smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1CCN(c2nn3c(=O)c4c5c(sc4nc3c3ccccc32)CCCCC5)CC1 ZINC000003267632 132263915 /nfs/dbraw/zinc/26/39/15/132263915.db2.gz MWWYTOVVZHSAEM-UHFFFAOYSA-N 0 0 418.566 4.963 50 5 HJBARN COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000003625232 132267305 /nfs/dbraw/zinc/26/73/05/132267305.db2.gz IJRURWPNDILRCB-GLBTYYSXSA-N 0 0 401.422 4.715 50 5 HJBARN CCc1ccc(NC(=O)c2ccc(N3CCc4ccccc4C3)c([N+](=O)[O-])c2)cc1 ZINC000004668221 132281561 /nfs/dbraw/zinc/28/15/61/132281561.db2.gz KKSXBHOENQEYEU-UHFFFAOYSA-N 0 0 401.466 4.972 50 5 HJBARN CC(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1 ZINC000004740979 132286699 /nfs/dbraw/zinc/28/66/99/132286699.db2.gz XLKVLRRKUDLRBK-UHFFFAOYSA-N 0 0 421.419 4.699 50 5 HJBARN CCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1[N+](=O)[O-] ZINC000005027972 132298781 /nfs/dbraw/zinc/29/87/81/132298781.db2.gz SUMXDKDPDQFUNT-UHFFFAOYSA-N 0 0 403.866 4.890 50 5 HJBARN O=C(Cc1ccccc1[N+](=O)[O-])OCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000011469337 132348219 /nfs/dbraw/zinc/34/82/19/132348219.db2.gz FOWQJQWGYBCPKH-UHFFFAOYSA-N 0 0 420.446 4.510 50 5 HJBARN COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000033668118 132791055 /nfs/dbraw/zinc/79/10/55/132791055.db2.gz IJRURWPNDILRCB-QKWZMAAQSA-N 0 0 401.422 4.715 50 5 HJBARN COc1cc(C(=O)Nc2cc(C)on2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000032781012 522150696 /nfs/dbraw/zinc/15/06/96/522150696.db2.gz VWBJVNLOKHWREW-UHFFFAOYSA-N 0 0 403.778 4.598 50 5 HJBARN COc1ccc(C(=O)c2c3nc(C)n4c5ccccc5nc4c3c3ccccn32)cc1 ZINC000031848409 523779902 /nfs/dbraw/zinc/77/99/02/523779902.db2.gz JTLXFFIVHPQOHV-UHFFFAOYSA-N 0 0 406.445 4.836 50 5 HJBARN O=C(Nc1nnc(SCc2ccccc2Cl)s1)c1ccc([N+](=O)[O-])cc1 ZINC000004328684 558260582 /nfs/dbraw/zinc/26/05/82/558260582.db2.gz HQMDOJHTBIZUGC-UHFFFAOYSA-N 0 0 406.876 4.644 50 5 HJBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000010847415 558494734 /nfs/dbraw/zinc/49/47/34/558494734.db2.gz WLGCTFBQXZNIAJ-UHFFFAOYSA-N 0 0 422.407 4.573 50 5 HJBARN Nc1c(Cl)cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1Cl ZINC000014899256 558678223 /nfs/dbraw/zinc/67/82/23/558678223.db2.gz FZKRBTWHQQUBNK-UHFFFAOYSA-N 0 0 412.276 4.682 50 5 HJBARN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000004608065 558837758 /nfs/dbraw/zinc/83/77/58/558837758.db2.gz BNUDSZQBSNDKHD-UHFFFAOYSA-N 0 0 401.831 4.635 50 5 HJBARN Cc1ccc(F)cc1-n1c(=O)c2ccccc2nc1/C=C/c1cccc([N+](=O)[O-])c1 ZINC000004659479 558872934 /nfs/dbraw/zinc/87/29/34/558872934.db2.gz CWPCFYZZZGEPKO-ZRDIBKRKSA-N 0 0 401.397 4.912 50 5 HJBARN COc1ccc(CNc2ccc(C(=O)Nc3cc(F)cc(F)c3)cc2[N+](=O)[O-])cc1 ZINC000004668107 558878064 /nfs/dbraw/zinc/87/80/64/558878064.db2.gz GBSCAVKHEYJXKB-UHFFFAOYSA-N 0 0 413.380 4.746 50 5 HJBARN Cc1ccc(CSc2nnc(NC(=O)/C=C\c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000096600557 558980673 /nfs/dbraw/zinc/98/06/73/558980673.db2.gz OOPGUYBSGXCJCE-KHPPLWFESA-N 0 0 412.496 4.699 50 5 HJBARN O=C(CNc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H](c1cccs1)c1ccccc1 ZINC000011256177 559015005 /nfs/dbraw/zinc/01/50/05/559015005.db2.gz JRRTVFNAJGEUSD-IBGZPJMESA-N 0 0 401.875 4.627 50 5 HJBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C[C@H](c1ccc(Cl)cc1)OC2=O ZINC000011690493 559178510 /nfs/dbraw/zinc/17/85/10/559178510.db2.gz WSLXIEKDCQBZHQ-HXUWFJFHSA-N 0 0 422.824 4.955 50 5 HJBARN O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004868271 559193862 /nfs/dbraw/zinc/19/38/62/559193862.db2.gz NDVUIZIHVQOUFB-UHFFFAOYSA-N 0 0 411.792 4.702 50 5 HJBARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000004903841 559199437 /nfs/dbraw/zinc/19/94/37/559199437.db2.gz YZVDAEOUDJDXSK-UHFFFAOYSA-N 0 0 412.471 4.673 50 5 HJBARN Cc1ccc(Cn2c(C)nc3c(c4nc5ccccc5nc4n3CC(C)C)c2=O)cc1 ZINC000005066085 559239850 /nfs/dbraw/zinc/23/98/50/559239850.db2.gz DRDVUMXYZOOZPZ-UHFFFAOYSA-N 0 0 411.509 4.616 50 5 HJBARN Cc1ccc([C@H]2Cc3cc(C(=O)Nc4ccc(C)cc4[N+](=O)[O-])ccc3C(=O)O2)cc1 ZINC000012274524 568457377 /nfs/dbraw/zinc/45/73/77/568457377.db2.gz PEYLZHJKKSJYPO-JOCHJYFZSA-N 0 0 416.433 4.918 50 5 HJBARN O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1cccc(OCc2ccccc2)c1 ZINC000000655485 568459452 /nfs/dbraw/zinc/45/94/52/568459452.db2.gz BRZJYCIJQPLGKT-FYJGNVAPSA-N 0 0 400.390 4.518 50 5 HJBARN COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4C)nc3c2)cc1[N+](=O)[O-] ZINC000000675457 568460740 /nfs/dbraw/zinc/46/07/40/568460740.db2.gz NDVJOQSUNZQSLI-UHFFFAOYSA-N 0 0 403.394 4.972 50 5 HJBARN Cc1ccc(C(=O)Nc2ccc3nn(-c4cccc(Cl)c4)nc3c2)cc1[N+](=O)[O-] ZINC000000830153 568503701 /nfs/dbraw/zinc/50/37/01/568503701.db2.gz MLLMCTRDPGNXAE-UHFFFAOYSA-N 0 0 407.817 4.543 50 5 HJBARN Cc1cc(O[C@H](C)C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc(C)c1Cl ZINC000000935627 568750871 /nfs/dbraw/zinc/75/08/71/568750871.db2.gz LLYNUQFLGROQCV-LLVKDONJSA-N 0 0 405.863 4.881 50 5 HJBARN Cn1c2ccccc2c([C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)c1-c1ccccc1 ZINC000000946567 568754631 /nfs/dbraw/zinc/75/46/31/568754631.db2.gz WOVGFUUROXBSNL-IBGZPJMESA-N 0 0 400.434 4.983 50 5 HJBARN Cc1ccc(C)c(N[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)c1 ZINC000000971156 568758914 /nfs/dbraw/zinc/75/89/14/568758914.db2.gz AKBOHCFFEVFRSD-MRXNPFEDSA-N 0 0 416.692 4.750 50 5 HJBARN Cc1cc(-c2nnc(COc3ccc4c(c3C)OC(C)(C)CC4=O)o2)ccc1[N+](=O)[O-] ZINC000001043303 568764419 /nfs/dbraw/zinc/76/44/19/568764419.db2.gz KKFCZSFXSXKYEK-UHFFFAOYSA-N 0 0 423.425 4.584 50 5 HJBARN O=C(NC(=O)N1CCCC1)c1ccc(Oc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 ZINC000001047339 568764602 /nfs/dbraw/zinc/76/46/02/568764602.db2.gz LCBUHJSJFZWBOU-UHFFFAOYSA-N 0 0 424.240 4.640 50 5 HJBARN O=C(Oc1ccc(Br)cc1C1SCCS1)c1ccc([N+](=O)[O-])o1 ZINC000001047303 568764637 /nfs/dbraw/zinc/76/46/37/568764637.db2.gz SHARKSLBDUKLFW-UHFFFAOYSA-N 0 0 416.274 4.648 50 5 HJBARN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000001112662 568770562 /nfs/dbraw/zinc/77/05/62/568770562.db2.gz LHEFGDKSMKUXDE-UHFFFAOYSA-N 0 0 413.393 4.636 50 5 HJBARN Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@]3(C)C2=O)cc1[N+](=O)[O-] ZINC000001116946 568770836 /nfs/dbraw/zinc/77/08/36/568770836.db2.gz CKMXCPOHWRRDDI-SHZLTDHESA-N 0 0 424.456 4.690 50 5 HJBARN Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@]3(C)C2=O)cc1[N+](=O)[O-] ZINC000001116951 568770840 /nfs/dbraw/zinc/77/08/40/568770840.db2.gz CKMXCPOHWRRDDI-CBGCIVQGSA-N 0 0 424.456 4.690 50 5 HJBARN COc1ccccc1OCC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001121766 568771141 /nfs/dbraw/zinc/77/11/41/568771141.db2.gz VPULVUXKCORRPF-UHFFFAOYSA-N 0 0 410.451 4.772 50 5 HJBARN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000001134636 568773301 /nfs/dbraw/zinc/77/33/01/568773301.db2.gz DARQWJCDVGXSBI-UHFFFAOYSA-N 0 0 418.434 4.709 50 5 HJBARN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000002632032 568791077 /nfs/dbraw/zinc/79/10/77/568791077.db2.gz YDNBJSFJTZVCOI-UHFFFAOYSA-N 0 0 407.423 4.727 50 5 HJBARN Cc1ccc(OCc2ccc(C(=O)NCc3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 ZINC000002762731 568807027 /nfs/dbraw/zinc/80/70/27/568807027.db2.gz UPAGNGOEIDOQQZ-UHFFFAOYSA-N 0 0 400.818 4.659 50 5 HJBARN Cc1nn(Cc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002796515 568809432 /nfs/dbraw/zinc/80/94/32/568809432.db2.gz DBJWOBWJCCPYPW-UHFFFAOYSA-N 0 0 418.375 4.728 50 5 HJBARN COc1ccc([N+](=O)[O-])cc1COc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000001172034 568818797 /nfs/dbraw/zinc/81/87/97/568818797.db2.gz GNDWQUATAISNGY-UHFFFAOYSA-N 0 0 403.390 4.956 50 5 aggregator HJBARN O=C(NCc1ccccc1Cl)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1 ZINC000002970396 568831735 /nfs/dbraw/zinc/83/17/35/568831735.db2.gz AJCWPTMTEPWVSI-UHFFFAOYSA-N 0 0 418.909 4.908 50 5 HJBARN CC(C)(C)c1ccc(NC(=O)COc2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 ZINC000012521518 568841892 /nfs/dbraw/zinc/84/18/92/568841892.db2.gz FYYFOZFGAFFCCJ-UHFFFAOYSA-N 0 0 400.478 4.996 50 5 HJBARN CCCCOc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)cc1 ZINC000003065105 568853260 /nfs/dbraw/zinc/85/32/60/568853260.db2.gz VWXCWOKTNJFBKX-WQRHYEAKSA-N 0 0 400.818 4.772 50 5 HJBARN COc1ccc([C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2nccn2C)cc1 ZINC000012551763 568853889 /nfs/dbraw/zinc/85/38/89/568853889.db2.gz ZTHIYVSZPYDWHU-QGZVFWFLSA-N 0 0 406.364 4.557 50 5 HJBARN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000230209881 568854937 /nfs/dbraw/zinc/85/49/37/568854937.db2.gz NJTBPTINBLYOMG-SXGZJXTBSA-N 0 0 423.494 4.709 50 5 HJBARN COc1ccc(OC)c(NC(=O)c2sccc2Oc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000003128446 568857255 /nfs/dbraw/zinc/85/72/55/568857255.db2.gz NLIWJGYONHBXAV-UHFFFAOYSA-N 0 0 418.402 4.857 50 5 HJBARN O=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000003184349 568860136 /nfs/dbraw/zinc/86/01/36/568860136.db2.gz GFIJYGPVTWXAQN-IBGZPJMESA-N 0 0 411.255 4.877 50 5 HJBARN O=C(N[C@@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000001232868 568880908 /nfs/dbraw/zinc/88/09/08/568880908.db2.gz ITACKRSNGALVGA-CQSZACIVSA-N 0 0 423.083 4.786 50 5 HJBARN COCCCn1c(C)cc(C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c1C ZINC000003414340 568898755 /nfs/dbraw/zinc/89/87/55/568898755.db2.gz NKFGSJOVMNKTGC-UHFFFAOYSA-N 0 0 419.528 4.634 50 5 HJBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000004109793 568944049 /nfs/dbraw/zinc/94/40/49/568944049.db2.gz MFQADLNELKOIOB-RMKNXTFCSA-N 0 0 405.376 4.866 50 5 HJBARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000004177239 568948151 /nfs/dbraw/zinc/94/81/51/568948151.db2.gz RMKPVCUPXRAUOI-JTHBVZDNSA-N 0 0 401.422 4.846 50 5 HJBARN Cc1cccc(C)c1-n1c(N)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc1=S ZINC000004192364 568950463 /nfs/dbraw/zinc/95/04/63/568950463.db2.gz XANNAJHYXLGJRE-UHFFFAOYSA-N 0 0 400.485 4.628 50 5 HJBARN O=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccccc1Br ZINC000012779208 568956493 /nfs/dbraw/zinc/95/64/93/568956493.db2.gz UMKOTZLOMKJPGY-UHFFFAOYSA-N 0 0 414.215 4.797 50 5 HJBARN Cc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccccc3[N+](=O)[O-])nc21 ZINC000004273224 568957732 /nfs/dbraw/zinc/95/77/32/568957732.db2.gz AQTULIRFPZZOTP-UHFFFAOYSA-N 0 0 404.451 4.755 50 5 HJBARN Cc1ccc(NC(=O)COc2ccc(Br)cc2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000004290134 568958799 /nfs/dbraw/zinc/95/87/99/568958799.db2.gz XCXMCQNBAYGJJS-UHFFFAOYSA-N 0 0 421.291 4.981 50 5 HJBARN Cc1ccc2nc(NC(=O)[C@H]3CCCN3Sc3ccccc3[N+](=O)[O-])sc2c1 ZINC000001445597 568968665 /nfs/dbraw/zinc/96/86/65/568968665.db2.gz AEGBJONAPLVDKL-OAHLLOKOSA-N 0 0 414.512 4.623 50 5 HJBARN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008104453 568973850 /nfs/dbraw/zinc/97/38/50/568973850.db2.gz BWJGOUSGQVSDIQ-GFCCVEGCSA-N 0 0 401.875 4.878 50 5 HJBARN Cc1nc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n(CC(C)C)c1C ZINC000008135919 568977027 /nfs/dbraw/zinc/97/70/27/568977027.db2.gz MOHIIASHTLYNHU-CYBMUJFWSA-N 0 0 410.927 4.837 50 5 HJBARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001474761 568993019 /nfs/dbraw/zinc/99/30/19/568993019.db2.gz AJPQQZMSMWZYBZ-UHFFFAOYSA-N 0 0 419.462 4.595 50 5 HJBARN O=[N+]([O-])c1cccc(-c2cs/c(=N\c3cc(Cl)ccc3Cl)n2CCO)c1 ZINC000015931241 569022960 /nfs/dbraw/zinc/02/29/60/569022960.db2.gz FACNDMUTQDGZGX-JZJYNLBNSA-N 0 0 410.282 4.656 50 5 HJBARN Cc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000012921176 569023230 /nfs/dbraw/zinc/02/32/30/569023230.db2.gz RLTNEMBPUNRPLF-HXUWFJFHSA-N 0 0 413.524 4.612 50 5 HJBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCc2sccc2[C@@H]1c1ccccc1 ZINC000012928128 569024088 /nfs/dbraw/zinc/02/40/88/569024088.db2.gz FHUJUIBQAOJWIY-QFIPXVFZSA-N 0 0 407.495 4.551 50 5 HJBARN Cc1ccc(COc2ccc(/C=C3/N=C(c4cccc([N+](=O)[O-])c4)OC3=O)cc2)cc1 ZINC000002061022 569073461 /nfs/dbraw/zinc/07/34/61/569073461.db2.gz JZHWHFUUTCDFAE-LPYMAVHISA-N 0 0 414.417 4.827 50 5 HJBARN Cc1c(C(=O)NCC(C)C)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])c(C)c1 ZINC000036009300 569076235 /nfs/dbraw/zinc/07/62/35/569076235.db2.gz CZRIVKRDJOZJEQ-UHFFFAOYSA-N 0 0 422.485 4.884 50 5 HJBARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000239403097 569233513 /nfs/dbraw/zinc/23/35/13/569233513.db2.gz RMKPVCUPXRAUOI-GMAHTHKFSA-N 0 0 401.422 4.846 50 5 HJBARN COc1ccc(SCCCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000010217946 569253610 /nfs/dbraw/zinc/25/36/10/569253610.db2.gz VRNLXNONLVDHFH-UHFFFAOYSA-N 0 0 403.485 4.724 50 5 HJBARN C[C@H](Sc1nc2ccccc2c2nc3ccccc3n21)C(=O)NCc1cccs1 ZINC000016822021 569263688 /nfs/dbraw/zinc/26/36/88/569263688.db2.gz FRAWVFUKKQQHJJ-AWEZNQCLSA-N 0 0 418.547 4.894 50 5 HJBARN Cc1c(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)sc2nc(-c3ccc(F)cc3)cn12 ZINC000016992460 569270588 /nfs/dbraw/zinc/27/05/88/569270588.db2.gz MJARPJDSZJOFCI-UHFFFAOYSA-N 0 0 414.393 4.810 50 5 HJBARN O=C(Nc1ccc([N+](=O)[O-])cn1)c1sc2cc(Br)ccc2c1Cl ZINC000017089372 569273510 /nfs/dbraw/zinc/27/35/10/569273510.db2.gz WQPAFYCQHIIHPC-UHFFFAOYSA-N 0 0 412.652 4.873 50 5 HJBARN CCCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc2c1CCC2 ZINC000002090176 569277955 /nfs/dbraw/zinc/27/79/55/569277955.db2.gz RXMOCZHVRQSTGC-UHFFFAOYSA-N 0 0 408.863 4.618 50 5 HJBARN O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(Cl)cc3Cl)CC2)c(Cl)c1 ZINC000575444399 569277942 /nfs/dbraw/zinc/27/79/42/569277942.db2.gz VKRXNXZHBCQBHZ-UHFFFAOYSA-N 0 0 400.693 4.877 50 5 HJBARN O=C(Cc1ccc(NCc2cc([N+](=O)[O-])ccc2Cl)cc1)NCc1ccccc1 ZINC000037554856 569306236 /nfs/dbraw/zinc/30/62/36/569306236.db2.gz CHXSUPNZMKQUND-UHFFFAOYSA-N 0 0 409.873 4.719 50 5 HJBARN CC(C)(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000007759335 569307294 /nfs/dbraw/zinc/30/72/94/569307294.db2.gz BGPSYJZIJKJUAN-UHFFFAOYSA-N 0 0 414.849 4.739 50 5 HJBARN O=C(c1ccco1)N(c1ccc(F)cc1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000037580705 569308143 /nfs/dbraw/zinc/30/81/43/569308143.db2.gz WXZJZFTVUZMTGM-UHFFFAOYSA-N 0 0 423.444 4.638 50 5 HJBARN Cc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccn2)cc1 ZINC000002226370 569312976 /nfs/dbraw/zinc/31/29/76/569312976.db2.gz SJWFJOPZMVVSQD-UHFFFAOYSA-N 0 0 403.467 4.838 50 5 HJBARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000036352119 569357959 /nfs/dbraw/zinc/35/79/59/569357959.db2.gz RMKPVCUPXRAUOI-GGAORHGYSA-N 0 0 401.422 4.846 50 5 HJBARN OCCn1c(-c2ccc(Br)cc2)cn2c3ccc4ccccc4c3nc21 ZINC000002317023 569373157 /nfs/dbraw/zinc/37/31/57/569373157.db2.gz VEHTYSWNMMNPEL-UHFFFAOYSA-N 0 0 406.283 4.864 50 5 HJBARN CCc1cccc(-n2c3ncn(CCC(C)C)c(=O)c3c3nc4ccccc4nc32)c1 ZINC000002345544 569378182 /nfs/dbraw/zinc/37/81/82/569378182.db2.gz TVKIIRIHVMDJOW-UHFFFAOYSA-N 0 0 411.509 4.892 50 5 HJBARN C[C@@H](Cc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)s1)c1ccccc1 ZINC000009095398 569391505 /nfs/dbraw/zinc/39/15/05/569391505.db2.gz FWHPKSLWLFXJHZ-NSHDSACASA-N 0 0 402.863 4.698 50 5 HJBARN CC[C@@H](C)n1c(C)nc2c(c3nc4ccccc4nc3n2CCc2ccccc2)c1=O ZINC000002403126 569395770 /nfs/dbraw/zinc/39/57/70/569395770.db2.gz RECLMOYRKLQRGK-MRXNPFEDSA-N 0 0 411.509 4.817 50 5 HJBARN CC(C)CCn1cnc2c(c3nc4ccccc4nc3n2-c2ccccc2Cl)c1=O ZINC000002428754 569398815 /nfs/dbraw/zinc/39/88/15/569398815.db2.gz MRPDMVNUNSEQDL-UHFFFAOYSA-N 0 0 417.900 4.983 50 5 HJBARN CC(=O)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000012379351 569400619 /nfs/dbraw/zinc/40/06/19/569400619.db2.gz YAJBOVCZITWZKR-ZBMKRUMQSA-N 0 0 420.425 4.646 50 5 HJBARN CCc1ccc([C@H]2N[C@@H](c3ccc(CC)cc3)[C@@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])cc1 ZINC000013142484 569409756 /nfs/dbraw/zinc/40/97/56/569409756.db2.gz JTRXAGQKEBNGGS-CIAFKFPVSA-N 0 0 411.502 4.514 50 5 aggregator HJBARN O=C1OC(c2ccccc2)=N/C1=C\c1cn(Cc2ccccc2[N+](=O)[O-])c2ccccc12 ZINC000013286231 569410361 /nfs/dbraw/zinc/41/03/61/569410361.db2.gz ZGDIJCAZLRHTSZ-STZFKDTASA-N 0 0 423.428 4.942 50 5 HJBARN O=[N+]([O-])c1cccc(-c2noc(CN3CCCC[C@H]3c3nc4ccccc4o3)n2)c1 ZINC000079110802 569427995 /nfs/dbraw/zinc/42/79/95/569427995.db2.gz DARCIZSXAYNAQN-KRWDZBQOSA-N 0 0 405.414 4.513 50 5 HJBARN O=[N+]([O-])c1ccc(C(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019842196 569430904 /nfs/dbraw/zinc/43/09/04/569430904.db2.gz KASUOBONQJYPCK-UHFFFAOYSA-N 0 0 417.534 4.678 50 5 HJBARN COc1cc([N+](=O)[O-])ccc1-c1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)o1 ZINC000001173605 571043163 /nfs/dbraw/zinc/04/31/63/571043163.db2.gz MWMLIOWXHXZGFU-UHFFFAOYSA-N 0 0 423.450 4.707 50 5 HJBARN Cc1ccc2nc(CSc3nc4ccccc4c4nc5ccccc5n43)cc(=O)n2c1 ZINC000008760687 571114037 /nfs/dbraw/zinc/11/40/37/571114037.db2.gz NGYLDPPWFBNTFD-UHFFFAOYSA-N 0 0 423.501 4.644 50 5 HJBARN COc1cc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000040069914 571150898 /nfs/dbraw/zinc/15/08/98/571150898.db2.gz OTWUWKKKXNVSIX-JTQLQIEISA-N 0 0 414.792 4.691 50 5 HJBARN CCCOc1ccc(NC(=O)CSc2ccsc2[N+](=O)[O-])cc1OCCC ZINC000040116126 571173582 /nfs/dbraw/zinc/17/35/82/571173582.db2.gz FHTZLCJHKANVFA-UHFFFAOYSA-N 0 0 410.517 4.965 50 5 HJBARN Cn1c2ccccc2c(=O)c(-c2ccccc2F)c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000009087525 571219949 /nfs/dbraw/zinc/21/99/49/571219949.db2.gz BKXSSGPMZPUKTE-UHFFFAOYSA-N 0 0 417.396 4.505 50 5 HJBARN O=[N+]([O-])c1cccc([C@H]2Oc3ccc([N+](=O)[O-])cc3[C@@H]3CC(c4ccccc4)=NN32)c1 ZINC000009190924 571235447 /nfs/dbraw/zinc/23/54/47/571235447.db2.gz GEQLPMYGOSCNJN-RBBKRZOGSA-N 0 0 416.393 4.745 50 5 HJBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ncc(Cl)cc1Cl ZINC000009440543 571259061 /nfs/dbraw/zinc/25/90/61/571259061.db2.gz JPMJRSWWOBOXRN-UHFFFAOYSA-N 0 0 415.283 4.637 50 5 HJBARN C[C@@H](NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-n2ccnc2)cc1 ZINC000009915573 571290250 /nfs/dbraw/zinc/29/02/50/571290250.db2.gz GMSLVTPVZMEBDH-OAHLLOKOSA-N 0 0 402.410 4.532 50 5 HJBARN Cc1ccc(-c2csc(NC(=S)NC(=O)C=Cc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000002822484 571308021 /nfs/dbraw/zinc/30/80/21/571308021.db2.gz KCSROIPNSSCGNY-JXMROGBWSA-N 0 0 424.507 4.553 50 5 HJBARN O=C(CSc1nc2ccccc2c2nc3ccccc3n21)NCc1ccccc1F ZINC000018951596 571314466 /nfs/dbraw/zinc/31/44/66/571314466.db2.gz RIRJWADVHHYICW-UHFFFAOYSA-N 0 0 416.481 4.583 50 5 HJBARN COc1ccc(C(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)cc1[N+](=O)[O-] ZINC000003640592 132267472 /nfs/dbraw/zinc/26/74/72/132267472.db2.gz YGLCYHWCFXKZHO-UHFFFAOYSA-N 0 0 420.469 4.703 50 5 HJBARN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C(C)C)[C@H](O)c1ccccc1 ZINC000225735665 519788222 /nfs/dbraw/zinc/78/82/22/519788222.db2.gz YETXABURLMYIIA-WOJBJXKFSA-N 0 0 402.516 4.583 50 5 HJBARN COC(=O)c1cc(C(=O)N2c3ccccc3Sc3ccccc32)cc([N+](=O)[O-])c1 ZINC000000985307 521804483 /nfs/dbraw/zinc/80/44/83/521804483.db2.gz SGJOKYJETBDXMY-UHFFFAOYSA-N 0 0 406.419 4.825 50 5 biogenic HJBARN C[C@@H](NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc2ccccc2c1 ZINC000032777376 525124823 /nfs/dbraw/zinc/12/48/23/525124823.db2.gz SFFQAHBHSJYFQT-CYBMUJFWSA-N 0 0 407.451 4.859 50 5 HJBARN Cc1ccc2nc(NC(=O)[C@H](C)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])sc2c1 ZINC000012541641 526253889 /nfs/dbraw/zinc/25/38/89/526253889.db2.gz ACSUGTVPRSDKOT-JTQLQIEISA-N 0 0 424.404 4.971 50 5 HJBARN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(Br)cc1 ZINC000001514673 557271053 /nfs/dbraw/zinc/27/10/53/557271053.db2.gz DCCRUSQITPDCDX-UHFFFAOYSA-N 0 0 404.245 4.733 50 5 HJBARN Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N1c2ccccc2CCc2ccccc21 ZINC000022831580 557837670 /nfs/dbraw/zinc/83/76/70/557837670.db2.gz LJDBGIKVJXBRLK-UHFFFAOYSA-N 0 0 416.433 4.524 50 5 HJBARN Cc1ccc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)cc1[N+](=O)[O-] ZINC000010740900 558433594 /nfs/dbraw/zinc/43/35/94/558433594.db2.gz NOTZQNJPIZFMRU-UHFFFAOYSA-N 0 0 410.430 4.600 50 5 HJBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cccc(OCc2cscn2)c1 ZINC000010903339 558556679 /nfs/dbraw/zinc/55/66/79/558556679.db2.gz CGSZUOZQZUOSOJ-UHFFFAOYSA-N 0 0 417.874 4.556 50 5 HJBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000004487815 558601203 /nfs/dbraw/zinc/60/12/03/558601203.db2.gz MVAKTVKQIALHDL-UHFFFAOYSA-N 0 0 405.366 4.747 50 5 HJBARN COc1cc2cccnc2c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCCC2)c1 ZINC000004499383 558609381 /nfs/dbraw/zinc/60/93/81/558609381.db2.gz AQDWXQWMGRFGFO-UHFFFAOYSA-N 0 0 420.469 4.784 50 5 HJBARN Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000004550549 558678362 /nfs/dbraw/zinc/67/83/62/558678362.db2.gz MCNFUIAAIRZXOT-UHFFFAOYSA-N 0 0 405.479 4.548 50 5 aggregator HJBARN Cc1c(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)cccc1[N+](=O)[O-] ZINC000004558290 558724425 /nfs/dbraw/zinc/72/44/25/558724425.db2.gz JIRMJEHJSZXPKF-UHFFFAOYSA-N 0 0 402.472 4.661 50 5 HJBARN O=C(Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000013843274 558885992 /nfs/dbraw/zinc/88/59/92/558885992.db2.gz SKDXMGBLDCCVGK-UHFFFAOYSA-N 0 0 421.796 4.669 50 5 HJBARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1 ZINC000013960351 559014549 /nfs/dbraw/zinc/01/45/49/559014549.db2.gz PWPBOHPTPWVGQG-HDICACEKSA-N 0 0 400.818 4.720 50 5 HJBARN COc1ccc(-c2nc3c4sc5nc(C(F)(F)F)cc(C)c5c4ncn3n2)cc1 ZINC000033326959 559059705 /nfs/dbraw/zinc/05/97/05/559059705.db2.gz VVCLVKFDFLSAOF-UHFFFAOYSA-N 0 0 415.400 4.890 50 5 HJBARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)cc1 ZINC000014109870 559151451 /nfs/dbraw/zinc/15/14/51/559151451.db2.gz NXHPDJWTYDYIOQ-UHFFFAOYSA-N 0 0 416.846 4.582 50 5 HJBARN Cn1cc(/C=C\c2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000033410570 559167287 /nfs/dbraw/zinc/16/72/87/559167287.db2.gz IFPUVXZTGVAEIA-GDNBJRDFSA-N 0 0 422.444 4.956 50 5 HJBARN Cc1cc(C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)c(C)o1 ZINC000004930206 559209161 /nfs/dbraw/zinc/20/91/61/559209161.db2.gz DIIDMHCZRBLOMH-HXUWFJFHSA-N 0 0 408.410 4.650 50 5 HJBARN COc1ccc(Cn2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)cc1 ZINC000005030238 559231232 /nfs/dbraw/zinc/23/12/32/559231232.db2.gz TVYYUPDRNDWJTF-UHFFFAOYSA-N 0 0 411.421 4.612 50 5 HJBARN