFHVDYQLZHZ-QMMMGPOBSA-N -1 1 342.450 2.804 20 5 EFBDMM CCSCC[C@H](C)N(C)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001604481648 1096874632 /nfs/dbraw/zinc/87/46/32/1096874632.db2.gz LZBHFHVDYQLZHZ-QMMMGPOBSA-N -1 1 342.450 2.804 20 5 EFBDMM CCc1nc(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])sc1C ZINC001604570536 1096905439 /nfs/dbraw/zinc/90/54/39/1096905439.db2.gz HORPWKZAYRTQAH-UHFFFAOYSA-N -1 1 349.401 2.648 20 5 EFBDMM CCc1nc(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])sc1C ZINC001604570536 1096905443 /nfs/dbraw/zinc/90/54/43/1096905443.db2.gz HORPWKZAYRTQAH-UHFFFAOYSA-N -1 1 349.401 2.648 20 5 EFBDMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001604652969 1096924184 /nfs/dbraw/zinc/92/41/84/1096924184.db2.gz STXVSTYBDVBGSD-PEGIJTEDSA-N -1 1 337.332 2.577 20 5 EFBDMM CN(CCCc1ccccc1)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001604756233 1096949827 /nfs/dbraw/zinc/94/98/27/1096949827.db2.gz QIAFNSNHLPMQEX-UHFFFAOYSA-N -1 1 338.371 2.844 20 5 EFBDMM CN(CCCc1ccccc1)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001604756233 1096949834 /nfs/dbraw/zinc/94/98/34/1096949834.db2.gz QIAFNSNHLPMQEX-UHFFFAOYSA-N -1 1 338.371 2.844 20 5 EFBDMM CN(Cc1cc(F)cc(F)c1)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001604800513 1096958874 /nfs/dbraw/zinc/95/88/74/1096958874.db2.gz HQIIUMAOSRXEIU-UHFFFAOYSA-N -1 1 346.297 2.690 20 5 EFBDMM CN(Cc1cc(F)cc(F)c1)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001604800513 1096958879 /nfs/dbraw/zinc/95/88/79/1096958879.db2.gz HQIIUMAOSRXEIU-UHFFFAOYSA-N -1 1 346.297 2.690 20 5 EFBDMM CO[C@@H](CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001605007405 1096997906 /nfs/dbraw/zinc/99/79/06/1096997906.db2.gz AIAZPRQEUYHEFC-LBPRGKRZSA-N -1 1 334.380 2.556 20 5 EFBDMM CO[C@@H](CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001605007405 1096997909 /nfs/dbraw/zinc/99/79/09/1096997909.db2.gz AIAZPRQEUYHEFC-LBPRGKRZSA-N -1 1 334.380 2.556 20 5 EFBDMM CS[C@@H]1CC[C@@H](N(C)c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001605372926 1097108023 /nfs/dbraw/zinc/10/80/23/1097108023.db2.gz VRINLXFRHPXCMY-HTQZYQBOSA-N -1 1 340.434 2.557 20 5 EFBDMM CS[C@@H]1CC[C@@H](N(C)c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001605372926 1097108026 /nfs/dbraw/zinc/10/80/26/1097108026.db2.gz VRINLXFRHPXCMY-HTQZYQBOSA-N -1 1 340.434 2.557 20 5 EFBDMM C[C@@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1cccc(O)c1 ZINC001605405134 1097119685 /nfs/dbraw/zinc/11/96/85/1097119685.db2.gz LULQLWBDUQXZED-SSDOTTSWSA-N -1 1 332.345 2.715 20 5 EFBDMM C[C@@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1cccc(O)c1 ZINC001605405134 1097119689 /nfs/dbraw/zinc/11/96/89/1097119689.db2.gz LULQLWBDUQXZED-SSDOTTSWSA-N -1 1 332.345 2.715 20 5 EFBDMM Cc1cc(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc(C)c1O ZINC001605661597 1097183279 /nfs/dbraw/zinc/18/32/79/1097183279.db2.gz BPEYRISPNOAEJV-UHFFFAOYSA-N -1 1 340.343 2.709 20 5 EFBDMM Cc1cc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc(C)c1O ZINC001605661597 1097183282 /nfs/dbraw/zinc/18/32/82/1097183282.db2.gz BPEYRISPNOAEJV-UHFFFAOYSA-N -1 1 340.343 2.709 20 5 EFBDMM CCOc1cc(CN[C@H](C(=O)[O-])c2cccc(O)c2)ccc1[N+](=O)[O-] ZINC001605670723 1097188223 /nfs/dbraw/zinc/18/82/23/1097188223.db2.gz ARTBCLCIKQLQMP-INIZCTEOSA-N -1 1 346.339 2.615 20 5 EFBDMM Cc1cccc(OCCNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])c1 ZINC001605923333 1097276401 /nfs/dbraw/zinc/27/64/01/1097276401.db2.gz BVFRJARDFJGCRG-UHFFFAOYSA-N -1 1 346.372 2.636 20 5 EFBDMM Cc1cccc(OCCNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])c1 ZINC001605923333 1097276409 /nfs/dbraw/zinc/27/64/09/1097276409.db2.gz BVFRJARDFJGCRG-UHFFFAOYSA-N -1 1 346.372 2.636 20 5 EFBDMM Cc1cccc2cc(Oc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cnc12 ZINC001605928836 1097278199 /nfs/dbraw/zinc/27/81/99/1097278199.db2.gz BTIXDERFBIHCMQ-UHFFFAOYSA-N -1 1 349.310 2.819 20 5 EFBDMM Cc1cccc2cc(Oc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cnc12 ZINC001605928836 1097278203 /nfs/dbraw/zinc/27/82/03/1097278203.db2.gz BTIXDERFBIHCMQ-UHFFFAOYSA-N -1 1 349.310 2.819 20 5 EFBDMM O=[N+]([O-])c1c(N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)cccc1-c1nnn[n-]1 ZINC001607078295 1097506226 /nfs/dbraw/zinc/50/62/26/1097506226.db2.gz TXCNZGIMQUNOFF-APHBMKBZSA-N -1 1 348.366 2.915 20 5 EFBDMM O=[N+]([O-])c1c(N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)cccc1-c1nn[n-]n1 ZINC001607078295 1097506229 /nfs/dbraw/zinc/50/62/29/1097506229.db2.gz TXCNZGIMQUNOFF-APHBMKBZSA-N -1 1 348.366 2.915 20 5 EFBDMM O=[N+]([O-])c1c(NC[C@@H]2CCC3(CCCC3)O2)cccc1-c1nnn[n-]1 ZINC001607078252 1097507001 /nfs/dbraw/zinc/50/70/01/1097507001.db2.gz QJDMZPARWSPUMH-NSHDSACASA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1c(NC[C@@H]2CCC3(CCCC3)O2)cccc1-c1nn[n-]n1 ZINC001607078252 1097507006 /nfs/dbraw/zinc/50/70/06/1097507006.db2.gz QJDMZPARWSPUMH-NSHDSACASA-N -1 1 344.375 2.679 20 5 EFBDMM O=[N+]([O-])c1cn(Cc2ccc(C3CCCC3)cc2)nc1-c1nn[n-]n1 ZINC001607086626 1097510443 /nfs/dbraw/zinc/51/04/43/1097510443.db2.gz RIEDZDQUQJCSDZ-UHFFFAOYSA-N -1 1 339.359 2.677 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@@H]1CCc2c1cccc2O ZINC001607088258 1097511415 /nfs/dbraw/zinc/51/14/15/1097511415.db2.gz KBTWMFCLZDRTKE-SECBINFHSA-N -1 1 344.356 2.641 20 5 EFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@@H]1CCc2c1cccc2O ZINC001607088258 1097511421 /nfs/dbraw/zinc/51/14/21/1097511421.db2.gz KBTWMFCLZDRTKE-SECBINFHSA-N -1 1 344.356 2.641 20 5 EFBDMM C[C@H](NCC(=O)Nc1ccsc1C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001607460791 1097632829 /nfs/dbraw/zinc/63/28/29/1097632829.db2.gz LYQWZTVDABZKIL-VIFPVBQESA-N -1 1 349.368 2.644 20 5 EFBDMM CC(C)(CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)C1CCC1 ZINC001609084162 1098137042 /nfs/dbraw/zinc/13/70/42/1098137042.db2.gz LHRVOUKTKWXKPR-UHFFFAOYSA-N -1 1 331.380 2.595 20 5 EFBDMM CC(C)(CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)C1CCC1 ZINC001609084162 1098137043 /nfs/dbraw/zinc/13/70/43/1098137043.db2.gz LHRVOUKTKWXKPR-UHFFFAOYSA-N -1 1 331.380 2.595 20 5 EFBDMM CC(C)[C@@H]1N(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC12CCC2 ZINC001609092367 1098139945 /nfs/dbraw/zinc/13/99/45/1098139945.db2.gz HITJFOZDSSFJAG-AWEZNQCLSA-N -1 1 328.376 2.790 20 5 EFBDMM C[C@@H](CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])CC(F)(F)F ZINC001609113714 1098151626 /nfs/dbraw/zinc/15/16/26/1098151626.db2.gz DIIOKPJCOVQWRR-SSDOTTSWSA-N -1 1 330.270 2.775 20 5 EFBDMM C[C@@H](CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])CC(F)(F)F ZINC001609113714 1098151632 /nfs/dbraw/zinc/15/16/32/1098151632.db2.gz DIIOKPJCOVQWRR-SSDOTTSWSA-N -1 1 330.270 2.775 20 5 EFBDMM C[C@@H](Cc1ccsc1)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609115645 1098153735 /nfs/dbraw/zinc/15/37/35/1098153735.db2.gz FGIDRWKFHWGAOE-VIFPVBQESA-N -1 1 330.373 2.880 20 5 EFBDMM C[C@@H](Cc1ccsc1)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609115645 1098153740 /nfs/dbraw/zinc/15/37/40/1098153740.db2.gz FGIDRWKFHWGAOE-VIFPVBQESA-N -1 1 330.373 2.880 20 5 EFBDMM C[C@H](Cc1ccsc1)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609115644 1098154087 /nfs/dbraw/zinc/15/40/87/1098154087.db2.gz FGIDRWKFHWGAOE-SECBINFHSA-N -1 1 330.373 2.880 20 5 EFBDMM C[C@H](Cc1ccsc1)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609115644 1098154091 /nfs/dbraw/zinc/15/40/91/1098154091.db2.gz FGIDRWKFHWGAOE-SECBINFHSA-N -1 1 330.373 2.880 20 5 EFBDMM C[C@](O)(CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001609127730 1098159786 /nfs/dbraw/zinc/15/97/86/1098159786.db2.gz UIVPUVDSOMKKSQ-INIZCTEOSA-N -1 1 346.391 2.518 20 5 EFBDMM C[C@](O)(CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC001609127730 1098159788 /nfs/dbraw/zinc/15/97/88/1098159788.db2.gz UIVPUVDSOMKKSQ-INIZCTEOSA-N -1 1 346.391 2.518 20 5 EFBDMM C[C@]1(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1(Cl)Cl ZINC001609149220 1098170436 /nfs/dbraw/zinc/17/04/36/1098170436.db2.gz FEINAZFDWHXSIQ-LLVKDONJSA-N -1 1 343.174 2.771 20 5 EFBDMM C[C@]1(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1(Cl)Cl ZINC001609149220 1098170438 /nfs/dbraw/zinc/17/04/38/1098170438.db2.gz FEINAZFDWHXSIQ-LLVKDONJSA-N -1 1 343.174 2.771 20 5 EFBDMM C[C@H]1CCC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001609164565 1098177965 /nfs/dbraw/zinc/17/79/65/1098177965.db2.gz TXVQEGSMOMHSBW-VHSXEESVSA-N -1 1 331.380 2.738 20 5 EFBDMM C[C@H]1CCC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001609164565 1098177968 /nfs/dbraw/zinc/17/79/68/1098177968.db2.gz TXVQEGSMOMHSBW-VHSXEESVSA-N -1 1 331.380 2.738 20 5 EFBDMM C[C@H]1CCCC[C@@H]1OCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609165863 1098179367 /nfs/dbraw/zinc/17/93/67/1098179367.db2.gz ZEMNMQLUWRBJJO-NHYWBVRUSA-N -1 1 346.391 2.782 20 5 EFBDMM C[C@H]1CCCC[C@@H]1OCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609165863 1098179374 /nfs/dbraw/zinc/17/93/74/1098179374.db2.gz ZEMNMQLUWRBJJO-NHYWBVRUSA-N -1 1 346.391 2.782 20 5 EFBDMM CCN(CCc1cccs1)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609224894 1098212235 /nfs/dbraw/zinc/21/22/35/1098212235.db2.gz GPAHLECWINWWFW-UHFFFAOYSA-N -1 1 344.400 2.905 20 5 EFBDMM CCN(CCc1cccs1)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609224894 1098212239 /nfs/dbraw/zinc/21/22/39/1098212239.db2.gz GPAHLECWINWWFW-UHFFFAOYSA-N -1 1 344.400 2.905 20 5 EFBDMM COC1CCC(CCNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC001609313717 1098245534 /nfs/dbraw/zinc/24/55/34/1098245534.db2.gz QPSKBHXBLHFUCJ-UHFFFAOYSA-N -1 1 346.391 2.782 20 5 EFBDMM CS[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001609370221 1098269455 /nfs/dbraw/zinc/26/94/55/1098269455.db2.gz YGZMWVDSASGUFS-MWLCHTKSSA-N -1 1 334.405 2.861 20 5 EFBDMM CS[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001609370221 1098269459 /nfs/dbraw/zinc/26/94/59/1098269459.db2.gz YGZMWVDSASGUFS-MWLCHTKSSA-N -1 1 334.405 2.861 20 5 EFBDMM O=[N+]([O-])c1ccc(NC[C@@H]2C[C@H]2c2ccccc2)cc1-c1nnn[n-]1 ZINC001609602257 1098395629 /nfs/dbraw/zinc/39/56/29/1098395629.db2.gz UOCWBYFZFLDFPY-JSGCOSHPSA-N -1 1 336.355 2.991 20 5 EFBDMM O=[N+]([O-])c1ccc(NC[C@@H]2C[C@H]2c2ccccc2)cc1-c1nn[n-]n1 ZINC001609602257 1098395634 /nfs/dbraw/zinc/39/56/34/1098395634.db2.gz UOCWBYFZFLDFPY-JSGCOSHPSA-N -1 1 336.355 2.991 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CC[C@H]3CCCC[C@H]3C2)cc1-c1nnn[n-]1 ZINC001609601352 1098395751 /nfs/dbraw/zinc/39/57/51/1098395751.db2.gz JKLUGXOPKSTLHQ-NEPJUHHUSA-N -1 1 328.376 2.791 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CC[C@H]3CCCC[C@H]3C2)cc1-c1nn[n-]n1 ZINC001609601352 1098395754 /nfs/dbraw/zinc/39/57/54/1098395754.db2.gz JKLUGXOPKSTLHQ-NEPJUHHUSA-N -1 1 328.376 2.791 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CC[C@H]3CCCC[C@@H]3C2)cc1-c1nnn[n-]1 ZINC001609601355 1098396385 /nfs/dbraw/zinc/39/63/85/1098396385.db2.gz JKLUGXOPKSTLHQ-VXGBXAGGSA-N -1 1 328.376 2.791 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CC[C@H]3CCCC[C@@H]3C2)cc1-c1nn[n-]n1 ZINC001609601355 1098396391 /nfs/dbraw/zinc/39/63/91/1098396391.db2.gz JKLUGXOPKSTLHQ-VXGBXAGGSA-N -1 1 328.376 2.791 20 5 EFBDMM C[C@@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccsc1 ZINC001609780422 1098456310 /nfs/dbraw/zinc/45/63/10/1098456310.db2.gz JDIXSUBMSKHTSV-SNVBAGLBSA-N -1 1 336.369 2.971 20 5 EFBDMM C[C@@]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])(C(=O)[O-])c1ccc(F)cc1 ZINC001609782160 1098457190 /nfs/dbraw/zinc/45/71/90/1098457190.db2.gz WWUBDWCYWFYGOI-INIZCTEOSA-N -1 1 334.303 2.529 20 5 EFBDMM COc1cc(CN(C)Cc2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC001610292977 1098605544 /nfs/dbraw/zinc/60/55/44/1098605544.db2.gz NFCDQKYDCNGZRY-UHFFFAOYSA-N -1 1 330.340 2.934 20 5 EFBDMM Cc1cc(C2CCN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])CC2)[nH]n1 ZINC001610457518 1098690271 /nfs/dbraw/zinc/69/02/71/1098690271.db2.gz JJDFAFOLTXYAKH-UHFFFAOYSA-N -1 1 344.371 2.637 20 5 EFBDMM O=C([O-])c1nc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)sc1C1CC1 ZINC001610711821 1098840542 /nfs/dbraw/zinc/84/05/42/1098840542.db2.gz JIHMGWQYGOAATP-UHFFFAOYSA-N -1 1 349.324 2.585 20 5 EFBDMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001665596781 1104720479 /nfs/dbraw/zinc/72/04/79/1104720479.db2.gz QNWVLBDBQYANOL-HGIWHZBTSA-N -1 1 348.783 2.710 20 5 EFBDMM Cc1cccc(C(=O)NCc2n[n-]c(=S)n2C(C)C)c1[N+](=O)[O-] ZINC000066650073 215063532 /nfs/dbraw/zinc/06/35/32/215063532.db2.gz ANWMIPDFEONANF-UHFFFAOYSA-N -1 1 335.389 2.668 20 5 EFBDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCc1n[n-]c(=S)n1C1CC1 ZINC000067070530 215108664 /nfs/dbraw/zinc/10/86/64/215108664.db2.gz IPXJFIJFUYQZPD-FPYGCLRLSA-N -1 1 345.384 2.513 20 5 EFBDMM CCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)s1 ZINC000180856572 234011228 /nfs/dbraw/zinc/01/12/28/234011228.db2.gz OOJHOKZEFRKYEX-UHFFFAOYSA-N -1 1 344.299 2.862 20 5 EFBDMM COc1ccc([C@@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000186837295 236037175 /nfs/dbraw/zinc/03/71/75/236037175.db2.gz DYZTYZHSRKYONA-AWEZNQCLSA-N -1 1 343.339 2.681 20 5 EFBDMM Cc1ccccc1[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186982049 236086546 /nfs/dbraw/zinc/08/65/46/236086546.db2.gz AZORQQIDOHGQOZ-AWEZNQCLSA-N -1 1 327.340 2.981 20 5 EFBDMM O=C([N-]c1nc[nH]n1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000192675297 240056379 /nfs/dbraw/zinc/05/63/79/240056379.db2.gz NOGRBDVHJCZMOK-UHFFFAOYSA-N -1 1 339.311 2.544 20 5 EFBDMM O=C(NCCc1csc2ccccc12)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193431732 240109411 /nfs/dbraw/zinc/10/94/11/240109411.db2.gz VLVCPTCCMTWHGQ-UHFFFAOYSA-N -1 1 343.364 2.883 20 5 EFBDMM CCOc1ccccc1[C@H](CC)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193507316 240112206 /nfs/dbraw/zinc/11/22/06/240112206.db2.gz LLWBBOPXGRDNKD-ZDUSSCGKSA-N -1 1 345.355 2.975 20 5 EFBDMM CC[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Oc1ccccc1C ZINC000193676598 240121061 /nfs/dbraw/zinc/12/10/61/240121061.db2.gz DDLAUQUSGVQTOQ-CYBMUJFWSA-N -1 1 345.355 2.591 20 5 EFBDMM C[C@]1(c2ccccc2)CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193582093 240222106 /nfs/dbraw/zinc/22/21/06/240222106.db2.gz LPWODSQZQKZDFN-SFHVURJKSA-N -1 1 341.367 2.889 20 5 EFBDMM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193588714 240222776 /nfs/dbraw/zinc/22/27/76/240222776.db2.gz JXRGRRBTEQHQJL-BXUZGUMPSA-N -1 1 327.340 2.714 20 5 EFBDMM O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccc([N+](=O)[O-])[n-]1 ZINC000342885967 284423716 /nfs/dbraw/zinc/42/37/16/284423716.db2.gz NJPIOLOHVFLIMN-UHFFFAOYSA-N -1 1 346.324 2.556 20 5 EFBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000427600859 247369817 /nfs/dbraw/zinc/36/98/17/247369817.db2.gz IRPMFUKTRBGDPK-UHFFFAOYSA-N -1 1 330.272 2.645 20 5 EFBDMM COC(=O)C(C)(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000266144201 248128235 /nfs/dbraw/zinc/12/82/35/248128235.db2.gz HSMGRNIVWHTIHJ-UHFFFAOYSA-N -1 1 331.328 2.626 20 5 EFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000434971144 248201067 /nfs/dbraw/zinc/20/10/67/248201067.db2.gz HNFAJMAKXMLXBX-UHFFFAOYSA-N -1 1 344.352 2.786 20 5 EFBDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(Cl)cc(F)c2F)n1 ZINC000441574758 250042476 /nfs/dbraw/zinc/04/24/76/250042476.db2.gz LFSSMXMSSJGEIX-UHFFFAOYSA-N -1 1 330.678 2.995 20 5 EFBDMM COc1ccc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c([O-])c1 ZINC000442701513 250104273 /nfs/dbraw/zinc/10/42/73/250104273.db2.gz WHFYXETXGJCNAQ-UHFFFAOYSA-N -1 1 348.311 2.579 20 5 EFBDMM O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cc(Cl)ccc1[O-] ZINC000444630728 250320157 /nfs/dbraw/zinc/32/01/57/250320157.db2.gz IEQKPHFXDUOBPD-UHFFFAOYSA-N -1 1 346.730 2.760 20 5 EFBDMM CCc1ccc(C(C)(C)CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000445008909 250373051 /nfs/dbraw/zinc/37/30/51/250373051.db2.gz JFQUKZRDDHYEAB-UHFFFAOYSA-N -1 1 343.383 2.965 20 5 EFBDMM COc1ccc([C@@H](C)N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000187551473 533100410 /nfs/dbraw/zinc/10/04/10/533100410.db2.gz NWHZDHHVDIECTO-SNVBAGLBSA-N -1 1 331.328 2.537 20 5 EFBDMM COc1ccc([C@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000186837312 533203541 /nfs/dbraw/zinc/20/35/41/533203541.db2.gz DYZTYZHSRKYONA-CQSZACIVSA-N -1 1 343.339 2.681 20 5 EFBDMM O=C(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000344434737 142016380 /nfs/dbraw/zinc/01/63/80/142016380.db2.gz DKVKHOGGMWIRLG-ZDUSSCGKSA-N -1 1 341.327 2.903 20 5 EFBDMM Cc1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc2[nH]ncc21 ZINC000346447799 142206264 /nfs/dbraw/zinc/20/62/64/142206264.db2.gz CIVRXOSCCIXVGT-UHFFFAOYSA-N -1 1 332.341 2.580 20 5 EFBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1CCc2cc(Br)ccc21 ZINC000347888918 142287360 /nfs/dbraw/zinc/28/73/60/142287360.db2.gz OCCYAFOVIHPMJW-UHFFFAOYSA-N -1 1 336.145 2.888 20 5 EFBDMM Cc1cccc(CN2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)c1 ZINC000349614740 142340915 /nfs/dbraw/zinc/34/09/15/142340915.db2.gz SKVVSMHNCKIFQJ-UHFFFAOYSA-N -1 1 341.411 2.927 20 5 EFBDMM COc1ccc(Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1OC ZINC000349862252 142369668 /nfs/dbraw/zinc/36/96/68/142369668.db2.gz XYTPYTCSZQFUGF-UHFFFAOYSA-N -1 1 330.300 2.581 20 5 EFBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)CCCCF)c2cccnc21 ZINC000342496425 145138100 /nfs/dbraw/zinc/13/81/00/145138100.db2.gz WEOKHSPFWJHCPT-UHFFFAOYSA-N -1 1 327.337 2.634 20 5 EFBDMM Cc1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)sc1C ZINC000342505878 145140066 /nfs/dbraw/zinc/14/00/66/145140066.db2.gz DRBJVHDVTTYEHH-UHFFFAOYSA-N -1 1 347.443 2.517 20 5 EFBDMM Cc1sc(S(=O)(=O)[N-]CCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000342534082 145143993 /nfs/dbraw/zinc/14/39/93/145143993.db2.gz UOBNHFZTEJCSPE-UHFFFAOYSA-N -1 1 332.325 2.586 20 5 EFBDMM CN(C)c1ccc2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc2n1 ZINC000346752119 145712488 /nfs/dbraw/zinc/71/24/88/145712488.db2.gz DUORPFNMFDPSGD-UHFFFAOYSA-N -1 1 325.328 2.789 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](c2ccccc2)C1 ZINC000348866189 146016192 /nfs/dbraw/zinc/01/61/92/146016192.db2.gz KFRKITIQILNKMZ-ZDUSSCGKSA-N -1 1 327.340 2.715 20 5 EFBDMM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)c(C)c1 ZINC000355846780 147081064 /nfs/dbraw/zinc/08/10/64/147081064.db2.gz URRDCVYQGKWJIZ-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM O=C(Nc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)C1CC1 ZINC000355932593 147101775 /nfs/dbraw/zinc/10/17/75/147101775.db2.gz LMXOTIQRGBDKCX-UHFFFAOYSA-N -1 1 339.311 2.988 20 5 EFBDMM CCN(CC)c1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cn1 