COc1c(Br)cc(Br)cc1/C=C/c1onc(C)c1[N+](=O)[O-] ZINC000033725900 559236995 /nfs/dbraw/zinc/23/69/95/559236995.db2.gz AGQLBHDQTJNCQB-ONEGZZNKSA-N 0 0 418.041 4.595 50 5 HJBARN CCc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)OCc2ccccc2[N+](=O)[O-])cc1 ZINC000005065566 559239482 /nfs/dbraw/zinc/23/94/82/559239482.db2.gz KOSMYOKIFSRFGR-WOJBJXKFSA-N 0 0 410.470 4.646 50 5 HJBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2O[C@H](C)C(=O)N(C)Cc2ccccc2)cc1 ZINC000005143248 559251498 /nfs/dbraw/zinc/25/14/98/559251498.db2.gz KXXBEJDGINBTMZ-QGZVFWFLSA-N 0 0 420.465 4.696 50 5 HJBARN Cc1c(C(=O)N2CCN=C2SCc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000011757740 559257748 /nfs/dbraw/zinc/25/77/48/559257748.db2.gz WTNMTNMSANYPKP-UHFFFAOYSA-N 0 0 423.416 4.667 50 5 HJBARN Cn1c2ccccc2c(=O)c2c3nc4ccccc4n3c(CCc3ccccc3)nc21 ZINC000005205086 560539164 /nfs/dbraw/zinc/53/91/64/560539164.db2.gz GLMPTBHIPZVYRD-UHFFFAOYSA-N 0 0 404.473 4.673 50 5 HJBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(-c2nccs2)cc1 ZINC000011250667 560771691 /nfs/dbraw/zinc/77/16/91/560771691.db2.gz CZVGVBGKRJCQGR-UHFFFAOYSA-N 0 0 411.486 4.917 50 5 HJBARN O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000000655487 568457691 /nfs/dbraw/zinc/45/76/91/568457691.db2.gz BRZJYCIJQPLGKT-BKUYFWCQSA-N 0 0 400.390 4.518 50 5 HJBARN CCOC(=O)/C=C(\C)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1c1c[nH]c2ccccc21 ZINC000000663373 568460051 /nfs/dbraw/zinc/46/00/51/568460051.db2.gz BZKJFQNHVMHUPB-QMUTUGEISA-N 0 0 418.453 4.694 50 5 HJBARN Cc1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(C(C)C)cc1Br ZINC000000674698 568460788 /nfs/dbraw/zinc/46/07/88/568460788.db2.gz XBQIMIJQJBRIAN-UHFFFAOYSA-N 0 0 407.264 4.807 50 5 HJBARN COc1cc2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)oc(=O)c2cc1OC ZINC000000713433 568464719 /nfs/dbraw/zinc/46/47/19/568464719.db2.gz UYTVZDFCFCYTEQ-UHFFFAOYSA-N 0 0 420.377 4.573 50 5 HJBARN Cc1ccc(C2=N/C(=C/c3ccc(OCc4ccccc4)cc3)C(=O)O2)cc1[N+](=O)[O-] ZINC000000779757 568474249 /nfs/dbraw/zinc/47/42/49/568474249.db2.gz KCQZFQPBMOBYDV-FYJGNVAPSA-N 0 0 414.417 4.827 50 5 HJBARN CC(C)OC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CC[C@@H](C)C2 ZINC000000799315 568478569 /nfs/dbraw/zinc/47/85/69/568478569.db2.gz SXYPBAHEJHRDEN-GFCCVEGCSA-N 0 0 402.472 4.599 50 5 HJBARN O=C(N[C@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000000808654 568487477 /nfs/dbraw/zinc/48/74/77/568487477.db2.gz SPPWGUIUBGEECQ-AWEZNQCLSA-N 0 0 423.083 4.786 50 5 HJBARN O=C(Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc([N+](=O)[O-])o1 ZINC000000830459 568504298 /nfs/dbraw/zinc/50/42/98/568504298.db2.gz DVWVNBFAAAQMOT-UHFFFAOYSA-N 0 0 420.208 4.999 50 5 HJBARN O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000000848282 568553307 /nfs/dbraw/zinc/55/33/07/568553307.db2.gz BTYUXOZPUNDSCZ-UHFFFAOYSA-N 0 0 418.272 4.657 50 5 HJBARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nccn1Cc1ccccc1Cl ZINC000225391127 568633538 /nfs/dbraw/zinc/63/35/38/568633538.db2.gz PFQOHSORCJXGJH-CYBMUJFWSA-N 0 0 416.890 4.612 50 5 HJBARN O=C(Nc1cccc(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)c1)[C@@H]1CCCO1 ZINC000095997105 568679108 /nfs/dbraw/zinc/67/91/08/568679108.db2.gz IVIGYCXIIFMGGX-INIZCTEOSA-N 0 0 410.257 4.631 50 5 HJBARN Cc1ccc(Cn2cc([C@H](CC(N)=O)c3ccccc3[N+](=O)[O-])c3ccccc32)cc1 ZINC000096275421 568714590 /nfs/dbraw/zinc/71/45/90/568714590.db2.gz XGRCCRFTLVWWTG-OAQYLSRUSA-N 0 0 413.477 4.914 50 5 HJBARN Cc1cc(O[C@@H](C)C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc(C)c1Cl ZINC000000935626 568750855 /nfs/dbraw/zinc/75/08/55/568750855.db2.gz LLYNUQFLGROQCV-NSHDSACASA-N 0 0 405.863 4.881 50 5 HJBARN CCNc1ccccc1C(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001137743 568773465 /nfs/dbraw/zinc/77/34/65/568773465.db2.gz XRYGWUPANRKRCZ-UHFFFAOYSA-N 0 0 420.421 4.859 50 5 HJBARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001157677 568774446 /nfs/dbraw/zinc/77/44/46/568774446.db2.gz XHZFNYGMUDYKGF-UHFFFAOYSA-N 0 0 407.817 4.543 50 5 HJBARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000001166502 568775923 /nfs/dbraw/zinc/77/59/23/568775923.db2.gz IYSRGUYQTULGAK-VQHVLOKHSA-N 0 0 411.801 4.745 50 5 aggregator HJBARN O=C(CSc1nc2ccccc2s1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000002784025 568808452 /nfs/dbraw/zinc/80/84/52/568808452.db2.gz VYTCPMUIMDOYKX-UHFFFAOYSA-N 0 0 402.482 4.545 50 5 HJBARN Cc1nn(Cc2ccccc2C(=O)Nc2ccc(F)c(Cl)c2)c(C)c1[N+](=O)[O-] ZINC000002796523 568809494 /nfs/dbraw/zinc/80/94/94/568809494.db2.gz IAEXFIPQDKEVHE-UHFFFAOYSA-N 0 0 402.813 4.501 50 5 HJBARN CC[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000002821335 568812180 /nfs/dbraw/zinc/81/21/80/568812180.db2.gz NWOHZHKRNNNHSW-MRXNPFEDSA-N 0 0 415.496 4.917 50 5 HJBARN O=C(COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000002846274 568812899 /nfs/dbraw/zinc/81/28/99/568812899.db2.gz BZZNYWMQKVCDJO-UHFFFAOYSA-N 0 0 410.813 4.762 50 5 HJBARN CCn1c(SCc2ccc(Br)cc2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000002911317 568815822 /nfs/dbraw/zinc/81/58/22/568815822.db2.gz JMCSEYDWQQUIOF-UHFFFAOYSA-N 0 0 419.304 4.928 50 5 HJBARN COc1cccc(C2(c3cccc(OC)c3)C[C@@H]2C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000001187010 568821893 /nfs/dbraw/zinc/82/18/93/568821893.db2.gz ZUVSQCKCPGWHPP-JOCHJYFZSA-N 0 0 418.449 4.557 50 5 HJBARN CCC[C@@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2C(N)=O)C1 ZINC000001200180 568823203 /nfs/dbraw/zinc/82/32/03/568823203.db2.gz WRPFIBCPCDVJGR-SNVBAGLBSA-N 0 0 421.906 4.566 50 5 HJBARN CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2c1CCCC2 ZINC000001200759 568823285 /nfs/dbraw/zinc/82/32/85/568823285.db2.gz RZTRTXPIEZYZDV-UHFFFAOYSA-N 0 0 408.863 4.618 50 5 HJBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 ZINC000001207982 568823377 /nfs/dbraw/zinc/82/33/77/568823377.db2.gz UWWYKGJIDJIUTQ-DHZHZOJOSA-N 0 0 401.378 4.761 50 5 HJBARN Cc1ccc2oc(-c3cc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3O)nc2c1 ZINC000001208980 568823612 /nfs/dbraw/zinc/82/36/12/568823612.db2.gz YFVAYMWJYDWLRY-UHFFFAOYSA-N 0 0 403.394 4.978 50 5 HJBARN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000001219186 568825114 /nfs/dbraw/zinc/82/51/14/568825114.db2.gz UKQFQJGULSYHHS-UHFFFAOYSA-N 0 0 407.817 4.543 50 5 HJBARN O=[N+]([O-])c1ccc(NCC2(c3ccc4c(c3)OCO4)CCOCC2)c(C(F)(F)F)c1 ZINC000063255583 568828797 /nfs/dbraw/zinc/82/87/97/568828797.db2.gz AQAAWUIVDOSTMH-UHFFFAOYSA-N 0 0 424.375 4.503 50 5 HJBARN CC[C@H](C)[C@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O ZINC000002964572 568830764 /nfs/dbraw/zinc/83/07/64/568830764.db2.gz VFFCPRDDNNZHQP-SCLBCKFNSA-N 0 0 408.483 4.533 50 5 HJBARN CCCCOc1cccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000002991199 568835863 /nfs/dbraw/zinc/83/58/63/568835863.db2.gz JKHAWEQUDWTMES-UHFFFAOYSA-N 0 0 407.879 4.554 50 5 HJBARN CCCCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 ZINC000003002606 568836923 /nfs/dbraw/zinc/83/69/23/568836923.db2.gz SSICLTOHZBYXQC-UHFFFAOYSA-N 0 0 421.247 4.567 50 5 HJBARN O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003008138 568837048 /nfs/dbraw/zinc/83/70/48/568837048.db2.gz HLJFUXPKRZPUKL-UHFFFAOYSA-N 0 0 418.837 4.572 50 5 HJBARN CC(C)c1ccc(CCNC(=O)COc2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 ZINC000012522159 568842003 /nfs/dbraw/zinc/84/20/03/568842003.db2.gz MPNZRKICUKDOFJ-UHFFFAOYSA-N 0 0 414.505 4.542 50 5 HJBARN COc1cc(Cl)c(C)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000012527456 568843599 /nfs/dbraw/zinc/84/35/99/568843599.db2.gz NCCPYCCHXIOYCD-UHFFFAOYSA-N 0 0 406.869 4.764 50 5 HJBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc(OC(F)(F)F)c1 ZINC000012528017 568843735 /nfs/dbraw/zinc/84/37/35/568843735.db2.gz RBOFLHBTNSOZPM-UHFFFAOYSA-N 0 0 412.367 4.692 50 5 HJBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000012540569 568848316 /nfs/dbraw/zinc/84/83/16/568848316.db2.gz DFXNNAJPZWVLML-OAQYLSRUSA-N 0 0 400.453 4.658 50 5 HJBARN O=C(N[C@@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000003118671 568856173 /nfs/dbraw/zinc/85/61/73/568856173.db2.gz GOZVLRUESXBNRV-CQSZACIVSA-N 0 0 423.083 4.786 50 5 HJBARN O=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccc([N+](=O)[O-])s1 ZINC000003275788 568870956 /nfs/dbraw/zinc/87/09/56/568870956.db2.gz UZAXFQOSMXJQMM-UHFFFAOYSA-N 0 0 410.274 4.795 50 5 HJBARN O=[N+]([O-])c1cc(COc2ncnc3scc(-c4ccccc4)c32)c2c(c1)COCO2 ZINC000003322432 568880617 /nfs/dbraw/zinc/88/06/17/568880617.db2.gz ZFBNPAXQQAJIFI-UHFFFAOYSA-N 0 0 421.434 4.712 50 5 HJBARN Cc1c(C(=O)Nc2nnc(-c3ccc(Cl)cc3Cl)s2)cccc1[N+](=O)[O-] ZINC000004079080 568882948 /nfs/dbraw/zinc/88/29/48/568882948.db2.gz UHVNUYLSLGOTJW-UHFFFAOYSA-N 0 0 409.254 4.981 50 5 HJBARN CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c1 ZINC000058103725 568886193 /nfs/dbraw/zinc/88/61/93/568886193.db2.gz KJYCOFYFSGRLGE-UHFFFAOYSA-N 0 0 423.429 4.584 50 5 HJBARN Cc1c(C(=O)N[C@H](Cc2nc3ccccc3n2C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000012734090 568924083 /nfs/dbraw/zinc/92/40/83/568924083.db2.gz DRVKNLTZHXNQQU-HXUWFJFHSA-N 0 0 414.465 4.504 50 5 HJBARN CCOc1ccc(NC(=O)c2ccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 ZINC000003880279 568928251 /nfs/dbraw/zinc/92/82/51/568928251.db2.gz IIWWIDUSFZCRRI-UHFFFAOYSA-N 0 0 422.397 4.898 50 5 HJBARN CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004039427 568934668 /nfs/dbraw/zinc/93/46/68/568934668.db2.gz NLCXFDLPGXMULB-UHFFFAOYSA-N 0 0 407.264 4.672 50 5 HJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000004056321 568936430 /nfs/dbraw/zinc/93/64/30/568936430.db2.gz VVFBJBWMKKAEBT-NTEUORMPSA-N 0 0 404.422 4.834 50 5 HJBARN CCOC(=O)c1sc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000004079341 568938792 /nfs/dbraw/zinc/93/87/92/568938792.db2.gz RUSAIAXJVUSCTO-UHFFFAOYSA-N 0 0 412.427 4.539 50 5 HJBARN Cc1cc(NC(=O)c2cccc(Br)c2)nc2c3ccccc3oc(=O)c12 ZINC000004108188 568943739 /nfs/dbraw/zinc/94/37/39/568943739.db2.gz NOYCBZRRVWYOOT-UHFFFAOYSA-N 0 0 409.239 4.664 50 5 HJBARN CC(C)CCNc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1[N+](=O)[O-] ZINC000004114705 568944262 /nfs/dbraw/zinc/94/42/62/568944262.db2.gz UVPNCYMYOKKKIN-UHFFFAOYSA-N 0 0 412.515 4.897 50 5 HJBARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000004177241 568948092 /nfs/dbraw/zinc/94/80/92/568948092.db2.gz RMKPVCUPXRAUOI-FYYLOGMGSA-N 0 0 401.422 4.846 50 5 HJBARN CC(C)[C@@H](C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Cl)cc1 ZINC000004220584 568952341 /nfs/dbraw/zinc/95/23/41/568952341.db2.gz NWBWCSKZIPYYEL-GOSISDBHSA-N 0 0 415.833 4.781 50 5 HJBARN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)cc1OC ZINC000012776714 568955244 /nfs/dbraw/zinc/95/52/44/568955244.db2.gz ZQDNVONSEHINQQ-UHFFFAOYSA-N 0 0 404.422 4.826 50 5 HJBARN O=C(Nc1c2ccccc2oc1C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000004267949 568956399 /nfs/dbraw/zinc/95/63/99/568956399.db2.gz NMNVFZFVPILPHW-UHFFFAOYSA-N 0 0 407.407 4.907 50 5 HJBARN Cc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc([N+](=O)[O-])cc3)nc21 ZINC000004273212 568957712 /nfs/dbraw/zinc/95/77/12/568957712.db2.gz NKSSTCAILBIVQU-UHFFFAOYSA-N 0 0 404.451 4.755 50 5 HJBARN COC[C@@H](C)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000007977067 568963053 /nfs/dbraw/zinc/96/30/53/568963053.db2.gz RNHJHHFKSHVOFM-LLVKDONJSA-N 0 0 414.405 4.530 50 5 HJBARN O=C(N[C@@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000001452531 568986694 /nfs/dbraw/zinc/98/66/94/568986694.db2.gz SCXGNKTVAMPOGP-CQSZACIVSA-N 0 0 423.083 4.786 50 5 HJBARN CCOc1ccc(NC(=S)Nc2sc(C)c(CC)c2C(=O)OC)c([N+](=O)[O-])c1 ZINC000016346243 569031582 /nfs/dbraw/zinc/03/15/82/569031582.db2.gz RTCNLJQHDWSEEK-UHFFFAOYSA-N 0 0 423.516 4.521 50 5 HJBARN CCOc1ccc(C(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)cc1OCC ZINC000006355654 569045176 /nfs/dbraw/zinc/04/51/76/569045176.db2.gz QOAVKCUXKPXITL-UHFFFAOYSA-N 0 0 418.449 4.699 50 5 HJBARN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(Br)cn1 ZINC000016450594 569051469 /nfs/dbraw/zinc/05/14/69/569051469.db2.gz YEJWKWVYUQRILL-JXMROGBWSA-N 0 0 414.215 4.664 50 5 HJBARN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1 ZINC000006451005 569053284 /nfs/dbraw/zinc/05/32/84/569053284.db2.gz OUTUQJFGFGTFQI-UHFFFAOYSA-N 0 0 415.453 4.760 50 5 HJBARN CCCCOc1ccc(OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 ZINC000006720235 569098182 /nfs/dbraw/zinc/09/81/82/569098182.db2.gz KXEQLAMCPUZRAD-UHFFFAOYSA-N 0 0 401.462 4.939 50 5 HJBARN CCCNC(=O)c1nn(-c2cccc(C)c2C)c(Oc2ccccc2[N+](=O)[O-])c1C ZINC000006774965 569118404 /nfs/dbraw/zinc/11/84/04/569118404.db2.gz NTSPCJRIYOBEKV-UHFFFAOYSA-N 0 0 408.458 4.638 50 5 HJBARN Cc1ccccc1Nc1nnc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000006831247 569147424 /nfs/dbraw/zinc/14/74/24/569147424.db2.gz PEFHCUQWUSPKBY-LBPRGKRZSA-N 0 0 415.500 4.618 50 5 HJBARN COc1ccc(-c2noc(-c3cc4c(ccc5ccccc54)oc3=O)n2)cc1OC ZINC000006868032 569159306 /nfs/dbraw/zinc/15/93/06/569159306.db2.gz FWIKGUQNKDSGFU-UHFFFAOYSA-N 0 0 400.390 4.680 50 5 HJBARN O=C(NCc1ccccc1COCc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000036390484 569165519 /nfs/dbraw/zinc/16/55/19/569165519.db2.gz IJXUQKWOMZQODN-UHFFFAOYSA-N 0 0 410.857 4.895 50 5 HJBARN COCCNc1nc2c3sc4nc(C(F)F)cc(C5CC5)c4c3[nH]c(=O)c2s1 ZINC000036612847 569209021 /nfs/dbraw/zinc/20/90/21/569209021.db2.gz JUMORRHUBLTIQS-UHFFFAOYSA-N 0 0 422.482 4.621 50 5 HJBARN CC1=C(C(=O)OC2CCCCCCC2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)N1 ZINC000017092470 569273319 /nfs/dbraw/zinc/27/33/19/569273319.db2.gz UNQUCZJKQCBCSR-MRXNPFEDSA-N 0 0 420.893 4.782 50 5 HJBARN CC1=C(C(=O)OC2CCCCCCC2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)N1 ZINC000017092471 569273728 /nfs/dbraw/zinc/27/37/28/569273728.db2.gz UNQUCZJKQCBCSR-INIZCTEOSA-N 0 0 420.893 4.782 50 5 HJBARN CCCOC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 ZINC000002082437 569277907 /nfs/dbraw/zinc/27/79/07/569277907.db2.gz HIGRNKMLWKNKMG-FMIVXFBMSA-N 0 0 414.483 4.754 50 5 HJBARN O=c1c2ccccc2oc2nc(-c3ccccc3Cl)n(-c3ccccc3)c(=O)c12 ZINC000002197527 569294678 /nfs/dbraw/zinc/29/46/78/569294678.db2.gz KIMRXCSHROUDTC-UHFFFAOYSA-N 0 0 400.821 4.813 50 5 HJBARN CCCC(=O)N(c1ccc(C)c(F)c1)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000037560518 569307099 /nfs/dbraw/zinc/30/70/99/569307099.db2.gz UFOXXYWHODBWRW-UHFFFAOYSA-N 0 0 413.493 4.840 50 5 HJBARN Cc1ccc(S(=O)(=O)CCC(=O)OCc2nc3ccccc3c3ccccc23)cc1 ZINC000007814734 569312669 /nfs/dbraw/zinc/31/26/69/569312669.db2.gz BBAWSEUTWXMDOT-UHFFFAOYSA-N 0 0 419.502 4.604 50 5 HJBARN COc1ccc2c(c1)oc1nc(C3CCCCC3)n(Cc3ccccc3)c(=O)c1c2=O ZINC000002241073 569323672 /nfs/dbraw/zinc/32/36/72/569323672.db2.gz XFKOXRQFLZAPOJ-UHFFFAOYSA-N 0 0 416.477 4.608 50 5 HJBARN CC(C)Cn1cnc2c(c3nc4ccccc4nc3n2-c2ccc(Cl)cc2)c1=O ZINC000002257557 569324834 /nfs/dbraw/zinc/32/48/34/569324834.db2.gz SBSCCFPVSMVUAE-UHFFFAOYSA-N 0 0 403.873 4.593 50 5 HJBARN CCOc1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)cc1 ZINC000002284670 569364495 /nfs/dbraw/zinc/36/44/95/569364495.db2.gz YTKQOBXUPNPSRK-UHFFFAOYSA-N 0 0 411.421 4.943 50 5 HJBARN COc1ccc2[nH]c(=O)c(-c3c4cnn(C)c4nc4c5ccc(O)cc5oc43)cc2c1 ZINC000253623671 569383200 /nfs/dbraw/zinc/38/32/00/569383200.db2.gz FILUXGWUVWAIND-UHFFFAOYSA-N 0 0 412.405 4.503 50 5 biogenic HJBARN CCC(CC)C(=O)Nc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000008782398 569390273 /nfs/dbraw/zinc/39/02/73/569390273.db2.gz JRZJRIPWVRLHSM-UHFFFAOYSA-N 0 0 412.471 4.832 50 5 HJBARN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nccn1Cc1ccccc1Cl ZINC000225391084 569393416 /nfs/dbraw/zinc/39/34/16/569393416.db2.gz PFQOHSORCJXGJH-ZDUSSCGKSA-N 0 0 416.890 4.612 50 5 HJBARN CC[C@H](C)n1cnc2c(c3nc4ccccc4nc3n2-c2cc(C)ccc2OC)c1=O ZINC000002424848 569398361 /nfs/dbraw/zinc/39/83/61/569398361.db2.gz PSQMNPGIZQLAGO-HNNXBMFYSA-N 0 0 413.481 4.572 50 5 HJBARN COC(=O)c1cnc(Sc2ccccc2NC(=O)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000012370034 569400358 /nfs/dbraw/zinc/40/03/58/569400358.db2.gz IKDBZVHPLAAZJS-UHFFFAOYSA-N 0 0 424.438 4.572 50 5 HJBARN CC(=O)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@H]2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000012379349 569400635 /nfs/dbraw/zinc/40/06/35/569400635.db2.gz YAJBOVCZITWZKR-XBNAMMGVSA-N 0 0 420.425 4.646 50 5 HJBARN Cc1cc(NC(=O)CN[C@@H](c2cccs2)c2ccc(F)cc2)c([N+](=O)[O-])cc1C ZINC000012982240 569405768 /nfs/dbraw/zinc/40/57/68/569405768.db2.gz ULUJGUSLDQSTNO-OAQYLSRUSA-N 0 0 413.474 4.730 50 5 HJBARN Cc1sc2nc(CSc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[nH]c(=O)c2c1C ZINC000008693993 571102308 /nfs/dbraw/zinc/10/23/08/571102308.db2.gz KFIKQCFISBMWLH-UHFFFAOYSA-N 0 0 415.418 4.821 50 5 aggregator HJBARN C[C@H](Cc1cccc(Cl)c1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000040112935 571171122 /nfs/dbraw/zinc/17/11/22/571171122.db2.gz ZVIFHLGOXIHHAM-MRXNPFEDSA-N 0 0 404.897 4.556 50 5 HJBARN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])c12 ZINC000040133359 571185929 /nfs/dbraw/zinc/18/59/29/571185929.db2.gz RSIXWLQQPFBYSO-UHFFFAOYSA-N 0 0 421.501 4.553 50 5 HJBARN CCCCOc1ccc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)OC)cc1OCC ZINC000040146058 571190973 /nfs/dbraw/zinc/19/09/73/571190973.db2.gz OBFLZEISFPVKPV-VQHVLOKHSA-N 0 0 400.431 4.524 50 5 HJBARN COc1ccc2c(c1)oc1nc(-c3ccccc3OC)n3c4ccccc4nc3c1c2=O ZINC000009002142 571209732 /nfs/dbraw/zinc/20/97/32/571209732.db2.gz WQVBARNDLXWKEI-UHFFFAOYSA-N 0 0 423.428 4.826 50 5 HJBARN CCOc1ccc(NC(=S)N2CCn3cccc3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009391150 571254542 /nfs/dbraw/zinc/25/45/42/571254542.db2.gz ZFSQGGFAWFBRSJ-NRFANRHFSA-N 0 0 422.510 4.597 50 5 HJBARN COc1ccc(-c2noc(-c3cc4c(ccc5ccccc54)oc3=O)n2)c(OC)c1 ZINC000009431156 571258375 /nfs/dbraw/zinc/25/83/75/571258375.db2.gz YGZKJHIDQDXPQP-UHFFFAOYSA-N 0 0 400.390 4.680 50 5 HJBARN COC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2c1 ZINC000012651519 571306921 /nfs/dbraw/zinc/30/69/21/571306921.db2.gz ZRUWJTKWBWRRFI-UHFFFAOYSA-N 0 0 423.406 4.503 50 5 HJBARN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCCc3ccccc32)cc1 ZINC000001034665 132235511 /nfs/dbraw/zinc/23/55/11/132235511.db2.gz SWJHJLWSCYBCOP-UHFFFAOYSA-N 0 0 404.422 4.989 50 5 HJBARN CC(=O)c1cccc(NC(=O)c2sc3nc(-c4cccc([N+](=O)[O-])c4)cn3c2C)c1 ZINC000020280118 518444328 /nfs/dbraw/zinc/44/43/28/518444328.db2.gz SXKHLWIZTBSFRE-UHFFFAOYSA-N 0 0 420.450 4.734 50 5 HJBARN Cn1cccc1[C@H]1CCCCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000032902679 527407464 /nfs/dbraw/zinc/40/74/64/527407464.db2.gz BQEZERGDMZRWQT-XMMPIXPASA-N 0 0 413.521 4.637 50 5 HJBARN COc1ccc2c(c1)oc1nc(C3CCCCC3)n(-c3ccc(C)cc3)c(=O)c1c2=O ZINC000002226765 557668759 /nfs/dbraw/zinc/66/87/59/557668759.db2.gz SSZCSKOAMAQRGX-UHFFFAOYSA-N 0 0 416.477 4.857 50 5 HJBARN O=C(c1ccccc1)c1cccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)c1 ZINC000006728029 557717674 /nfs/dbraw/zinc/71/76/74/557717674.db2.gz JDNQFOHZDLBSOR-UHFFFAOYSA-N 0 0 403.437 4.735 50 5 HJBARN COc1c(O)ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1[N+](=O)[O-] ZINC000008396756 557786073 /nfs/dbraw/zinc/78/60/73/557786073.db2.gz UHSZQIAOIGVZGC-BTYIYWSLSA-N 0 0 423.450 4.613 50 5 HJBARN Cc1ccc(NC(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)F)c([N+](=O)[O-])c1 ZINC000008454766 557791619 /nfs/dbraw/zinc/79/16/19/557791619.db2.gz VNOLFLVUTJWGNU-UHFFFAOYSA-N 0 0 423.379 4.803 50 5 HJBARN O=C1C[C@@](/C=C/c2ccccc2)(Nc2ccc([N+](=O)[O-])cc2)C(=O)N1C1CCCCC1 ZINC000004333559 558261921 /nfs/dbraw/zinc/26/19/21/558261921.db2.gz XPRNRZUXCBVSGK-RFAWQRTRSA-N 0 0 419.481 4.551 50 5 HJBARN CCOc1ccc2[nH]c(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)nc2c1 ZINC000010732130 558433165 /nfs/dbraw/zinc/43/31/65/558433165.db2.gz UOUHATAZLBMRPG-SNVBAGLBSA-N 0 0 420.878 4.643 50 5 HJBARN Cc1cccc(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)c1[N+](=O)[O-] ZINC000012799595 558471279 /nfs/dbraw/zinc/47/12/79/558471279.db2.gz PLYDLWDUTVCLCR-UHFFFAOYSA-N 0 0 405.458 4.531 50 5 HJBARN CCC(=O)Oc1cn(CCCOC(C)C)c2nc(CC)n3c4ccccc4nc3c12 ZINC000013237943 558527998 /nfs/dbraw/zinc/52/79/98/558527998.db2.gz XCYFMSDHDULKGU-UHFFFAOYSA-N 0 0 408.502 4.530 50 5 HJBARN Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)C=Cc1ccc(Cl)cc1Cl ZINC000004663333 558875144 /nfs/dbraw/zinc/87/51/44/558875144.db2.gz SFOQZXDBGHUJGL-XVNBXDOJSA-N 0 0 410.282 4.736 50 5 HJBARN Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1sc2ccccc2c1Cl ZINC000004676726 558881247 /nfs/dbraw/zinc/88/12/47/558881247.db2.gz ZYXXWIZGKOGYQC-UHFFFAOYSA-N 0 0 405.888 4.898 50 5 HJBARN CCCC1=Nc2nc3ccccc3n2[C@@H](c2ccccc2[N+](=O)[O-])C1C(=O)OCC ZINC000004735585 559009584 /nfs/dbraw/zinc/00/95/84/559009584.db2.gz NEDFKRXISSHORK-FQEVSTJZSA-N 0 0 406.442 4.577 50 5 HJBARN O=[N+]([O-])c1cccc(-n2nc(-c3ccccc3)c3cnc4cc5c(cc4c32)OCO5)c1 ZINC000004969984 559219572 /nfs/dbraw/zinc/21/95/72/559219572.db2.gz RPOLUEIMUATWCG-UHFFFAOYSA-N 0 0 410.389 4.878 50 5 HJBARN CCOC(=O)c1c(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)sc2c1CC[C@H](C)C2 ZINC000033616878 559221607 /nfs/dbraw/zinc/22/16/07/559221607.db2.gz FHDZGUTZVWIDQR-KJJQSCHISA-N 0 0 414.483 4.610 50 5 HJBARN CCCCn1c2ncn(Cc3ccc(Cl)cc3)c(=O)c2c2nc3ccccc3nc21 ZINC000005055128 559237542 /nfs/dbraw/zinc/23/75/42/559237542.db2.gz WJEUQYFKNBHBCZ-UHFFFAOYSA-N 0 0 417.900 4.796 50 5 HJBARN COc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000005073431 559240705 /nfs/dbraw/zinc/24/07/05/559240705.db2.gz QLCZTGAXBLNMGS-UHFFFAOYSA-N 0 0 408.254 4.893 50 5 HJBARN Cc1ccc2cc3c(NC(=O)c4ccc([N+](=O)[O-])cc4)nn(CC(C)C)c3nc2c1 ZINC000005164622 559276779 /nfs/dbraw/zinc/27/67/79/559276779.db2.gz LGVUWWRUGALXCS-UHFFFAOYSA-N 0 0 403.442 4.709 50 5 HJBARN COc1ccc2c(c1)oc1nc(-c3ccccc3F)n3c4ccccc4nc3c1c2=O ZINC000005209092 560538842 /nfs/dbraw/zinc/53/88/42/560538842.db2.gz FDGPEVHLCGUHRA-UHFFFAOYSA-N 0 0 411.392 4.957 50 5 HJBARN COc1cccc(-c2nc3c(c4nc5ccccc5n42)c(=O)c2ccccc2n3C)c1 ZINC000005348049 560570900 /nfs/dbraw/zinc/57/09/00/560570900.db2.gz OSZFILRHWPOAOC-UHFFFAOYSA-N 0 0 406.445 4.563 50 5 HJBARN CC(C)Cn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1ccc(C(C)(C)C)cc1 ZINC000005489156 560597763 /nfs/dbraw/zinc/59/77/63/560597763.db2.gz GQRPWUOFWFUVAV-UHFFFAOYSA-N 0 0 415.537 4.869 50 5 HJBARN O=C(Nc1ccccc1[N+](=O)[O-])c1ccccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000005576209 560624494 /nfs/dbraw/zinc/62/44/94/560624494.db2.gz NDCZRMRSSMUWEG-UHFFFAOYSA-N 0 0 404.357 4.703 50 5 HJBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Oc1ccc(Br)cc1 ZINC000005595516 560628403 /nfs/dbraw/zinc/62/84/03/560628403.db2.gz URLKRGFAIXGDSB-UHFFFAOYSA-N 0 0 408.251 4.523 50 5 HJBARN O=C(OCc1csc(-c2ccccc2)n1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000005660146 560641944 /nfs/dbraw/zinc/64/19/44/560641944.db2.gz HNXOYWAPYKCUOQ-UHFFFAOYSA-N 0 0 409.467 4.676 50 5 HJBARN COc1cc(C(=O)Nc2ccccc2N(C)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000048312061 568437133 /nfs/dbraw/zinc/43/71/33/568437133.db2.gz ZONUZTMIUBTLAH-UHFFFAOYSA-N 0 0 421.453 4.501 50 5 HJBARN Cc1ccc([C@@H]2Cc3cc(C(=O)Nc4ccc(C)cc4[N+](=O)[O-])ccc3C(=O)O2)cc1 ZINC000012274523 568457409 /nfs/dbraw/zinc/45/74/09/568457409.db2.gz PEYLZHJKKSJYPO-QFIPXVFZSA-N 0 0 416.433 4.918 50 5 HJBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc2ccccc2c1Br ZINC000000672432 568460682 /nfs/dbraw/zinc/46/06/82/568460682.db2.gz YQODYMYKIAQLRM-UHFFFAOYSA-N 0 0 415.243 4.836 50 5 HJBARN Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1C ZINC000000830199 568503784 /nfs/dbraw/zinc/50/37/84/568503784.db2.gz WTJCWZGPMCGESC-UHFFFAOYSA-N 0 0 421.844 4.851 50 5 HJBARN Cc1noc(/C=C/c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)c1[N+](=O)[O-] ZINC000021112438 568668318 /nfs/dbraw/zinc/66/83/18/568668318.db2.gz WNRBJZNLFBNEEX-JXMROGBWSA-N 0 0 419.846 4.516 50 5 HJBARN C[C@@H](NC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000095977365 568673538 /nfs/dbraw/zinc/67/35/38/568673538.db2.gz XARDJUHRTGFRGJ-SNVBAGLBSA-N 0 0 402.756 4.523 50 5 HJBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 ZINC000000857588 568711629 /nfs/dbraw/zinc/71/16/29/568711629.db2.gz REYSTPRBJUCRED-DHZHZOJOSA-N 0 0 402.366 4.557 50 5 HJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000000951455 568756824 /nfs/dbraw/zinc/75/68/24/568756824.db2.gz WSAVVDIVVOUFBP-UHFFFAOYSA-N 0 0 420.465 4.947 50 5 HJBARN O=C(N[C@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000000971148 568758906 /nfs/dbraw/zinc/75/89/06/568758906.db2.gz VSEPRBXOLWFQGM-AWEZNQCLSA-N 0 0 423.083 4.786 50 5 HJBARN COc1ccc(C(=O)[C@H](C)Oc2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)cc1 ZINC000001109104 568768769 /nfs/dbraw/zinc/76/87/69/568768769.db2.gz VROVCVCAVSELOC-HNNXBMFYSA-N 0 0 420.421 4.506 50 5 HJBARN Cc1ccc(C(=O)[C@H](C)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000001112080 568770564 /nfs/dbraw/zinc/77/05/64/568770564.db2.gz WZZQTFDVWNBVOA-INIZCTEOSA-N 0 0 404.422 4.806 50 5 HJBARN CCOC(=O)c1c2ccccc2sc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000001114366 568770753 /nfs/dbraw/zinc/77/07/53/568770753.db2.gz OVLCLKOQKUYXGV-UHFFFAOYSA-N 0 0 404.831 4.892 50 5 HJBARN CCOC(=O)c1ccc(COC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000001122827 568771369 /nfs/dbraw/zinc/77/13/69/568771369.db2.gz GCLRBDLHUPOMPB-UHFFFAOYSA-N 0 0 421.405 4.921 50 5 HJBARN Cc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccccc4[N+](=O)[O-])cc3n2)cc1 ZINC000001151734 568774093 /nfs/dbraw/zinc/77/40/93/568774093.db2.gz RTPBCJFODDMJCZ-UHFFFAOYSA-N 0 0 407.817 4.543 50 5 HJBARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000299804357 568782741 /nfs/dbraw/zinc/78/27/41/568782741.db2.gz XLCBPMHIXQRPBE-QPPBQGQZSA-N 0 0 413.433 4.656 50 5 HJBARN Cc1oc(-c2cccc([N+](=O)[O-])c2)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000028296005 568783917 /nfs/dbraw/zinc/78/39/17/568783917.db2.gz FVTOMIIYMHJJLW-UHFFFAOYSA-N 0 0 401.762 4.977 50 5 HJBARN CCn1cnc2c1nc(N1CC[C@@H]3CCCC[C@@H]3C1)nc2Nc1cccc([N+](=O)[O-])c1 ZINC000028629319 568798719 /nfs/dbraw/zinc/79/87/19/568798719.db2.gz WKVMTXJWGZKVOF-JKSUJKDBSA-N 0 0 421.505 4.515 50 5 HJBARN Cc1ccc(Cl)cc1NC(=O)c1ccn(COc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000002798577 568809580 /nfs/dbraw/zinc/80/95/80/568809580.db2.gz FUEMDYZEHOANPV-UHFFFAOYSA-N 0 0 421.240 4.695 50 5 HJBARN Cc1nn(Cc2c(F)cccc2Cl)c(C)c1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000002858896 568813364 /nfs/dbraw/zinc/81/33/64/568813364.db2.gz BZKWCHSZSZIEAV-UHFFFAOYSA-N 0 0 417.828 4.893 50 5 HJBARN O=c1c2sccc2nc(SCc2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1 ZINC000002908862 568815522 /nfs/dbraw/zinc/81/55/22/568815522.db2.gz JLQAUWRBQMZRLP-UHFFFAOYSA-N 0 0 413.455 4.787 50 5 HJBARN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000001173896 568818929 /nfs/dbraw/zinc/81/89/29/568818929.db2.gz XAENWUWCGJBTQI-UHFFFAOYSA-N 0 0 421.844 4.851 50 5 HJBARN COC(=O)c1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2c1CCCCC2 ZINC000001200086 568822883 /nfs/dbraw/zinc/82/28/83/568822883.db2.gz ROWFKFSMIGDVEJ-UHFFFAOYSA-N 0 0 408.863 4.618 50 5 HJBARN Cc1ccccc1/N=c1\oc2ccc([N+](=O)[O-])cc2cc1C(=O)Nc1nccs1 ZINC000002951476 568829051 /nfs/dbraw/zinc/82/90/51/568829051.db2.gz WKBVKNYAGULTHZ-QOCHGBHMSA-N 0 0 406.423 4.591 50 5 HJBARN CC(C)C[C@@H]1N=C2c3ccccc3N=C(SCc3ccc([N+](=O)[O-])cc3)N2C1=O ZINC000002964491 568830813 /nfs/dbraw/zinc/83/08/13/568830813.db2.gz SXZSZTMHRFIXHW-SFHVURJKSA-N 0 0 408.483 4.533 50 5 HJBARN O=C(CCC1CCCCC1)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2 ZINC000003008079 568836858 /nfs/dbraw/zinc/83/68/58/568836858.db2.gz AZQIWAPSMLFLFK-UHFFFAOYSA-N 0 0 400.504 4.826 50 5 HJBARN COc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1[N+](=O)[O-] ZINC000001228537 568838424 /nfs/dbraw/zinc/83/84/24/568838424.db2.gz ZHNAEGVKVYYWNN-UHFFFAOYSA-N 0 0 403.394 4.972 50 5 HJBARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000003244383 568866955 /nfs/dbraw/zinc/86/69/55/568866955.db2.gz HCGBGITYCYQEHT-UHFFFAOYSA-N 0 0 420.443 4.953 50 5 HJBARN O=C(O[C@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000003252997 568868163 /nfs/dbraw/zinc/86/81/63/568868163.db2.gz QENPNVHYYFWOTL-QFIPXVFZSA-N 0 0 400.390 4.857 50 5 HJBARN CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000058151235 568892367 /nfs/dbraw/zinc/89/23/67/568892367.db2.gz KZEOAZOOCYWPDJ-UHFFFAOYSA-N 0 0 410.449 4.609 50 5 HJBARN Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)cc12 ZINC000058407166 568916457 /nfs/dbraw/zinc/91/64/57/568916457.db2.gz PKWFIJSHJNHIJG-CYBMUJFWSA-N 0 0 406.467 4.795 50 5 HJBARN O=C(N[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccccc1Cl ZINC000003878711 568928399 /nfs/dbraw/zinc/92/83/99/568928399.db2.gz IDSNVHUZKXZTAA-CQSZACIVSA-N 0 0 423.083 4.786 50 5 HJBARN CCCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000004043980 568935720 /nfs/dbraw/zinc/93/57/20/568935720.db2.gz OWRVPIGRDXKJFC-BJMVGYQFSA-N 0 0 405.248 4.798 50 5 HJBARN Cc1c(Cl)cccc1-n1sc2cc([N+](=O)[O-])cc(OCC(F)(F)F)c2c1=O ZINC000001430603 568940166 /nfs/dbraw/zinc/94/01/66/568940166.db2.gz DXDXEHZMRORZAQ-UHFFFAOYSA-N 0 0 418.780 4.863 50 5 HJBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ncc(-c2c(F)cccc2F)o1 ZINC000012777542 568955706 /nfs/dbraw/zinc/95/57/06/568955706.db2.gz CSDVIQXJQMBXRJ-ZDUSSCGKSA-N 0 0 415.396 4.680 50 5 HJBARN O=C(Nc1ccccc1[N+](=O)[O-])c1nc(SCc2ccccc2)ncc1Cl ZINC000006282351 569037323 /nfs/dbraw/zinc/03/73/23/569037323.db2.gz KFYRCRRLFYDVRK-UHFFFAOYSA-N 0 0 400.847 4.583 50 5 HJBARN COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cccc2c(Cl)cccc12 ZINC000016474771 569052622 /nfs/dbraw/zinc/05/26/22/569052622.db2.gz OANHFHPJDBABKA-UHFFFAOYSA-N 0 0 415.858 4.537 50 5 HJBARN Cc1cc(OCCCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)ccc1Cl ZINC000001787183 569052696 /nfs/dbraw/zinc/05/26/96/569052696.db2.gz PNKSKMYMLPAHCW-UHFFFAOYSA-N 0 0 405.863 4.964 50 5 HJBARN Cc1cccc(C(C)C)c1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000006553503 569065564 /nfs/dbraw/zinc/06/55/64/569065564.db2.gz NSWYWVVYNHHUAZ-UHFFFAOYSA-N 0 0 411.487 4.559 50 5 HJBARN CCCCCC[C@@H](C)OC(=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O ZINC000002062822 569072861 /nfs/dbraw/zinc/07/28/61/569072861.db2.gz KTOIZYSJRCTEMM-OAHLLOKOSA-N 0 0 424.453 4.911 50 5 HJBARN COc1cccc(N([C@H](C)c2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000036247667 569116517 /nfs/dbraw/zinc/11/65/17/569116517.db2.gz UQCZDUUPTFTBEI-MRXNPFEDSA-N 0 0 412.467 4.560 50 5 HJBARN COc1ccc(N([C@H](C)c2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000036247647 569117098 /nfs/dbraw/zinc/11/70/98/569117098.db2.gz GXWXZQRYRXDBSC-MRXNPFEDSA-N 0 0 412.467 4.560 50 5 HJBARN COc1cc(C(=O)NCc2ccco2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000006785882 569121775 /nfs/dbraw/zinc/12/17/75/569121775.db2.gz TVGWDXZPCHBAMO-UHFFFAOYSA-N 0 0 402.790 4.572 50 5 HJBARN Cc1ccc(CN(C)C(=O)CSc2nc3ccccc3c3nc4ccccc4n32)o1 ZINC000007245437 569229887 /nfs/dbraw/zinc/22/98/87/569229887.db2.gz JOAVOVMGFGLINA-UHFFFAOYSA-N 0 0 416.506 4.688 50 5 HJBARN COc1ccc(C2=NN3[C@H](C2)c2cc([N+](=O)[O-])ccc2O[C@H]3c2ccccc2)cc1 ZINC000239415276 569233755 /nfs/dbraw/zinc/23/37/55/569233755.db2.gz UCOVRFHFHHQFHH-GGAORHGYSA-N 0 0 401.422 4.846 50 5 HJBARN Cc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@H](C)C3)cc1[N+](=O)[O-] ZINC000002092994 569280364 /nfs/dbraw/zinc/28/03/64/569280364.db2.gz DVXLMPURAPHVIB-LBPRGKRZSA-N 0 0 416.499 4.907 50 5 HJBARN COc1ccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1 ZINC000002247756 569324362 /nfs/dbraw/zinc/32/43/62/569324362.db2.gz UHLMIPZUVLDKKS-UHFFFAOYSA-N 0 0 411.421 4.612 50 5 HJBARN CCCCn1c(=O)nc2n(-c3cccc(C)c3C)c3cccc(Cl)c3cc-2c1=O ZINC000002258587 569325014 /nfs/dbraw/zinc/32/50/14/569325014.db2.gz LCXFQFGBIHRBMT-UHFFFAOYSA-N 0 0 407.901 4.723 50 5 HJBARN CC(C)Cn1cnc2c(c3nc4ccccc4nc3n2-c2ccc(F)c(Cl)c2)c1=O ZINC000002256564 569326393 /nfs/dbraw/zinc/32/63/93/569326393.db2.gz LZPZKYNTXYDZBS-UHFFFAOYSA-N 0 0 421.863 4.732 50 5 HJBARN COc1cc(-c2c3cnn(C)c3nc3c4ccc(O)c(C)c4oc32)cc(OC)c1OC ZINC000253398870 569365614 /nfs/dbraw/zinc/36/56/14/569365614.db2.gz CJFMIOOLHZZRDA-UHFFFAOYSA-N 0 0 419.437 4.575 50 5 biogenic HJBARN CCCCn1cnc2c(c3nc4ccccc4nc3n2-c2cccc(Cl)c2)c1=O ZINC000002333165 569375913 /nfs/dbraw/zinc/37/59/13/569375913.db2.gz HXRXEFLTBKUHPI-UHFFFAOYSA-N 0 0 403.873 4.737 50 5 HJBARN CC(C)c1ccc(CN(C(=O)COc2ccccc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000027662692 569388720 /nfs/dbraw/zinc/38/87/20/569388720.db2.gz OAOOONBMEHVTAX-UHFFFAOYSA-N 0 0 405.454 4.725 50 5 HJBARN O=C(COc1ccc2ccccc2c1Br)Nc1cc([N+](=O)[O-])ccc1F ZINC000008952022 569391067 /nfs/dbraw/zinc/39/10/67/569391067.db2.gz RJPCYUROQUOOSQ-UHFFFAOYSA-N 0 0 419.206 4.667 50 5 HJBARN O=C(NCc1ccccc1)[C@@H](Sc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000009191561 569391712 /nfs/dbraw/zinc/39/17/12/569391712.db2.gz JYXYRAJKQCWSIO-FQEVSTJZSA-N 0 0 418.478 4.621 50 5 HJBARN CCOCCCn1c(C)nc2c(c3nc4ccccc4nc3n2C2CCCCC2)c1=O ZINC000002418448 569397572 /nfs/dbraw/zinc/39/75/72/569397572.db2.gz BVPRENRNHQTMLV-UHFFFAOYSA-N 0 0 419.529 4.535 50 5 HJBARN O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000012788762 569403329 /nfs/dbraw/zinc/40/33/29/569403329.db2.gz NKUKSTALKJZXJP-UHFFFAOYSA-N 0 0 401.831 4.559 50 5 HJBARN C[C@H](Sc1nc(C(F)(F)F)nc2ccccc21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000013113326 569409203 /nfs/dbraw/zinc/40/92/03/569409203.db2.gz AETVRBJWWHJQCP-JTQLQIEISA-N 0 0 422.388 4.676 50 5 HJBARN O=C(CSc1nccn1-c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000013284050 569410517 /nfs/dbraw/zinc/41/05/17/569410517.db2.gz SVTHFTAUKBOEEB-UHFFFAOYSA-N 0 0 423.281 4.818 50 5 HJBARN O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000019799115 569430472 /nfs/dbraw/zinc/43/04/72/569430472.db2.gz UPQVOMLOAVUJTF-OQLLNIDSSA-N 0 0 419.256 4.594 50 5 HJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C ZINC000040130839 571182815 /nfs/dbraw/zinc/18/28/15/571182815.db2.gz ZGBIGGMZCPQMDB-UHFFFAOYSA-N 0 0 423.473 4.541 50 5 HJBARN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c12 ZINC000040130862 571182845 /nfs/dbraw/zinc/18/28/45/571182845.db2.gz UUMWFFGCGDJYMI-UHFFFAOYSA-N 0 0 407.474 4.841 50 5 HJBARN CC(C)[C@H](NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc2ccccc2[nH]1 ZINC000040157401 571204000 /nfs/dbraw/zinc/20/40/00/571204000.db2.gz HFDSQOXIVFQKTB-FQEVSTJZSA-N 0 0 404.426 4.858 50 5 HJBARN CC(C)[C@H](NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nc2ccccc2[nH]1 ZINC000040157386 571204026 /nfs/dbraw/zinc/20/40/26/571204026.db2.gz FSDJJMNVQXOVBZ-FQEVSTJZSA-N 0 0 404.426 4.858 50 5 HJBARN O=C1S/C(=C/c2ccc(Br)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000009232837 571239810 /nfs/dbraw/zinc/23/98/10/571239810.db2.gz FTLYMXAXUDFURW-OQLLNIDSSA-N 0 0 419.256 4.594 50 5 HJBARN Cc1nnc(S[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)s1 ZINC000009509369 571264016 /nfs/dbraw/zinc/26/40/16/571264016.db2.gz SZUFMMQUTLFZSD-HNNXBMFYSA-N 0 0 420.903 4.880 50 5 HJBARN C[C@H](Sc1ncnc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000009589127 571271673 /nfs/dbraw/zinc/27/16/73/571271673.db2.gz FTWRCASTKONFHI-JTQLQIEISA-N 0 0 422.388 4.676 50 5 HJBARN O=C(Nc1nc2c(ccc3ccccc23)s1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000009704672 571280613 /nfs/dbraw/zinc/28/06/13/571280613.db2.gz WUMJJXLURDGOOE-UHFFFAOYSA-N 0 0 415.434 4.796 50 5 HJBARN O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000004703746 132284027 /nfs/dbraw/zinc/28/40/27/132284027.db2.gz KLMSRPYKJVROON-UHFFFAOYSA-N 0 0 417.937 4.503 50 5 HJBARN COc1ccc(-c2cc(C3CCN(c4ccc(C(C)=O)cc4[N+](=O)[O-])CC3)[nH]n2)cc1 ZINC000008577957 132330302 /nfs/dbraw/zinc/33/03/02/132330302.db2.gz FLATXKIJZOSKEB-UHFFFAOYSA-N 0 0 420.469 4.580 50 5 aggregator HJBARN O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c32)C(=O)N1c1cccc2ccccc21 ZINC000009031801 132335026 /nfs/dbraw/zinc/33/50/26/132335026.db2.gz QPFMMPZQICEPSS-UHFFFAOYSA-N 0 0 413.345 4.610 50 5 HJBARN CCOc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1ccncc1 ZINC000032034647 520667775 /nfs/dbraw/zinc/66/77/75/520667775.db2.gz UVHQZNWHWNCHPA-UHFFFAOYSA-N 0 0 407.426 4.528 50 5 HJBARN CCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)cc1[N+](=O)[O-] ZINC000032001722 520917795 /nfs/dbraw/zinc/91/77/95/520917795.db2.gz FPIZZSIHCXWEFH-UHFFFAOYSA-N 0 0 420.469 4.784 50 5 HJBARN Cc1nn(Cc2ccc(C(=O)Oc3cccc4ccccc43)cc2)c(C)c1[N+](=O)[O-] ZINC000032738569 526288349 /nfs/dbraw/zinc/28/83/49/526288349.db2.gz DYBODTCYOJMCQB-UHFFFAOYSA-N 0 0 401.422 4.829 50 5 HJBARN O=C(Nc1ccccc1)N1CCCCC[C@H]1C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000071889361 557294848 /nfs/dbraw/zinc/29/48/48/557294848.db2.gz RYZUCYJRVCXIII-FQEVSTJZSA-N 0 0 423.517 4.683 50 5 HJBARN O=[N+]([O-])c1ccc(OCc2nnc(-c3ccccc3Br)o2)c(Cl)c1 ZINC000020864532 558417826 /nfs/dbraw/zinc/41/78/26/558417826.db2.gz GBZAHZHORSQYNU-UHFFFAOYSA-N 0 0 410.611 4.640 50 5 HJBARN Cc1c2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2oc(=O)c1-c1ccccc1 ZINC000004340746 558424792 /nfs/dbraw/zinc/42/47/92/558424792.db2.gz SUQSUUAVMFCTGF-UHFFFAOYSA-N 0 0 401.374 4.896 50 5 HJBARN O=C(Nc1nnc(Cc2ccc([N+](=O)[O-])cc2)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000017147782 558824233 /nfs/dbraw/zinc/82/42/33/558824233.db2.gz HQQAEIITSROWTQ-UHFFFAOYSA-N 0 0 424.269 4.988 50 5 HJBARN CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2ccccc2Cl)N[C@@H](c2ccccc2Cl)[C@H]1[N+](=O)[O-] ZINC000036082454 558857374 /nfs/dbraw/zinc/85/73/74/558857374.db2.gz UPLODQWJFKBBKR-FZDBZEDMSA-N 0 0 424.284 4.696 50 5 HJBARN O=[N+]([O-])c1cccc([C@@H]2Oc3ccc([N+](=O)[O-])cc3[C@@H]3CC(c4ccccc4)=NN32)c1 ZINC000013757575 558865289 /nfs/dbraw/zinc/86/52/89/558865289.db2.gz GEQLPMYGOSCNJN-UNMCSNQZSA-N 0 0 416.393 4.745 50 5 HJBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000004725239 558923051 /nfs/dbraw/zinc/92/30/51/558923051.db2.gz FKPQCUOYQZSAEI-UHFFFAOYSA-N 0 0 402.385 4.839 50 5 HJBARN O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000011523995 559087316 /nfs/dbraw/zinc/08/73/16/559087316.db2.gz ZDCOLTYGAPHRON-UHFFFAOYSA-N 0 0 402.863 4.710 50 5 HJBARN Cc1ccc(N(Cc2ccco2)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1 ZINC000014114126 559151459 /nfs/dbraw/zinc/15/14/59/559151459.db2.gz UUFJRSNKIURDKQ-UHFFFAOYSA-N 0 0 400.456 4.509 50 5 HJBARN COc1cccc(NC(=O)c2sc3nc(-c4cccc([N+](=O)[O-])c4)cn3c2C)c1 ZINC000004931126 559209779 /nfs/dbraw/zinc/20/97/79/559209779.db2.gz KYEJVFNXCSIOKN-UHFFFAOYSA-N 0 0 408.439 4.540 50 5 HJBARN COc1ccc(CN(C(=O)COc2ccc(C)cc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004950015 559214955 /nfs/dbraw/zinc/21/49/55/559214955.db2.gz VEGYAYPRLHVNNA-UHFFFAOYSA-N 0 0 406.438 4.524 50 5 HJBARN O=[N+]([O-])c1cccc(-c2ccc(CN3CCN(C/C=C/c4ccccc4)CC3)o2)c1 ZINC000004986423 559223376 /nfs/dbraw/zinc/22/33/76/559223376.db2.gz KPYAWIFXQKIFBV-VMPITWQZSA-N 0 0 403.482 4.686 50 5 HJBARN COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000005041703 559235437 /nfs/dbraw/zinc/23/54/37/559235437.db2.gz VRKJTOFTBBOIGT-UHFFFAOYSA-N 0 0 403.794 4.667 50 5 HJBARN Cc1nc2c(c3nc4ccccc4nc3n2Cc2ccccc2)c(=O)n1CCC(C)C ZINC000005156525 559260623 /nfs/dbraw/zinc/26/06/23/559260623.db2.gz ZKNDXFJIKVLOHP-UHFFFAOYSA-N 0 0 411.509 4.697 50 5 HJBARN Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000002649395 560587050 /nfs/dbraw/zinc/58/70/50/560587050.db2.gz SPFKHXJMSXJKNY-VAWYXSNFSA-N 0 0 411.845 4.558 50 5 HJBARN Cc1cccc(NC(=O)COc2cc(O)c3c(c2)oc2c(C)cccc2c3=O)c1C ZINC000005450844 560590119 /nfs/dbraw/zinc/59/01/19/560590119.db2.gz HUMFKTVPQNPCFW-UHFFFAOYSA-N 0 0 403.434 4.595 50 5 HJBARN O=[N+]([O-])c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000005576786 560624608 /nfs/dbraw/zinc/62/46/08/560624608.db2.gz UEXIVPKUBVSPOF-XXBNENTESA-N 0 0 415.405 4.566 50 5 HJBARN Cc1ccc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)oc3ccccc3c2=O)cc1 ZINC000101333153 560791976 /nfs/dbraw/zinc/79/19/76/560791976.db2.gz LMRRMQSHMGQYOT-UHFFFAOYSA-N 0 0 400.390 4.929 50 5 HJBARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(NCCC4=CCCCC4)c([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000102642548 560819704 /nfs/dbraw/zinc/81/97/04/560819704.db2.gz CCQQOTBPMUURGU-AYOQOUSVSA-N 0 0 411.502 4.823 50 5 HJBARN O=c1c2ccccc2oc2nc(-c3cccc([N+](=O)[O-])c3)n3c4ccccc4nc3c12 ZINC000005207522 568417453 /nfs/dbraw/zinc/41/74/53/568417453.db2.gz UAJMZZPLMQXZAA-UHFFFAOYSA-N 0 0 408.373 4.717 50 5 HJBARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000000656944 568457695 /nfs/dbraw/zinc/45/76/95/568457695.db2.gz ACNOCPNJKDQXNU-UHFFFAOYSA-N 0 0 424.478 4.990 50 5 HJBARN COC(=O)c1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000000753136 568470643 /nfs/dbraw/zinc/47/06/43/568470643.db2.gz BZUMKCLQUMPLHI-UHFFFAOYSA-N 0 0 403.605 4.594 50 5 HJBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc(Br)cc1 ZINC000000834550 568501528 /nfs/dbraw/zinc/50/15/28/568501528.db2.gz GXBSJPHOLFOMRN-UHFFFAOYSA-N 0 0 424.301 4.698 50 5 HJBARN CCOC(=O)c1c2cc(Oc3c([N+](=O)[O-])ncn3C)ccc2oc1-c1ccccc1 ZINC000000848460 568553534 /nfs/dbraw/zinc/55/35/34/568553534.db2.gz UJHGRDVYTTVJFD-UHFFFAOYSA-N 0 0 407.382 4.711 50 5 HJBARN COc1ccc(/C=C\c2nc3ccc([N+](=O)[O-])cc3c(=O)n2-c2ccc(C)cc2)cc1 ZINC000020105419 568588085 /nfs/dbraw/zinc/58/80/85/568588085.db2.gz UPUDNMIMNMDDBG-AUWJEWJLSA-N 0 0 413.433 4.781 50 5 HJBARN O=c1cc(CN2CCN(C/C=C/c3ccccc3)CC2)c2c(ccc3ccccc32)o1 ZINC000020412535 568605750 /nfs/dbraw/zinc/60/57/50/568605750.db2.gz DRKFODLCHJHPOM-RMKNXTFCSA-N 0 0 410.517 4.777 50 5 HJBARN Cc1cccc(/N=c2\oc3ccc([N+](=O)[O-])cc3cc2C(=O)Nc2nccs2)c1C ZINC000020616605 568638333 /nfs/dbraw/zinc/63/83/33/568638333.db2.gz KRWUWRPNTKTFCS-ATJXCDBQSA-N 0 0 420.450 4.899 50 5 HJBARN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCc1ccc(Cn2cncn2)cc1 ZINC000095946785 568664516 /nfs/dbraw/zinc/66/45/16/568664516.db2.gz JIMHUMNZJKXLHL-UHFFFAOYSA-N 0 0 411.771 4.519 50 5 HJBARN O=C(C[C@@H](c1c[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1)NCc1ccco1 ZINC000096276570 568715283 /nfs/dbraw/zinc/71/52/83/568715283.db2.gz SXWNHVLCWIXPOX-GOSISDBHSA-N 0 0 407.401 4.647 50 5 HJBARN CCC(=O)N(c1ccc(C)cc1)C1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000034683308 568733704 /nfs/dbraw/zinc/73/37/04/568733704.db2.gz FYSMGPRGJJPBSX-UHFFFAOYSA-N 0 0 415.921 4.964 50 5 HJBARN CCN(C(=O)c1cc(C(=O)N(CC)c2ccccc2)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000000970796 568758860 /nfs/dbraw/zinc/75/88/60/568758860.db2.gz ICCBWUHQIKANKO-UHFFFAOYSA-N 0 0 417.465 4.928 50 5 HJBARN Cc1cc([N+](=O)[O-])ccc1-n1nnnc1C1(Nc2ccc(Cl)cc2)CCCCC1 ZINC000096593905 568763545 /nfs/dbraw/zinc/76/35/45/568763545.db2.gz BIFUQYORHMQDCX-UHFFFAOYSA-N 0 0 412.881 4.804 50 5 HJBARN Cc1ccc2c(c1)c1c3n2CCCN(Cc2cc4c(cc2[N+](=O)[O-])OCO4)[C@@H]3CCC1 ZINC000022078046 568764535 /nfs/dbraw/zinc/76/45/35/568764535.db2.gz BNPNRADZMAVNJP-HXUWFJFHSA-N 0 0 419.481 4.870 50 5 HJBARN CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1[N+](=O)[O-] ZINC000001143698 568772320 /nfs/dbraw/zinc/77/23/20/568772320.db2.gz OOOIRBWWVQJIKS-UHFFFAOYSA-N 0 0 411.439 4.560 50 5 HJBARN O=C1N/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000001145007 568772528 /nfs/dbraw/zinc/77/25/28/568772528.db2.gz IHPXZMAAIGGCFQ-GZTJUZNOSA-N 0 0 423.812 4.601 50 5 HJBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000001154170 568774237 /nfs/dbraw/zinc/77/42/37/568774237.db2.gz AGSWKRGRAVZHQO-UHFFFAOYSA-N 0 0 401.378 4.669 50 5 HJBARN COc1ccc(C(=O)Nc2ccc3oc(-c4cccc(C)c4)nc3c2)cc1[N+](=O)[O-] ZINC000001158802 568774428 /nfs/dbraw/zinc/77/44/28/568774428.db2.gz FEBXKTQGEQUSTI-UHFFFAOYSA-N 0 0 403.394 4.972 50 5 HJBARN O=c1c2ccccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1Cc1ccc(F)cc1 ZINC000002645761 568794942 /nfs/dbraw/zinc/79/49/42/568794942.db2.gz ZZVVXRYXLMIUSR-UHFFFAOYSA-N 0 0 421.453 4.784 50 5 HJBARN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Sc1ccccc1 ZINC000002663978 568799899 /nfs/dbraw/zinc/79/98/99/568799899.db2.gz VQWVKEPOJZPYPQ-UHFFFAOYSA-N 0 0 408.435 4.542 50 5 HJBARN O=C(Nc1ccn(Cc2c(F)cccc2Cl)n1)c1cc([N+](=O)[O-])ccc1Cl ZINC000002764173 568807114 /nfs/dbraw/zinc/80/71/14/568807114.db2.gz RLTIKLCKZLHDGN-UHFFFAOYSA-N 0 0 409.204 4.538 50 5 HJBARN O=C(CSc1nccc(-c2ccc3ccccc3c2)n1)Nc1cccc([N+](=O)[O-])c1 