ZINC000356500139 147261316 /nfs/dbraw/zinc/26/13/16/147261316.db2.gz CTSOICROVLUYHI-UHFFFAOYSA-N -1 1 328.332 2.881 20 5 EFBDMM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000356701508 147313486 /nfs/dbraw/zinc/31/34/86/147313486.db2.gz NDAFJBGSANLIIM-LURJTMIESA-N -1 1 346.714 2.725 20 5 EFBDMM Cn1ncc2c1nc(Oc1ccc([N+](=O)[O-])c3ccccc13)[n-]c2=O ZINC000356774800 147332048 /nfs/dbraw/zinc/33/20/48/147332048.db2.gz AQCWNPBDSGAYTP-UHFFFAOYSA-N -1 1 337.295 2.923 20 5 EFBDMM CC[C@H](c1ccccc1OC)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000360532134 148385779 /nfs/dbraw/zinc/38/57/79/148385779.db2.gz HYWYZQJOAAMLPJ-CYBMUJFWSA-N -1 1 345.355 2.927 20 5 EFBDMM COc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1F ZINC000188581653 265141037 /nfs/dbraw/zinc/14/10/37/265141037.db2.gz SBAOMYMRDDBXLN-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(OC2CCCCC2)CC1 ZINC000277642916 267220633 /nfs/dbraw/zinc/22/06/33/267220633.db2.gz DBEZQDYWLODHQS-UHFFFAOYSA-N -1 1 349.387 2.649 20 5 EFBDMM O=[N+]([O-])c1ccc(-c2nc(CCc3ccc4c(c3)CCO4)no2)[n-]1 ZINC000277842756 267277973 /nfs/dbraw/zinc/27/79/73/267277973.db2.gz FYUQFVZLBDEMBX-UHFFFAOYSA-N -1 1 326.312 2.693 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000277904945 267294881 /nfs/dbraw/zinc/29/48/81/267294881.db2.gz XZRYEQBARGWXLV-ZDUSSCGKSA-N -1 1 331.303 2.812 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000278265879 267384811 /nfs/dbraw/zinc/38/48/11/267384811.db2.gz XVKNKLIIXBEQON-OAHLLOKOSA-N -1 1 341.367 2.933 20 5 EFBDMM O=C(N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000280646744 273350659 /nfs/dbraw/zinc/35/06/59/273350659.db2.gz SCVMBAMDSSUSON-BXUZGUMPSA-N -1 1 345.330 2.901 20 5 EFBDMM CC(C)[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ncon1 ZINC000286894870 274295361 /nfs/dbraw/zinc/29/53/61/274295361.db2.gz BHMXVAUFEDUIPM-NSHDSACASA-N -1 1 340.286 2.583 20 5 EFBDMM CC1(C)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000288483768 274602114 /nfs/dbraw/zinc/60/21/14/274602114.db2.gz CRQMGDHCUJTIBO-LBPRGKRZSA-N -1 1 333.369 2.980 20 5 EFBDMM CC[C@H]1Cc2ccccc2CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000194016969 276640866 /nfs/dbraw/zinc/64/08/66/276640866.db2.gz FKTWZJQGUBKZFL-AWEZNQCLSA-N -1 1 327.340 2.673 20 5 EFBDMM CN1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000429695901 290047847 /nfs/dbraw/zinc/04/78/47/290047847.db2.gz IEJVBSIAPLQHMV-SFHVURJKSA-N -1 1 327.384 2.789 20 5 EFBDMM Cc1cc(N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000263169927 301343441 /nfs/dbraw/zinc/34/34/41/301343441.db2.gz JGYNVWFRFNKONJ-JQWIXIFHSA-N -1 1 329.356 2.998 20 5 EFBDMM Cc1cc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc2[nH]ncc21 ZINC000346448752 301363925 /nfs/dbraw/zinc/36/39/25/301363925.db2.gz DEPDRFRNHLGNDG-UHFFFAOYSA-N -1 1 346.368 2.889 20 5 EFBDMM C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000298969873 311038447 /nfs/dbraw/zinc/03/84/47/311038447.db2.gz HSQBGBOEFOTVEK-SNVBAGLBSA-N -1 1 342.348 2.627 20 5 EFBDMM O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000299018520 311042373 /nfs/dbraw/zinc/04/23/73/311042373.db2.gz XEFQHZUHADBUBZ-UHFFFAOYSA-N -1 1 328.328 2.692 20 5 EFBDMM O=C(Nc1nc(CN2CCCCC2)cs1)c1ccc([N+](=O)[O-])[n-]1 ZINC000299125055 311053915 /nfs/dbraw/zinc/05/39/15/311053915.db2.gz KVNDSVPVBSUYGZ-UHFFFAOYSA-N -1 1 335.389 2.618 20 5 EFBDMM CC(C)Oc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000302957970 311208715 /nfs/dbraw/zinc/20/87/15/311208715.db2.gz ODHBVFDYAQYOFV-NSHDSACASA-N -1 1 345.355 2.974 20 5 EFBDMM COC[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)[O-] ZINC000417619528 312248830 /nfs/dbraw/zinc/24/88/30/312248830.db2.gz FEWAKUBVGPSMHP-LBPRGKRZSA-N -1 1 336.369 2.513 20 5 EFBDMM Cc1cccc([C@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1C ZINC000525689605 316226942 /nfs/dbraw/zinc/22/69/42/316226942.db2.gz RKGCTCMHKJVJQU-LBPRGKRZSA-N -1 1 335.385 2.646 20 5 EFBDMM C[C@@H](CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])CC(C)(C)C ZINC000526945165 316309069 /nfs/dbraw/zinc/30/90/69/316309069.db2.gz GJCNOBAHFVZMLI-NSHDSACASA-N -1 1 329.422 2.731 20 5 EFBDMM CC1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCCCCC1 ZINC000540656017 317748284 /nfs/dbraw/zinc/74/82/84/317748284.db2.gz GZCXZXXDNQULDE-UHFFFAOYSA-N -1 1 327.406 2.629 20 5 EFBDMM Cc1cccc(C)c1[C@@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000544851718 317898905 /nfs/dbraw/zinc/89/89/05/317898905.db2.gz UJUPODVAWGAELR-GFCCVEGCSA-N -1 1 335.385 2.646 20 5 EFBDMM CC(C)(CCc1ccccc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000556814349 318411230 /nfs/dbraw/zinc/41/12/30/318411230.db2.gz VOSJHCNQJBSQJH-UHFFFAOYSA-N -1 1 329.356 2.837 20 5 EFBDMM CCCN1CCN(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2cc(F)ccc21 ZINC000565193747 318944879 /nfs/dbraw/zinc/94/48/79/318944879.db2.gz CARMXPIOBHOUGF-UHFFFAOYSA-N -1 1 332.335 2.939 20 5 EFBDMM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(n2cc(C(=O)[O-])cn2)CC1 ZINC000568099650 319246907 /nfs/dbraw/zinc/24/69/07/319246907.db2.gz QOVLXJLUQBTQPD-GFCCVEGCSA-N -1 1 344.371 2.888 20 5 EFBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(C2CC2)cc1 ZINC000575852338 319959111 /nfs/dbraw/zinc/95/91/11/319959111.db2.gz LARTYTMKMMYSFX-NSHDSACASA-N -1 1 347.396 2.907 20 5 EFBDMM CCC[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCC1 ZINC000578607703 320221208 /nfs/dbraw/zinc/22/12/08/320221208.db2.gz NLUCZNIWHPUTGU-GFCCVEGCSA-N -1 1 327.406 2.627 20 5 EFBDMM CN(C)[C@@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])c1ccco1 ZINC000578774955 320238693 /nfs/dbraw/zinc/23/86/93/320238693.db2.gz YBHNIOKCYCZQDT-AWEZNQCLSA-N -1 1 333.344 2.530 20 5 EFBDMM COc1cc(C(=O)[N-]c2nc(-c3cccc([N+](=O)[O-])c3)cs2)on1 ZINC000183317760 323328979 /nfs/dbraw/zinc/32/89/79/323328979.db2.gz PWNCQCDKDAGVGB-UHFFFAOYSA-N -1 1 346.324 2.967 20 5 EFBDMM C[C@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1F ZINC000185429749 323390972 /nfs/dbraw/zinc/39/09/72/323390972.db2.gz NWRXPIYQPASJRY-YFKPBYRVSA-N -1 1 347.228 2.613 20 5 EFBDMM Cc1cc(NC[C@@H](c2ccco2)N(C)C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000579838232 324043626 /nfs/dbraw/zinc/04/36/26/324043626.db2.gz NHWWWECTUCKUGT-AWEZNQCLSA-N -1 1 333.344 2.909 20 5 EFBDMM COc1ccc(Br)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000112465823 473274087 /nfs/dbraw/zinc/27/40/87/473274087.db2.gz HVQJBHSMGGXOAE-UHFFFAOYSA-N -1 1 340.133 2.946 20 5 EFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCS[C@H](c2ccccc2)C1 ZINC000593901159 479503277 /nfs/dbraw/zinc/50/32/77/479503277.db2.gz SOSXMZDWUQJVNP-AWEZNQCLSA-N -1 1 345.380 2.626 20 5 EFBDMM CCCc1cc(=O)[n-]c(SCC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000005525607 471509955 /nfs/dbraw/zinc/50/99/55/471509955.db2.gz XJAUWNKMJKSVCW-UHFFFAOYSA-N -1 1 333.369 2.606 20 5 EFBDMM O=[N+]([O-])c1ccc([N-]c2cnn(C[C@@H]3CCCO3)c2)c([N+](=O)[O-])c1 ZINC000043272521 472217407 /nfs/dbraw/zinc/21/74/07/472217407.db2.gz SOPAKQFKMJIFHF-LBPRGKRZSA-N -1 1 333.304 2.622 20 5 EFBDMM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084939039 472229889 /nfs/dbraw/zinc/22/98/89/472229889.db2.gz ILOHIKOHQFTXDR-UHFFFAOYSA-N -1 1 346.364 2.862 20 5 EFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2n[nH]cc2c1 ZINC000032591541 472445371 /nfs/dbraw/zinc/44/53/71/472445371.db2.gz GMDSLEBJDXAOFO-UHFFFAOYSA-N -1 1 332.341 2.580 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000045909285 472483620 /nfs/dbraw/zinc/48/36/20/472483620.db2.gz BIKHAOUVJAXLQE-UHFFFAOYSA-N -1 1 334.353 2.639 20 5 EFBDMM CCC(CC)c1nnc([N-]C(=O)c2c([N+](=O)[O-])c(C)nn2C)s1 ZINC000098097953 472518066 /nfs/dbraw/zinc/51/80/66/472518066.db2.gz HCJJFVXPECCUMQ-UHFFFAOYSA-N -1 1 338.393 2.644 20 5 EFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2F)c([N+](=O)[O-])c1 ZINC000071826191 472575315 /nfs/dbraw/zinc/57/53/15/472575315.db2.gz KYPQZPTZFNYBNJ-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2ccccc2n1 ZINC000072555750 472678277 /nfs/dbraw/zinc/67/82/77/472678277.db2.gz ZJQKYZIIHRVXJE-UHFFFAOYSA-N -1 1 343.364 2.674 20 5 EFBDMM CCCCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n[nH]1 ZINC000177776093 473433054 /nfs/dbraw/zinc/43/30/54/473433054.db2.gz ZYERIWSIMGDQSK-UHFFFAOYSA-N -1 1 338.389 2.770 20 5 EFBDMM CC[C@](C)([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nccs1 ZINC000151470025 473460708 /nfs/dbraw/zinc/46/07/08/473460708.db2.gz CZUXXTCOEJAWSI-ZDUSSCGKSA-N -1 1 341.414 2.655 20 5 EFBDMM Cc1cccnc1[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)C ZINC000185663560 473483553 /nfs/dbraw/zinc/48/35/53/473483553.db2.gz VOKKEQOJMKSWHO-CYBMUJFWSA-N -1 1 330.344 2.526 20 5 EFBDMM CCCOc1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C)c1 ZINC000191118352 473483705 /nfs/dbraw/zinc/48/37/05/473483705.db2.gz WVCKLEKQFWSGGM-UHFFFAOYSA-N -1 1 345.355 2.723 20 5 EFBDMM COc1ccc([C@H](C)CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000185731754 473499966 /nfs/dbraw/zinc/49/99/66/473499966.db2.gz DZPYFFGTOAQLHC-LLVKDONJSA-N -1 1 345.355 2.628 20 5 EFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2cc(Cl)ccc2C1 ZINC000191537425 473551635 /nfs/dbraw/zinc/55/16/35/473551635.db2.gz ZSJJQFCZXAAOOP-UHFFFAOYSA-N -1 1 333.731 2.547 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)c1C ZINC000152380269 473555109 /nfs/dbraw/zinc/55/51/09/473555109.db2.gz GKEGBTYRAOCDIA-UHFFFAOYSA-N -1 1 338.389 2.859 20 5 EFBDMM C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263022834 473740896 /nfs/dbraw/zinc/74/08/96/473740896.db2.gz RAANPSYLZSYBMQ-FBIMIBRVSA-N -1 1 332.278 2.851 20 5 EFBDMM CCc1[nH]nc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)c1[N+](=O)[O-] ZINC000192903250 473744897 /nfs/dbraw/zinc/74/48/97/473744897.db2.gz UMSHCAPNSMZPMP-VIFPVBQESA-N -1 1 330.344 2.740 20 5 EFBDMM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186844934 473768205 /nfs/dbraw/zinc/76/82/05/473768205.db2.gz AFVCAIJFAZRGEQ-MRVPVSSYSA-N -1 1 337.282 2.807 20 5 EFBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C)c1F ZINC000180016689 473777157 /nfs/dbraw/zinc/77/71/57/473777157.db2.gz BSHOTVFOYKAEHH-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM O=C(N[C@H](c1ccccc1)C1CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187107221 473818584 /nfs/dbraw/zinc/81/85/84/473818584.db2.gz FVXBKYLLJCFAQI-OAHLLOKOSA-N -1 1 327.340 2.967 20 5 EFBDMM C[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Sc1ccccc1 ZINC000187142732 473824948 /nfs/dbraw/zinc/82/49/48/473824948.db2.gz GPKUTQQIUVCBIV-JTQLQIEISA-N -1 1 333.369 2.606 20 5 EFBDMM Cc1cccc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000282014954 473917850 /nfs/dbraw/zinc/91/78/50/473917850.db2.gz XFNLFVRHOVYEHL-UHFFFAOYSA-N -1 1 345.321 2.798 20 5 EFBDMM CCc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000174124148 473989926 /nfs/dbraw/zinc/98/99/26/473989926.db2.gz DMCFNNMUBNGOKY-UHFFFAOYSA-N -1 1 329.238 2.546 20 5 EFBDMM CC(=O)N(Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1)C(C)C ZINC000265339853 474180822 /nfs/dbraw/zinc/18/08/22/474180822.db2.gz PILPTQTUVHDWMR-UHFFFAOYSA-N -1 1 344.371 2.932 20 5 EFBDMM CC1(C)CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)Cc2ccccc21 ZINC000270686355 474222067 /nfs/dbraw/zinc/22/20/67/474222067.db2.gz ZNGULZXNDODUDC-UHFFFAOYSA-N -1 1 327.340 2.629 20 5 EFBDMM CN(Cc1cc2ccccc2o1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000175456639 474223808 /nfs/dbraw/zinc/22/38/08/474223808.db2.gz ROLUNSPRPFMPJM-UHFFFAOYSA-N -1 1 327.296 2.714 20 5 EFBDMM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(Br)c1 ZINC000608907976 480104753 /nfs/dbraw/zinc/10/47/53/480104753.db2.gz SDGYKKKTFZWHBZ-UHFFFAOYSA-N -1 1 340.133 2.946 20 5 EFBDMM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000266927259 474533368 /nfs/dbraw/zinc/53/33/68/474533368.db2.gz KVPGWQKSBBEDRP-JSGCOSHPSA-N -1 1 341.367 2.789 20 5 EFBDMM COCc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000340907342 474767989 /nfs/dbraw/zinc/76/79/89/474767989.db2.gz WWWZFLPGQASXOU-UHFFFAOYSA-N -1 1 336.369 2.850 20 5 EFBDMM COC[C@H](Cc1ccccc1)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339120490 474947485 /nfs/dbraw/zinc/94/74/85/474947485.db2.gz PSUUAZTZUQNEOD-INIZCTEOSA-N -1 1 330.384 2.990 20 5 EFBDMM O=C(NCc1csc2ccccc12)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000341105012 474979040 /nfs/dbraw/zinc/97/90/40/474979040.db2.gz ORASRNCGRGIWAH-UHFFFAOYSA-N -1 1 329.337 2.840 20 5 EFBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273604004 474986719 /nfs/dbraw/zinc/98/67/19/474986719.db2.gz PNPXEKFVWPYUCL-UHFFFAOYSA-N -1 1 346.315 2.506 20 5 EFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(OCC4CC4)nc3)no2)[n-]1 ZINC000273823366 475065996 /nfs/dbraw/zinc/06/59/96/475065996.db2.gz JTAPIZXLIPHUMQ-UHFFFAOYSA-N -1 1 327.300 2.824 20 5 EFBDMM CCOC(=O)c1cnc(C(C)=Cc2csc([N+](=O)[O-])c2)[n-]c1=O ZINC000347478055 475318303 /nfs/dbraw/zinc/31/83/03/475318303.db2.gz DRRACFROOFXWHH-YWEYNIOJSA-N -1 1 335.341 2.889 20 5 EFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCC[C@H]3C2)s1 ZINC000332239029 475570917 /nfs/dbraw/zinc/57/09/17/475570917.db2.gz PPFPCFFYCOYYTF-OUAUKWLOSA-N -1 1 330.431 2.903 20 5 EFBDMM C[C@@]1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000354994819 475585002 /nfs/dbraw/zinc/58/50/02/475585002.db2.gz BGUFESTURRYEBN-GUYCJALGSA-N -1 1 327.340 2.619 20 5 EFBDMM CCSc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000340117128 475770820 /nfs/dbraw/zinc/77/08/20/475770820.db2.gz HBKQYTPCQDESAV-UHFFFAOYSA-N -1 1 328.350 2.950 20 5 EFBDMM Cc1nc(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])[n-]c(=O)c1C ZINC000346712690 475788888 /nfs/dbraw/zinc/78/88/88/475788888.db2.gz BTIHGDXGYFAJKW-JTQLQIEISA-N -1 1 348.384 2.827 20 5 EFBDMM Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nc(C)c(C)c(=O)[n-]1 ZINC000346725989 475803766 /nfs/dbraw/zinc/80/37/66/475803766.db2.gz SHYFXNYCFCLTHM-UHFFFAOYSA-N -1 1 348.384 2.746 20 5 EFBDMM CC(C)NC(=O)Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000343263887 475902095 /nfs/dbraw/zinc/90/20/95/475902095.db2.gz VJLCPBDDAAEDIG-UHFFFAOYSA-N -1 1 331.332 2.705 20 5 EFBDMM C[C@]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)(C1CC1)C(F)(F)F ZINC000358817346 475963559 /nfs/dbraw/zinc/96/35/59/475963559.db2.gz TZKGOUHTIVMKPU-NSHDSACASA-N -1 1 338.307 2.604 20 5 EFBDMM O=C(Nc1ccnn1Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000343401706 476028221 /nfs/dbraw/zinc/02/82/21/476028221.db2.gz WXTGFENTEYDVQP-UHFFFAOYSA-N -1 1 329.291 2.559 20 5 EFBDMM CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000340594111 476134535 /nfs/dbraw/zinc/13/45/35/476134535.db2.gz LRKGDQLJPOJFRK-UHFFFAOYSA-N -1 1 330.296 2.729 20 5 EFBDMM COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000336859239 476145702 /nfs/dbraw/zinc/14/57/02/476145702.db2.gz GBMKIHZFIQGOAI-UHFFFAOYSA-N -1 1 326.305 2.543 20 5 EFBDMM Cc1ccc(CN[C@@]2(C(=O)[O-])CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000340672471 476194695 /nfs/dbraw/zinc/19/46/95/476194695.db2.gz AGKWZVXQWKJNNO-SFHVURJKSA-N -1 1 342.351 2.755 20 5 EFBDMM CC(C)COc1ccccc1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000302926470 476212598 /nfs/dbraw/zinc/21/25/98/476212598.db2.gz ASFYGGQMUPMUCS-UHFFFAOYSA-N -1 1 345.355 2.660 20 5 EFBDMM Cc1cc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)ccc1-n1cncn1 ZINC000357232192 476298546 /nfs/dbraw/zinc/29/85/46/476298546.db2.gz HIZHLLIZQZXXHU-UHFFFAOYSA-N -1 1 337.299 2.529 20 5 EFBDMM O=C(N[C@H]1CCCc2ccc(F)cc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000360494797 476305796 /nfs/dbraw/zinc/30/57/96/476305796.db2.gz HSQONNALPKVLLM-AWEZNQCLSA-N -1 1 331.303 2.642 20 5 EFBDMM C[C@@H](CNC(=O)c1ccccc1)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000357263609 476308446 /nfs/dbraw/zinc/30/84/46/476308446.db2.gz OZYZETOIOOIXIU-JTQLQIEISA-N -1 1 341.327 2.506 20 5 EFBDMM O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000360992531 476528445 /nfs/dbraw/zinc/52/84/45/476528445.db2.gz HISOCCHDABXBJW-DGCLKSJQSA-N -1 1 345.330 2.901 20 5 EFBDMM O=C(N[C@@H]1CC[C@H](c2cccc(F)c2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000360992532 476529626 /nfs/dbraw/zinc/52/96/26/476529626.db2.gz HISOCCHDABXBJW-WCQYABFASA-N -1 1 345.330 2.901 20 5 EFBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1CCc2ccc(Br)cc21 ZINC000352290390 476614947 /nfs/dbraw/zinc/61/49/47/476614947.db2.gz QNHNTUFXLWXKBZ-UHFFFAOYSA-N -1 1 336.145 2.888 20 5 EFBDMM O=C([N-]c1nc2ccc(F)cn2n1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000443928740 476720217 /nfs/dbraw/zinc/72/02/17/476720217.db2.gz OAHMPHKZGZSFGD-UHFFFAOYSA-N -1 1 341.258 2.775 20 5 EFBDMM C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000452234453 476888723 /nfs/dbraw/zinc/88/87/23/476888723.db2.gz XRJMEZZSYMLVLM-DJLDLDEBSA-N -1 1 347.293 2.887 20 5 EFBDMM O=C(NCC[C@H]1CCc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000452305733 476910505 /nfs/dbraw/zinc/91/05/05/476910505.db2.gz AYJNZPYGZBKPGO-GFCCVEGCSA-N -1 1 327.340 2.545 20 5 EFBDMM CCc1cc(=O)[n-]c(SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])n1 ZINC000436252589 477449953 /nfs/dbraw/zinc/44/99/53/477449953.db2.gz JAGLZDRKNOKGKG-UHFFFAOYSA-N -1 1 348.384 2.692 20 5 EFBDMM O=C(c1ccc(Cl)cc1[O-])N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000436617006 477532397 /nfs/dbraw/zinc/53/23/97/477532397.db2.gz LUMOOWNDLIKSAR-UHFFFAOYSA-N -1 1 348.742 2.989 20 5 EFBDMM CCC(=O)c1ccc(O)c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000436652728 477546903 /nfs/dbraw/zinc/54/69/03/477546903.db2.gz QFXZGGBEODOWIR-UHFFFAOYSA-N -1 1 330.296 2.851 20 5 EFBDMM COc1ccc(CNC(=O)c2cc(Cl)ccc2[O-])cc1[N+](=O)[O-] ZINC000436824947 477601925 /nfs/dbraw/zinc/60/19/25/477601925.db2.gz JIUMPKIKAAZFHR-UHFFFAOYSA-N -1 1 336.731 2.892 20 5 EFBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000427199831 477765054 /nfs/dbraw/zinc/76/50/54/477765054.db2.gz VRLOZVKFNKYMCQ-UHFFFAOYSA-N -1 1 348.262 2.726 20 5 EFBDMM O=C(N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000438470541 477847474 /nfs/dbraw/zinc/84/74/74/477847474.db2.gz PQVNQLYLXXPMLO-OTCDBFHCSA-N -1 1 349.293 2.650 20 5 EFBDMM C[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000461849319 477885987 /nfs/dbraw/zinc/88/59/87/477885987.db2.gz KERBJXDFNYFHQZ-NXEZZACHSA-N -1 1 332.809 2.963 20 5 EFBDMM O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000439241870 477946757 /nfs/dbraw/zinc/94/67/57/477946757.db2.gz YKBPZVHFCFNDDR-DTWKUNHWSA-N -1 1 347.293 2.794 20 5 EFBDMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(C)c([N+](=O)[O-])c1 ZINC000421137576 477977182 /nfs/dbraw/zinc/97/71/82/477977182.db2.gz GMYNIINQQWRGRF-ZDUSSCGKSA-N -1 1 