ZINC000002805494 568810914 /nfs/dbraw/zinc/81/09/14/568810914.db2.gz NEJCJFPGWAKJKQ-UHFFFAOYSA-N 0 0 416.462 4.936 50 5 HJBARN O=C(COc1ccc(Br)cc1Cl)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002874267 568813911 /nfs/dbraw/zinc/81/39/11/568813911.db2.gz BKXZSYOUYXASAH-UHFFFAOYSA-N 0 0 420.046 4.682 50 5 HJBARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1-2 ZINC000002920509 568816742 /nfs/dbraw/zinc/81/67/42/568816742.db2.gz GIUZSAGYAHXZCT-SFHVURJKSA-N 0 0 409.471 4.842 50 5 HJBARN CCCCSc1nnc2c(n1)O[C@@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1-2 ZINC000002920868 568816848 /nfs/dbraw/zinc/81/68/48/568816848.db2.gz JCJMQQUYMSOKCK-SFHVURJKSA-N 0 0 409.471 4.842 50 5 HJBARN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001185254 568821901 /nfs/dbraw/zinc/82/19/01/568821901.db2.gz WUTGVGSZUXFZGB-FARCUNLSSA-N 0 0 411.639 4.671 50 5 HJBARN Cc1cccc(-c2nc3cc(NC(=O)COc4ccc([N+](=O)[O-])cc4)ccc3o2)c1 ZINC000001207311 568823447 /nfs/dbraw/zinc/82/34/47/568823447.db2.gz ORLHQUVFEAVLFH-UHFFFAOYSA-N 0 0 403.394 4.729 50 5 HJBARN O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000001206004 568823545 /nfs/dbraw/zinc/82/35/45/568823545.db2.gz DETUCXLREIAQIE-UHFFFAOYSA-N 0 0 401.831 4.635 50 5 HJBARN CC(C)C[C@H]1N=C2c3ccccc3N=C(SCc3ccc([N+](=O)[O-])cc3)N2C1=O ZINC000002964492 568830807 /nfs/dbraw/zinc/83/08/07/568830807.db2.gz SXZSZTMHRFIXHW-GOSISDBHSA-N 0 0 408.483 4.533 50 5 HJBARN O=C(Oc1ccc2oc(=O)sc2c1)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000002978460 568831589 /nfs/dbraw/zinc/83/15/89/568831589.db2.gz BFPDMISARNZMEW-UHFFFAOYSA-N 0 0 407.812 4.850 50 5 HJBARN O=C(NC(c1ccccc1)c1ccccc1)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1 ZINC000005946628 568831658 /nfs/dbraw/zinc/83/16/58/568831658.db2.gz KRIHWCSMSQOCJA-UHFFFAOYSA-N 0 0 411.801 4.676 50 5 HJBARN COc1ccc(CNC(=O)c2ccc3c4nc5ccccc5n4c(=S)[nH]c3c2)cc1 ZINC000002970394 568831741 /nfs/dbraw/zinc/83/17/41/568831741.db2.gz VXUFPAXUBQBVEA-UHFFFAOYSA-N 0 0 414.490 4.637 50 5 HJBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCSCc1ccc(Cl)cc1Cl ZINC000002989022 568834456 /nfs/dbraw/zinc/83/44/56/568834456.db2.gz IJEIRPXHYGVPRS-FPYGCLRLSA-N 0 0 411.310 4.964 50 5 HJBARN O=C(CCn1cnc([N+](=O)[O-])c1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000012525446 568842712 /nfs/dbraw/zinc/84/27/12/568842712.db2.gz YQZOCEABWGUFSI-UHFFFAOYSA-N 0 0 419.466 4.611 50 5 HJBARN COCCCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1Cl ZINC000003293476 568852672 /nfs/dbraw/zinc/85/26/72/568852672.db2.gz VSPBUFPLCSRXOK-UHFFFAOYSA-N 0 0 418.906 4.836 50 5 HJBARN Cc1ccc(CSCCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 ZINC000012607825 568871488 /nfs/dbraw/zinc/87/14/88/568871488.db2.gz DTBUXHMYXLZQQI-UHFFFAOYSA-N 0 0 416.546 4.513 50 5 HJBARN O=C(N[C@@H](Sc1ccccc1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000001232892 568880693 /nfs/dbraw/zinc/88/06/93/568880693.db2.gz ARYBHBSMPRKQOS-AWEZNQCLSA-N 0 0 405.690 4.813 50 5 HJBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000003400332 568894422 /nfs/dbraw/zinc/89/44/22/568894422.db2.gz GWTBIIZBRJLZPB-OAQYLSRUSA-N 0 0 407.857 4.991 50 5 HJBARN Cc1nn(CC(=O)c2ccc(-c3ccc(Br)cc3)cc2)c(C)c1[N+](=O)[O-] ZINC000003441926 568903871 /nfs/dbraw/zinc/90/38/71/568903871.db2.gz MWYBSJWZTJYGKK-UHFFFAOYSA-N 0 0 414.259 4.721 50 5 HJBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccccc1Br ZINC000003530477 568912998 /nfs/dbraw/zinc/91/29/98/568912998.db2.gz VGDCOIZAFNYGJK-UHFFFAOYSA-N 0 0 424.301 4.698 50 5 HJBARN Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)cc12 ZINC000058407165 568916501 /nfs/dbraw/zinc/91/65/01/568916501.db2.gz PKWFIJSHJNHIJG-ZDUSSCGKSA-N 0 0 406.467 4.795 50 5 HJBARN COC(=O)c1sc2cc([N+](=O)[O-])cc(Sc3ccccc3)c2c1NC(C)=O ZINC000003617968 568919768 /nfs/dbraw/zinc/91/97/68/568919768.db2.gz NOGUMYYCACORKW-UHFFFAOYSA-N 0 0 402.453 4.706 50 5 HJBARN Cc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C)CC4)cc1[N+](=O)[O-] ZINC000004149965 568946716 /nfs/dbraw/zinc/94/67/16/568946716.db2.gz OGUZPMXAEPZNPF-LBPRGKRZSA-N 0 0 400.456 4.575 50 5 HJBARN O=C(N[C@H]1CCSc2c(F)cccc21)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000084383290 568948405 /nfs/dbraw/zinc/94/84/05/568948405.db2.gz LPTFBMJCYZRRCX-HNNXBMFYSA-N 0 0 415.471 4.824 50 5 HJBARN O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000084393496 568948551 /nfs/dbraw/zinc/94/85/51/568948551.db2.gz PBKWUTLBCJRWMT-DOTOQJQBSA-N 0 0 400.793 4.933 50 5 HJBARN CC(C)Cn1c2ccccc2nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004254507 568955543 /nfs/dbraw/zinc/95/55/43/568955543.db2.gz LTYSTQPLYDMDJW-UHFFFAOYSA-N 0 0 418.906 4.985 50 5 HJBARN CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000015670860 568960861 /nfs/dbraw/zinc/96/08/61/568960861.db2.gz FNCOMGZKSPISGR-XMMPIXPASA-N 0 0 415.449 4.703 50 5 HJBARN Cc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)C2CCCCC2)cc1 ZINC000038200612 568978995 /nfs/dbraw/zinc/97/89/95/568978995.db2.gz MZMIYCDUTHAKLB-QNGOZBTKSA-N 0 0 407.470 4.579 50 5 HJBARN Cc1cc(C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c(C)n1CCc1ccc(Cl)cc1 ZINC000008394993 568999180 /nfs/dbraw/zinc/99/91/80/568999180.db2.gz LKSMNQWVGSYMSG-UHFFFAOYSA-N 0 0 414.893 4.605 50 5 HJBARN O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000015821669 569010457 /nfs/dbraw/zinc/01/04/57/569010457.db2.gz ZHYGTHFNJXBJAZ-UHFFFAOYSA-N 0 0 414.676 4.517 50 5 HJBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000015838271 569013597 /nfs/dbraw/zinc/01/35/97/569013597.db2.gz FCGVSFKGOCXSCX-NRFANRHFSA-N 0 0 402.406 4.610 50 5 HJBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1nnc(-c2cccc(C(F)(F)F)c2)o1 ZINC000012901373 569020802 /nfs/dbraw/zinc/02/08/02/569020802.db2.gz XYRGTGQPUKJZLK-UHFFFAOYSA-N 0 0 420.347 4.543 50 5 HJBARN Cc1cc([N+](=O)[O-])c(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1C ZINC000016268012 569030393 /nfs/dbraw/zinc/03/03/93/569030393.db2.gz RFWMRHMWILQRIA-ULBZPVTCSA-N 0 0 424.456 4.608 50 5 HJBARN COc1ccc(NS(=O)(=O)c2ccc(NC3CCCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000089453625 569060638 /nfs/dbraw/zinc/06/06/38/569060638.db2.gz NDPRUHXLYZYQFG-UHFFFAOYSA-N 0 0 419.503 4.539 50 5 HJBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCc2c(c3ccccc3n2Cc2ccccc2)C1 ZINC000035972886 569069575 /nfs/dbraw/zinc/06/95/75/569069575.db2.gz ODQKKPDTBBPQRN-UHFFFAOYSA-N 0 0 411.461 4.796 50 5 HJBARN Cc1cccc(CN(c2cccc(Cl)c2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000036247969 569117227 /nfs/dbraw/zinc/11/72/27/569117227.db2.gz CBFDJFJRILNJOA-UHFFFAOYSA-N 0 0 416.886 4.952 50 5 HJBARN CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@H]1[N+](=O)[O-] ZINC000239433284 569233902 /nfs/dbraw/zinc/23/39/02/569233902.db2.gz XLUWPBDJPCVERE-WNRNVDISSA-N 0 0 424.284 4.696 50 5 aggregator HJBARN C[C@@H](c1ccccc1)n1c(-c2ccccc2)nc2c(c(=O)c3ccccc3n2C)c1=O ZINC000002213641 569308397 /nfs/dbraw/zinc/30/83/97/569308397.db2.gz PPQLOESNSIGBHQ-KRWDZBQOSA-N 0 0 407.473 4.525 50 5 HJBARN CCCCCn1cnc2c(c3nc4ccccc4nc3n2-c2cccc(F)c2)c1=O ZINC000002228411 569317373 /nfs/dbraw/zinc/31/73/73/569317373.db2.gz PEULAKDSHRSRHQ-UHFFFAOYSA-N 0 0 401.445 4.613 50 5 HJBARN Cc1cc(N2C(=O)c3oc4c5ccccc5ccc4c(=O)c3[C@@H]2c2ccccc2)no1 ZINC000002241820 569323635 /nfs/dbraw/zinc/32/36/35/569323635.db2.gz LYZFHLBDDQBFPC-NRFANRHFSA-N 0 0 408.413 4.992 50 5 HJBARN O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccccc1OCc1ccccc1 ZINC000002302729 569372200 /nfs/dbraw/zinc/37/22/00/569372200.db2.gz BPVUBZLJGSDDFZ-ZHZULCJRSA-N 0 0 400.390 4.518 50 5 HJBARN O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000002323814 569375037 /nfs/dbraw/zinc/37/50/37/569375037.db2.gz LCAFZKLPQFWFAO-UHFFFAOYSA-N 0 0 418.430 4.911 50 5 HJBARN O=C(COc1ccccc1[N+](=O)[O-])N(Cc1cccc2ccccc21)c1ccccn1 ZINC000027662774 569388729 /nfs/dbraw/zinc/38/87/29/569388729.db2.gz ZDIZKDHQUJWCGD-UHFFFAOYSA-N 0 0 413.433 4.755 50 5 HJBARN Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2nc3c(c(-c4ccco4)c12)CCC3 ZINC000009015822 569391170 /nfs/dbraw/zinc/39/11/70/569391170.db2.gz RFSHLQARSJSRRR-UHFFFAOYSA-N 0 0 420.450 4.788 50 5 HJBARN CC(C)C(=O)OCCN1c2ccccc2C(C)(C)[C@]12C=Cc1cc([N+](=O)[O-])ccc1O2 ZINC000002445985 569401307 /nfs/dbraw/zinc/40/13/07/569401307.db2.gz AKBUTLVXVCNMID-XMMPIXPASA-N 0 0 422.481 4.694 50 5 HJBARN Cc1c(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000012919370 569405047 /nfs/dbraw/zinc/40/50/47/569405047.db2.gz JULQJGNSZNXRAL-HXUWFJFHSA-N 0 0 413.524 4.612 50 5 HJBARN CCN(C(=O)CN(C)Cc1cc([N+](=O)[O-])ccc1Cl)c1cccc2ccccc21 ZINC000013011674 569406697 /nfs/dbraw/zinc/40/66/97/569406697.db2.gz IQPLTZOPQUFOEA-UHFFFAOYSA-N 0 0 411.889 4.886 50 5 HJBARN O=[N+]([O-])c1cccnc1N1CCC(c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)CC1 ZINC000013142644 569409968 /nfs/dbraw/zinc/40/99/68/569409968.db2.gz GQQISVVLMAVEAG-UHFFFAOYSA-N 0 0 417.391 4.783 50 5 HJBARN COC(=O)c1c(NC(=S)Nc2ccc(F)cc2[N+](=O)[O-])sc2c1CCCCC2 ZINC000013153231 569410105 /nfs/dbraw/zinc/41/01/05/569410105.db2.gz ZWPGINLNSOSFIM-UHFFFAOYSA-N 0 0 423.491 4.660 50 5 aggregator HJBARN CCc1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)c1ccccc1[N+](=O)[O-] ZINC000013370009 569412728 /nfs/dbraw/zinc/41/27/28/569412728.db2.gz JAKODLBHSCLAQG-MJGOQNOKSA-N 0 0 423.517 4.627 50 5 biogenic HJBARN O=c1[nH]n(C2CCCCC2)c2nc3c4ccc(O)cc4oc3c(-c3cccnc3)c12 ZINC000079195984 569429501 /nfs/dbraw/zinc/42/95/01/569429501.db2.gz KMOLPRBWNUSXEC-UHFFFAOYSA-N 0 0 400.438 4.897 50 5 biogenic HJBARN Cc1c2oc3c(nc4c(c(=O)[nH]n4C4CCCC4)c3-c3cnn(C)c3)c2ccc1O ZINC000079489501 569432359 /nfs/dbraw/zinc/43/23/59/569432359.db2.gz WBFNRADZZVCALL-UHFFFAOYSA-N 0 0 403.442 4.566 50 5 HJBARN COc1ccc(CN(C)c2ccc(-c3nc(-c4ccccc4)no3)cc2[N+](=O)[O-])cc1 ZINC000008587032 571083432 /nfs/dbraw/zinc/08/34/32/571083432.db2.gz KNKIZCZMRVWKRQ-UHFFFAOYSA-N 0 0 416.437 4.957 50 5 HJBARN COc1ccc(-c2noc(-c3ccc(NCc4ccco4)c([N+](=O)[O-])c3)n2)cc1OC ZINC000008586955 571083438 /nfs/dbraw/zinc/08/34/38/571083438.db2.gz LHMQNIHJCXKGKA-UHFFFAOYSA-N 0 0 422.397 4.534 50 5 aggregator HJBARN C[C@@H](Cc1ccccc1Cl)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000040111962 571170013 /nfs/dbraw/zinc/17/00/13/571170013.db2.gz BCRIRDZPPWNLIT-INIZCTEOSA-N 0 0 404.897 4.556 50 5 HJBARN CCc1ccc([C@H]2N[C@@H](c3ccc(CC)cc3)[C@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])cc1 ZINC000245326388 571224508 /nfs/dbraw/zinc/22/45/08/571224508.db2.gz JTRXAGQKEBNGGS-LRSLUSHPSA-N 0 0 411.502 4.514 50 5 aggregator HJBARN O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000009226435 571238986 /nfs/dbraw/zinc/23/89/86/571238986.db2.gz SSRDDMWLBMTKJT-UHFFFAOYSA-N 0 0 407.813 4.986 50 5 HJBARN O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc2ccccc2o1 ZINC000003003036 571306670 /nfs/dbraw/zinc/30/66/70/571306670.db2.gz MLSGFYGELZANBD-UHFFFAOYSA-N 0 0 424.463 4.591 50 5 HJBARN Cc1c(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000009569232 132234107 /nfs/dbraw/zinc/23/41/07/132234107.db2.gz OXXOJJFMYBSLAY-UHFFFAOYSA-N 0 0 421.478 4.810 50 5 HJBARN O=C(Nc1ccc(Br)cc1F)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000009715264 132237931 /nfs/dbraw/zinc/23/79/31/132237931.db2.gz WBLYFIOAAWULRX-UHFFFAOYSA-N 0 0 422.254 4.739 50 5 HJBARN C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)c(Cl)c1 ZINC000012512304 132361224 /nfs/dbraw/zinc/36/12/24/132361224.db2.gz OHUTVTBTETWICX-CYBMUJFWSA-N 0 0 422.312 4.995 50 5 HJBARN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)Cc1ccccc1 ZINC000012595730 521609827 /nfs/dbraw/zinc/60/98/27/521609827.db2.gz QZCRYZOYQHGZIZ-UHFFFAOYSA-N 0 0 410.451 4.681 50 5 HJBARN COc1cccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccccc3[N+](=O)[O-])C2)c1 ZINC000225849573 525858569 /nfs/dbraw/zinc/85/85/69/525858569.db2.gz SMUYQANYTQXRKX-LJQANCHMSA-N 0 0 407.451 4.656 50 5 HJBARN Cc1nc(CSc2nnc(Cc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cs1 ZINC000001422658 526916865 /nfs/dbraw/zinc/91/68/65/526916865.db2.gz YVPNLEHKACMRHO-UHFFFAOYSA-N 0 0 423.523 4.824 50 5 HJBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000032900609 527629222 /nfs/dbraw/zinc/62/92/22/527629222.db2.gz JBOICKAQIOBFST-OUKQBFOZSA-N 0 0 402.410 4.891 50 5 HJBARN CC(C)c1ccc(O[P@](C)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004697701 535373370 /nfs/dbraw/zinc/37/33/70/535373370.db2.gz KOCPINVNGRHPQH-NDEPHWFRSA-N 0 0 403.419 4.742 50 5 HJBARN O=C(Nc1ccnn1Cc1cccc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000071924733 558446987 /nfs/dbraw/zinc/44/69/87/558446987.db2.gz FTNKVGOHEWCYDE-UHFFFAOYSA-N 0 0 406.829 4.899 50 5 HJBARN Cc1nn([C@H]2CCOC(C)(C)C2)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)SCC(=O)N2 ZINC000004396743 558486508 /nfs/dbraw/zinc/48/65/08/558486508.db2.gz VJLFXQVWARDSSI-YJBOKZPZSA-N 0 0 416.503 4.654 50 5 HJBARN COc1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1OC1CCCC1 ZINC000024506757 558599705 /nfs/dbraw/zinc/59/97/05/558599705.db2.gz MUCWBWPHCMIELG-UHFFFAOYSA-N 0 0 413.474 4.756 50 5 HJBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(-c2nc3ccccc3s2)cc1 ZINC000004499629 558609329 /nfs/dbraw/zinc/60/93/29/558609329.db2.gz AQQNACUDPXLJTP-UHFFFAOYSA-N 0 0 401.403 4.672 50 5 HJBARN CC(C)COC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000004526206 558653607 /nfs/dbraw/zinc/65/36/07/558653607.db2.gz VRSUYBOXBPCTRN-STZFKDTASA-N 0 0 424.497 4.862 50 5 HJBARN CC[C@H](NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 ZINC000004578095 558754505 /nfs/dbraw/zinc/75/45/05/558754505.db2.gz ODSYFWGBTKBMKT-VLZNNYHMSA-N 0 0 412.939 4.522 50 5 HJBARN O=c1c2ccccc2nc(/C=C\c2ccc(F)c(F)c2)n1-c1ccc([N+](=O)[O-])cc1 ZINC000033096841 558872850 /nfs/dbraw/zinc/87/28/50/558872850.db2.gz QBHZABJWXJMFJA-SDQBBNPISA-N 0 0 405.360 4.743 50 5 HJBARN COc1ccccc1CNc1ccc(C(=O)Nc2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000004668077 558878049 /nfs/dbraw/zinc/87/80/49/558878049.db2.gz LOIOKHAIHKNZHF-UHFFFAOYSA-N 0 0 413.380 4.746 50 5 HJBARN O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000013893911 558891345 /nfs/dbraw/zinc/89/13/45/558891345.db2.gz CYRWYBREYCQYDR-UHFFFAOYSA-N 0 0 419.412 4.579 50 5 HJBARN CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCCC2 ZINC000004713592 558917962 /nfs/dbraw/zinc/91/79/62/558917962.db2.gz DEYAMPVZZQQXFD-UHFFFAOYSA-N 0 0 408.863 4.618 50 5 HJBARN COc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000033337951 559063598 /nfs/dbraw/zinc/06/35/98/559063598.db2.gz KNFUBLXCBVXNES-NDENLUEZSA-N 0 0 420.446 4.993 50 5 HJBARN O=C(Nc1ccccc1[N+](=O)[O-])c1ccccc1-c1nc(-c2ccccc2F)no1 ZINC000004825682 559147327 /nfs/dbraw/zinc/14/73/27/559147327.db2.gz DTSGOHLSZPVYID-UHFFFAOYSA-N 0 0 404.357 4.703 50 5 HJBARN O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000004917769 559204429 /nfs/dbraw/zinc/20/44/29/559204429.db2.gz QFDVUQJSWNWFJO-UHFFFAOYSA-N 0 0 409.829 4.682 50 5 HJBARN Cc1ccc(C2=N/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=O)O2)cc1 ZINC000005058977 559237479 /nfs/dbraw/zinc/23/74/79/559237479.db2.gz RLJQXQFKOYULIS-HMAPJEAMSA-N 0 0 414.417 4.827 50 5 HJBARN COc1ccccc1Cn1c(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3nc21 ZINC000005065906 559239821 /nfs/dbraw/zinc/23/98/21/559239821.db2.gz KPVCPKKGWLAXAD-UHFFFAOYSA-N 0 0 411.421 4.612 50 5 HJBARN CC(=O)Oc1cn(-c2ccc(F)c(Cl)c2)c2nc(C)n3c4ccccc4nc3c12 ZINC000005236122 560548534 /nfs/dbraw/zinc/54/85/34/560548534.db2.gz YITRZUWFAZILKJ-UHFFFAOYSA-N 0 0 408.820 4.853 50 5 HJBARN CC(C)(C)C(=O)COc1cc(OCC(=O)C(C)(C)C)c2c(c1)oc1ccccc1c2=O ZINC000005342072 560567857 /nfs/dbraw/zinc/56/78/57/560567857.db2.gz OBCIMKLMHKRUEJ-UHFFFAOYSA-N 0 0 424.493 4.934 50 5 HJBARN Cc1cccc2c(=O)c3c(O)cc(OCC(=O)Nc4cccc(Cl)c4)cc3oc12 ZINC000005354049 560569364 /nfs/dbraw/zinc/56/93/64/560569364.db2.gz HUAUXSPHIQYMKW-UHFFFAOYSA-N 0 0 409.825 4.631 50 5 HJBARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003164601 560588420 /nfs/dbraw/zinc/58/84/20/560588420.db2.gz HOKHKYAKZJCQSP-UHFFFAOYSA-N 0 0 423.225 4.793 50 5 HJBARN CCC(=O)Oc1cn(-c2ccc(OC)cc2)c2nc(CC)n3c4ccccc4nc3c12 ZINC000005458321 560591642 /nfs/dbraw/zinc/59/16/42/560591642.db2.gz JKFMJONITVWZBX-UHFFFAOYSA-N 0 0 414.465 4.713 50 5 HJBARN CCc1nc2c3ccccc3oc2c(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000005478152 560595025 /nfs/dbraw/zinc/59/50/25/560595025.db2.gz MEQXJYZHVKXDHT-UHFFFAOYSA-N 0 0 408.439 4.577 50 5 HJBARN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000017960083 560731398 /nfs/dbraw/zinc/73/13/98/560731398.db2.gz WCNJXZKBPIQKMK-UHFFFAOYSA-N 0 0 422.510 4.799 50 5 HJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(COc2ccc(Cl)cc2)o1 ZINC000005661129 560732793 /nfs/dbraw/zinc/73/27/93/560732793.db2.gz NKTFUZUHEUGFAF-UHFFFAOYSA-N 0 0 402.790 4.681 50 5 HJBARN CCN(CC)Cc1nccn1-c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1Cl ZINC000000538096 560838976 /nfs/dbraw/zinc/83/89/76/560838976.db2.gz WZGBZLHGOVJDET-UHFFFAOYSA-N 0 0 412.877 4.507 50 5 in-man HJBARN O=[N+]([O-])c1ccccc1CSc1nnc(CN2CCCCC2)n1Cc1ccccc1 ZINC000012136067 560889438 /nfs/dbraw/zinc/88/94/38/560889438.db2.gz GTDRQQNTVAQFDJ-UHFFFAOYSA-N 0 0 423.542 4.513 50 5 HJBARN CCOC(=O)/C=C(\C)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1c1c[nH]c2ccccc21 ZINC000000663370 568459988 /nfs/dbraw/zinc/45/99/88/568459988.db2.gz BZKJFQNHVMHUPB-DAXPHYLKSA-N 0 0 418.453 4.694 50 5 HJBARN CCOC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000000786517 568474524 /nfs/dbraw/zinc/47/45/24/568474524.db2.gz UUQQDPAUPUZHMV-UHFFFAOYSA-N 0 0 408.863 4.618 50 5 HJBARN O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc([N+](=O)[O-])o1 ZINC000000830460 568504354 /nfs/dbraw/zinc/50/43/54/568504354.db2.gz SZVQNXACLPVCMR-UHFFFAOYSA-N 0 0 420.208 4.999 50 5 HJBARN CCOC(=O)c1c(N2CCCCC2)nc2ccc([N+](=O)[O-])cc2c1-c1ccccc1 ZINC000019927628 568585661 /nfs/dbraw/zinc/58/56/61/568585661.db2.gz SCJQXWZSISDCIC-UHFFFAOYSA-N 0 0 405.454 4.977 50 5 HJBARN CCCN(CCC)C(=O)c1oc2ccccc2c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000020900607 568649642 /nfs/dbraw/zinc/64/96/42/568649642.db2.gz VYTPSEDMYKXGBF-UHFFFAOYSA-N 0 0 409.442 4.856 50 5 HJBARN O=C(Nc1nnc(Cc2ccc(Cl)cc2Cl)s1)c1ccc([N+](=O)[O-])cc1 ZINC000000861818 568714510 /nfs/dbraw/zinc/71/45/10/568714510.db2.gz BDQJOMUHBBUMRG-UHFFFAOYSA-N 0 0 409.254 4.596 50 5 HJBARN CCCCN(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)/C=C/c1ccccc1 ZINC000096277147 568715855 /nfs/dbraw/zinc/71/58/55/568715855.db2.gz CKVQHPYSGOEZBD-OUKQBFOZSA-N 0 0 420.469 4.529 50 5 HJBARN CC[C@@H](C)[C@@H](NC(=O)/C=C/c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277153 568715859 /nfs/dbraw/zinc/71/58/59/568715859.db2.gz WQUNWVKFISFUEB-NSRAHZCOSA-N 0 0 406.442 4.562 50 5 HJBARN CC[C@H](C)[C@@H](NC(=O)/C=C/c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277154 568715945 /nfs/dbraw/zinc/71/59/45/568715945.db2.gz WQUNWVKFISFUEB-JUTLVYEUSA-N 0 0 406.442 4.562 50 5 HJBARN CC(C)(C)CC(=O)N(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000096277909 568716414 /nfs/dbraw/zinc/71/64/14/568716414.db2.gz SAPDVKGQHPYTEX-UHFFFAOYSA-N 0 0 422.485 4.652 50 5 HJBARN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)c1ccccc1 ZINC000000888311 568736900 /nfs/dbraw/zinc/73/69/00/568736900.db2.gz GNKYQTIVAYFCTP-UHFFFAOYSA-N 0 0 416.462 4.818 50 5 HJBARN O=C(NC(=S)N1CCCCC1)c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000001047386 568764618 /nfs/dbraw/zinc/76/46/18/568764618.db2.gz CWNPFUZAPRHZPM-UHFFFAOYSA-N 0 0 419.890 4.541 50 5 HJBARN CCOc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1[N+](=O)[O-] ZINC000001068987 568766030 /nfs/dbraw/zinc/76/60/30/568766030.db2.gz ZHPHQFBVNBNAEK-UHFFFAOYSA-N 0 0 418.409 4.757 50 5 HJBARN CCC(=O)Nc1ccc2nc(SCc3cc([N+](=O)[O-])ccc3OC)sc2c1 ZINC000001065786 568766542 /nfs/dbraw/zinc/76/65/42/568766542.db2.gz HQWIAHVYNBFYEG-UHFFFAOYSA-N 0 0 403.485 4.854 50 5 HJBARN Cc1ccc(C(=O)[C@H](C)Oc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 ZINC000001110500 568770393 /nfs/dbraw/zinc/77/03/93/568770393.db2.gz STQVTICGNBQXRN-INIZCTEOSA-N 0 0 404.422 4.806 50 5 HJBARN COc1ccc(OCC(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000001116925 568770804 /nfs/dbraw/zinc/77/08/04/568770804.db2.gz MKMHGHDEUMRCLP-UHFFFAOYSA-N 0 0 410.451 4.772 50 5 HJBARN COc1cccc([C@H]2CCCN2C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000025467901 568771748 /nfs/dbraw/zinc/77/17/48/568771748.db2.gz PSKLWLXTMQZBOE-HXUWFJFHSA-N 0 0 409.486 4.571 50 5 HJBARN C[C@H]1CCc2c(sc3nc(-c4ccc(-c5cccc([N+](=O)[O-])c5)o4)[nH]c(=O)c23)C1 ZINC000001137493 568773529 /nfs/dbraw/zinc/77/35/29/568773529.db2.gz XZRZTEHRNSVFAV-NSHDSACASA-N 0 0 407.451 4.945 50 5 HJBARN COc1ccccc1-c1coc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2c1=O ZINC000001133922 568773669 /nfs/dbraw/zinc/77/36/69/568773669.db2.gz MBUPLZLMBSISQG-UHFFFAOYSA-N 0 0 417.373 4.596 50 5 biogenic HJBARN COc1ccccc1-c1coc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2c1=O ZINC000001133335 568773743 /nfs/dbraw/zinc/77/37/43/568773743.db2.gz VMNAXWGQTOJPKO-UHFFFAOYSA-N 0 0 403.390 4.956 50 5 biogenic HJBARN CCc1ccc(C(=O)COC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000001165151 568775710 /nfs/dbraw/zinc/77/57/10/568775710.db2.gz YGJAGURVMMEBIQ-UHFFFAOYSA-N 0 0 405.406 4.989 50 5 HJBARN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000225735739 568780169 /nfs/dbraw/zinc/78/01/69/568780169.db2.gz YETXABURLMYIIA-PMACEKPBSA-N 0 0 402.516 4.583 50 5 HJBARN Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c([N+](=O)[O-])n1 ZINC000002663035 568799594 /nfs/dbraw/zinc/79/95/94/568799594.db2.gz PSWOYRCYEHGDMS-UHFFFAOYSA-N 0 0 413.817 4.761 50 5 HJBARN CC(C)OC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CCCCC2 ZINC000002750135 568806002 /nfs/dbraw/zinc/80/60/02/568806002.db2.gz LEACOGVTJSDXNA-UHFFFAOYSA-N 0 0 402.472 4.743 50 5 HJBARN Cc1cc(=O)oc2cc(OC(=O)CCSc3ccc([N+](=O)[O-])cc3Cl)ccc12 ZINC000002844383 568812869 /nfs/dbraw/zinc/81/28/69/568812869.db2.gz LQPCDJCVNZBIFP-UHFFFAOYSA-N 0 0 419.842 4.751 50 5 HJBARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000002883228 568814067 /nfs/dbraw/zinc/81/40/67/568814067.db2.gz APXPHIRQFHINRR-UHFFFAOYSA-N 0 0 419.393 4.673 50 5 HJBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1oc(=O)c2ccccc2c1-c1ccccc1 ZINC000002940123 568819021 /nfs/dbraw/zinc/81/90/21/568819021.db2.gz FLQCVQSDHNEYFL-UHFFFAOYSA-N 0 0 404.353 4.760 50 5 HJBARN COc1cccc2c1O[C@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c3ccccc3)C[C@@H]21 ZINC000025581549 568822443 /nfs/dbraw/zinc/82/24/43/568822443.db2.gz CWRAWRAZZSEDNZ-NZQKXSOJSA-N 0 0 401.422 4.846 50 5 HJBARN O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000001195917 568822735 /nfs/dbraw/zinc/82/27/35/568822735.db2.gz PCWUBRSIRHXRSG-UHFFFAOYSA-N 0 0 404.831 4.841 50 5 HJBARN O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl)c1ccco1 ZINC000001216980 568824883 /nfs/dbraw/zinc/82/48/83/568824883.db2.gz LSKCFKXFSQFQBW-UHFFFAOYSA-N 0 0 420.208 4.999 50 5 HJBARN CC[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2C(=O)OC)C1 ZINC000001217429 568824941 /nfs/dbraw/zinc/82/49/41/568824941.db2.gz ROTYBBMLGNVFME-JTQLQIEISA-N 0 0 422.890 4.864 50 5 HJBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@H]1c1ccc(F)cc1 ZINC000012540566 568848294 /nfs/dbraw/zinc/84/82/94/568848294.db2.gz DFXNNAJPZWVLML-NRFANRHFSA-N 0 0 400.453 4.658 50 5 HJBARN O=C(N[C@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000003118673 568856125 /nfs/dbraw/zinc/85/61/25/568856125.db2.gz RVHLVZIOUQAPDJ-AWEZNQCLSA-N 0 0 423.083 4.786 50 5 HJBARN Cc1ccc(Cl)c(NC(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1Cl ZINC000003242994 568866744 /nfs/dbraw/zinc/86/67/44/568866744.db2.gz IRPXJHRWVRJBHZ-UHFFFAOYSA-N 0 0 417.632 4.659 50 5 HJBARN CCN(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cccc2ccccc21 ZINC000003310171 568876406 /nfs/dbraw/zinc/87/64/06/568876406.db2.gz QEOBPASWHSSAAN-UHFFFAOYSA-N 0 0 412.829 4.611 50 5 HJBARN COc1ccc(C2=NN(C(=O)c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000001307259 568913722 /nfs/dbraw/zinc/91/37/22/568913722.db2.gz KBLHBVPAEBBJKD-JOCHJYFZSA-N 0 0 401.422 4.595 50 5 HJBARN O=[N+]([O-])c1cc(COc2ccc3ccc(C(F)(F)F)nc3c2)c2c(c1)COCO2 ZINC000058391781 568915870 /nfs/dbraw/zinc/91/58/70/568915870.db2.gz MLGLFSOZUTVIJQ-UHFFFAOYSA-N 0 0 406.316 4.607 50 5 HJBARN COc1cccc2c1O[C@H](c1ccc([N+](=O)[O-])cc1)N1N[C@H](c3ccc(C)cc3)C[C@@H]21 ZINC000019171730 568917202 /nfs/dbraw/zinc/91/72/02/568917202.db2.gz LFNIEMJFVXENHE-AWRGLXIESA-N 0 0 417.465 4.996 50 5 HJBARN COc1ccc([C@@H]2CCCCCN2C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000058427017 568917925 /nfs/dbraw/zinc/91/79/25/568917925.db2.gz SFDBTZUYYCRSHT-QFIPXVFZSA-N 0 0 407.470 4.702 50 5 HJBARN C[C@H](NC(=O)c1cc2c(nc1C(F)(F)F)oc1ccccc1c2=O)c1ccccc1 ZINC000001399846 568926033 /nfs/dbraw/zinc/92/60/33/568926033.db2.gz GIDPDCBPZWGNOK-LBPRGKRZSA-N 0 0 412.367 4.851 50 5 HJBARN Cc1cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)ccc1C(C)C ZINC000004040805 568935718 /nfs/dbraw/zinc/93/57/18/568935718.db2.gz IROTTYXXUIPGSC-UHFFFAOYSA-N 0 0 407.264 4.807 50 5 HJBARN CCCn1c2ccccc2c2nnc(Sc3ccc(C(C)=O)cc3[N+](=O)[O-])nc21 ZINC000001428579 568939579 /nfs/dbraw/zinc/93/95/79/568939579.db2.gz BFBDCNRVVDASRQ-UHFFFAOYSA-N 0 0 407.455 4.652 50 5 HJBARN O=C(OCCCCCc1nc2ccccc2s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000004135362 568945450 /nfs/dbraw/zinc/94/54/50/568945450.db2.gz ANTKAIRKRHSSDX-UHFFFAOYSA-N 0 0 415.427 4.683 50 5 HJBARN O=C1c2n[nH]c(-c3ccc(F)cc3)c2[C@H](c2ccccc2[N+](=O)[O-])N1c1ccccc1 ZINC000004146395 568946688 /nfs/dbraw/zinc/94/66/88/568946688.db2.gz ZDOXYUBNQFOOIM-QFIPXVFZSA-N 0 0 414.396 4.874 50 5 HJBARN Cc1nc2c(ccc3nc(NC(=O)/C=C/c4ccc([N+](=O)[O-])s4)sc32)s1 ZINC000004174007 568948219 /nfs/dbraw/zinc/94/82/19/568948219.db2.gz FUHGTXWYGXQPHC-QHHAFSJGSA-N 0 0 402.482 4.836 50 5 HJBARN C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000059420546 568953374 /nfs/dbraw/zinc/95/33/74/568953374.db2.gz YOCQVJFFJMALQX-CQSZACIVSA-N 0 0 419.416 4.807 50 5 HJBARN O=C(c1ccccc1[N+](=O)[O-])N(Cc1cccnc1)c1nc2ccc(F)cc2s1 ZINC000004273192 568957735 /nfs/dbraw/zinc/95/77/35/568957735.db2.gz OVAAENSUHBYYPN-UHFFFAOYSA-N 0 0 408.414 4.586 50 5 HJBARN CCn1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nnc1-c1cccc(Cl)c1 ZINC000006083656 568996067 /nfs/dbraw/zinc/99/60/67/568996067.db2.gz BXMFFAVQZMGRSE-UHFFFAOYSA-N 0 0 405.823 4.586 50 5 HJBARN CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@@H](CC)C2 ZINC000006119668 569005139 /nfs/dbraw/zinc/00/51/39/569005139.db2.gz WCAYRMGHUMXGQM-GFCCVEGCSA-N 0 0 402.472 4.600 50 5 HJBARN COc1ccc([C@@H](OC)c2ccc3c(ccc4c(C)cc(=O)oc43)c2O)cc1OC ZINC000012902282 569020913 /nfs/dbraw/zinc/02/09/13/569020913.db2.gz BEASPGXVZCQOJS-HSZRJFAPSA-N 0 0 406.434 4.713 50 5 biogenic HJBARN CC(C)OC(=O)c1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc2c1CC[C@@H](C)C2 ZINC000006250438 569034750 /nfs/dbraw/zinc/03/47/50/569034750.db2.gz PJRYCXBHIBYUIP-CYBMUJFWSA-N 0 0 416.499 4.528 50 5 HJBARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000013008693 569049897 /nfs/dbraw/zinc/04/98/97/569049897.db2.gz PAQAOIZWUWKGEW-UHFFFAOYSA-N 0 0 414.849 4.659 50 5 HJBARN Cc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2cccnc2)cc1 ZINC000006546658 569064690 /nfs/dbraw/zinc/06/46/90/569064690.db2.gz MUADUJVKWLYYBJ-UHFFFAOYSA-N 0 0 403.467 4.838 50 5 HJBARN C[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCc1nc2ccccc2c2ccccc12 ZINC000006609224 569071925 /nfs/dbraw/zinc/07/19/25/569071925.db2.gz JQAHRBNJOIBEAC-OAHLLOKOSA-N 0 0 418.880 4.903 50 5 HJBARN O=C(C[C@@H](c1c[nH]c2ccccc21)c1cccc([N+](=O)[O-])c1)NCCc1ccccc1 ZINC000006839021 569150107 /nfs/dbraw/zinc/15/01/07/569150107.db2.gz BFIJCQBOLMQBOG-JOCHJYFZSA-N 0 0 413.477 4.957 50 5 HJBARN O=C1OC(c2ccccc2F)=N/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000007003040 569198123 /nfs/dbraw/zinc/19/81/23/569198123.db2.gz UYGHWOUGBGIJRD-YVLHZVERSA-N 0 0 412.760 4.992 50 5 HJBARN O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](c1cccs1)c1ccccc1 ZINC000007024454 569201401 /nfs/dbraw/zinc/20/14/01/569201401.db2.gz IAARWMPJSZHUBX-IBGZPJMESA-N 0 0 402.859 4.594 50 5 HJBARN Cc1nc(COc2ccc(C(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)cc2)cs1 ZINC000007068978 569216239 /nfs/dbraw/zinc/21/62/39/569216239.db2.gz GCOUSMHKQQVCOC-CQSZACIVSA-N 0 0 411.483 4.772 50 5 HJBARN O=[N+]([O-])c1ccc(NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c2ccncc21 ZINC000170594522 569241242 /nfs/dbraw/zinc/24/12/42/569241242.db2.gz YZPSENKOCMKEBK-UHFFFAOYSA-N 0 0 413.359 4.960 50 5 HJBARN Cc1c(C(=O)N(C(=O)N2CCCCC2)c2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000010254604 569254298 /nfs/dbraw/zinc/25/42/98/569254298.db2.gz ASYMFSMMVYKLKP-UHFFFAOYSA-N 0 0 401.850 4.809 50 5 HJBARN Cc1cccc(C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)c1[N+](=O)[O-] ZINC000170643379 569288234 /nfs/dbraw/zinc/28/82/34/569288234.db2.gz DZHXNNOYJHXYOL-QGZVFWFLSA-N 0 0 403.276 4.937 50 5 HJBARN COc1ccc([N+](=O)[O-])cc1CN1CCCn2cccc2[C@@H]1c1cccc(F)c1F ZINC000037523768 569303614 /nfs/dbraw/zinc/30/36/14/569303614.db2.gz LZPWJHBMYRMDJD-QFIPXVFZSA-N 0 0 413.424 4.678 50 5 HJBARN Cc1nc2c(c3nc4ccccc4nc3n2Cc2ccco2)c(=O)n1C1CCCCC1 ZINC000002313937 569372901 /nfs/dbraw/zinc/37/29/01/569372901.db2.gz JUDJCFOFTWEKGR-UHFFFAOYSA-N 0 0 413.481 4.749 50 5 HJBARN Cn1c2ccccc2c(=O)c2c(=O)n(CCc3ccccc3)c(C3CCCCC3)nc21 ZINC000002340147 569376246 /nfs/dbraw/zinc/37/62/46/569376246.db2.gz OCOKSUPDTXWELU-UHFFFAOYSA-N 0 0 413.521 4.539 50 5 HJBARN CC[C@@H](C)n1cnc2c(c3nc4ccccc4nc3n2-c2cc(C)ccc2OC)c1=O ZINC000002424847 569398356 /nfs/dbraw/zinc/39/83/56/569398356.db2.gz PSQMNPGIZQLAGO-OAHLLOKOSA-N 0 0 413.481 4.572 50 5 HJBARN Cc1nc2c(c3nc4ccccc4nc3n2-c2ccc(F)cc2)c(=O)n1CCC(C)C ZINC000002441348 569400868 /nfs/dbraw/zinc/40/08/68/569400868.db2.gz QNSKWDODFZACEE-UHFFFAOYSA-N 0 0 415.472 4.777 50 5 HJBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000012857749 569404095 /nfs/dbraw/zinc/40/40/95/569404095.db2.gz JXKPAAKYTZLJGN-UHFFFAOYSA-N 0 0 404.353 4.760 50 5 HJBARN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000013000379 569406289 /nfs/dbraw/zinc/40/62/89/569406289.db2.gz DVPJNDMQFAJUPX-UHFFFAOYSA-N 0 0 421.837 4.604 50 5 HJBARN CCOc1ccc(C(=O)NC(=S)Nc2ccc([C@H](C)CC)cc2)cc1[N+](=O)[O-] ZINC000001173274 571043195 /nfs/dbraw/zinc/04/31/95/571043195.db2.gz SOVSJUDFRWERBN-CYBMUJFWSA-N 0 0 401.488 4.634 50 5 HJBARN Cc1cc(=O)oc2cc(Oc3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])ccc12 ZINC000008616605 571094517 /nfs/dbraw/zinc/09/45/17/571094517.db2.gz OVQWFFKEFWJPIU-UHFFFAOYSA-N 0 0 410.260 4.729 50 5 HJBARN CC(C)C(=O)Oc1cn(C[C@H]2CCCO2)c2nc(C(C)C)n3c4ccccc4nc3c12 ZINC000008658154 571099318 /nfs/dbraw/zinc/09/93/18/571099318.db2.gz TUOGQXZKTUSWSL-MRXNPFEDSA-N 0 0 420.513 4.701 50 5 HJBARN CC(=O)Nc1cccc(-n2c(SCc3cccc([N+](=O)[O-])c3C)nnc2C2CC2)c1 ZINC000040127916 571179420 /nfs/dbraw/zinc/17/94/20/571179420.db2.gz CGBLKEFSGXGCMA-UHFFFAOYSA-N 0 0 423.498 4.612 50 5 HJBARN CC(=O)Nc1cccc(Nc2nnc(SCc3cccc([N+](=O)[O-])c3C)s2)c1 ZINC000040127910 571179473 /nfs/dbraw/zinc/17/94/73/571179473.db2.gz SHOLIIKGHRJPSJ-UHFFFAOYSA-N 0 0 415.500 4.749 50 5 HJBARN C[C@H](NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc2ccccc2[nH]1 ZINC000040157411 571204008 /nfs/dbraw/zinc/20/40/08/571204008.db2.gz NCBNVLNTUDDPJE-NSHDSACASA-N 0 0 410.817 4.876 50 5 HJBARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(NCCCc4ccccc4)c([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000245343693 571226223 /nfs/dbraw/zinc/22/62/23/571226223.db2.gz WPWBTOOPKSENPW-AHRSYUTCSA-N 0 0 421.497 4.565 50 5 HJBARN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000009252462 571242579 /nfs/dbraw/zinc/24/25/79/571242579.db2.gz AMXFDTYPAXEHSA-UHFFFAOYSA-N 0 0 413.655 4.807 50 5 HJBARN COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000009332600 571248872 /nfs/dbraw/zinc/24/88/72/571248872.db2.gz DZXFEXQRZVIEGD-UHFFFAOYSA-N 0 0 416.393 4.573 50 5 HJBARN Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000009357120 571251222 /nfs/dbraw/zinc/25/12/22/571251222.db2.gz UGRXOKPERPYEHQ-UHFFFAOYSA-N 0 0 413.433 4.592 50 5 HJBARN Cc1ccccc1-c1nnc(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1C ZINC000009514013 571264646 /nfs/dbraw/zinc/26/46/46/571264646.db2.gz JLPSIIWMZQUGSW-CYBMUJFWSA-N 0 0 422.470 4.602 50 5 HJBARN COc1ccc(Br)cc1C(=O)Nc1cc2c(ccc3ccccc32)oc1=O ZINC000009600626 571272923 /nfs/dbraw/zinc/27/29/23/571272923.db2.gz WBXIOYROHWLBDE-UHFFFAOYSA-N 0 0 424.250 4.970 50 5 HJBARN O=[N+]([O-])c1ccc(N2CCN(c3nc(-c4ccccc4)cs3)CC2)cc1NC1CC1 ZINC000004687466 132283253 /nfs/dbraw/zinc/28/32/53/132283253.db2.gz DNJTXYPLOIVIKY-UHFFFAOYSA-N 0 0 421.526 4.619 50 5 HJBARN O=C(c1cc(Cl)ccc1Cl)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000012860632 132367929 /nfs/dbraw/zinc/36/79/29/132367929.db2.gz OFIJZEORZBJUST-UHFFFAOYSA-N 0 0 414.676 4.517 50 5 HJBARN CC(C)n1c2ccccc2c2nnc(Sc3ccc4nsnc4c3[N+](=O)[O-])nc21 ZINC000020442297 519928306 /nfs/dbraw/zinc/92/83/06/519928306.db2.gz DFMREJACXNDTRW-UHFFFAOYSA-N 0 0 423.483 4.625 50 5 HJBARN C[C@@H]1CC(=O)c2c1c(Cl)ccc2OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000031871389 526219006 /nfs/dbraw/zinc/21/90/06/526219006.db2.gz FZMHYOGJEPHJLG-SECBINFHSA-N 0 0 409.225 4.609 50 5 HJBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000040161258 527259999 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CCN(CC)C(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCCC2 ZINC000001188388 568821877 /nfs/dbraw/zinc/82/18/77/568821877.db2.gz VCSRVEIONIVJPQ-UHFFFAOYSA-N 0 0 415.515 4.660 50 5 HJBARN COC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CC[C@H](C(C)(C)C)C2 ZINC000001200508 568823237 /nfs/dbraw/zinc/82/32/37/568823237.db2.gz HIRZDWYEZHHIKN-LBPRGKRZSA-N 0 0 416.499 4.846 50 5 HJBARN CCc1ccc(-c2nc3cc(NC(=O)COc4ccccc4[N+](=O)[O-])ccc3o2)cc1 ZINC000001207322 568823399 /nfs/dbraw/zinc/82/33/99/568823399.db2.gz FHQNMKUGEKKLBR-UHFFFAOYSA-N 0 0 417.421 4.983 50 5 HJBARN Cc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3n2)cc1 ZINC000001217817 568824864 /nfs/dbraw/zinc/82/48/64/568824864.db2.gz YOCWKRTWZKYIMR-UHFFFAOYSA-N 0 0 421.844 4.851 50 5 HJBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001218237 568824865 /nfs/dbraw/zinc/82/48/65/568824865.db2.gz DOIJPFNQCNJJBW-UHFFFAOYSA-N 0 0 408.254 4.650 50 5 HJBARN CCc1cccc(/N=c2\oc3ccc([N+](=O)[O-])cc3cc2C(=O)Nc2nccs2)c1 ZINC000002951514 568829154 /nfs/dbraw/zinc/82/91/54/568829154.db2.gz MMNAZQHEEMNZAR-ATJXCDBQSA-N 0 0 420.450 4.845 50 5 HJBARN COc1cccc(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n32)c1 ZINC000002959617 568830040 /nfs/dbraw/zinc/83/00/40/568830040.db2.gz YZWBSZSEHJWMLL-UHFFFAOYSA-N 0 0 414.490 4.775 50 5 aggregator HJBARN CC[C@H](Sc1nc2ccccc2c2nc3ccccc3n21)C(=O)NCc1ccco1 ZINC000002959670 568830290 /nfs/dbraw/zinc/83/02/90/568830290.db2.gz PVHFINCEPYDJLT-FQEVSTJZSA-N 0 0 416.506 4.816 50 5 HJBARN O=[N+]([O-])c1cc(CSc2ncnc3sc4c(c32)CCCC4)c2c(c1)COCO2 ZINC000005936881 568830377 /nfs/dbraw/zinc/83/03/77/568830377.db2.gz XXXSNHGOONITBD-UHFFFAOYSA-N 0 0 415.496 4.637 50 5 HJBARN COc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1Cl ZINC000002965033 568830428 /nfs/dbraw/zinc/83/04/28/568830428.db2.gz BINFGZYOKHRPAK-UHFFFAOYSA-N 0 0 402.790 4.778 50 5 HJBARN CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)cc1[N+](=O)[O-] ZINC000002989277 568833168 /nfs/dbraw/zinc/83/31/68/568833168.db2.gz GZOQSVQVOXIIDB-UHFFFAOYSA-N 0 0 419.437 4.807 50 5 HJBARN COc1cccc([C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2nccn2C)c1 ZINC000012550770 568853295 /nfs/dbraw/zinc/85/32/95/568853295.db2.gz UPOZOXOQUOBVFH-KRWDZBQOSA-N 0 0 406.364 4.557 50 5 HJBARN Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Br)ccc1[N+](=O)[O-] ZINC000003117646 568856521 /nfs/dbraw/zinc/85/65/21/568856521.db2.gz FXUNBISKPGJJKF-UHFFFAOYSA-N 0 0 403.154 4.937 50 5 HJBARN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1cc([N+](=O)[O-])ccc1Cl ZINC000003256730 568868436 /nfs/dbraw/zinc/86/84/36/568868436.db2.gz LNLKQKIYJGLZGV-UHFFFAOYSA-N 0 0 424.866 4.783 50 5 HJBARN O=[N+]([O-])c1cc(Cl)ccc1Sc1nnc(-c2cccs2)n1C[C@H]1CCCO1 ZINC000003309737 568877888 /nfs/dbraw/zinc/87/78/88/568877888.db2.gz SKDRHKWUOYYBEX-GFCCVEGCSA-N 0 0 422.919 4.898 50 5 HJBARN O=C(N[C@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000001232869 568880947 /nfs/dbraw/zinc/88/09/47/568880947.db2.gz ITACKRSNGALVGA-AWEZNQCLSA-N 0 0 423.083 4.786 50 5 HJBARN Cc1c(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)cccc1[N+](=O)[O-] ZINC000004079149 568882542 /nfs/dbraw/zinc/88/25/42/568882542.db2.gz CTAXGHGHYHPUHJ-UHFFFAOYSA-N 0 0 414.874 4.741 50 5 HJBARN CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000058123568 568888581 /nfs/dbraw/zinc/88/85/81/568888581.db2.gz JGQOMWJZFSGANW-UHFFFAOYSA-N 0 0 424.545 4.602 50 5 HJBARN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N(Cc1cccc(Br)c1)C1CC1 ZINC000058356066 568913721 /nfs/dbraw/zinc/91/37/21/568913721.db2.gz QYIXZLYKLQUEAX-UHFFFAOYSA-N 0 0 414.259 4.643 50 5 HJBARN CCc1ccc2oc(-c3ccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 ZINC000001413968 568929535 /nfs/dbraw/zinc/92/95/35/568929535.db2.gz JNOKLGFWUZXOAH-UHFFFAOYSA-N 0 0 417.421 4.983 50 5 HJBARN O=C(Nc1ccc(Cl)cc1)C(=O)c1cccn1-c1ccc([N+](=O)[O-])cc1Cl ZINC000004014751 568933535 /nfs/dbraw/zinc/93/35/35/568933535.db2.gz VHHNMONTDWVLEA-UHFFFAOYSA-N 0 0 404.209 4.514 50 5 HJBARN Cc1c(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CSC3)cccc1[N+](=O)[O-] ZINC000004088745 568941369 /nfs/dbraw/zinc/94/13/69/568941369.db2.gz NZWHGZFTEXQJEI-UHFFFAOYSA-N 0 0 414.874 4.741 50 5 HJBARN O=C1c2n[nH]c(-c3ccc(F)cc3)c2[C@@H](c2ccccc2[N+](=O)[O-])N1c1ccccc1 ZINC000004146394 568946641 /nfs/dbraw/zinc/94/66/41/568946641.db2.gz ZDOXYUBNQFOOIM-JOCHJYFZSA-N 0 0 414.396 4.874 50 5 HJBARN O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cc([N+](=O)[O-])ccc1Cl ZINC000012764945 568947929 /nfs/dbraw/zinc/94/79/29/568947929.db2.gz IAURSYDHGNVVQD-UHFFFAOYSA-N 0 0 401.831 4.559 50 5 HJBARN CC(C)c1ccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 ZINC000004179355 568948125 /nfs/dbraw/zinc/94/81/25/568948125.db2.gz QHCGOWFXSZMJCH-UHFFFAOYSA-N 0 0 414.417 4.750 50 5 HJBARN CCCCCCn1cnc2c(c3nc4ccccc4nc3n2Cc2cccs2)c1=O ZINC000004301850 568960111 /nfs/dbraw/zinc/96/01/11/568960111.db2.gz SMYUZCFJQXXDNO-UHFFFAOYSA-N 0 0 417.538 4.985 50 5 HJBARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000008009855 568967978 /nfs/dbraw/zinc/96/79/78/568967978.db2.gz VLDOURBWJFELFE-UHFFFAOYSA-N 0 0 412.449 4.720 50 5 HJBARN Cc1c(NC(=O)Cn2c3ccccc3nc2NCc2ccccc2)cccc1[N+](=O)[O-] ZINC000008012992 568968363 /nfs/dbraw/zinc/96/83/63/568968363.db2.gz KCQQMJVJWCSOJB-UHFFFAOYSA-N 0 0 415.453 4.504 50 5 HJBARN O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000012814846 568989334 /nfs/dbraw/zinc/98/93/34/568989334.db2.gz KPQICTAYQFZGTD-LJQANCHMSA-N 0 0 420.849 4.733 50 5 HJBARN Cn1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000008432324 569002915 /nfs/dbraw/zinc/00/29/15/569002915.db2.gz MTWSPFMBSBTZGV-CCEZHUSRSA-N 0 0 422.444 4.956 50 5 HJBARN Cc1ccc(OCC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000016048694 569028391 /nfs/dbraw/zinc/02/83/91/569028391.db2.gz CJAICXXHIMOWJU-GOSISDBHSA-N 0 0 421.478 4.557 50 5 HJBARN CCc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3n2)cc1 ZINC000016185293 569029634 /nfs/dbraw/zinc/02/96/34/569029634.db2.gz GHCDCCYBDFVYJP-UHFFFAOYSA-N 0 0 421.844 4.797 50 5 HJBARN Cc1cccc(CN(c2ccc(C)c(F)c2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000036247985 569117209 /nfs/dbraw/zinc/11/72/09/569117209.db2.gz XEHGIQJWMMPXCL-UHFFFAOYSA-N 0 0 414.458 4.746 50 5 HJBARN CCCn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21 ZINC000065322216 569224443 /nfs/dbraw/zinc/22/44/43/569224443.db2.gz MBNDKKJCPUQPJC-UHFFFAOYSA-N 0 0 421.501 4.593 50 5 HJBARN CC(C)n1c(CN2CCCCC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000065322273 569224520 /nfs/dbraw/zinc/22/45/20/569224520.db2.gz RFEWEAULYYCARH-UHFFFAOYSA-N 0 0 421.501 4.764 50 5 HJBARN COc1ccc(SCCC(=O)Nc2nc(-c3cc([N+](=O)[O-])cs3)cs2)cc1 ZINC000010219584 569253893 /nfs/dbraw/zinc/25/38/93/569253893.db2.gz SGUVMFRJHSKJIN-UHFFFAOYSA-N 0 0 421.525 4.909 50 5 HJBARN Cc1sc2ncnc(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2c1C ZINC000013778639 569257617 /nfs/dbraw/zinc/25/76/17/569257617.db2.gz VGSIRWLWWNOHRH-SNVBAGLBSA-N 0 0 422.919 4.989 50 5 HJBARN COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1nc(-c2ccc(F)cc2F)cs1 ZINC000017092967 569273525 /nfs/dbraw/zinc/27/35/25/569273525.db2.gz UOWIONKSZNVDPY-UHFFFAOYSA-N 0 0 422.438 4.814 50 5 HJBARN Cc1ccc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2-c2cc(C)cc(C)c2)cc1 ZINC000002210293 569306171 /nfs/dbraw/zinc/30/61/71/569306171.db2.gz UYRCOUGLBUOZOJ-UHFFFAOYSA-N 0 0 421.500 4.830 50 5 HJBARN Cc1ccc(-c2nc3oc4ccccc4c(=O)c3c(=O)n2CCc2ccccc2)cc1 ZINC000002241032 569323603 /nfs/dbraw/zinc/32/36/03/569323603.db2.gz FDSXPPYKMJEIDQ-UHFFFAOYSA-N 0 0 408.457 4.721 50 5 HJBARN CCCCn1c(=O)nc2n(-c3ccc(C)cc3C)c3cccc(Cl)c3cc-2c1=O ZINC000002258669 569324954 /nfs/dbraw/zinc/32/49/54/569324954.db2.gz AIIAWHWZRAPRME-UHFFFAOYSA-N 0 0 407.901 4.723 50 5 HJBARN CCc1cccc(-n2c3nc4ccccc4nc3c3c2nc(C)n(CC(C)C)c3=O)c1 ZINC000002254348 569326188 /nfs/dbraw/zinc/32/61/88/569326188.db2.gz HMGUUTHJQZWBIW-UHFFFAOYSA-N 0 0 411.509 4.810 50 5 HJBARN Cc1ccc(-n2c3nc4ccccc4nc3c3c2nc(C)n(CC(C)C)c3=O)cc1C ZINC000002254482 569326210 /nfs/dbraw/zinc/32/62/10/569326210.db2.gz PTARVDDMDGCECR-UHFFFAOYSA-N 0 0 411.509 4.865 50 5 HJBARN CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1 ZINC000253419516 569367812 /nfs/dbraw/zinc/36/78/12/569367812.db2.gz ZRKNNGANLQDVHM-UHFFFAOYSA-N 0 0 410.817 4.521 50 5 HJBARN Cc1ccc(-n2c3nc4ccccc4nc3c3c2nc(C)n(Cc2ccco2)c3=O)cc1 ZINC000002313316 569374009 /nfs/dbraw/zinc/37/40/09/569374009.db2.gz KUAOHOZSRJEAAD-UHFFFAOYSA-N 0 0 421.460 4.542 50 5 HJBARN CCc1ccc(-n2c3nc4ccccc4nc3c3c2ncn(CCC(C)C)c3=O)cc1 ZINC000002333577 569375121 /nfs/dbraw/zinc/37/51/21/569375121.db2.gz AHEHNISVYRSJLV-UHFFFAOYSA-N 0 0 411.509 4.892 50 5 HJBARN O=[N+]([O-])c1ccc(CSc2nnc(SCc3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000002342395 569376175 /nfs/dbraw/zinc/37/61/75/569376175.db2.gz NNHMZAPFFZXOKB-UHFFFAOYSA-N 0 0 420.497 4.939 50 5 HJBARN O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1cccc2ccccc21)c1ccccn1 ZINC000027662310 569388731 /nfs/dbraw/zinc/38/87/31/569388731.db2.gz XHFFBUQTPJEVBO-UHFFFAOYSA-N 0 0 413.433 4.755 50 5 HJBARN O=c1c2c3nc4ccccc4nc3n(-c3ccc(F)cc3)c2ncn1C1CCCCC1 ZINC000002421099 569398053 /nfs/dbraw/zinc/39/80/53/569398053.db2.gz QVXCODVJGQSAGG-UHFFFAOYSA-N 0 0 413.456 4.928 50 5 HJBARN CC[C@H](C)n1c(C)nc2c(c3nc4ccccc4nc3n2Cc2ccc(C)cc2)c1=O ZINC000002427403 569398745 /nfs/dbraw/zinc/39/87/45/569398745.db2.gz VHZCHZXZARGFMC-INIZCTEOSA-N 0 0 411.509 4.931 50 5 HJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(C(C)C)cc1Br ZINC000012382889 569400767 /nfs/dbraw/zinc/40/07/67/569400767.db2.gz VYYAWQKFUKQUMM-UHFFFAOYSA-N 0 0 423.263 4.507 50 5 HJBARN CCCCCCn1cnc2c(c3nc4ccccc4nc3n2CCCOC(C)C)c1=O ZINC000002449088 569402175 /nfs/dbraw/zinc/40/21/75/569402175.db2.gz YLAPHWUVMFNBGE-UHFFFAOYSA-N 0 0 421.545 4.690 50 5 HJBARN O=[N+]([O-])c1ccc(CSc2nsc(SCc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000013370403 569412796 /nfs/dbraw/zinc/41/27/96/569412796.db2.gz BOWOVUQNPGLGMO-UHFFFAOYSA-N 0 0 420.497 4.939 50 5 HJBARN CCOc1cc([N+](=O)[O-])c(C(=O)OCc2csc(-c3ccsc3)n2)cc1OC ZINC000019357908 569420246 /nfs/dbraw/zinc/42/02/46/569420246.db2.gz TUYNHLFOAAENMP-UHFFFAOYSA-N 0 0 420.468 4.544 50 5 HJBARN O=[N+]([O-])c1cccc(-c2noc(CN3CCCC[C@@H]3c3nc4ccccc4o3)n2)c1 ZINC000079110805 569427982 /nfs/dbraw/zinc/42/79/82/569427982.db2.gz DARCIZSXAYNAQN-QGZVFWFLSA-N 0 0 405.414 4.513 50 5 HJBARN COC(=O)c1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)cc1 ZINC000079497626 569432821 /nfs/dbraw/zinc/43/28/21/569432821.db2.gz YVKSKGGMNVGRSA-UHFFFAOYSA-N 0 0 417.421 4.776 50 5 HJBARN Cc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])c(NC(=O)/C=C/c3ccc(C)o3)c2)o1 ZINC000008682339 571100961 /nfs/dbraw/zinc/10/09/61/571100961.db2.gz HOKVZBUGMQEHAA-HZOWPXDZSA-N 0 0 421.409 4.701 50 5 HJBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)/C=C/c1ccc(OCc2ccccn2)cc1 ZINC000040079665 571150614 /nfs/dbraw/zinc/15/06/14/571150614.db2.gz GGOVEOLYWVHQIX-BJRSVTDJSA-N 