330.406 2.706 20 5 EFBDMM C[C@H](C(=O)Nc1nc(-c2ccccn2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000518880409 478196202 /nfs/dbraw/zinc/19/62/02/478196202.db2.gz GCBGUDKOYKWORO-JTQLQIEISA-N -1 1 338.327 2.517 20 5 EFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1CC(F)(F)C1 ZINC000489979192 478295888 /nfs/dbraw/zinc/29/58/88/478295888.db2.gz GYZXDIJUATVZAB-UHFFFAOYSA-N -1 1 340.735 2.572 20 5 EFBDMM Cc1c(CN(C)Cc2ccc(OCC(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000570521612 478379765 /nfs/dbraw/zinc/37/97/65/478379765.db2.gz GPHFESVKSNDOCD-UHFFFAOYSA-N -1 1 344.367 2.999 20 5 EFBDMM O=C([O-])c1ccccc1CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000563277403 478503266 /nfs/dbraw/zinc/50/32/66/478503266.db2.gz HJPRRNZJDOGDLC-UHFFFAOYSA-N -1 1 341.367 2.615 20 5 EFBDMM O=C([O-])c1ccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000563282228 478505258 /nfs/dbraw/zinc/50/52/58/478505258.db2.gz GEYPLHRMEALBKW-UHFFFAOYSA-N -1 1 346.339 2.929 20 5 EFBDMM CC(C)CNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000597840336 478533926 /nfs/dbraw/zinc/53/39/26/478533926.db2.gz DHYSHRIHXJRWBX-UHFFFAOYSA-N -1 1 330.344 2.561 20 5 EFBDMM C[C@@]12CCN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000595279483 478711192 /nfs/dbraw/zinc/71/11/92/478711192.db2.gz QLJHUJHXLMBCRG-GXTWGEPZSA-N -1 1 326.299 2.770 20 5 EFBDMM CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000595279105 478712204 /nfs/dbraw/zinc/71/22/04/478712204.db2.gz INJUGZZBUPLJEK-VDISTLRHSA-N -1 1 331.328 2.545 20 5 EFBDMM CO[C@@H](CS(=O)(=O)[N-]c1c(C)ccc([N+](=O)[O-])c1C)C(C)C ZINC000592382500 478876861 /nfs/dbraw/zinc/87/68/61/478876861.db2.gz XGIKYGYTEBXKCB-ZDUSSCGKSA-N -1 1 330.406 2.624 20 5 EFBDMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)c1C ZINC000592384846 478877613 /nfs/dbraw/zinc/87/76/13/478877613.db2.gz CJEQWCNGSUKDHV-UHFFFAOYSA-N -1 1 338.389 2.552 20 5 EFBDMM O=C(NC1(Cc2cccc(F)c2)CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000598740609 478998390 /nfs/dbraw/zinc/99/83/90/478998390.db2.gz UEKSZOURTRXTTI-UHFFFAOYSA-N -1 1 345.330 2.730 20 5 EFBDMM CCCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCN(C)C1 ZINC000592829599 479062845 /nfs/dbraw/zinc/06/28/45/479062845.db2.gz RLWUAGYFPYJGBI-LLVKDONJSA-N -1 1 341.795 2.510 20 5 EFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@@H](OCC3CC3)C2)c1 ZINC000593738765 479440185 /nfs/dbraw/zinc/44/01/85/479440185.db2.gz YKJGKYBLOATHDF-OAHLLOKOSA-N -1 1 334.372 2.684 20 5 EFBDMM C[C@@H](CSc1ccccc1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000593762776 479453200 /nfs/dbraw/zinc/45/32/00/479453200.db2.gz WZUVZTQRPBFXQX-NSHDSACASA-N -1 1 347.396 2.948 20 5 EFBDMM O=[N+]([O-])c1ccc(CCS(=O)(=O)[N-]C2(C(F)F)CCCC2)cc1 ZINC000588906279 479455849 /nfs/dbraw/zinc/45/58/49/479455849.db2.gz VEZUAWCMQYGODR-UHFFFAOYSA-N -1 1 348.371 2.635 20 5 EFBDMM Cc1cnc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])o1 ZINC000618671182 479545341 /nfs/dbraw/zinc/54/53/41/479545341.db2.gz FRTRHYYMVHDGJQ-UHFFFAOYSA-N -1 1 332.135 2.968 20 5 EFBDMM Cc1cc(S(=O)(=O)[N-]c2ccccc2F)c(F)cc1[N+](=O)[O-] ZINC000590597738 479665992 /nfs/dbraw/zinc/66/59/92/479665992.db2.gz YHUAOEYJOILLMT-UHFFFAOYSA-N -1 1 328.296 2.982 20 5 EFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000610260027 480263445 /nfs/dbraw/zinc/26/34/45/480263445.db2.gz UNZXJOQUSQWRRY-FRRDWIJNSA-N -1 1 339.417 2.627 20 5 EFBDMM Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000610262674 480265345 /nfs/dbraw/zinc/26/53/45/480265345.db2.gz JWPUNFLUJLGSTN-UHFFFAOYSA-N -1 1 349.412 2.554 20 5 EFBDMM O=C(Nc1ccc(OCC(F)(F)F)nc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000343185862 518200923 /nfs/dbraw/zinc/20/09/23/518200923.db2.gz JGSCUVUHUPYUBQ-UHFFFAOYSA-N -1 1 330.222 2.511 20 5 EFBDMM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCN(CC2CCCCC2)CC1 ZINC000160145399 534715785 /nfs/dbraw/zinc/71/57/85/534715785.db2.gz NERWSLOQSHRRCP-UHFFFAOYSA-N -1 1 347.415 2.639 20 5 EFBDMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cccc1[N+](=O)[O-] ZINC000120391042 525871874 /nfs/dbraw/zinc/87/18/74/525871874.db2.gz LCDYNMVLLFFDHW-UHFFFAOYSA-N -1 1 334.353 2.639 20 5 EFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cccc(F)c1 ZINC000119550728 527389249 /nfs/dbraw/zinc/38/92/49/527389249.db2.gz YDJFLAGMPASQJX-UHFFFAOYSA-N -1 1 344.751 2.866 20 5 EFBDMM O=C(Nc1ccncc1[O-])c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000153460335 527457886 /nfs/dbraw/zinc/45/78/86/527457886.db2.gz ZYYBLACNCPHVDB-UHFFFAOYSA-N -1 1 327.218 2.967 20 5 EFBDMM O=C(NCC1(Sc2ccccc2)CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000217093419 527578318 /nfs/dbraw/zinc/57/83/18/527578318.db2.gz PHISOOOTHWSHTF-UHFFFAOYSA-N -1 1 345.380 2.750 20 5 EFBDMM CC(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH]n1 ZINC000160642722 528051593 /nfs/dbraw/zinc/05/15/93/528051593.db2.gz MSYHEMCMFPMEAP-UHFFFAOYSA-N -1 1 344.780 2.896 20 5 EFBDMM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](C)c1cccc(OC)c1 ZINC000187555400 529097672 /nfs/dbraw/zinc/09/76/72/529097672.db2.gz LBJOUKKANJPQHI-NSHDSACASA-N -1 1 345.355 2.927 20 5 EFBDMM O=C([N-]c1nncs1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754630293 575463229 /nfs/dbraw/zinc/46/32/29/575463229.db2.gz JVWLNFIYBRFBRP-UHFFFAOYSA-N -1 1 347.125 2.600 20 5 EFBDMM Nc1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000755407469 575583910 /nfs/dbraw/zinc/58/39/10/575583910.db2.gz WJGVGXONUNDJBY-UHFFFAOYSA-N -1 1 345.739 2.770 20 5 EFBDMM O=[N+]([O-])c1ccc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)[n-]1 ZINC000761967770 576234651 /nfs/dbraw/zinc/23/46/51/576234651.db2.gz FDFBZCGNYAVICI-UHFFFAOYSA-N -1 1 344.287 2.536 20 5 EFBDMM Cc1cccc(C)c1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768863744 577311499 /nfs/dbraw/zinc/31/14/99/577311499.db2.gz ZDIUOSUJHKQSRA-UHFFFAOYSA-N -1 1 326.399 2.752 20 5 EFBDMM O=C(OCc1cc2ccccc2[nH]c1=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769051002 577328162 /nfs/dbraw/zinc/32/81/62/577328162.db2.gz ZUSPETOJEFXYDL-UHFFFAOYSA-N -1 1 340.291 2.911 20 5 EFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1(c2ccccc2)CC1 ZINC000726600901 577374891 /nfs/dbraw/zinc/37/48/91/577374891.db2.gz KRAIPXZGFUOXMY-UHFFFAOYSA-N -1 1 336.344 2.702 20 5 EFBDMM O=C([O-])c1cc(NC(=O)c2cc(-c3ccoc3)n[nH]2)cc([N+](=O)[O-])c1 ZINC000740090409 600190462 /nfs/dbraw/zinc/19/04/62/600190462.db2.gz MSOHDKMCKLMENU-UHFFFAOYSA-N -1 1 342.267 2.528 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCc2c[nH]c3ccccc23)cc1-c1nnn[n-]1 ZINC000826498691 607449032 /nfs/dbraw/zinc/44/90/32/607449032.db2.gz FPNSNSGDRGMNRQ-UHFFFAOYSA-N -1 1 349.354 2.911 20 5 EFBDMM O=[N+]([O-])c1ccc(NCCc2c[nH]c3ccccc23)cc1-c1nn[n-]n1 ZINC000826498691 607449034 /nfs/dbraw/zinc/44/90/34/607449034.db2.gz FPNSNSGDRGMNRQ-UHFFFAOYSA-N -1 1 349.354 2.911 20 5 EFBDMM O=C([O-])CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000833233416 601115041 /nfs/dbraw/zinc/11/50/41/601115041.db2.gz YNRKJZCDZXSDKY-ZDUSSCGKSA-N -1 1 342.779 2.704 20 5 EFBDMM C[C@H](NCc1cccc(OCC(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000827740894 601380287 /nfs/dbraw/zinc/38/02/87/601380287.db2.gz FGJVKIKRERRMLW-LBPRGKRZSA-N -1 1 330.340 2.909 20 5 EFBDMM C[C@]1(C(=O)[O-])CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000828028917 601888231 /nfs/dbraw/zinc/88/82/31/601888231.db2.gz IFRGZRVVLWXJNS-AWEZNQCLSA-N -1 1 337.357 2.626 20 5 EFBDMM C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000833630228 604665675 /nfs/dbraw/zinc/66/56/75/604665675.db2.gz QGLWTEBFFBTQOZ-SCZZXKLOSA-N -1 1 343.177 2.510 20 5 EFBDMM CCc1nc([C@@H](C)Nc2ccc(C=CC(=O)[O-])cc2[N+](=O)[O-])n[nH]1 ZINC000833673182 605007184 /nfs/dbraw/zinc/00/71/84/605007184.db2.gz HXIIGBRYTJMPTC-VPIOIWJLSA-N -1 1 331.332 2.546 20 5 EFBDMM CC1=C(C(=O)[O-])C[C@H](CN(Cc2ccccc2[N+](=O)[O-])C2CC2)O1 ZINC000833585337 605371651 /nfs/dbraw/zinc/37/16/51/605371651.db2.gz WKGSUEJXABDQDQ-CQSZACIVSA-N -1 1 332.356 2.707 20 5 EFBDMM Cc1cc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)ccc1[N+](=O)[O-] ZINC000822211936 606441873 /nfs/dbraw/zinc/44/18/73/606441873.db2.gz UNNWTQLTPMFGMK-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM Cc1cc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)ccc1[N+](=O)[O-] ZINC000822211936 606441875 /nfs/dbraw/zinc/44/18/75/606441875.db2.gz UNNWTQLTPMFGMK-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM C[C@@H]1CCCC[C@H]1CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820697852 606710633 /nfs/dbraw/zinc/71/06/33/606710633.db2.gz NDDYZJMEPHGOHY-MNOVXSKESA-N -1 1 331.380 2.798 20 5 EFBDMM C[C@@H]1CCCC[C@H]1CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820697852 606710635 /nfs/dbraw/zinc/71/06/35/606710635.db2.gz NDDYZJMEPHGOHY-MNOVXSKESA-N -1 1 331.380 2.798 20 5 EFBDMM C[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Cc1cccs1 ZINC000820280957 606711547 /nfs/dbraw/zinc/71/15/47/606711547.db2.gz PYTUHOKRASWKHV-VIFPVBQESA-N -1 1 345.388 2.522 20 5 EFBDMM C[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Cc1cccs1 ZINC000820280957 606711548 /nfs/dbraw/zinc/71/15/48/606711548.db2.gz PYTUHOKRASWKHV-VIFPVBQESA-N -1 1 345.388 2.522 20 5 EFBDMM CN(Cc1cccc(F)c1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000825980908 607838700 /nfs/dbraw/zinc/83/87/00/607838700.db2.gz LKWBTHOHWSMYBV-UHFFFAOYSA-N -1 1 