0 0 417.465 4.802 50 5 HJBARN Cc1c(CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000040127218 571179053 /nfs/dbraw/zinc/17/90/53/571179053.db2.gz DHSXNIXSSQPTCG-OAHLLOKOSA-N 0 0 416.528 4.695 50 5 HJBARN COc1ccc(-c2nc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)sc2C)cc1 ZINC000009121396 571225762 /nfs/dbraw/zinc/22/57/62/571225762.db2.gz OZZMAHBIVPGRFP-UHFFFAOYSA-N 0 0 424.482 4.862 50 5 HJBARN O=c1oc2c(Br)cc([N+](=O)[O-])cc2cc1-c1nc2ccccc2s1 ZINC000009235914 571240021 /nfs/dbraw/zinc/24/00/21/571240021.db2.gz DVUHWMGUONUNKL-UHFFFAOYSA-N 0 0 403.213 4.740 50 5 HJBARN O=S(=O)(CCn1c2ccc(Cl)cc2c2nc3ccccc3nc21)c1ccccc1 ZINC000009421863 571257279 /nfs/dbraw/zinc/25/72/79/571257279.db2.gz VBVFMWUXYDMXTK-UHFFFAOYSA-N 0 0 421.909 4.865 50 5 HJBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000009866948 571288994 /nfs/dbraw/zinc/28/89/94/571288994.db2.gz IJURBQUJBQJXCM-UHFFFAOYSA-N 0 0 417.824 4.634 50 5 HJBARN O=C1OCCN1c1cccc(Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000071810948 571301823 /nfs/dbraw/zinc/30/18/23/571301823.db2.gz JVFGCWHFNCJZFF-UHFFFAOYSA-N 0 0 401.728 4.967 50 5 HJBARN O=C(NC1CCCC1)c1ccc(N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000004660638 132281200 /nfs/dbraw/zinc/28/12/00/132281200.db2.gz YWJCQRGUTHAEFH-UHFFFAOYSA-N 0 0 407.514 4.726 50 5 HJBARN O=[N+]([O-])c1ccc(N2CCN(c3nc(-c4ccccc4)cs3)CC2)c(Cl)c1 ZINC000004845027 132290534 /nfs/dbraw/zinc/29/05/34/132290534.db2.gz ILVXTCGVUIOMIE-UHFFFAOYSA-N 0 0 400.891 4.698 50 5 HJBARN Cc1oc(C(C)(C)C)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000005090828 132300425 /nfs/dbraw/zinc/30/04/25/132300425.db2.gz ZHRRUBWGGTYGFK-ZDUSSCGKSA-N 0 0 419.909 4.798 50 5 HJBARN CC(C)c1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000005092772 132300505 /nfs/dbraw/zinc/30/05/05/132300505.db2.gz XIJSEQPFFIFKSX-UHFFFAOYSA-N 0 0 421.419 4.699 50 5 HJBARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccccc3[N+](=O)[O-])C2=O)cc1C ZINC000006815197 132317857 /nfs/dbraw/zinc/31/78/57/132317857.db2.gz QIETZIIQNCFQKQ-ZHZULCJRSA-N 0 0 413.433 4.852 50 5 HJBARN CCn1cnc2c1nc(N1CC[C@H]3CCCC[C@@H]3C1)nc2Nc1cccc([N+](=O)[O-])c1 ZINC000028629321 132493563 /nfs/dbraw/zinc/49/35/63/132493563.db2.gz WKVMTXJWGZKVOF-HZPDHXFCSA-N 0 0 421.505 4.515 50 5 HJBARN O=C(Nc1ccc(F)c(Cl)c1)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000020177550 527192955 /nfs/dbraw/zinc/19/29/55/527192955.db2.gz KBWYBMLWHRYWOT-UHFFFAOYSA-N 0 0 418.856 4.761 50 5 HJBARN O=C(Cc1ccc(C(F)(F)F)cc1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000032915668 527218947 /nfs/dbraw/zinc/21/89/47/527218947.db2.gz APLJEZCUCDSHIY-UHFFFAOYSA-N 0 0 420.309 4.747 50 5 HJBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000043342869 527261567 /nfs/dbraw/zinc/26/15/67/527261567.db2.gz SYLBBVCOPKUOFU-QGZVFWFLSA-N 0 0 417.849 4.779 50 5 HJBARN CCCc1sc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc1-c1ccccc1 ZINC000004574895 535577065 /nfs/dbraw/zinc/57/70/65/535577065.db2.gz KCFIQFKCTMXBNF-UHFFFAOYSA-N 0 0 408.527 4.997 50 5 HJBARN CCOc1ccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)c([N+](=O)[O-])c1 ZINC000004339477 558426528 /nfs/dbraw/zinc/42/65/28/558426528.db2.gz YDOHFSDEIAMGLF-UHFFFAOYSA-N 0 0 404.378 4.505 50 5 HJBARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc([N+](=O)[O-])c4)o2)N3)C1 ZINC000004545095 558664544 /nfs/dbraw/zinc/66/45/44/558664544.db2.gz YBZUEVNADLWZBZ-NSPYISDASA-N 0 0 409.467 4.895 50 5 HJBARN C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc([N+](=O)[O-])c4)o2)N3)C1 ZINC000004545094 558664561 /nfs/dbraw/zinc/66/45/61/558664561.db2.gz YBZUEVNADLWZBZ-WLRWDXFRSA-N 0 0 409.467 4.895 50 5 HJBARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc([N+](=O)[O-])c4)o2)N3)C1 ZINC000004545093 558664574 /nfs/dbraw/zinc/66/45/74/558664574.db2.gz YBZUEVNADLWZBZ-WYRIXSBYSA-N 0 0 409.467 4.895 50 5 HJBARN Cc1cccc(N(Cc2ccc(F)cc2F)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000036247262 558798588 /nfs/dbraw/zinc/79/85/88/558798588.db2.gz DRWLTCGCDMJSQC-UHFFFAOYSA-N 0 0 418.421 4.577 50 5 HJBARN CCCCOc1ccc(C2=NC(=CNc3cc([N+](=O)[O-])ccc3Cl)C(=O)O2)cc1 ZINC000004590634 558829158 /nfs/dbraw/zinc/82/91/58/558829158.db2.gz WPESVIULDMIOPO-PDGQHHTCSA-N 0 0 415.833 4.684 50 5 HJBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C ZINC000011227529 558892373 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CCOC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000002616984 560585802 /nfs/dbraw/zinc/58/58/02/560585802.db2.gz JYZSEDKJFDZBSK-UHFFFAOYSA-N 0 0 416.437 4.789 50 5 HJBARN CCc1nc2c3ccccc3oc2c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000005478322 560595151 /nfs/dbraw/zinc/59/51/51/560595151.db2.gz NNTDVNCVNOXQGZ-UHFFFAOYSA-N 0 0 408.439 4.577 50 5 HJBARN O=C(NC(=S)Nc1ccc(Cl)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000005569143 560616616 /nfs/dbraw/zinc/61/66/16/560616616.db2.gz ZPCCUENRPYIITN-UHFFFAOYSA-N 0 0 401.831 4.635 50 5 HJBARN CCOC(=O)c1cc(C(=O)c2ccc([N+](=O)[O-])cc2)n2c1cc(C)c1ccccc12 ZINC000005568665 560617115 /nfs/dbraw/zinc/61/71/15/560617115.db2.gz RQUQBDPXPMLREY-UHFFFAOYSA-N 0 0 402.406 4.717 50 5 HJBARN Cc1cccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)oc3ccccc3c2=O)c1 ZINC000101329308 560791790 /nfs/dbraw/zinc/79/17/90/560791790.db2.gz KMBJMZCNKJQKMS-UHFFFAOYSA-N 0 0 400.390 4.929 50 5 HJBARN Cc1ccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)oc3ccccc3c2=O)cc1 ZINC000101327847 560791834 /nfs/dbraw/zinc/79/18/34/560791834.db2.gz AJNYSRRRMYLDDD-UHFFFAOYSA-N 0 0 400.390 4.929 50 5 HJBARN CCSc1nc2n(n1)[C@@H](c1cc([N+](=O)[O-])ccc1Cl)C1C(=O)CCCC1=N2 ZINC000102670378 560819558 /nfs/dbraw/zinc/81/95/58/560819558.db2.gz YQBILMPFNBXHQI-HNNXBMFYSA-N 0 0 405.867 4.623 50 5 HJBARN CCOC(=O)/C=C(/C)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1c1c[nH]c2ccccc21 ZINC000103868397 560844743 /nfs/dbraw/zinc/84/47/43/560844743.db2.gz BZKJFQNHVMHUPB-SISXUJTISA-N 0 0 418.453 4.694 50 5 HJBARN O=C(N[C@@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000000837038 568515023 /nfs/dbraw/zinc/51/50/23/568515023.db2.gz ZOCOVEBWTNLAMH-CQSZACIVSA-N 0 0 423.083 4.786 50 5 HJBARN Cc1ccc(C)c(N[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c1 ZINC000000837014 568515038 /nfs/dbraw/zinc/51/50/38/568515038.db2.gz POIOSNSDEAGNPI-INIZCTEOSA-N 0 0 416.692 4.750 50 5 HJBARN O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cccc([N+](=O)[O-])c1 ZINC000000842841 568530445 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DEZLBQZVUYUEKE-PXAZEXFGSA-N 0 0 414.849 4.815 50 5 HJBARN Cc1ccc([C@H](CC(=O)NCc2ccco2)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000096293942 568721879 /nfs/dbraw/zinc/72/18/79/568721879.db2.gz DFDMXPZRFWQKLP-IBGZPJMESA-N 0 0 403.438 4.816 50 5 HJBARN Cc1ccc([N+](=O)[O-])c(OCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000021616189 568723353 /nfs/dbraw/zinc/72/33/53/568723353.db2.gz SXMSZAFAAAUYLL-UHFFFAOYSA-N 0 0 400.818 4.512 50 5 HJBARN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Sc1cccc2cccnc21 ZINC000000947288 568752916 /nfs/dbraw/zinc/75/29/16/568752916.db2.gz HHQUSGQWSRNBPP-UHFFFAOYSA-N 0 0 414.386 4.588 50 5 HJBARN COC(=O)c1c(C)oc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)cc21 ZINC000000947167 568754648 /nfs/dbraw/zinc/75/46/48/568754648.db2.gz QTGQILSIOWDPRW-UHFFFAOYSA-N 0 0 420.215 4.778 50 5 HJBARN CCOC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CC[C@@H](C)C2 ZINC000000995600 568759819 /nfs/dbraw/zinc/75/98/19/568759819.db2.gz FHDZGUTZVWIDQR-AORWBKJGSA-N 0 0 414.483 4.610 50 5 HJBARN CCOC(=O)c1c2ccccc2sc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000000998441 568760006 /nfs/dbraw/zinc/76/00/06/568760006.db2.gz ZBFNOCAHONIELV-UHFFFAOYSA-N 0 0 404.831 4.892 50 5 HJBARN COc1ccc(-c2nc3cc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000000989817 568760364 /nfs/dbraw/zinc/76/03/64/568760364.db2.gz DZGOAXTZJVRQFT-UHFFFAOYSA-N 0 0 403.394 4.972 50 5 HJBARN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(Br)s1 ZINC000001053535 568765069 /nfs/dbraw/zinc/76/50/69/568765069.db2.gz AOJDKSGZTMZHJL-UHFFFAOYSA-N 0 0 410.274 4.795 50 5 HJBARN O=C(COc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1)c1cccc([N+](=O)[O-])c1 ZINC000001078970 568765341 /nfs/dbraw/zinc/76/53/41/568765341.db2.gz CQNPULRNUHHDHM-UHFFFAOYSA-N 0 0 419.364 4.769 50 5 HJBARN O=C(Oc1c2ccccc2oc(=O)c1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000001133379 568773286 /nfs/dbraw/zinc/77/32/86/568773286.db2.gz LICZVOBSRWTLAV-UHFFFAOYSA-N 0 0 401.374 4.511 50 5 HJBARN CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000001145878 568774036 /nfs/dbraw/zinc/77/40/36/568774036.db2.gz RZDKRTCUCUSKKX-UHFFFAOYSA-N 0 0 421.844 4.797 50 5 HJBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1 ZINC000001162422 568775232 /nfs/dbraw/zinc/77/52/32/568775232.db2.gz BHINLPYKJDLUHG-UHFFFAOYSA-N 0 0 403.467 4.589 50 5 HJBARN O=[N+]([O-])c1ccc(-c2noc(COc3ccc(Br)cc3Cl)n2)cc1 ZINC000001169005 568775442 /nfs/dbraw/zinc/77/54/42/568775442.db2.gz YBXWLYKJDOQWSA-UHFFFAOYSA-N 0 0 410.611 4.640 50 5 HJBARN Cc1ccc(NC(=O)CSc2ncnc3sc4c(c32)CCCC4)cc1[N+](=O)[O-] ZINC000002646616 568793476 /nfs/dbraw/zinc/79/34/76/568793476.db2.gz OZOODPFOMLSSJY-UHFFFAOYSA-N 0 0 414.512 4.518 50 5 HJBARN Cc1c(C(=O)NC(=S)Nc2cc(Cl)c(Cl)cc2Cl)cccc1[N+](=O)[O-] ZINC000001179866 568820730 /nfs/dbraw/zinc/82/07/30/568820730.db2.gz SLUPFVBYLTUNPW-UHFFFAOYSA-N 0 0 418.689 4.990 50 5 HJBARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000001185622 568821828 /nfs/dbraw/zinc/82/18/28/568821828.db2.gz UVIQJJZERBFWON-UHFFFAOYSA-N 0 0 407.817 4.543 50 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CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3ccc(C)nc3[N+](=O)[O-])ccc21 ZINC000005970312 568833021 /nfs/dbraw/zinc/83/30/21/568833021.db2.gz SCBGTZWBOYXCIJ-HNNXBMFYSA-N 0 0 418.453 4.832 50 5 HJBARN CC(C)(C)c1ccc(O)c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000012543106 568849148 /nfs/dbraw/zinc/84/91/48/568849148.db2.gz SZIGYIKQDNCQBD-UHFFFAOYSA-N 0 0 400.478 4.797 50 5 HJBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](Sc1nncs1)c1ccccc1 ZINC000003279196 568850729 /nfs/dbraw/zinc/85/07/29/568850729.db2.gz IJNNUTSNCMTNQN-CQSZACIVSA-N 0 0 406.876 4.572 50 5 HJBARN COC(=O)c1sccc1NC(=O)c1sccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000003051028 568850999 /nfs/dbraw/zinc/85/09/99/568850999.db2.gz OYGBFLSOGCQCOS-UHFFFAOYSA-N 0 0 404.425 4.549 50 5 HJBARN COc1ccc([C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2nccn2C)cc1 ZINC000012551766 568853748 /nfs/dbraw/zinc/85/37/48/568853748.db2.gz ZTHIYVSZPYDWHU-KRWDZBQOSA-N 0 0 406.364 4.557 50 5 HJBARN O=C(N[C@H](c1ccccc1)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000003184350 568860007 /nfs/dbraw/zinc/86/00/07/568860007.db2.gz GFIJYGPVTWXAQN-LJQANCHMSA-N 0 0 411.255 4.877 50 5 HJBARN Cc1ccc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)OC(C)(C)C)cc1 ZINC000003288945 568872929 /nfs/dbraw/zinc/87/29/29/568872929.db2.gz BGGFCTRVDDNQMQ-UHFFFAOYSA-N 0 0 403.456 4.553 50 5 HJBARN O=c1cc(CSc2nnnn2-c2ccc(Cl)cc2)c2c(ccc3ccccc32)o1 ZINC000003493039 568909518 /nfs/dbraw/zinc/90/95/18/568909518.db2.gz YPLSXSUCHJSMBW-UHFFFAOYSA-N 0 0 420.881 4.868 50 5 HJBARN COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)c1 ZINC000025782272 568914918 /nfs/dbraw/zinc/91/49/18/568914918.db2.gz FIJUYMJOTUDCJO-FYYLOGMGSA-N 0 0 401.422 4.846 50 5 HJBARN COc1cccc2c1O[C@H](c1ccc([N+](=O)[O-])cc1)N1N[C@H](c3ccc(C)cc3)C[C@H]21 ZINC000019171733 568917193 /nfs/dbraw/zinc/91/71/93/568917193.db2.gz LFNIEMJFVXENHE-YZUZCNPQSA-N 0 0 417.465 4.996 50 5 HJBARN O=C(N[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000003877945 568928463 /nfs/dbraw/zinc/92/84/63/568928463.db2.gz JFXXCTKLVVXACK-CQSZACIVSA-N 0 0 423.083 4.786 50 5 HJBARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000001413888 568929414 /nfs/dbraw/zinc/92/94/14/568929414.db2.gz CMORRNRVOROOJD-UHFFFAOYSA-N 0 0 403.394 4.972 50 5 HJBARN O=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000001410686 568929443 /nfs/dbraw/zinc/92/94/43/568929443.db2.gz DWTHAYISURWNDZ-UHFFFAOYSA-N 0 0 415.037 4.511 50 5 HJBARN Cc1ccc(Cl)cc1-n1nnnc1[C@H](Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000004042548 568935966 /nfs/dbraw/zinc/93/59/66/568935966.db2.gz FUHDOFDRPLYNEW-HXUWFJFHSA-N 0 0 420.860 4.734 50 5 HJBARN Cc1cc(NC(=O)c2ccccc2Br)nc2c3ccccc3oc(=O)c12 ZINC000004108197 568943849 /nfs/dbraw/zinc/94/38/49/568943849.db2.gz WQIXWLCDRPZGDU-UHFFFAOYSA-N 0 0 409.239 4.664 50 5 HJBARN Cc1cc2sc(N(Cc3cccnc3)C(=O)c3ccc([N+](=O)[O-])o3)nc2c(C)c1 ZINC000004273292 568957858 /nfs/dbraw/zinc/95/78/58/568957858.db2.gz SPAXQNOIPKNNOZ-UHFFFAOYSA-N 0 0 408.439 4.656 50 5 HJBARN Cc1c(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cccc1[N+](=O)[O-] ZINC000015661272 568959160 /nfs/dbraw/zinc/95/91/60/568959160.db2.gz LSONKWLPLUMGRA-UHFFFAOYSA-N 0 0 423.494 4.721 50 5 HJBARN Cc1onc(-c2ccccc2)c1-c1nnc(COc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000012914989 569022203 /nfs/dbraw/zinc/02/22/03/569022203.db2.gz URNLQEXOTPCUFL-UHFFFAOYSA-N 0 0 412.789 4.841 50 5 HJBARN Cc1c(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000012927060 569023865 /nfs/dbraw/zinc/02/38/65/569023865.db2.gz ICQKHXMSDWNONN-JOCHJYFZSA-N 0 0 407.495 4.551 50 5 HJBARN COC(=O)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@@H]32)cc1 ZINC000016361980 569032266 /nfs/dbraw/zinc/03/22/66/569032266.db2.gz DPPVYLGWQXIIRM-PMVMPFDFSA-N 0 0 400.434 4.852 50 5 HJBARN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000006328493 569043408 /nfs/dbraw/zinc/04/34/08/569043408.db2.gz MNBSQAVBZXEYDS-NXTQRVMMSA-N 0 0 411.546 4.920 50 5 HJBARN CC[C@@H](C)NC(=O)c1nn(-c2ccccc2)c(Oc2ccc([N+](=O)[O-])cc2F)c1C ZINC000035591988 569045425 /nfs/dbraw/zinc/04/54/25/569045425.db2.gz JSEASQIRCAEZNV-CYBMUJFWSA-N 0 0 412.421 4.549 50 5 HJBARN Cc1ccc([N+](=O)[O-])c(OCCSc2ncnc3sc4c(c32)CCCC4)c1 ZINC000001749524 569048811 /nfs/dbraw/zinc/04/88/11/569048811.db2.gz JDJMGYQENMZWEW-UHFFFAOYSA-N 0 0 401.513 4.958 50 5 HJBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2O[C@H](C)C(=O)N2CCc3ccccc32)cc1 ZINC000006537501 569064418 /nfs/dbraw/zinc/06/44/18/569064418.db2.gz WDBGAAVUWLOMCU-MRXNPFEDSA-N 0 0 418.449 4.627 50 5 HJBARN Cc1ccccc1-n1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cccnc1 ZINC000006547653 569064792 /nfs/dbraw/zinc/06/47/92/569064792.db2.gz CNJOEBRBRDOGMB-UHFFFAOYSA-N 0 0 403.467 4.838 50 5 HJBARN CCCCCC[C@H](C)OC(=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O ZINC000002062823 569072973 /nfs/dbraw/zinc/07/29/73/569072973.db2.gz KTOIZYSJRCTEMM-HNNXBMFYSA-N 0 0 424.453 4.911 50 5 HJBARN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000007109757 569221519 /nfs/dbraw/zinc/22/15/19/569221519.db2.gz MNBSQAVBZXEYDS-RNXZQOMOSA-N 0 0 411.546 4.920 50 5 HJBARN O=C1[C@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000239297315 569232360 /nfs/dbraw/zinc/23/23/60/569232360.db2.gz FBJWYSYZIRRIOH-NEWJYFPISA-N 0 0 424.456 4.838 50 5 HJBARN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000170624831 569249564 /nfs/dbraw/zinc/24/95/64/569249564.db2.gz NJTBPTINBLYOMG-SIFCLUCFSA-N 0 0 423.494 4.709 50 5 HJBARN CCCC(=O)Nc1nc2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2s1 ZINC000017088483 569274370 /nfs/dbraw/zinc/27/43/70/569274370.db2.gz SQAXMZVGVPDWFU-JXMROGBWSA-N 0 0 410.455 4.595 50 5 HJBARN O=C1c2n[nH]c(-c3ccc(F)cc3)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 ZINC000017207421 569276623 /nfs/dbraw/zinc/27/66/23/569276623.db2.gz JEQZOODEKGFOJA-JOCHJYFZSA-N 0 0 414.396 4.874 50 5 HJBARN Cc1ccc(-c2noc(CN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C(C)C)n2)cc1 ZINC000007721361 569302648 /nfs/dbraw/zinc/30/26/48/569302648.db2.gz PAASYLXGKUGJOO-UHFFFAOYSA-N 0 0 414.849 4.657 50 5 HJBARN Cc1ccc(-n2nc3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3n2)cc1C ZINC000027519625 569328131 /nfs/dbraw/zinc/32/81/31/569328131.db2.gz CMOWGVOUSAQINK-UHFFFAOYSA-N 0 0 421.844 4.851 50 5 HJBARN Cc1ccccc1-c1nc2c(c(=O)c3ccccc3n2C)c(=O)n1[C@H](C)c1ccccc1 ZINC000002324038 569375367 /nfs/dbraw/zinc/37/53/67/569375367.db2.gz USQDVZCVNXWBHM-GOSISDBHSA-N 0 0 421.500 4.833 50 5 HJBARN O=[N+]([O-])c1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000091290470 569382797 /nfs/dbraw/zinc/38/27/97/569382797.db2.gz BLAMRGGBDBVKNR-UHFFFAOYSA-N 0 0 423.463 4.780 50 5 HJBARN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000009489265 569393025 /nfs/dbraw/zinc/39/30/25/569393025.db2.gz AXFMUVLAYBXQIK-ZQFKLAOWSA-N 0 0 424.456 4.556 50 5 HJBARN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000009489262 569393125 /nfs/dbraw/zinc/39/31/25/569393125.db2.gz AXFMUVLAYBXQIK-QQNJPBSNSA-N 0 0 424.456 4.556 50 5 HJBARN Cc1cccc2c3nc4ccccc4nc3n(CCCN3C(=O)c4ccccc4C3=O)c21 ZINC000002394680 569394288 /nfs/dbraw/zinc/39/42/88/569394288.db2.gz UIEUPAYQRVTMSH-UHFFFAOYSA-N 0 0 420.472 4.732 50 5 HJBARN CCCn1c(C)nc2c(c3nc4ccccc4nc3n2Cc2ccc(Cl)cc2)c1=O ZINC000002409923 569396583 /nfs/dbraw/zinc/39/65/83/569396583.db2.gz JOPUJLNFJIXWRT-UHFFFAOYSA-N 0 0 417.900 4.715 50 5 HJBARN Cc1nc(-c2ccc(CCNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])s2)cs1 ZINC000012396591 569400842 /nfs/dbraw/zinc/40/08/42/569400842.db2.gz AKXJXUQICHIDHT-UHFFFAOYSA-N 0 0 407.904 4.714 50 5 HJBARN COCc1cc(C)nc2sc(-c3ccon3)c(NC(=O)c3ccc([N+](=O)[O-])cc3)c21 ZINC000012445388 569401474 /nfs/dbraw/zinc/40/14/74/569401474.db2.gz HWJKDXNJSURGTM-UHFFFAOYSA-N 0 0 424.438 4.567 50 5 HJBARN COc1cccc(Cc2cnc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])s2)c1 ZINC000012980272 569405787 /nfs/dbraw/zinc/40/57/87/569405787.db2.gz AUFCVHTYFUSNJV-UHFFFAOYSA-N 0 0 403.847 4.556 50 5 HJBARN CCc1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013370019 569412812 /nfs/dbraw/zinc/41/28/12/569412812.db2.gz CLKMJVWDCQDISM-MOPGFXCFSA-N 0 0 423.517 4.627 50 5 biogenic HJBARN CC(C)Oc1cccc([C@@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000040112744 571170845 /nfs/dbraw/zinc/17/08/45/571170845.db2.gz DOLSYIXWEYTKGF-GOSISDBHSA-N 0 0 414.505 4.819 50 5 HJBARN Cc1c(CSc2nnc(-c3ccncc3)n2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000040127338 571179039 /nfs/dbraw/zinc/17/90/39/571179039.db2.gz BNOIKFVEQXOOQY-UHFFFAOYSA-N 0 0 417.494 4.897 50 5 HJBARN O=C(CSc1ccc2ccccc2n1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000009155328 571231787 /nfs/dbraw/zinc/23/17/87/571231787.db2.gz IFZMZJPFZPDVTL-UHFFFAOYSA-N 0 0 422.491 4.997 50 5 HJBARN Cc1csc2nc(CSc3nc4cc([N+](=O)[O-])ccc4[nH]3)c(Br)n12 ZINC000009186678 571234930 /nfs/dbraw/zinc/23/49/30/571234930.db2.gz LDWVGOTURISWDD-UHFFFAOYSA-N 0 0 424.305 4.544 50 5 HJBARN O=C(CSc1nc2ccccc2o1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000009365008 571251803 /nfs/dbraw/zinc/25/18/03/571251803.db2.gz YLKDPVKHJOJBMN-UHFFFAOYSA-N 0 0 412.452 4.590 50 5 HJBARN O=C(Nc1ccccc1F)c1oc2ccccc2c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000009413874 571256098 /nfs/dbraw/zinc/25/60/98/571256098.db2.gz XWLNKELAWZXRTA-UHFFFAOYSA-N 0 0 419.368 4.985 50 5 HJBARN Cc1ccc2[nH]c(=O)c(CN(C(=O)c3cccc([N+](=O)[O-])c3)c3ccccc3)cc2c1 ZINC000009428672 571258021 /nfs/dbraw/zinc/25/80/21/571258021.db2.gz BMDPCXMNGLRZJO-UHFFFAOYSA-N 0 0 413.433 4.592 50 5 HJBARN Cc1c(C(=O)NCc2ccc(C)cc2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 ZINC000009569659 571268758 /nfs/dbraw/zinc/26/87/58/571268758.db2.gz BIBKBCKXCKBHDD-UHFFFAOYSA-N 0 0 406.467 4.518 50 5 HJBARN O=C(c1ccc([N+](=O)[O-])s1)N(Cc1cccnc1)c1nc2c(cccc2F)s1 ZINC000009829714 571287363 /nfs/dbraw/zinc/28/73/63/571287363.db2.gz AZBQVCYBCNTYRK-UHFFFAOYSA-N 0 0 414.443 4.647 50 5 HJBARN O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1ccc([N+](=O)[O-])cc1 ZINC000038811802 571307621 /nfs/dbraw/zinc/30/76/21/571307621.db2.gz IAHTYMSKHYMGBZ-UHFFFAOYSA-N 0 0 408.266 5.201 50 5 HJBARN CCOc1ccccc1N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000001225345 132242922 /nfs/dbraw/zinc/24/29/22/132242922.db2.gz IHUODRARJWZJKQ-UHFFFAOYSA-N 0 0 407.470 4.576 50 5 HJBARN COc1cc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(OC)cc1Cl ZINC000005028006 132298928 /nfs/dbraw/zinc/29/89/28/132298928.db2.gz NGXXOVUCMVQSBN-UHFFFAOYSA-N 0 0 419.865 4.508 50 5 HJBARN Cc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(Br)c1 ZINC000012556123 132363594 /nfs/dbraw/zinc/36/35/94/132363594.db2.gz DKOSQHGSDYVHIX-UHFFFAOYSA-N 0 0 418.291 4.521 50 5 HJBARN O=[N+]([O-])c1ccc(N2CCN(c3ccnc4cc(Cl)ccc43)CC2)c2ccncc21 ZINC000012633285 132365472 /nfs/dbraw/zinc/36/54/72/132365472.db2.gz FNLAHIACKOPUHN-UHFFFAOYSA-N 0 0 419.872 4.671 50 5 HJBARN CC(=O)Nc1ccccc1-c1nc2ccccc2nc1OCc1ccc([N+](=O)[O-])cc1 ZINC000001127601 519750316 /nfs/dbraw/zinc/75/03/16/519750316.db2.gz JJYPJFHTWLOVRL-UHFFFAOYSA-N 0 0 414.421 4.742 50 5 HJBARN CCOC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(Cl)c1 ZINC000044087342 520813956 /nfs/dbraw/zinc/81/39/56/520813956.db2.gz CLUOFJRCZAFXOE-UHFFFAOYSA-N 0 0 417.874 4.756 50 5 HJBARN Cc1c(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000001127521 525865335 /nfs/dbraw/zinc/86/53/35/525865335.db2.gz SSPXHMWWBGJBTR-UHFFFAOYSA-N 0 0 405.479 4.548 50 5 HJBARN Cc1c(OC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)ccc2c3ccccc3c(=O)oc12 ZINC000000629670 525881710 /nfs/dbraw/zinc/88/17/10/525881710.db2.gz VKCDXFXQZRWLNU-GOSISDBHSA-N 0 0 423.465 4.560 50 5 HJBARN O=C(c1cccn1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000044154659 526816887 /nfs/dbraw/zinc/81/68/87/526816887.db2.gz ANNUNEVAPSBTTQ-UHFFFAOYSA-N 0 0 401.555 4.957 50 5 HJBARN O=c1c2c3nc4ccccc4nc3n(Cc3ccccc3)c2ncn1C1CCCCC1 ZINC000002307824 557336216 /nfs/dbraw/zinc/33/62/16/557336216.db2.gz RNTFSDIMVYALEQ-UHFFFAOYSA-N 0 0 409.493 4.848 50 5 HJBARN Cc1c(OC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc2c3ccccc3c(=O)oc12 ZINC000006142183 557690226 /nfs/dbraw/zinc/69/02/26/557690226.db2.gz VKCDXFXQZRWLNU-SFHVURJKSA-N 0 0 423.465 4.560 50 5 HJBARN Cc1ccc(-n2c3nc4ccccc4nc3c3c2ncn(Cc2ccccc2)c3=O)cc1 ZINC000002317910 557692681 /nfs/dbraw/zinc/69/26/81/557692681.db2.gz KLSVEBXZJQTIQR-UHFFFAOYSA-N 0 0 417.472 4.640 50 5 HJBARN Cc1cc(C)c(OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c(Br)c1 ZINC000004551523 558678679 /nfs/dbraw/zinc/67/86/79/558678679.db2.gz QRSASHZGVAXHKL-UHFFFAOYSA-N 0 0 413.655 4.645 50 5 HJBARN CC(=O)Nc1cccc(Oc2cc([N+](=O)[O-])cc3c2C(=O)Nc2ccccc2O3)c1 ZINC000004573115 558744469 /nfs/dbraw/zinc/74/44/69/558744469.db2.gz GVKYTMYPEPFSLC-UHFFFAOYSA-N 0 0 405.366 4.704 50 5 HJBARN CC[C@@H](NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 ZINC000004578097 558754528 /nfs/dbraw/zinc/75/45/28/558754528.db2.gz ODSYFWGBTKBMKT-HPXCNGPASA-N 0 0 412.939 4.522 50 5 HJBARN O=c1c2ccccc2nc(/C=C/c2c[nH]c3ccccc23)n1-c1ccc([N+](=O)[O-])cc1 ZINC000004670463 558874722 /nfs/dbraw/zinc/87/47/22/558874722.db2.gz QFBSTUWWRSFDJH-NTEUORMPSA-N 0 0 408.417 4.946 50 5 aggregator HJBARN COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c([N+](=O)[O-])cc1OC ZINC000004674784 558884613 /nfs/dbraw/zinc/88/46/13/558884613.db2.gz XOPGOJSXOLEUNM-UHFFFAOYSA-N 0 0 404.728 4.537 50 5 HJBARN Cc1cc2n(n1)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)Nc1ccc(Cl)cc1)=C(C)N2 ZINC000072332700 558893059 /nfs/dbraw/zinc/89/30/59/558893059.db2.gz VTSQSZYBPIIICA-FQEVSTJZSA-N 0 0 423.860 4.681 50 5 HJBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cccc(-c2nc3ccccc3s2)c1 ZINC000004695693 558900730 /nfs/dbraw/zinc/90/07/30/558900730.db2.gz IOCISPPUFWCWBO-UHFFFAOYSA-N 0 0 401.403 4.672 50 5 HJBARN O=C(Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000013941647 558984932 /nfs/dbraw/zinc/98/49/32/558984932.db2.gz RKLYVOYDGQDRHS-UHFFFAOYSA-N 0 0 421.796 4.669 50 5 HJBARN O=C(Nc1ccccc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1cccc(Cl)c1 ZINC000022135350 558994581 /nfs/dbraw/zinc/99/45/81/558994581.db2.gz PSBBMOPTQJKAGL-DEDYPNTBSA-N 0 0 421.840 4.658 50 5 HJBARN 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Cc1c(C(=O)N2CCCc3ccccc32)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 ZINC000016992532 569270721 /nfs/dbraw/zinc/27/07/21/569270721.db2.gz WZKKJIAKUZFRGJ-UHFFFAOYSA-N 0 0 418.478 4.872 50 5 HJBARN CC(=O)Oc1ccc2c(-c3cc4c(ccc5ccccc54)oc3=O)cc(=O)oc2c1C ZINC000002111048 569284039 /nfs/dbraw/zinc/28/40/39/569284039.db2.gz KXKNCZJVQUJDBP-UHFFFAOYSA-N 0 0 412.397 4.953 50 5 biogenic HJBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000007645016 569298466 /nfs/dbraw/zinc/29/84/66/569298466.db2.gz YDVDVDZMEGKVED-UHFFFAOYSA-N 0 0 401.875 4.878 50 5 HJBARN Cc1ccc(-c2[nH]nc(NC(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)c2C)o1 ZINC000241160579 569302334 /nfs/dbraw/zinc/30/23/34/569302334.db2.gz JYKKFIQQBGYCIB-UHFFFAOYSA-N 0 0 420.223 4.601 50 5 HJBARN CCCCn1c2nc3ccccc3nc2c2c1nc(C)n(Cc1ccc(C)cc1)c2=O ZINC000002256609 569326418 /nfs/dbraw/zinc/32/64/18/569326418.db2.gz FMIONPORGZNGOG-UHFFFAOYSA-N 0 0 411.509 4.760 50 5 HJBARN O=c1c2c3nc4ccccc4nc3n(-c3ccccc3)c2ncn1CCc1ccccc1 ZINC000002307619 569372699 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HJBARN COc1ccccc1-c1noc(-c2ccc(N(C)Cc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000008586848 571083622 /nfs/dbraw/zinc/08/36/22/571083622.db2.gz CFNUAGWAKJBVAK-UHFFFAOYSA-N 0 0 416.437 4.957 50 5 HJBARN Cn1cc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000008692055 571101854 /nfs/dbraw/zinc/10/18/54/571101854.db2.gz XVKOWMBULMXQTC-BUHFOSPRSA-N 0 0 422.444 4.956 50 5 HJBARN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000008857464 571128309 /nfs/dbraw/zinc/12/83/09/571128309.db2.gz BNMRVSAEDDIWKL-UHFFFAOYSA-N 0 0 422.190 4.762 50 5 HJBARN O=C(Nc1ccccc1Cl)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 ZINC000008927104 571160202 /nfs/dbraw/zinc/16/02/02/571160202.db2.gz SORZFIFSOXNJMX-ZHZULCJRSA-N 0 0 421.840 4.658 50 5 HJBARN O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000040096474 571162063 /nfs/dbraw/zinc/16/20/63/571162063.db2.gz ZFYBBVDDOJIDPH-UHFFFAOYSA-N 0 0 418.453 4.741 50 5 HJBARN O=C(Nc1ccccc1Cc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000040098860 571162457 /nfs/dbraw/zinc/16/24/57/571162457.db2.gz AYWDTQUOOPOSID-UHFFFAOYSA-N 0 0 416.481 4.540 50 5 HJBARN Cc1ccc(CSc2nnc(NC(=O)c3cc(F)c(C)c([N+](=O)[O-])c3)s2)cc1 ZINC000040140545 571191820 /nfs/dbraw/zinc/19/18/20/571191820.db2.gz MIGLWUWZAXLNKI-UHFFFAOYSA-N 0 0 418.475 4.747 50 5 HJBARN CCOc1ccc(Nc2nc(Nc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])cc1 ZINC000009009253 571210082 /nfs/dbraw/zinc/21/00/82/571210082.db2.gz WGNISLQVZXEGEG-UHFFFAOYSA-N 0 0 400.826 4.506 50 5 HJBARN COc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccncc2)cc1 ZINC000009296241 571245870 /nfs/dbraw/zinc/24/58/70/571245870.db2.gz ATGLMPPTQNDHGF-UHFFFAOYSA-N 0 0 419.466 4.538 50 5 HJBARN Cc1nn([C@@H]2CCOC(C)(C)C2)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)SCC(=O)N2 ZINC000009350412 571250629 /nfs/dbraw/zinc/25/06/29/571250629.db2.gz VJLFXQVWARDSSI-QAPCUYQASA-N 0 0 416.503 4.654 50 5 HJBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N(Cc1ccccn1)c1nc2ccccc2s1 ZINC000009716991 571281720 /nfs/dbraw/zinc/28/17/20/571281720.db2.gz ZENMLSZMYQSSDF-VAWYXSNFSA-N 0 0 416.462 4.846 50 5 HJBARN O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1ccc([N+](=O)[O-])cc1 ZINC000038811803 571307601 /nfs/dbraw/zinc/30/76/01/571307601.db2.gz BXPBRMJJJFUKLE-UHFFFAOYSA-N 0 0 408.266 5.201 50 5 HJBARN CCOc1c(Br)cc(F)cc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000032899264 520594012 /nfs/dbraw/zinc/59/40/12/520594012.db2.gz OSSQJVRBULPNPJ-UHFFFAOYSA-N 0 0 417.618 4.801 50 5 HJBARN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)c2ccc(Cl)cc2)CC1 ZINC000020095960 521043490 /nfs/dbraw/zinc/04/34/90/521043490.db2.gz VAPQXMACGOBYFM-UHFFFAOYSA-N 0 0 416.861 4.524 50 5 HJBARN C[C@@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000032771502 525719288 /nfs/dbraw/zinc/71/92/88/525719288.db2.gz PIKSKSPFNNXBJE-OAHLLOKOSA-N 0 0 419.441 4.678 50 5 HJBARN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(Cc1ccc(C)cc1)[C@@H]1CCc2ccccc21 ZINC000069948874 527089364 /nfs/dbraw/zinc/08/93/64/527089364.db2.gz PZVKTWNXIZNDPX-JOCHJYFZSA-N 0 0 418.497 4.515 50 5 HJBARN CC1CCN(c2nn3c(=O)c4c5c(sc4nc3c3ccccc32)C[C@H](C)CC5)CC1 ZINC000003339061 535287568 /nfs/dbraw/zinc/28/75/68/535287568.db2.gz VHHSNUSPOOFLGN-OAHLLOKOSA-N 0 0 418.566 4.819 50 5 HJBARN Cc1[nH]c2nn(-c3ccccc3)c(=O)c-2c2c3cc(Cl)cc(Cl)c3oc(=O)c12 ZINC000020085956 558331062 /nfs/dbraw/zinc/33/10/62/558331062.db2.gz VYGSVQSOXCIPHX-UHFFFAOYSA-N 0 0 412.232 4.589 50 5 HJBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCCSc2ccccc21 ZINC000022099202 558463540 /nfs/dbraw/zinc/46/35/40/558463540.db2.gz QYMOZWVIOMOFAO-UHFFFAOYSA-N 0 0 400.503 4.684 50 5 HJBARN CCC(=O)Oc1cn(Cc2cccs2)c2nc(CC)n3c4ccccc4nc3c12 ZINC000013228193 558527172 /nfs/dbraw/zinc/52/71/72/558527172.db2.gz LLKWBRJWXLNDDP-UHFFFAOYSA-N 0 0 404.495 4.825 50 5 HJBARN CCCC(=O)Oc1cn(CCCOC)c2nc(CCC)n3c4ccccc4nc3c12 ZINC000013238016 558527956 /nfs/dbraw/zinc/52/79/56/558527956.db2.gz CQXNMATVLKKXKV-UHFFFAOYSA-N 0 0 408.502 4.532 50 5 HJBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000010901446 558549258 /nfs/dbraw/zinc/54/92/58/558549258.db2.gz XYQJQAUAGRZODY-UHFFFAOYSA-N 0 0 410.861 4.584 50 5 HJBARN Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1-c1cc2ccccc2oc1=O ZINC000004575460 558740519 /nfs/dbraw/zinc/74/05/19/558740519.db2.gz MBAXAHGZRXXBRX-UHFFFAOYSA-N 0 0 400.390 4.929 50 5 HJBARN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(Cl)c1F ZINC000016060298 558770996 /nfs/dbraw/zinc/77/09/96/558770996.db2.gz KJSWWDYKGGGCNO-UHFFFAOYSA-N 0 0 405.735 4.847 50 5 HJBARN CSc1nc(-c2cccs2)nc(C)c1C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000022978182 558810557 /nfs/dbraw/zinc/81/05/57/558810557.db2.gz CBDPAXVNAWLIKD-UHFFFAOYSA-N 0 0 401.469 4.501 50 5 HJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000004689098 558893709 /nfs/dbraw/zinc/89/37/09/558893709.db2.gz IBFFOJLURBNHSL-UHFFFAOYSA-N 0 0 405.621 4.581 50 5 HJBARN CCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000004767971 559055394 /nfs/dbraw/zinc/05/53/94/559055394.db2.gz ZXHDSJCDXIRODQ-OAQYLSRUSA-N 0 0 420.469 4.967 50 5 HJBARN CN1c2ccc([N+](=O)[O-])cc2C(C)(C)[C@]12C=Cc1cc(Br)ccc1O2 ZINC000004794285 559066096 /nfs/dbraw/zinc/06/60/96/559066096.db2.gz OMOQPYVLAIHVOU-LJQANCHMSA-N 0 0 401.260 4.887 50 5 HJBARN COc1cc([N+](=O)[O-])ccc1-c1ccc(C=Cc2cc(C(F)(F)F)nc(=O)[nH]2)o1 ZINC000033394492 559159421 /nfs/dbraw/zinc/15/94/21/559159421.db2.gz SJLFHUJQSJXXOM-RQOWECAXSA-N 0 0 407.304 4.548 50 5 HJBARN COCCCNc1cc2oc3cc(C)ccc3[nH]c2c2c(=O)c3ccccc3c(=O)c12 ZINC000004834758 559165347 /nfs/dbraw/zinc/16/53/47/559165347.db2.gz AKZNVTSEEMOJLR-UHFFFAOYSA-N 0 0 414.461 4.698 50 5 HJBARN O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 ZINC000005141787 559251705 /nfs/dbraw/zinc/25/17/05/559251705.db2.gz SOPGDRKYGQBYCO-XXBNENTESA-N 0 0 415.405 4.566 50 5 HJBARN COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cccc([N+](=O)[O-])c2)c1 ZINC000248182513 559268425 /nfs/dbraw/zinc/26/84/25/559268425.db2.gz FIJUYMJOTUDCJO-GGAORHGYSA-N 0 0 401.422 4.846 50 5 HJBARN O=C(/C=C/c1cccc(Cl)c1Cl)Nc1cc2cccc([N+](=O)[O-])c2oc1=O ZINC000005185274 559290684 /nfs/dbraw/zinc/29/06/84/559290684.db2.gz JGCXLKAJDHJHRV-BQYQJAHWSA-N 0 0 405.193 4.660 50 5 HJBARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cc([N+](=O)[O-])ccc3C)C2=O)cc1 ZINC000103005069 560836407 /nfs/dbraw/zinc/83/64/07/560836407.db2.gz RRXUWZLMDWAOSU-STZFKDTASA-N 0 0 413.433 4.852 50 5 HJBARN CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1[N+](=O)[O-] ZINC000000817477 568490055 /nfs/dbraw/zinc/49/00/55/568490055.db2.gz ZERAXQQALYYLPJ-UHFFFAOYSA-N 0 0 402.410 4.789 50 5 aggregator HJBARN COC(=O)c1c(C)c(Cc2ccccc2)sc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000000834002 568501558 /nfs/dbraw/zinc/50/15/58/568501558.db2.gz RUAOGQNGVVRWNT-UHFFFAOYSA-N 0 0 410.451 4.594 50 5 HJBARN COc1ccc(-c2noc(-c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)n2)cc1 ZINC000020897751 568649344 /nfs/dbraw/zinc/64/93/44/568649344.db2.gz YCBUOIZITKHGEZ-UHFFFAOYSA-N 0 0 402.410 4.933 50 5 HJBARN CC[C@H](C)N(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)/C=C/c1ccccc1 ZINC000096288390 568719479 /nfs/dbraw/zinc/71/94/79/568719479.db2.gz LEZAJEQFOOZBMI-ZGUWOUCSSA-N 0 0 420.469 4.528 50 5 HJBARN O=C(COc1cccc2ccccc21)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000000947857 568752959 /nfs/dbraw/zinc/75/29/59/568752959.db2.gz XWAVFLRYPUWQHL-UHFFFAOYSA-N 0 0 405.435 4.889 50 5 HJBARN O=C(c1ccccc1[N+](=O)[O-])N(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000096822837 568764795 /nfs/dbraw/zinc/76/47/95/568764795.db2.gz SPCBOCWBTRVPTP-TWGQIWQCSA-N 0 0 416.433 4.726 50 5 HJBARN O=[N+]([O-])c1cc2c(c(C3OCCO3)nn2-c2ccccc2)c(SCc2ccco2)c1 ZINC000001068568 568766826 /nfs/dbraw/zinc/76/68/26/568766826.db2.gz DNKRINPBSIRLFN-UHFFFAOYSA-N 0 0 423.450 4.864 50 5 HJBARN Cc1ccc(C2=N/C(=C/c3cc([N+](=O)[O-])ccc3OCc3ccccc3)C(=O)O2)cc1 ZINC000001118002 568770815 /nfs/dbraw/zinc/77/08/15/568770815.db2.gz LSROHOMWMFPAON-KGENOOAVSA-N 0 0 414.417 4.827 50 5 HJBARN COc1cc(C=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000001143029 568772322 /nfs/dbraw/zinc/77/23/22/568772322.db2.gz CUXMUDFQGSZRSB-UHFFFAOYSA-N 0 0 420.137 4.990 50 5 HJBARN Cc1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1cccs1 ZINC000001150807 568774043 /nfs/dbraw/zinc/77/40/43/568774043.db2.gz CMOMFNSLPAAPKR-IZZDOVSWSA-N 0 0 407.451 4.869 50 5 HJBARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2nn(-c3ccccc3)nc2c1 ZINC000001157679 568774426 /nfs/dbraw/zinc/77/44/26/568774426.db2.gz SQPSGHAKPXPKAG-YRNVUSSQSA-N 0 0 419.828 4.634 50 5 HJBARN COc1ccc([C@H](c2c[nH]c3ccccc32)N(C)C(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000028288777 568783848 /nfs/dbraw/zinc/78/38/48/568783848.db2.gz JTFKJBOKJOSSII-HSZRJFAPSA-N 0 0 415.449 4.946 50 5 HJBARN O=c1c2ccccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccc(F)cc1 ZINC000002635236 568791866 /nfs/dbraw/zinc/79/18/66/568791866.db2.gz OQLLIQWCWSLBPC-UHFFFAOYSA-N 0 0 407.426 4.725 50 5 HJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(Br)cc1Cl ZINC000002853807 568813204 /nfs/dbraw/zinc/81/32/04/568813204.db2.gz IJUMBFCQZWLUHJ-UHFFFAOYSA-N 0 0 400.616 4.663 50 5 HJBARN O=C1NC(=S)SC1=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000002912822 568815742 /nfs/dbraw/zinc/81/57/42/568815742.db2.gz NYJNYDIKKAUJBU-VGOFMYFVSA-N 0 0 403.397 4.624 50 5 HJBARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000001175513 568818937 /nfs/dbraw/zinc/81/89/37/568818937.db2.gz WEPYTQABXZNYIH-UHFFFAOYSA-N 0 0 414.421 4.708 50 5 HJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1oc(=O)c2ccccc2c1-c1ccccc1 ZINC000002940006 568819017 /nfs/dbraw/zinc/81/90/17/568819017.db2.gz FZRHGULYZJMYFD-UHFFFAOYSA-N 0 0 416.389 4.629 50 5 HJBARN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccccc1Br ZINC000002979728 568831715 /nfs/dbraw/zinc/83/17/15/568831715.db2.gz BBYJPHKYTVQKFJ-UHFFFAOYSA-N 0 0 404.245 4.733 50 5 HJBARN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001220639 568838285 /nfs/dbraw/zinc/83/82/85/568838285.db2.gz ANIFZNGNMPUHFH-UHFFFAOYSA-N 0 0 407.817 4.543 50 5 HJBARN O=C(c1ccc(Sc2ccc(Br)cc2)c([N+](=O)[O-])c1)N1CCCC1 ZINC000003015304 568838529 /nfs/dbraw/zinc/83/85/29/568838529.db2.gz OGVSQTUEMUKWTF-UHFFFAOYSA-N 0 0 407.289 4.745 50 5 HJBARN Cc1nc2oc3ccc(Cl)cc3c(=O)c2cc1C(=O)NCc1ccc(Cl)cc1 ZINC000003027714 568841657 /nfs/dbraw/zinc/84/16/57/568841657.db2.gz MQERSRSBGSQPSG-UHFFFAOYSA-N 0 0 413.260 4.886 50 5 HJBARN C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000230209889 568854945 /nfs/dbraw/zinc/85/49/45/568854945.db2.gz NJTBPTINBLYOMG-STXHMFSFSA-N 0 0 423.494 4.709 50 5 HJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000003217388 568862944 /nfs/dbraw/zinc/86/29/44/568862944.db2.gz CHZIQTDOIJCZKV-UHFFFAOYSA-N 0 0 420.450 4.770 50 5 HJBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1sc2ccccc2c1Cl ZINC000003363469 568888481 /nfs/dbraw/zinc/88/84/81/568888481.db2.gz PUUOSOWWSUJBOO-UHFFFAOYSA-N 0 0 405.815 4.686 50 5 HJBARN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cccc(-c2ccsc2)c1 ZINC000058313738 568911003 /nfs/dbraw/zinc/91/10/03/568911003.db2.gz NVOUDDBSSGQMHW-UHFFFAOYSA-N 0 0 423.450 4.650 50 5 HJBARN COc1ccc([N+](=O)[O-])cc1-c1ccc(C=Cc2cc(C(F)(F)F)nc(=O)[nH]2)o1 ZINC000003833714 568927105 /nfs/dbraw/zinc/92/71/05/568927105.db2.gz UXPOFELPDCIEPL-DUXPYHPUSA-N 0 0 407.304 4.548 50 5 HJBARN CCOC(=O)/C=C(/C)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1c1cc2ccccc2[nH]1 ZINC000031829606 568933394 /nfs/dbraw/zinc/93/33/94/568933394.db2.gz MFPYJSYTPCQIPY-SISXUJTISA-N 0 0 418.453 4.694 50 5 HJBARN Cc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@H](C)CC4)cc1[N+](=O)[O-] ZINC000004149966 568946656 /nfs/dbraw/zinc/94/66/56/568946656.db2.gz OGUZPMXAEPZNPF-GFCCVEGCSA-N 0 0 400.456 4.575 50 5 HJBARN O=C(Nc1ccccc1)c1oc2ccccc2c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004267172 568956218 /nfs/dbraw/zinc/95/62/18/568956218.db2.gz FXRBICMJPYWNED-UHFFFAOYSA-N 0 0 401.378 4.846 50 5 HJBARN Cc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccccc3[N+](=O)[O-])sc2c1 ZINC000004273158 568957679 /nfs/dbraw/zinc/95/76/79/568957679.db2.gz KFEALNMDWOXUHL-UHFFFAOYSA-N 0 0 404.451 4.755 50 5 HJBARN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000006083485 568996771 /nfs/dbraw/zinc/99/67/71/568996771.db2.gz AJTNUMPYNLLMFC-NSHDSACASA-N 0 0 415.799 4.726 50 5 HJBARN Cc1ccc([N+](=O)[O-])c(OCCOc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])c1 ZINC000001793995 569053141 /nfs/dbraw/zinc/05/31/41/569053141.db2.gz KLQZNUGWWBHASX-UHFFFAOYSA-N 0 0 424.409 4.848 50 5 HJBARN CCCn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000065322213 569224437 /nfs/dbraw/zinc/22/44/37/569224437.db2.gz BRJGTWHQUZWMOH-UHFFFAOYSA-N 0 0 421.501 4.593 50 5 HJBARN CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000239287407 569232306 /nfs/dbraw/zinc/23/23/06/569232306.db2.gz CSHIGNMVWHCXNP-UPVQGACJSA-N 0 0 415.449 5.236 50 5 HJBARN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Cl)nc1C(F)(F)F ZINC000170610495 569245363 /nfs/dbraw/zinc/24/53/63/569245363.db2.gz KNGYKUCHPATUBE-UHFFFAOYSA-N 0 0 424.560 4.677 50 5 HJBARN COc1cccc2c1O[C@@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c3ccc(C)o3)C[C@@H]21 ZINC000170618978 569248291 /nfs/dbraw/zinc/24/82/91/569248291.db2.gz PUSKRQCKMPAHMR-AVRDEDQJSA-N 0 0 405.410 4.747 50 5 HJBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccncc1)c1nc2ccc(F)cc2s1 ZINC000010254317 569254191 /nfs/dbraw/zinc/25/41/91/569254191.db2.gz VLRHWUJDBKVJLJ-UHFFFAOYSA-N 0 0 408.414 4.586 50 5 HJBARN Cc1cc(C)cc(-n2c(-c3ccccc3C)nc3c(c(=O)c4ccccc4n3C)c2=O)c1 ZINC000002201082 569295557 /nfs/dbraw/zinc/29/55/57/569295557.db2.gz VSJGHYPKTXOBHJ-UHFFFAOYSA-N 0 0 421.500 4.830 50 5 HJBARN CC(=O)c1ccc(-n2c3nc4ccccc4nc3nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002236213 569321544 /nfs/dbraw/zinc/32/15/44/569321544.db2.gz ULAGASOVVDSSCP-UHFFFAOYSA-N 0 0 409.405 4.747 50 5 HJBARN CC(C)Cn1cnc2c(c3nc4ccccc4nc3n2CCC2=CCCCC2)c1=O ZINC000002248084 569324438 /nfs/dbraw/zinc/32/44/38/569324438.db2.gz CDETXSZPBVRCOY-UHFFFAOYSA-N 0 0 401.514 4.841 50 5 HJBARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000019799518 569357331 /nfs/dbraw/zinc/35/73/31/569357331.db2.gz XLCBPMHIXQRPBE-ZJSXRUAMSA-N 0 0 413.433 4.656 50 5 HJBARN Cc1cc(C)cc(-n2c(=O)c3c(=O)c4ccccc4n(C)c3nc2-c2cccs2)c1 ZINC000002354673 569385281 /nfs/dbraw/zinc/38/52/81/569385281.db2.gz TYOSXOQNCVVVEN-UHFFFAOYSA-N 0 0 413.502 4.583 50 5 HJBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 ZINC000027663834 569388690 /nfs/dbraw/zinc/38/86/90/569388690.db2.gz KWPAHNPDBQNRSQ-MRXNPFEDSA-N 0 0 409.269 4.723 50 5 HJBARN O=[N+]([O-])c1cc(S(=O)(=O)Oc2ccc(OCc3ccccc3)cc2)ccc1Cl ZINC000009030229 569391308 /nfs/dbraw/zinc/39/13/08/569391308.db2.gz LHCYZQMXTXRRDZ-UHFFFAOYSA-N 0 0 419.842 4.595 50 5 HJBARN COc1cc(/C=C/C(=O)Nc2ccc(Cl)cc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000010509156 569396466 /nfs/dbraw/zinc/39/64/66/569396466.db2.gz HBEVQZUZDWZAFU-ZZXKWVIFSA-N 0 0 412.776 4.819 50 5 HJBARN O=c1nc(C(F)(F)F)cc(C=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[nH]1 ZINC000013576569 569396737 /nfs/dbraw/zinc/39/67/37/569396737.db2.gz 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O=C(CSc1nc2ccccc2c2nc3ccccc3n21)N1CCc2ccccc2C1 ZINC000008760771 571114008 /nfs/dbraw/zinc/11/40/08/571114008.db2.gz WRGKYMSOLFXJQZ-UHFFFAOYSA-N 0 0 424.529 4.713 50 5 HJBARN Cc1c(CSc2nnc(CN3CCCCC3)n2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000040122993 571178778 /nfs/dbraw/zinc/17/87/78/571178778.db2.gz BKBKGSAEMZYBNG-UHFFFAOYSA-N 0 0 423.542 4.762 50 5 HJBARN COc1cc(C(=O)Nc2cccc(-c3nccs3)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000040150692 571199103 /nfs/dbraw/zinc/19/91/03/571199103.db2.gz VSSMBIFEIMVIQE-UHFFFAOYSA-N 0 0 421.381 4.581 50 5 HJBARN COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000009329534 571248405 /nfs/dbraw/zinc/24/84/05/571248405.db2.gz OARNUICCGIDMSI-UHFFFAOYSA-N 0 0 416.393 4.573 50 5 HJBARN O=C(Cc1cccs1)Nc1c2ccccc2oc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000009344916 571250050 /nfs/dbraw/zinc/25/00/50/571250050.db2.gz LMSDKIGAHRIZBN-UHFFFAOYSA-N 0 0 421.434 4.836 50 5 HJBARN O=[N+]([O-])c1cc(CSc2nc3cc(C(F)(F)F)ccc3[nH]2)c2c(c1)COCO2 ZINC000070021947 571254560 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COc1ccc(Cl)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000005688443 536577706 /nfs/dbraw/zinc/57/77/06/536577706.db2.gz ALJJBFDXCSVYAS-UHFFFAOYSA-N 0 0 403.866 4.745 50 5 HJBARN O=c1c2ccccc2nc2nc(-c3ccccc3)c3cc(Br)ccc3n12 ZINC000003042579 557786783 /nfs/dbraw/zinc/78/67/83/557786783.db2.gz YKFNMJLDRSEPGN-UHFFFAOYSA-N 0 0 402.251 4.825 50 5 HJBARN COc1ccccc1NC(=O)CSc1nc2ccccc2c2nc3ccccc3n21 ZINC000013153036 558524116 /nfs/dbraw/zinc/52/41/16/558524116.db2.gz UHWPTFAYCRKKQR-UHFFFAOYSA-N 0 0 414.490 4.775 50 5 HJBARN CCC(=O)Oc1cn(-c2cccc(F)c2)c2nc(CC)n3c4ccccc4nc3c12 ZINC000013541598 558537598 /nfs/dbraw/zinc/53/75/98/558537598.db2.gz CBIINZRPBQMDHV-UHFFFAOYSA-N 0 0 402.429 4.843 50 5 HJBARN COc1cccc2c1O[C@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c3ccc(C)o3)C[C@H]21 ZINC000004424289 558543882 /nfs/dbraw/zinc/54/38/82/558543882.db2.gz PUSKRQCKMPAHMR-XMSQKQJNSA-N 0 0 405.410 4.747 50 5 HJBARN Cc1cc(C)c2c(n1)sc1c3nc(-c4ccccc4Br)nn3cnc12 ZINC000013643553 558555928 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413.457 4.556 50 5 HJBARN CC1(C)[C@@H]([N+](=O)[O-])[C@H](c2ccccc2Cl)N[C@@H](c2ccccc2Cl)[C@H]1[N+](=O)[O-] ZINC000013786090 558868866 /nfs/dbraw/zinc/86/88/66/558868866.db2.gz UPLODQWJFKBBKR-XLAORIBOSA-N 0 0 424.284 4.696 50 5 HJBARN COc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1ccc(F)cc1Cl ZINC000004660036 558873680 /nfs/dbraw/zinc/87/36/80/558873680.db2.gz ZXFOEXJJPRRFGI-UHFFFAOYSA-N 0 0 410.832 4.595 50 5 HJBARN COc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1cccc([N+](=O)[O-])c1)O2 ZINC000013801502 558882546 /nfs/dbraw/zinc/88/25/46/558882546.db2.gz VTKZDTUTWZFSRQ-FYYLOGMGSA-N 0 0 401.422 4.846 50 5 HJBARN O=[N+]([O-])c1ccc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000023243417 559064629 /nfs/dbraw/zinc/06/46/29/559064629.db2.gz FBFXCJOAEITJHH-UHFFFAOYSA-N 0 0 409.436 4.785 50 5 HJBARN CC(=O)Nc1cccc(-n2c(=O)c3ccc4oc5ccccc5c5ccc(c2=O)c3c45)c1 ZINC000098087104 559065391 /nfs/dbraw/zinc/06/53/91/559065391.db2.gz KCRAPJVTVOYFTP-UHFFFAOYSA-N 0 0 420.424 4.800 50 5 HJBARN CC(C)Cn1c2ncn(Cc3ccc(Cl)cc3)c(=O)c2c2nc3ccccc3nc21 ZINC000005055100 559237574 /nfs/dbraw/zinc/23/75/74/559237574.db2.gz RNHSMWLVHHPXLN-UHFFFAOYSA-N 0 0 417.900 4.652 50 5 HJBARN CC[C@H](C)n1c(C)nc2c(c3nc4ccccc4nc3n2Cc2ccc(F)cc2)c1=O ZINC000005065046 559239772 /nfs/dbraw/zinc/23/97/72/559239772.db2.gz YPYYGRWMKRTYKK-AWEZNQCLSA-N 0 0 415.472 4.761 50 5 HJBARN O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3cc(Br)ccc3c12 ZINC000003991710 560193147 /nfs/dbraw/zinc/19/31/47/560193147.db2.gz NMFKDDRQSNVETB-UHFFFAOYSA-N 0 0 404.223 4.602 50 5 in-vitro HJBARN COc1ccc(-c2nc3c(c4nc5ccccc5n42)c(=O)c2ccccc2n3C)cc1 ZINC000005271569 560561016 /nfs/dbraw/zinc/56/10/16/560561016.db2.gz ZZGXSQDQHGFRSW-UHFFFAOYSA-N 0 0 406.445 4.563 50 5 HJBARN CC(C)COc1cccc(OCC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC000005444434 560587998 /nfs/dbraw/zinc/58/79/98/560587998.db2.gz