328.307 2.550 20 5 EFBDMM CC(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791410885 1278093852 /nfs/dbraw/zinc/09/38/52/1278093852.db2.gz DYUBQLFPSSIKQG-UHFFFAOYSA-N -1 1 327.189 2.836 20 5 EFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC(C1CC1)C1CC1 ZINC000742337611 1269991174 /nfs/dbraw/zinc/99/11/74/1269991174.db2.gz DZXCWUZZCCRAAS-UHFFFAOYSA-N -1 1 344.820 2.963 20 5 EFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1C[C@@H]1C1CCCCC1 ZINC000742314366 1269995217 /nfs/dbraw/zinc/99/52/17/1269995217.db2.gz XQARGRLVOFDMOQ-YPMHNXCESA-N -1 1 342.392 2.981 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CC=CCC1 ZINC000815014801 1287249838 /nfs/dbraw/zinc/24/98/38/1287249838.db2.gz AXFYSSUKMRMHJP-QMMMGPOBSA-N -1 1 334.756 2.774 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CC=CCC1 ZINC000815014800 1287249856 /nfs/dbraw/zinc/24/98/56/1287249856.db2.gz AXFYSSUKMRMHJP-MRVPVSSYSA-N -1 1 334.756 2.774 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCc1ccco1 ZINC000815034467 1287277859 /nfs/dbraw/zinc/27/78/59/1287277859.db2.gz PLNZMKCXGCWYHM-UHFFFAOYSA-N -1 1 348.739 2.501 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C1(C2CCC2)CC1 ZINC000845997638 1279988908 /nfs/dbraw/zinc/98/89/08/1279988908.db2.gz ARTBFFBFMCGOLX-UHFFFAOYSA-N -1 1 348.783 2.998 20 5 EFBDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000747354529 1281149355 /nfs/dbraw/zinc/14/93/55/1281149355.db2.gz GEFMGEHHGDETNC-UHFFFAOYSA-N -1 1 344.371 2.794 20 5 EFBDMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1 ZINC000809810216 1282473158 /nfs/dbraw/zinc/47/31/58/1282473158.db2.gz OYSKPWGCMMWPHP-ZETCQYMHSA-N -1 1 336.772 2.712 20 5 EFBDMM CC1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCCC1 ZINC000809810086 1282474481 /nfs/dbraw/zinc/47/44/81/1282474481.db2.gz JZLXXUHHRVDGTG-UHFFFAOYSA-N -1 1 336.772 2.998 20 5 EFBDMM CC1(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000809839041 1282500812 /nfs/dbraw/zinc/50/08/12/1282500812.db2.gz FQITYSWUJAAHEN-UHFFFAOYSA-N -1 1 336.772 2.856 20 5 EFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CC=CCC2)cc1Cl ZINC000809818737 1282516775 /nfs/dbraw/zinc/51/67/75/1282516775.db2.gz PHGAEBNEMIIIBS-QMMMGPOBSA-N -1 1 334.756 2.774 20 5 EFBDMM CC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000809824374 1282522730 /nfs/dbraw/zinc/52/27/30/1282522730.db2.gz PJDHCENVJVGTHC-UHFFFAOYSA-N -1 1 339.200 2.980 20 5 EFBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CCC1 ZINC000809829064 1282527501 /nfs/dbraw/zinc/52/75/01/1282527501.db2.gz YGEPYDHHDHMUHN-ZETCQYMHSA-N -1 1 336.772 2.854 20 5 EFBDMM CCOc1ccc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)c(F)c1F ZINC001212892999 1290622311 /nfs/dbraw/zinc/62/23/11/1290622311.db2.gz HYIHVIISAJNFBX-UHFFFAOYSA-N -1 1 337.242 2.712 20 5 EFBDMM Cc1c(C(=O)[N-]c2nnc(C3CC3)s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000021292352 1290692742 /nfs/dbraw/zinc/69/27/42/1290692742.db2.gz SFVNNKMFVAHNAE-UHFFFAOYSA-N -1 1 349.328 2.793 20 5 EFBDMM Cc1c(CN2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000877773820 1291367496 /nfs/dbraw/zinc/36/74/96/1291367496.db2.gz YZNYZMXJWZAVOC-CQSZACIVSA-N -1 1 345.321 2.546 20 5 EFBDMM CC(=O)N1CCC(Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)CC1 ZINC001233497062 1312942968 /nfs/dbraw/zinc/94/29/68/1312942968.db2.gz DSTOAAHCUSMZPO-UHFFFAOYSA-N -1 1 338.751 2.514 20 5 EFBDMM CCOC(=O)[C@H](CC)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233506177 1312947015 /nfs/dbraw/zinc/94/70/15/1312947015.db2.gz MRRXMWBWXFDLIQ-NSHDSACASA-N -1 1 327.724 2.845 20 5 EFBDMM O=C([O-])[C@@H]1[C@@H]2CCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C[C@@H]21 ZINC000903628187 1312970039 /nfs/dbraw/zinc/97/00/39/1312970039.db2.gz ZHQOYGOPHMVPTI-NTZNESFSSA-N -1 1 344.289 2.766 20 5 EFBDMM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1 ZINC000132254669 1293643168 /nfs/dbraw/zinc/64/31/68/1293643168.db2.gz SHYUDDVRHCFXOX-UHFFFAOYSA-N -1 1 340.332 2.852 20 5 EFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(F)cc1 ZINC000101568369 1293776199 /nfs/dbraw/zinc/77/61/99/1293776199.db2.gz FORBMKZZFRSJIP-UHFFFAOYSA-N -1 1 344.751 2.866 20 5 EFBDMM CCO[C@@H](C)COc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234123616 1313061508 /nfs/dbraw/zinc/06/15/08/1313061508.db2.gz DULGRVCACOAFKC-VIFPVBQESA-N -1 1 346.335 2.867 20 5 EFBDMM O=c1c2cc(O)ccc2oc2cc([O-])cc(O[C@H]3CCOC[C@H]3F)c12 ZINC001234747080 1313188544 /nfs/dbraw/zinc/18/85/44/1313188544.db2.gz HZHSJWGWFYNKCI-OCCSQVGLSA-N -1 1 346.310 2.863 20 5 EFBDMM CCO[C@H](C)COc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234750454 1313188724 /nfs/dbraw/zinc/18/87/24/1313188724.db2.gz JUKLBGRQBQTZTG-SECBINFHSA-N -1 1 346.335 2.867 20 5 EFBDMM CC[C@H](COc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21)OC ZINC001234750548 1313188998 /nfs/dbraw/zinc/18/89/98/1313188998.db2.gz LOCAIGSVLTYOOP-SNVBAGLBSA-N -1 1 346.335 2.867 20 5 EFBDMM CC(C)OCCOc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234751157 1313189085 /nfs/dbraw/zinc/18/90/85/1313189085.db2.gz SIEORMMUXQUYCP-UHFFFAOYSA-N -1 1 346.335 2.867 20 5 EFBDMM CC(C)(C)N1CC(Oc2c([O-])cc(Br)cc2[N+](=O)[O-])C1 ZINC001234878826 1313202514 /nfs/dbraw/zinc/20/25/14/1313202514.db2.gz YJCJMBKYSHYHNF-UHFFFAOYSA-N -1 1 345.193 2.924 20 5 EFBDMM O=C1CCCC[C@H]1Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234875863 1313201765 /nfs/dbraw/zinc/20/17/65/1313201765.db2.gz WFDGUZJDAXGOEY-LLVKDONJSA-N -1 1 330.134 2.953 20 5 EFBDMM Nc1cc2nc3ccccc3n(-c3cc([O-])cc([N+](=O)[O-])c3)c-2cc1=O ZINC001201229057 1296638137 /nfs/dbraw/zinc/63/81/37/1296638137.db2.gz AUFMKLHXJFHIKE-UHFFFAOYSA-N -1 1 348.318 2.687 20 5 EFBDMM Nc1cc(Br)cc2c1cnn2-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001201224953 1296672095 /nfs/dbraw/zinc/67/20/95/1296672095.db2.gz WZQGNXKGHWASCW-UHFFFAOYSA-N -1 1 349.144 2.984 20 5 EFBDMM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903903927 1313384580 /nfs/dbraw/zinc/38/45/80/1313384580.db2.gz GSYHIFKHOYZUOQ-IUCAKERBSA-N -1 1 343.177 2.652 20 5 EFBDMM C[C@@H](O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000795380776 1300876604 /nfs/dbraw/zinc/87/66/04/1300876604.db2.gz KQHHVBBXDSXCMA-SECBINFHSA-N -1 1 340.332 2.588 20 5 EFBDMM CCS(=O)(=O)c1ccc(O)c(Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC001210395406 1314325461 /nfs/dbraw/zinc/32/54/61/1314325461.db2.gz VQLGQSVXGGCEPV-UHFFFAOYSA-N -1 1 338.341 2.543 20 5 EFBDMM Cc1cnc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(Br)n1 ZINC001210393615 1314325479 /nfs/dbraw/zinc/32/54/79/1314325479.db2.gz WJEHYDDYKMNMIT-UHFFFAOYSA-N -1 1 325.122 2.905 20 5 EFBDMM NC(=O)c1cc(Cl)nc(Cl)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393690 1314325805 /nfs/dbraw/zinc/32/58/05/1314325805.db2.gz HFFXZIAMTYRHQR-UHFFFAOYSA-N -1 1 343.126 2.845 20 5 EFBDMM Nc1cc(Br)cc2c1cnn2-c1ccc([O-])c([N+](=O)[O-])c1 ZINC001210398065 1314326307 /nfs/dbraw/zinc/32/63/07/1314326307.db2.gz OVCDBZBAHWUHEB-UHFFFAOYSA-N -1 1 349.144 2.984 20 5 EFBDMM O=[N+]([O-])c1cc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)ccc1O ZINC001210398081 1314326632 /nfs/dbraw/zinc/32/66/32/1314326632.db2.gz PCRUCZSSJBXPEI-UHFFFAOYSA-N -1 1 344.732 2.944 20 5 EFBDMM Cn1c(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)nc2ccccc21 ZINC000780071055 1311051190 /nfs/dbraw/zinc/05/11/90/1311051190.db2.gz BUZIFQPFOJJOPX-UHFFFAOYSA-N -1 1 327.296 2.544 20 5 EFBDMM Cc1ccc(NC(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1F ZINC000780071513 1311059367 /nfs/dbraw/zinc/05/93/67/1311059367.db2.gz IEEXERUQTXZTNK-UHFFFAOYSA-N -1 1 348.286 2.543 20 5 EFBDMM O=C(OCCc1ccc([N+](=O)[O-])cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780075934 1311246786 /nfs/dbraw/zinc/24/67/86/1311246786.db2.gz QJABLJGQWLQDAG-UHFFFAOYSA-N -1 1 332.268 2.608 20 5 EFBDMM COC(=O)c1ccc([C@@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)o1 ZINC000780077250 1311266409 /nfs/dbraw/zinc/26/64/09/1311266409.db2.gz WDRPNOUWXPJEIW-MRVPVSSYSA-N -1 1 335.268 2.598 20 5 EFBDMM C[C@H](c1ccccn1)N1CC[C@@H](Oc2cccc([O-])c2[N+](=O)[O-])C1 ZINC001225621048 1311554875 /nfs/dbraw/zinc/55/48/75/1311554875.db2.gz ZZCLCYPXIGNMCM-CHWSQXEVSA-N -1 1 329.356 2.910 20 5 EFBDMM CC(=O)c1c(O)cc([O-])cc1O[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001225677328 1311563604 /nfs/dbraw/zinc/56/36/04/1311563604.db2.gz OJIZZCVZWUILSH-AWEZNQCLSA-N -1 1 329.308 2.755 20 5 EFBDMM C[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1c(Cl)cncc1Cl ZINC001228141086 1311906254 /nfs/dbraw/zinc/90/62/54/1311906254.db2.gz PAPZPEIDTQWXKF-YFKPBYRVSA-N -1 1 331.115 2.932 20 5 EFBDMM CCOC(=O)c1cnc(=S)[n-]c1O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001228552614 1311963633 /nfs/dbraw/zinc/96/36/33/1311963633.db2.gz NIUPKZNWOAYEMW-SECBINFHSA-N -1 1 349.368 2.990 20 5 EFBDMM C[C@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])C1CCOCC1 ZINC001228861100 1312011402 /nfs/dbraw/zinc/01/14/02/1312011402.db2.gz BHOBPHNPTVEVBI-ZETCQYMHSA-N -1 1 336.266 2.908 20 5 EFBDMM Cc1c([C@H](C)Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])cnn1C ZINC001228861145 1312011878 /nfs/dbraw/zinc/01/18/78/1312011878.db2.gz DAPCPQSDKGKODZ-ZETCQYMHSA-N -1 1 346.265 2.896 20 5 EFBDMM O=c1ccc2c(O[C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)cc([O-])cc2o1 ZINC001229130174 1312051195 /nfs/dbraw/zinc/05/11/95/1312051195.db2.gz WFQGPJPCHPZZPX-CQSZACIVSA-N -1 1 339.303 2.953 20 5 EFBDMM CC(C)(C)OC(=O)N1C[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])[C@@H](F)C1 ZINC001229397288 1312088992 /nfs/dbraw/zinc/08/89/92/1312088992.db2.gz GYPMMURHQVZFHA-GXFFZTMASA-N -1 1 342.323 2.637 20 5 EFBDMM CCOC(=O)[C@H](C)[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F ZINC001229398218 1312089017 /nfs/dbraw/zinc/08/90/17/1312089017.db2.gz ROOIZWNRHXWXFA-RDDDGLTNSA-N -1 1 337.250 2.809 20 5 EFBDMM CC[C@@H](Oc1cc2c(cc1O)c(=O)oc1cc([O-])ccc12)C(=O)OC ZINC001229805919 1312142903 /nfs/dbraw/zinc/14/29/03/1312142903.db2.gz PYOKIDPFCHZUMO-CQSZACIVSA-N -1 1 344.319 2.688 20 5 EFBDMM O=[N+]([O-])c1cc(F)cnc1-c1noc(Cc2ccc([O-])c(F)c2)n1 ZINC001247570181 1314803375 /nfs/dbraw/zinc/80/33/75/1314803375.db2.gz KWXPZMUCFWRJPT-UHFFFAOYSA-N -1 1 334.238 2.614 20 5 EFBDMM CCOc1ccc(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)c([O-])c1 ZINC001215241070 1314803871 /nfs/dbraw/zinc/80/38/71/1314803871.db2.gz FCHFSWBWCRHVPE-UHFFFAOYSA-N -1 1 346.274 2.950 20 5 EFBDMM COc1cc([N+](=O)[O-])cc(-c2nc3ccc(NC(C)=O)cc3[nH]2)c1[O-] ZINC001250819954 1315272613 /nfs/dbraw/zinc/27/26/13/1315272613.db2.gz NCOXNZJHYUBQDR-UHFFFAOYSA-N -1 1 342.311 2.811 20 5 EFBDMM COCCn1c2ccccc2nc1-c1cc([N+](=O)[O-])c(O)cc1[O-] ZINC001251088104 1315320249 /nfs/dbraw/zinc/32/02/49/1315320249.db2.gz VFYZJONWBGEMEA-UHFFFAOYSA-N -1 1 329.312 2.669 20 5 EFBDMM O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)c1ccc([O-])cc1O ZINC001337344506 1331564381 /nfs/dbraw/zinc/56/43/81/1331564381.db2.gz KJAZTOFXQQXFMX-UHFFFAOYSA-N -1 1 339.307 2.752 20 5 EFBDMM C[C@@H](C(=O)OCC(=O)c1ccc([O-])cc1O)c1cccc([N+](=O)[O-])c1 ZINC001343734642 1332374383 /nfs/dbraw/zinc/37/43/83/1332374383.db2.gz RSPUWGOHIJSCSP-SNVBAGLBSA-N -1 1 345.307 2.536 20 5 EFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2C=CCC2)c(Cl)cc1Cl ZINC000849428011 1335613480 /nfs/dbraw/zinc/61/34/80/1335613480.db2.gz OAQFCTIJXACWLK-ZETCQYMHSA-N -1 1 337.184 2.899 20 5 EFBDMM C[C@@H]1c2ccsc2CCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820825688 1428408650 /nfs/dbraw/zinc/40/86/50/1428408650.db2.gz BEQAYPQGMGQRFE-SECBINFHSA-N -1 1 342.384 2.960 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCCc1ccccc1 ZINC000823624957 1428441364 /nfs/dbraw/zinc/44/13/64/1428441364.db2.gz MKCBXTAQUUFZOD-UHFFFAOYSA-N -1 1 339.359 2.605 20 5 EFBDMM CC(C)(CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccncc1 ZINC000824157506 1429048716 /nfs/dbraw/zinc/04/87/16/1429048716.db2.gz HSYYJNUDIVWTCG-UHFFFAOYSA-N -1 1 339.359 2.560 20 5 EFBDMM CC(C)CCN(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820076501 1429077075 /nfs/dbraw/zinc/07/70/75/1429077075.db2.gz JZHCTCGNQMVKSN-UHFFFAOYSA-N -1 1 341.375 2.805 20 5 EFBDMM Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826263556 1429081534 /nfs/dbraw/zinc/08/15/34/1429081534.db2.gz HGAKIYYBHLRHOG-LLVKDONJSA-N -1 1 339.359 2.960 20 5 EFBDMM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000820461807 1429265221 /nfs/dbraw/zinc/26/52/21/1429265221.db2.gz RAHMOMJJCFLCTD-ZETCQYMHSA-N -1 1 347.285 2.621 20 5 EFBDMM O=[N+]([O-])c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000826499499 1429535274 /nfs/dbraw/zinc/53/52/74/1429535274.db2.gz KWYVLBNCUKBANS-UHFFFAOYSA-N -1 1 346.234 2.615 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1C[C@H]1C1CCCCC1 ZINC000823620950 1423319705 /nfs/dbraw/zinc/31/97/05/1423319705.db2.gz UOBVRKLJSXQLLX-NWDGAFQWSA-N -1 1 329.364 2.551 20 5 EFBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC2(CCCC2)CC1 ZINC000738357665 1423769599 /nfs/dbraw/zinc/76/95/99/1423769599.db2.gz IGOGXOHWPQRUHU-UHFFFAOYSA-N -1 1 328.376 2.936 20 5 EFBDMM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110269823 1423867346 /nfs/dbraw/zinc/86/73/46/1423867346.db2.gz ZVVQNSXRVPDBGB-UHFFFAOYSA-N -1 1 344.718 2.681 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000823621060 1424124067 /nfs/dbraw/zinc/12/40/67/1424124067.db2.gz WDDYOLJKFIHZCL-HBNTYKKESA-N -1 1 329.364 2.551 20 5 EFBDMM O=[N+]([O-])c1ccc(Oc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC000823644145 1424408810 /nfs/dbraw/zinc/40/88/10/1424408810.db2.gz GGAPPQJSEAJGHC-UHFFFAOYSA-N -1 1 346.234 2.615 20 5 EFBDMM COc1ccc(COc2ccc([N+](=O)[O-])cc2C)cc1-c1nnn[n-]1 ZINC000826207463 1424698106 /nfs/dbraw/zinc/69/81/06/1424698106.db2.gz OXHXPPLYEKQEKK-UHFFFAOYSA-N -1 1 341.327 2.671 20 5 EFBDMM Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2C)cccc1-c1nnn[n-]1 ZINC000822116002 1424801199 /nfs/dbraw/zinc/80/11/99/1424801199.db2.gz KEZQIJSLJLZHDU-UHFFFAOYSA-N -1 1 338.327 2.644 20 5 EFBDMM Cc1cc(Oc2c3ccccc3nnc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000737281395 1424976713 /nfs/dbraw/zinc/97/67/13/1424976713.db2.gz XLALHYORNQFGTA-UHFFFAOYSA-N -1 1 349.310 2.819 20 5 EFBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1ncccc1-c1nnn[n-]1 ZINC000822200951 1424980749 /nfs/dbraw/zinc/98/07/49/1424980749.db2.gz KOSWFGBOCNKDHE-UHFFFAOYSA-N -1 1 332.707 2.924 20 5 EFBDMM CC(C)[C@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000735750686 1425001719 /nfs/dbraw/zinc/00/17/19/1425001719.db2.gz RWFXORWHBQKWJX-QWRGUYRKSA-N -1 1 331.380 2.797 20 5 EFBDMM O=[N+]([O-])c1ccc(N2CC3(CC3)c3ccccc32)c(-c2nnn[n-]2)c1 ZINC000738368930 1425050000 /nfs/dbraw/zinc/05/00/00/1425050000.db2.gz FSAUNCHMCZIURS-UHFFFAOYSA-N -1 1 334.339 2.958 20 5 EFBDMM Cc1c(Cl)cnc(NCc2cccc([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000826240449 1425159893 /nfs/dbraw/zinc/15/98/93/1425159893.db2.gz TUCDIOSZVLDLMI-UHFFFAOYSA-N -1 1 345.750 2.744 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822270889 1425181878 /nfs/dbraw/zinc/18/18/78/1425181878.db2.gz BOCQQOSCTLCZQL-UHFFFAOYSA-N -1 1 338.327 2.644 20 5 EFBDMM C[C@H](CCc1cccn1C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000820253190 1425507811 /nfs/dbraw/zinc/50/78/11/1425507811.db2.gz GRVOHUMPARYRRZ-LLVKDONJSA-N -1 1 341.375 2.547 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cccc2ccccc21 ZINC000823625110 1425654071 /nfs/dbraw/zinc/65/40/71/1425654071.db2.gz PEYIBXVXRBQVEV-UHFFFAOYSA-N -1 1 347.338 2.935 20 5 EFBDMM Cc1ccc2c(c1)[C@@H](Nc1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])CO2 ZINC000822274592 1425699644 /nfs/dbraw/zinc/69/96/44/1425699644.db2.gz BZUCBIFGLOSKOZ-ZDUSSCGKSA-N -1 1 338.327 2.629 20 5 EFBDMM Cc1ccnc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC000737437800 1425720625 /nfs/dbraw/zinc/72/06/25/1425720625.db2.gz QWXLXUKOKXUPBY-JTQLQIEISA-N -1 1 325.332 2.651 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822270991 1425962717 /nfs/dbraw/zinc/96/27/17/1425962717.db2.gz HDRZCHGSXLDVTP-UHFFFAOYSA-N -1 1 344.356 2.706 20 5 EFBDMM Cc1ccc(C[C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)s1 ZINC000737335330 1426360796 /nfs/dbraw/zinc/36/07/96/1426360796.db2.gz SBZPMIWSOQPFHX-MRVPVSSYSA-N -1 1 345.388 2.583 20 5 EFBDMM O=[N+]([O-])c1ccc(NCC2(c3ccccc3)CC2)cc1-c1nnn[n-]1 ZINC000826498923 1426566025 /nfs/dbraw/zinc/56/60/25/1426566025.db2.gz OOERLKBSQFQBDR-UHFFFAOYSA-N -1 1 336.355 2.919 20 5 EFBDMM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738250393 1427091792 /nfs/dbraw/zinc/09/17/92/1427091792.db2.gz FKUKNWDNAOUUHF-UHFFFAOYSA-N -1 1 345.702 2.648 20 5 EFBDMM CC(C)(C)CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824080465 1427149764 /nfs/dbraw/zinc/14/97/64/1427149764.db2.gz XVMURNYVIUONCD-UHFFFAOYSA-N -1 1 338.755 2.803 20 5 EFBDMM O=[N+]([O-])c1ccc(Oc2ccc(-c3nnn[n-]3)nn2)c2ccccc21 ZINC000826499477 1427309412 /nfs/dbraw/zinc/30/94/12/1427309412.db2.gz KBLDBLZYFJRNDT-UHFFFAOYSA-N -1 1 335.283 2.510 20 5 EFBDMM Cc1cc(C)c([N+](=O)[O-])c(Oc2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826263956 1427410799 /nfs/dbraw/zinc/41/07/99/1427410799.db2.gz XNCNLYPYNXAWFD-UHFFFAOYSA-N -1 1 330.279 2.718 20 5 EFBDMM CC(C)(C)[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC000824080630 1427415950 /nfs/dbraw/zinc/41/59/50/1427415950.db2.gz YSEPJPQWKVGIAZ-SMDDNHRTSA-N -1 1 346.391 2.781 20 5 EFBDMM C[C@H](NCc1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824619242 1427940521 /nfs/dbraw/zinc/94/05/21/1427940521.db2.gz VQARRRIALLOTTL-JTQLQIEISA-N -1 1 342.334 2.765 20 5 EFBDMM Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2F)ccc1[N+](=O)[O-] ZINC000822209426 1429951190 /nfs/dbraw/zinc/95/11/90/1429951190.db2.gz IQSAFZSSDUKGRU-UHFFFAOYSA-N -1 1 328.307 2.835 20 5 EFBDMM COc1cc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000821719415 1430141422 /nfs/dbraw/zinc/14/14/22/1430141422.db2.gz DRFXMSVEEJNXOJ-JTQLQIEISA-N -1 1 340.343 2.957 20 5 EFBDMM C[C@H]1CC[C@H](C)N1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824907214 1430239671 /nfs/dbraw/zinc/23/96/71/1430239671.db2.gz GUGNFNNIUHVUOX-UWVGGRQHSA-N -1 1 339.359 2.700 20 5 EFBDMM O=[N+]([O-])c1cnc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c(-c2nnn[n-]2)c1 ZINC000823652197 1441581103 /nfs/dbraw/zinc/58/11/03/1441581103.db2.gz WLQPDBVTSMSIDE-IJLUTSLNSA-N -1 1 343.391 2.941 20 5 EFBDMM CCCN(C[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736469974 1441812493 /nfs/dbraw/zinc/81/24/93/1441812493.db2.gz HJJZDFURQRGGIJ-ZDUSSCGKSA-N -1 1 346.391 2.560 20 5 EFBDMM CO[C@@H](C)c1cccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821673429 1441835007 /nfs/dbraw/zinc/83/50/07/1441835007.db2.gz AXCDORVVWYAMLN-VIFPVBQESA-N -1 1 341.331 2.621 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000823621059 1441849919 /nfs/dbraw/zinc/84/99/19/1441849919.db2.gz WDDYOLJKFIHZCL-GMTAPVOTSA-N -1 1 329.364 2.551 20 5 EFBDMM O=[N+]([O-])c1ccc2nc(N3CCCCCC3)cc(-c3nnn[n-]3)c2c1 ZINC000738367009 1441959308 /nfs/dbraw/zinc/95/93/08/1441959308.db2.gz NAHUMAPYVVKEQH-UHFFFAOYSA-N -1 1 339.359 2.704 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC2(CCCCC2)CC1 ZINC000823620085 1442066198 /nfs/dbraw/zinc/06/61/98/1442066198.db2.gz HSPHZMFPHHRATA-UHFFFAOYSA-N -1 1 343.391 2.721 20 5 EFBDMM C[C@H](NCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824617720 1442200302 /nfs/dbraw/zinc/20/03/02/1442200302.db2.gz JUQYFPXNSCIUFO-JTQLQIEISA-N -1 1 342.334 2.765 20 5 EFBDMM C[C@H](NCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824617720 1442200307 /nfs/dbraw/zinc/20/03/07/1442200307.db2.gz JUQYFPXNSCIUFO-JTQLQIEISA-N -1 1 342.334 2.765 20 5 EFBDMM CCOc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000825616168 1443080690 /nfs/dbraw/zinc/08/06/90/1443080690.db2.gz YRBRRQOZPKURGV-UHFFFAOYSA-N -1 1 327.300 2.966 20 5 EFBDMM CN(CC1CCC1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821596388 1443084733 /nfs/dbraw/zinc/08/47/33/1443084733.db2.gz IOHTZWWEGNEPFW-UHFFFAOYSA-N -1 1 339.359 2.559 20 5 EFBDMM CC(C)CSCCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824276085 1443110069 /nfs/dbraw/zinc/11/00/69/1443110069.db2.gz ZQTCLLQSRRPSCV-UHFFFAOYSA-N -1 1 336.421 2.966 20 5 EFBDMM CSc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000821984651 1443225491 /nfs/dbraw/zinc/22/54/91/1443225491.db2.gz RALAIXRXWSOTQK-UHFFFAOYSA-N -1 1 329.345 2.635 20 5 EFBDMM Cc1c(COc2ccc(-c3nnn[n-]3)c(F)c2)cccc1[N+](=O)[O-] ZINC000737215872 1443244443 /nfs/dbraw/zinc/24/44/43/1443244443.db2.gz MPBWBAPPLYBPCU-UHFFFAOYSA-N -1 1 329.291 2.801 20 5 EFBDMM CCc1cc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1C ZINC000825700614 1443306736 /nfs/dbraw/zinc/30/67/36/1443306736.db2.gz MQQTVIUFBFLVFX-UHFFFAOYSA-N -1 1 325.332 2.784 20 5 EFBDMM CCS[C@@H]1CCC[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821453950 1443338440 /nfs/dbraw/zinc/33/84/40/1443338440.db2.gz BWTQOGGEPLNQOU-DGCLKSJQSA-N -1 1 334.405 2.861 20 5 EFBDMM C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1F ZINC000824626702 1443474597 /nfs/dbraw/zinc/47/45/97/1443474597.db2.gz RXDRNBKEWLXCMP-SNVBAGLBSA-N -1 1 342.334 2.765 20 5 EFBDMM COc1ccc(-c2nnn[n-]2)cc1N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000821765362 1443516066 /nfs/dbraw/zinc/51/60/66/1443516066.db2.gz BFLAFONJSURISO-JTQLQIEISA-N -1 1 340.343 2.957 20 5 EFBDMM CCO[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C12CCC2 ZINC000736613214 1443531925 /nfs/dbraw/zinc/53/19/25/1443531925.db2.gz RPPOZSXQXJLEGL-ZIAGYGMSSA-N -1 1 344.375 2.535 20 5 EFBDMM O=[N+]([O-])c1ccc(Oc2cccc(-n3ccnc3)c2)c(-c2nnn[n-]2)c1 ZINC000738366737 1443725407 /nfs/dbraw/zinc/72/54/07/1443725407.db2.gz JHUVWMSMZLQBDN-UHFFFAOYSA-N -1 1 349.310 2.753 20 5 EFBDMM COc1cc(-c2nnn[n-]2)ccc1OCc1c(F)cccc1[N+](=O)[O-] ZINC000737032591 1443741290 /nfs/dbraw/zinc/74/12/90/1443741290.db2.gz OIYBJQOZPXXKOQ-UHFFFAOYSA-N -1 1 345.290 2.502 20 5 EFBDMM Cc1ccc([N+](=O)[O-])c(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822271184 1443811732 /nfs/dbraw/zinc/81/17/32/1443811732.db2.gz PTCQOILWAPNNLY-JTQLQIEISA-N -1 1 325.332 2.651 20 5 EFBDMM O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]2C2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000823650824 1443907948 /nfs/dbraw/zinc/90/79/48/1443907948.db2.gz BOHIZCPRSGDGSN-WCQYABFASA-N -1 1 329.364 2.551 20 5 EFBDMM C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1cccc([N+](=O)[O-])c1 ZINC000820456897 1443916892 /nfs/dbraw/zinc/91/68/92/1443916892.db2.gz WYVAPSFFHKFWQN-MRVPVSSYSA-N -1 1 345.750 2.996 20 5 EFBDMM CN(Cc1ccc(F)cc1-c1nnn[n-]1)Cc1ccccc1[N+](=O)[O-] ZINC000736819125 1443963838 /nfs/dbraw/zinc/96/38/38/1443963838.db2.gz IJWUHLYKWXUSMP-UHFFFAOYSA-N -1 1 342.334 2.546 20 5 EFBDMM C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824618605 1446173249 /nfs/dbraw/zinc/17/32/49/1446173249.db2.gz QCBGOARYUXTNNI-JTQLQIEISA-N -1 1 342.334 2.765 20 5 EFBDMM O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738176407 1446384382 /nfs/dbraw/zinc/38/43/82/1446384382.db2.gz ZTBOATJHJNLTGW-UHFFFAOYSA-N -1 1 344.718 2.681 20 5 EFBDMM CC(C)[C@@H]1OCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820051905 1446632550 /nfs/dbraw/zinc/63/25/50/1446632550.db2.gz XNWLVWAGTLWEEQ-ABAIWWIYSA-N -1 1 346.391 2.638 20 5 EFBDMM CC(C)(C)[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000824077421 1446980129 /nfs/dbraw/zinc/98/01/29/1446980129.db2.gz BDVZZSWGWLXJAM-QMTHXVAHSA-N -1 1 346.391 2.781 20 5 EFBDMM CC(C)OC1CCC(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000824308998 1447056975 /nfs/dbraw/zinc/05/69/75/1447056975.db2.gz DHMFWNVPGQTJQQ-UHFFFAOYSA-N -1 1 346.391 2.923 20 5 EFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@@H]1c1cccs1 ZINC000823620887 1447268176 /nfs/dbraw/zinc/26/81/76/1447268176.db2.gz RYRFWHVIPBNIIY-SNVBAGLBSA-N -1 1 343.372 2.573 20 5 EFBDMM Cc1cc2c(cc1[N+](=O)[O-])N(Cc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000826273220 1449214304 /nfs/dbraw/zinc/21/43/04/1449214304.db2.gz USCUUAOUQGTACY-UHFFFAOYSA-N -1 1 336.355 2.646 20 5 EFBDMM C[C@@H]1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)C1 ZINC000824917909 1449400284 /nfs/dbraw/zinc/40/02/84/1449400284.db2.gz PDYJZDXFEPGWGD-BZNIZROVSA-N -1 1 328.376 2.791 20 5 EFBDMM CC1(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCC1 ZINC000820623398 1449514211 /nfs/dbraw/zinc/51/42/11/1449514211.db2.gz OPJXKFAINFJPGK-UHFFFAOYSA-N -1 1 339.359 2.925 20 5 EFBDMM C[C@H](OC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512492 1449705093 /nfs/dbraw/zinc/70/50/93/1449705093.db2.gz LNMMVQGUKMFYMR-QMMMGPOBSA-N -1 1 345.340 2.754 20 5 EFBDMM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@H]1CC=CCC1 ZINC000826450584 1449716378 /nfs/dbraw/zinc/71/63/78/1449716378.db2.gz SGXPBLMVGKLVLW-QMMMGPOBSA-N -1 1 348.750 2.723 20 5 EFBDMM O=[N+]([O-])c1cnc(NCc2ccc(F)c(Cl)c2)c(-c2nnn[n-]2)c1 ZINC000738373661 1449767732 /nfs/dbraw/zinc/76/77/32/1449767732.db2.gz FFSWYJSCWOZNOG-UHFFFAOYSA-N -1 1 349.713 2.575 20 5 EFBDMM CCO[C@@H](CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)C ZINC000821350876 1449792423 /nfs/dbraw/zinc/79/24/23/1449792423.db2.gz FSPQIOKQICJTSL-AWEZNQCLSA-N -1 1 334.380 2.638 20 5 EFBDMM CCO[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C12CCC2 ZINC000825583524 1449802693 /nfs/dbraw/zinc/80/26/93/1449802693.db2.gz VDHOENMHAOMXDS-KBPBESRZSA-N -1 1 344.375 2.535 20 5 EFBDMM C[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736237159 1449860261 /nfs/dbraw/zinc/86/02/61/1449860261.db2.gz NSOVGXGTSBAJRE-GYSYKLTISA-N -1 1 328.376 2.932 20 5 EFBDMM O=[N+]([O-])c1cccc2c1ccn2Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000738369861 1449938048 /nfs/dbraw/zinc/93/80/48/1449938048.db2.gz QAIYFRHYKIIEOE-UHFFFAOYSA-N -1 1 338.302 2.917 20 5 EFBDMM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1cccc(-c2nnn[n-]2)c1 ZINC000820814789 1449981119 /nfs/dbraw/zinc/98/11/19/1449981119.db2.gz YLLOSTQZAGKEQN-LLVKDONJSA-N -1 1 336.355 2.726 20 5 EFBDMM COc1cc(-c2nnn[n-]2)ccc1CNc1cc([N+](=O)[O-])ccc1C ZINC000826170786 1449986465 /nfs/dbraw/zinc/98/64/65/1449986465.db2.gz PGBORLVKTLNGPT-UHFFFAOYSA-N -1 1 340.343 2.704 20 5 EFBDMM Cc1cccc(OS(=O)(=O)c2cnc(C(C)C)[n-]2)c1[N+](=O)[O-] ZINC000134187516 714128397 /nfs/dbraw/zinc/12/83/97/714128397.db2.gz KBINYYBNCBFZPP-UHFFFAOYSA-N -1 1 325.346 2.517 20 5 EFBDMM Cc1cccc(OS(=O)(=O)c2c[n-]c(C(C)C)n2)c1[N+](=O)[O-] ZINC000134187516 714128400 /nfs/dbraw/zinc/12/84/00/714128400.db2.gz KBINYYBNCBFZPP-UHFFFAOYSA-N -1 1 325.346 2.517 20 5 EFBDMM CS[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC000866886138 719763732 /nfs/dbraw/zinc/76/37/32/719763732.db2.gz XQHKAJASZDJQTQ-UWVGGRQHSA-N -1 1 348.421 2.605 20 5 EFBDMM Nc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000007357287 723434617 /nfs/dbraw/zinc/43/46/17/723434617.db2.gz JZOKWRVWJBMOQF-UHFFFAOYSA-N -1 1 327.749 2.631 20 5 EFBDMM COc1cccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000727350018 723944440 /nfs/dbraw/zinc/94/44/40/723944440.db2.gz PSQQIPFMKWOXJR-UHFFFAOYSA-N -1 1 326.305 2.543 20 5 EFBDMM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CC1 ZINC000798225163 725024671 /nfs/dbraw/zinc/02/46/71/725024671.db2.gz OLLOKLHLRBRKEA-ZCFIWIBFSA-N -1 1 339.200 2.978 20 5 EFBDMM CC[C@H](CSC)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000181618149 729095302 /nfs/dbraw/zinc/09/53/02/729095302.db2.gz HOESCQKEYWMIOU-SECBINFHSA-N -1 1 338.838 2.668 20 5 EFBDMM CCNC(=O)c1cc(Cl)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000731476732 726875419 /nfs/dbraw/zinc/87/54/19/726875419.db2.gz LDFIMNCLQRUSJE-UHFFFAOYSA-N -1 1 336.735 2.578 20 5 EFBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1F ZINC000055555687 727945551 /nfs/dbraw/zinc/94/55/51/727945551.db2.gz ZPLJBZRWLNPEEC-UHFFFAOYSA-N -1 1 328.296 2.982 20 5 EFBDMM C[C@H](CN(C)Cc1cc(Br)c([N+](=O)[O-])s1)C(=O)[O-] ZINC000901595761 728019877 /nfs/dbraw/zinc/01/98/77/728019877.db2.gz BXSMEEVFLGSNSQ-ZCFIWIBFSA-N -1 1 337.195 2.571 20 5 EFBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cnc1Br ZINC000228840331 728445508 /nfs/dbraw/zinc/44/55/08/728445508.db2.gz BMIOUKDSMLHFCQ-UHFFFAOYSA-N -1 1 325.122 2.641 20 5 EFBDMM