RZLFFQNKTNHPML-UHFFFAOYSA-N 0 0 412.364 4.666 50 5 HJBARN CCCCn1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)c2cc3cc(OC)ccc3nc21 ZINC000005572746 560624078 /nfs/dbraw/zinc/62/40/78/560624078.db2.gz TZQSWQUZGYGIKX-UHFFFAOYSA-N 0 0 419.441 4.554 50 5 HJBARN COc1cccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)oc3ccccc3c2=O)c1 ZINC000101192169 560789042 /nfs/dbraw/zinc/78/90/42/560789042.db2.gz WRJSIJFCSTWUNJ-UHFFFAOYSA-N 0 0 416.389 4.629 50 5 HJBARN Cc1cccc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)oc3ccccc3c2=O)c1 ZINC000101342769 560793170 /nfs/dbraw/zinc/79/31/70/560793170.db2.gz MYXAZCPXFDDXBQ-UHFFFAOYSA-N 0 0 400.390 4.929 50 5 HJBARN Cc1ccc(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000024512451 560842931 /nfs/dbraw/zinc/84/29/31/560842931.db2.gz LKZHDKIRHJLBBL-UHFFFAOYSA-N 0 0 405.241 4.707 50 5 HJBARN COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000000663098 568460156 /nfs/dbraw/zinc/46/01/56/568460156.db2.gz FVNOEUBQAFGLTB-UHFFFAOYSA-N 0 0 410.451 4.979 50 5 HJBARN CCOc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)cc1[N+](=O)[O-] ZINC000000817480 568490106 /nfs/dbraw/zinc/49/01/06/568490106.db2.gz FAIVLBGLKDJGJH-UHFFFAOYSA-N 0 0 418.409 4.757 50 5 HJBARN Cn1cnnc1-c1ccc(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 ZINC000095428698 568608293 /nfs/dbraw/zinc/60/82/93/568608293.db2.gz SBZNYJLBRWETQC-UHFFFAOYSA-N 0 0 419.416 4.934 50 5 HJBARN O=C(N[C@@H](CO)c1ccccc1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000095456344 568617770 /nfs/dbraw/zinc/61/77/70/568617770.db2.gz FNWSJZZCVFLEDK-SFHVURJKSA-N 0 0 412.829 4.504 50 5 HJBARN COc1ccccc1CNC(=O)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1 ZINC000020643563 568638644 /nfs/dbraw/zinc/63/86/44/568638644.db2.gz IIBNUMGPRLNPMU-UHFFFAOYSA-N 0 0 414.490 4.637 50 5 HJBARN CC(=O)N1N=C(c2ccccc2[N+](=O)[O-])O[C@@]1(C)c1ccc(-c2ccccc2)cc1 ZINC000021090718 568664060 /nfs/dbraw/zinc/66/40/60/568664060.db2.gz HSSAFPYFIMXNSF-QHCPKHFHSA-N 0 0 401.422 4.675 50 5 HJBARN CC(C)CC(=O)N(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](C)c1ccccc1 ZINC000096278931 568717251 /nfs/dbraw/zinc/71/72/51/568717251.db2.gz RAEGDLHRBVIVJT-QGZVFWFLSA-N 0 0 422.485 4.823 50 5 HJBARN CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc2c1CCCCC2 ZINC000000879618 568735001 /nfs/dbraw/zinc/73/50/01/568735001.db2.gz ZFWGPUYMXCTWNJ-UHFFFAOYSA-N 0 0 402.472 4.663 50 5 HJBARN Cc1ccccc1C(=O)Oc1c(Br)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000001042529 568764423 /nfs/dbraw/zinc/76/44/23/568764423.db2.gz YIMAVZXHQFIHIW-UHFFFAOYSA-N 0 0 404.138 4.904 50 5 HJBARN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C\C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000096449644 568752850 /nfs/dbraw/zinc/75/28/50/568752850.db2.gz MHTASCBLMFKKFM-SEYXRHQNSA-N 0 0 405.454 4.521 50 5 HJBARN CCC[C@@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c2C(N)=O)C1 ZINC000000994647 568759818 /nfs/dbraw/zinc/75/98/18/568759818.db2.gz MRBDQQIWWAOTBC-SNVBAGLBSA-N 0 0 421.906 4.566 50 5 HJBARN CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2c1CC[C@@H](C)C2 ZINC000000997934 568760011 /nfs/dbraw/zinc/76/00/11/568760011.db2.gz BRMIZLKREANCPL-SNVBAGLBSA-N 0 0 422.890 4.864 50 5 HJBARN Cc1ccc(S(=O)(=O)n2cc3c4c2cc([N+](=O)[O-])cc4Oc2ccccc2C3)cc1 ZINC000001075708 568767011 /nfs/dbraw/zinc/76/70/11/568767011.db2.gz OMKIILGJVTVMOD-UHFFFAOYSA-N 0 0 420.446 4.791 50 5 HJBARN Cc1ccc(C(=O)COc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1C ZINC000001109231 568768760 /nfs/dbraw/zinc/76/87/60/568768760.db2.gz IIMINNONWULIKT-UHFFFAOYSA-N 0 0 404.422 4.726 50 5 HJBARN Cc1c(OCC(=O)c2cccc([N+](=O)[O-])c2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000001120641 568771211 /nfs/dbraw/zinc/77/12/11/568771211.db2.gz BTGLNGVQESQTRQ-UHFFFAOYSA-N 0 0 415.401 4.938 50 5 HJBARN COc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(OC)cc1Cl ZINC000001143349 568772333 /nfs/dbraw/zinc/77/23/33/568772333.db2.gz IKAOUXDSJBDZMP-UHFFFAOYSA-N 0 0 402.790 4.778 50 5 HJBARN COc1ccc(-c2nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2C)cc1 ZINC000001144425 568772559 /nfs/dbraw/zinc/77/25/59/568772559.db2.gz KDLNSVUGDLRJML-UHFFFAOYSA-N 0 0 403.847 4.941 50 5 HJBARN CCCc1cc(=O)oc2cc(OCc3cc([N+](=O)[O-])ccc3OC)c(Cl)cc12 ZINC000001154726 568774251 /nfs/dbraw/zinc/77/42/51/568774251.db2.gz XTMSWYQWSYHJBK-UHFFFAOYSA-N 0 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O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N(Cc1ccccc1)c1ccccc1 ZINC000002872695 568813796 /nfs/dbraw/zinc/81/37/96/568813796.db2.gz FELNOFVIAUAEOX-UHFFFAOYSA-N 0 0 400.390 4.548 50 5 HJBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2oc(-c3ccccc3F)nc2c1 ZINC000001206578 568823548 /nfs/dbraw/zinc/82/35/48/568823548.db2.gz SGUQKGXLMKLCKM-UHFFFAOYSA-N 0 0 407.357 4.560 50 5 HJBARN Cc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3n2)cc1 ZINC000001218709 568824875 /nfs/dbraw/zinc/82/48/75/568824875.db2.gz GAJQDJUFSARIBG-DHZHZOJOSA-N 0 0 413.437 4.597 50 5 HJBARN O=[N+]([O-])c1cccnc1N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000029527622 568827580 /nfs/dbraw/zinc/82/75/80/568827580.db2.gz DOAQYQOTKTVUIQ-UHFFFAOYSA-N 0 0 414.918 4.694 50 5 HJBARN Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1[N+](=O)[O-] ZINC000003001709 568836860 /nfs/dbraw/zinc/83/68/60/568836860.db2.gz ZGLMYRRQKYVKGT-UHFFFAOYSA-N 0 0 418.365 4.872 50 5 HJBARN Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CSC3)c1C 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401.419 4.762 50 5 HJBARN Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000015768016 568996016 /nfs/dbraw/zinc/99/60/16/568996016.db2.gz MYXMSEWSOHRBNR-UHFFFAOYSA-N 0 0 415.858 4.943 50 5 HJBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000015838269 569013647 /nfs/dbraw/zinc/01/36/47/569013647.db2.gz FCGVSFKGOCXSCX-OAQYLSRUSA-N 0 0 402.406 4.610 50 5 HJBARN O=C(OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2)c1ccc([N+](=O)[O-])s1 ZINC000016044012 569028089 /nfs/dbraw/zinc/02/80/89/569028089.db2.gz HCUUHWJXTVZXLS-HXUWFJFHSA-N 0 0 415.398 4.760 50 5 HJBARN CCOc1ccc(Oc2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)cc1 ZINC000006261425 569036017 /nfs/dbraw/zinc/03/60/17/569036017.db2.gz KBZWQTXFILKVQJ-UHFFFAOYSA-N 0 0 408.410 4.803 50 5 HJBARN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000013007040 569049746 /nfs/dbraw/zinc/04/97/46/569049746.db2.gz QXIHABSDJFDKGJ-OAQYLSRUSA-N 0 0 410.520 4.923 50 5 HJBARN O=C(N[C@@H](Oc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000027025456 569070973 /nfs/dbraw/zinc/07/09/73/569070973.db2.gz HVIAIIRPNFJDKJ-AWEZNQCLSA-N 0 0 424.067 4.753 50 5 HJBARN COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1[N+](=O)[O-] ZINC000006623466 569075164 /nfs/dbraw/zinc/07/51/64/569075164.db2.gz GRZRZZZJTPIXFQ-UHFFFAOYSA-N 0 0 414.439 4.505 50 5 HJBARN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000089780844 569264120 /nfs/dbraw/zinc/26/41/20/569264120.db2.gz KIQKZORSCBZMDL-UHFFFAOYSA-N 0 0 409.471 4.525 50 5 HJBARN CC(C)n1cc(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000089894059 569268091 /nfs/dbraw/zinc/26/80/91/569268091.db2.gz JMEIFNOFCCZZNI-UHFFFAOYSA-N 0 0 402.458 4.837 50 5 HJBARN CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc2c1CC[C@H](C)C2 ZINC000017093320 569273882 /nfs/dbraw/zinc/27/38/82/569273882.db2.gz SHOGGZPTBQVBFX-JTQLQIEISA-N 0 0 422.890 4.864 50 5 HJBARN O=C(Nc1nc(-c2ccc(Br)s2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000017155604 569275833 /nfs/dbraw/zinc/27/58/33/569275833.db2.gz JAECAVAMIYUNMD-UHFFFAOYSA-N 0 0 410.274 4.795 50 5 HJBARN C[C@H]1CCN(C)c2ccccc2N1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000170640368 569282110 /nfs/dbraw/zinc/28/21/10/569282110.db2.gz BDCRASIDTOPLFP-AWEZNQCLSA-N 0 0 408.483 4.594 50 5 HJBARN Cc1c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2oc(=O)c1CCC(C)C ZINC000002139650 569287640 /nfs/dbraw/zinc/28/76/40/569287640.db2.gz FQACDYZATFOHIB-UHFFFAOYSA-N 0 0 424.453 4.616 50 5 biogenic HJBARN O=[N+]([O-])c1ccccc1CN1CCCn2cccc2[C@@H]1c1cc(F)c(F)cc1F ZINC000037523786 569303665 /nfs/dbraw/zinc/30/36/65/569303665.db2.gz MSROJZSRPWCYQI-NRFANRHFSA-N 0 0 401.388 4.809 50 5 HJBARN COc1ccccc1C1=NN(C(=O)c2cccs2)[C@H](c2ccccc2[N+](=O)[O-])C1 ZINC000241586467 569309762 /nfs/dbraw/zinc/30/97/62/569309762.db2.gz OWESFTSRDBIMOL-SFHVURJKSA-N 0 0 407.451 4.656 50 5 HJBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000007915885 569321693 /nfs/dbraw/zinc/32/16/93/569321693.db2.gz HMZNKAKWKCSCTJ-UHFFFAOYSA-N 0 0 404.451 4.820 50 5 HJBARN CCCCCn1c2ncn(CCc3ccccc3)c(=O)c2c2nc3ccccc3nc21 ZINC000002239096 569322472 /nfs/dbraw/zinc/32/24/72/569322472.db2.gz FIPQGPGMHTWYDO-UHFFFAOYSA-N 0 0 411.509 4.727 50 5 HJBARN O=c1oc2ccccc2cc1-c1csc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)n1 ZINC000002239520 569322598 /nfs/dbraw/zinc/32/25/98/569322598.db2.gz XGPRFIKJRUFKFJ-UHFFFAOYSA-N 0 0 418.386 4.598 50 5 HJBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)/C(=C\c1ccccc1)NC(=O)c1ccccc1 ZINC000027520794 569328143 /nfs/dbraw/zinc/32/81/43/569328143.db2.gz YFQKSIXZDCKIPD-CPNJWEJPSA-N 0 0 421.840 4.658 50 5 HJBARN CC[C@@H](C)n1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccc(F)cc2)c1=O ZINC000002333593 569375194 /nfs/dbraw/zinc/37/51/94/569375194.db2.gz UUAUVRALRXDKDO-CYBMUJFWSA-N 0 0 401.445 4.702 50 5 HJBARN COc1ccc2c(c1)oc1nc(-c3ccc(C)cc3)n(Cc3ccccc3)c(=O)c1c2=O ZINC000002353471 569385266 /nfs/dbraw/zinc/38/52/66/569385266.db2.gz GWSPMPQFYSIWHN-UHFFFAOYSA-N 0 0 424.456 4.535 50 5 HJBARN Cc1cccc(Cn2cnc3c(c4nc5ccccc5nc4n3-c3ccccc3)c2=O)c1 ZINC000002366135 569388208 /nfs/dbraw/zinc/38/82/08/569388208.db2.gz IXBRJKRZAPLYSM-UHFFFAOYSA-N 0 0 417.472 4.640 50 5 HJBARN O=C(NCc1ccccc1)[C@H](Sc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000009191559 569391705 /nfs/dbraw/zinc/39/17/05/569391705.db2.gz JYXYRAJKQCWSIO-HXUWFJFHSA-N 0 0 418.478 4.621 50 5 HJBARN Cc1ccc(-n2c3nc4ccccc4nc3c3c2ncn(CCC(C)C)c3=O)cc1C ZINC000002429373 569398934 /nfs/dbraw/zinc/39/89/34/569398934.db2.gz RDAOEALLQICKFC-UHFFFAOYSA-N 0 0 411.509 4.947 50 5 HJBARN Cc1cc(C(=O)N[C@H](Cc2nc3ccccc3n2C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000012628961 569402156 /nfs/dbraw/zinc/40/21/56/569402156.db2.gz WCHDDUKYLQBBPD-HXUWFJFHSA-N 0 0 414.465 4.504 50 5 HJBARN CCOc1ccc(C(=O)NC(=S)Nc2ccc([C@@H](C)CC)cc2)cc1[N+](=O)[O-] ZINC000001173275 571043157 /nfs/dbraw/zinc/04/31/57/571043157.db2.gz SOVSJUDFRWERBN-ZDUSSCGKSA-N 0 0 401.488 4.634 50 5 HJBARN O=[N+]([O-])c1ccc2sc(SCc3nc4ccccn4c3Br)nc2c1 ZINC000008683392 571101353 /nfs/dbraw/zinc/10/13/53/571101353.db2.gz NVQGTACPBQTPCM-UHFFFAOYSA-N 0 0 421.301 4.907 50 5 HJBARN COc1ccc(-c2nc3oc4cc(OC)ccc4c(=O)c3c3nc4ccccc4n32)cc1 ZINC000009002141 571209822 /nfs/dbraw/zinc/20/98/22/571209822.db2.gz RNFUPCMJYBRAHZ-UHFFFAOYSA-N 0 0 423.428 4.826 50 5 HJBARN COc1cccc(-c2nc3oc4cc(OC)ccc4c(=O)c3c3nc4ccccc4n32)c1 ZINC000009002144 571209838 /nfs/dbraw/zinc/20/98/38/571209838.db2.gz IZOYMBKKHDADTH-UHFFFAOYSA-N 0 0 423.428 4.826 50 5 HJBARN Cc1ccc2cc(CN(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc3)c(=O)[nH]c2c1 ZINC000009075966 571218805 /nfs/dbraw/zinc/21/88/05/571218805.db2.gz BYZVRTJEJSLKNB-UHFFFAOYSA-N 0 0 413.433 4.592 50 5 HJBARN O=C(Nc1nnc(-c2cc3ccccc3o2)o1)c1cc2c(ccc3ccccc32)oc1=O ZINC000009169466 571233364 /nfs/dbraw/zinc/23/33/64/571233364.db2.gz JQWXNSJIEXLIDR-UHFFFAOYSA-N 0 0 423.384 4.995 50 5 HJBARN O=[N+]([O-])c1ccc(-c2nnc(CSc3nnc(Nc4ccccc4)s3)o2)cc1 ZINC000009284445 571244922 /nfs/dbraw/zinc/24/49/22/571244922.db2.gz AWRFXHRVXWAGIA-UHFFFAOYSA-N 0 0 412.456 4.532 50 5 HJBARN O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1ccc2ccccc2c1 ZINC000009404497 571255223 /nfs/dbraw/zinc/25/52/23/571255223.db2.gz HHFWKFOCXMNOKZ-UHFFFAOYSA-N 0 0 416.462 4.933 50 5 HJBARN C[C@H](NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-n2ccnc2)cc1 ZINC000009915572 571290204 /nfs/dbraw/zinc/29/02/04/571290204.db2.gz GMSLVTPVZMEBDH-HNNXBMFYSA-N 0 0 402.410 4.532 50 5 HJBARN O=C(COc1ccc(Br)cc1)Nc1ccc2c(c1)oc1ccccc1c2=O ZINC000010233186 571297694 /nfs/dbraw/zinc/29/76/94/571297694.db2.gz JGGYZEFWMPJYIC-UHFFFAOYSA-N 0 0 424.250 4.726 50 5 HJBARN CCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000001408498 132245811 /nfs/dbraw/zinc/24/58/11/132245811.db2.gz WASYUYLMSNGWOQ-UHFFFAOYSA-N 0 0 403.866 4.890 50 5 HJBARN C[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000012553916 132363253 /nfs/dbraw/zinc/36/32/53/132363253.db2.gz ZICCRQQPZRBVME-AWEZNQCLSA-N 0 0 421.419 4.707 50 5 HJBARN CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)C=Cc2ccccc2[N+](=O)[O-])c1 ZINC000032818871 518842853 /nfs/dbraw/zinc/84/28/53/518842853.db2.gz CRNVLZIMUNYQSP-DHZHZOJOSA-N 0 0 401.394 4.733 50 5 HJBARN COc1ccc2oc(C)c(C(=O)Nc3ccc([N+](=O)[O-])cc3Br)c2c1 ZINC000041156481 525684511 /nfs/dbraw/zinc/68/45/11/525684511.db2.gz UMHKQSVZQVLTKT-UHFFFAOYSA-N 0 0 405.204 4.673 50 5 HJBARN Cc1c2ccc3ccccc3c2oc1C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000012542184 525968003 /nfs/dbraw/zinc/96/80/03/525968003.db2.gz JWXMLYOMVVWXIU-CQSZACIVSA-N 0 0 418.405 4.987 50 5 HJBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1cccc(C(F)(F)F)c1 ZINC000001170811 527061224 /nfs/dbraw/zinc/06/12/24/527061224.db2.gz MHKZRNJPDBQRDT-UHFFFAOYSA-N 0 0 413.402 4.954 50 5 HJBARN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3cc([N+](=O)[O-])ccc32)cc1Cl ZINC000027533620 558674317 /nfs/dbraw/zinc/67/43/17/558674317.db2.gz SBUGCLDOCVOWIJ-UHFFFAOYSA-N 0 0 421.840 4.663 50 5 HJBARN CC(=O)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000015659060 558747834 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SDEKCCGUIMBCOL-UHFFFAOYSA-N 0 0 416.393 4.573 50 5 HJBARN O=C1NC(=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1c1ccccc1 ZINC000004702411 558906633 /nfs/dbraw/zinc/90/66/33/558906633.db2.gz NWGMWDLBDNVMEO-WJDWOHSUSA-N 0 0 409.785 4.606 50 5 HJBARN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000004793861 559064961 /nfs/dbraw/zinc/06/49/61/559064961.db2.gz YLZMVDAXSRCEDE-UHFFFAOYSA-N 0 0 404.662 4.682 50 5 HJBARN COc1cccc(-c2cc(C(=O)NC3CCCCC3)n(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000004807722 559068472 /nfs/dbraw/zinc/06/84/72/559068472.db2.gz UQCRJGWPOBGSPU-UHFFFAOYSA-N 0 0 420.469 4.519 50 5 HJBARN Cc1ccc(-c2noc(CN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C(C)C)n2)cc1 ZINC000004958766 559216423 /nfs/dbraw/zinc/21/64/23/559216423.db2.gz HIWHIRCZYYCTNE-UHFFFAOYSA-N 0 0 414.849 4.657 50 5 HJBARN Cc1ccc(-c2c(=O)c3ccccc3n(C)c2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005302654 560562836 /nfs/dbraw/zinc/56/28/36/560562836.db2.gz HXQMPVPBXOUDQU-UHFFFAOYSA-N 0 0 413.433 4.674 50 5 HJBARN CCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc21 ZINC000005445355 560588092 /nfs/dbraw/zinc/58/80/92/560588092.db2.gz AYURHDXCGSCGSK-UHFFFAOYSA-N 0 0 403.774 4.699 50 5 HJBARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2[N+](=O)[O-])cc1 ZINC000005525436 560605226 /nfs/dbraw/zinc/60/52/26/560605226.db2.gz LEYCKGRFIBDZLN-JTHBVZDNSA-N 0 0 401.422 4.846 50 5 HJBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1-c1nc(-c2ccccc2F)no1 ZINC000005532408 560606078 /nfs/dbraw/zinc/60/60/78/560606078.db2.gz AUABYCQYRBOFPW-UHFFFAOYSA-N 0 0 404.357 4.703 50 5 HJBARN CCOP(=O)(OCC)[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000005601016 560629056 /nfs/dbraw/zinc/62/90/56/560629056.db2.gz YPDLFOJNULJGOM-QGZVFWFLSA-N 0 0 407.363 4.681 50 5 HJBARN COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O)cc1 ZINC000017952740 560731270 /nfs/dbraw/zinc/73/12/70/560731270.db2.gz APQADEXZDAKXDK-UHFFFAOYSA-N 0 0 417.421 4.945 50 5 aggregator HJBARN CCOc1ccc(-c2nc(COc3cc(F)ccc3[N+](=O)[O-])cs2)cc1OC ZINC000024699390 568457029 /nfs/dbraw/zinc/45/70/29/568457029.db2.gz XLAJSKYBUJBKCJ-UHFFFAOYSA-N 0 0 404.419 4.844 50 5 HJBARN CCOC(=O)c1c2ccccc2sc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000000657372 568457683 /nfs/dbraw/zinc/45/76/83/568457683.db2.gz NXNNCDRUHMNLCP-UHFFFAOYSA-N 0 0 404.831 4.892 50 5 HJBARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000024871138 568473582 /nfs/dbraw/zinc/47/35/82/568473582.db2.gz HTOGDUNFZRNFQD-ZDUSSCGKSA-N 0 0 403.504 4.783 50 5 HJBARN Cc1ccc(Cl)cc1NC(=O)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000020516252 568623773 /nfs/dbraw/zinc/62/37/73/568623773.db2.gz NIDHHEFNIWDJRI-UHFFFAOYSA-N 0 0 414.893 4.931 50 5 HJBARN COc1ccccc1CNc1ccc(-c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000020897605 568649319 /nfs/dbraw/zinc/64/93/19/568649319.db2.gz GLBIITMQXDBMBP-UHFFFAOYSA-N 0 0 402.410 4.933 50 5 HJBARN Cc1ccc([C@H]2Cc3cc(C(=O)Nc4cccc([N+](=O)[O-])c4)ccc3C(=O)O2)cc1 ZINC000020900167 568649606 /nfs/dbraw/zinc/64/96/06/568649606.db2.gz ZUPQDXMYDXUZRJ-OAQYLSRUSA-N 0 0 402.406 4.610 50 5 HJBARN C[C@H](NC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000095977364 568673483 /nfs/dbraw/zinc/67/34/83/568673483.db2.gz XARDJUHRTGFRGJ-JTQLQIEISA-N 0 0 402.756 4.523 50 5 HJBARN O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 ZINC000000849982 568711113 /nfs/dbraw/zinc/71/11/13/568711113.db2.gz PTIUQYFNDHUCOZ-UHFFFAOYSA-N 0 0 408.254 4.650 50 5 aggregator HJBARN CC(C)(C)CC(=O)N(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCCC1 ZINC000096277182 568715817 /nfs/dbraw/zinc/71/58/17/568715817.db2.gz CKIPCNQEGSRWBA-UHFFFAOYSA-N 0 0 414.506 4.785 50 5 HJBARN O=C(Nc1ncc(Cc2cccc([N+](=O)[O-])c2)s1)c1ccc(Br)cc1 ZINC000000934431 568750915 /nfs/dbraw/zinc/75/09/15/568750915.db2.gz BSTNDTFEBXYPQF-UHFFFAOYSA-N 0 0 418.272 4.657 50 5 HJBARN COC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001009060 568761105 /nfs/dbraw/zinc/76/11/05/568761105.db2.gz DAWKTDHSAANMHE-UHFFFAOYSA-N 0 0 410.451 4.979 50 5 HJBARN COc1ccc(-c2nn3c(nnc4c5ccccc5ccc43)c2Br)cc1 ZINC000001020744 568763459 /nfs/dbraw/zinc/76/34/59/568763459.db2.gz VKPYOLRKRFBTFS-UHFFFAOYSA-N 0 0 405.255 4.869 50 5 HJBARN COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001065187 568766005 /nfs/dbraw/zinc/76/60/05/568766005.db2.gz JHPVJSZOSNRAMQ-UHFFFAOYSA-N 0 0 416.389 4.629 50 5 HJBARN Cc1ccc(-c2nc(-c3ccc(NC(=O)c4cccs4)cc3)no2)cc1[N+](=O)[O-] ZINC000001086067 568767683 /nfs/dbraw/zinc/76/76/83/568767683.db2.gz LOBAZWSQHCCEKY-UHFFFAOYSA-N 0 0 406.423 4.934 50 5 HJBARN CC[C@H](Oc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1)C(=O)c1ccccc1 ZINC000001108742 568768592 /nfs/dbraw/zinc/76/85/92/568768592.db2.gz PTMPZGOXPBOBLJ-NRFANRHFSA-N 0 0 404.422 4.887 50 5 HJBARN O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc32)C1=O)N1CCCC1 ZINC000001101638 568768859 /nfs/dbraw/zinc/76/88/59/568768859.db2.gz GZMMEXSMJXQFSN-KGENOOAVSA-N 0 0 416.502 4.652 50 5 HJBARN COc1ccccc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000001110825 568770567 /nfs/dbraw/zinc/77/05/67/568770567.db2.gz FZWRBCGSPIEGCF-UHFFFAOYSA-N 0 0 414.421 4.708 50 5 HJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(C(C)C)cc1Br ZINC000001127201 568770882 /nfs/dbraw/zinc/77/08/82/568770882.db2.gz UYVXFNBXHRFGOO-UHFFFAOYSA-N 0 0 423.263 4.507 50 5 HJBARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000002628661 568790025 /nfs/dbraw/zinc/79/00/25/568790025.db2.gz CZTQCTRCAQHRIM-UHFFFAOYSA-N 0 0 416.412 4.517 50 5 aggregator HJBARN C[C@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000002629145 568790173 /nfs/dbraw/zinc/79/01/73/568790173.db2.gz GPYGACALOVHRLN-QMMMGPOBSA-N 0 0 406.719 4.812 50 5 HJBARN C[C@@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000002629146 568790220 /nfs/dbraw/zinc/79/02/20/568790220.db2.gz GPYGACALOVHRLN-MRVPVSSYSA-N 0 0 406.719 4.812 50 5 HJBARN O=C(Nc1ccc(F)cc1)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000002697229 568801130 /nfs/dbraw/zinc/80/11/30/568801130.db2.gz FUGCWSBFWMTXKO-UHFFFAOYSA-N 0 0 402.385 4.839 50 5 HJBARN O=C(Nc1nc2ccc(Br)cc2s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000002740371 568805787 /nfs/dbraw/zinc/80/57/87/568805787.db2.gz LJWRDVRZZPHKNU-UHFFFAOYSA-N 0 0 412.652 4.873 50 5 HJBARN O=c1c2ccccc2c(-c2cccc([N+](=O)[O-])c2)nn1-c1cccc(C(F)(F)F)c1 ZINC000002749891 568806389 /nfs/dbraw/zinc/80/63/89/568806389.db2.gz PHVRZTPSUFYIKH-UHFFFAOYSA-N 0 0 411.339 4.980 50 5 HJBARN CCCCOc1cccc(/C=C2/N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)c1 ZINC000002844835 568812804 /nfs/dbraw/zinc/81/28/04/568812804.db2.gz MPIKIHVHIJGMIE-WOJGMQOQSA-N 0 0 400.818 4.772 50 5 HJBARN O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000001178045 568819782 /nfs/dbraw/zinc/81/97/82/568819782.db2.gz YJJZNPLUYOKDQX-UHFFFAOYSA-N 0 0 404.662 4.682 50 5 HJBARN CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1[N+](=O)[O-] ZINC000001186533 568821830 /nfs/dbraw/zinc/82/18/30/568821830.db2.gz VCRFPPOEODAFOW-UHFFFAOYSA-N 0 0 411.439 4.560 50 5 HJBARN O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000001193120 568822792 /nfs/dbraw/zinc/82/27/92/568822792.db2.gz MWJGESHFFBZUTC-MOSHPQCFSA-N 0 0 418.380 4.657 50 5 HJBARN Cc1nn(-c2ccc(I)cc2)c(C)c1-c1cccc([N+](=O)[O-])c1 ZINC000001196832 568823016 /nfs/dbraw/zinc/82/30/16/568823016.db2.gz MCPQJRPURIWOTN-UHFFFAOYSA-N 0 0 419.222 4.669 50 5 HJBARN COC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000001200511 568823277 /nfs/dbraw/zinc/82/32/77/568823277.db2.gz HIRZDWYEZHHIKN-GFCCVEGCSA-N 0 0 416.499 4.846 50 5 HJBARN O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000001214723 568824677 /nfs/dbraw/zinc/82/46/77/568824677.db2.gz BJUARLKPXNPFEP-UHFFFAOYSA-N 0 0 422.491 4.879 50 5 HJBARN CCCCCOc1ccc(C(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])cc1 ZINC000005865556 568826670 /nfs/dbraw/zinc/82/66/70/568826670.db2.gz VELCSWZLRKAYGY-UHFFFAOYSA-N 0 0 414.458 4.576 50 5 HJBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCSCc1ccc(Cl)cc1Cl ZINC000002953855 568828921 /nfs/dbraw/zinc/82/89/21/568828921.db2.gz FRYPKWXSGBJLBE-QPJJXVBHSA-N 0 0 411.310 4.964 50 5 HJBARN Cc1cccc(/N=c2\oc3ccc([N+](=O)[O-])cc3cc2C(=O)Nc2nccs2)c1 ZINC000002951479 568829098 /nfs/dbraw/zinc/82/90/98/568829098.db2.gz XCDIYHUAUOWGAK-QOCHGBHMSA-N 0 0 406.423 4.591 50 5 HJBARN O=C(c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1)N1CCc2ccccc2C1 ZINC000002970443 568831704 /nfs/dbraw/zinc/83/17/04/568831704.db2.gz HNIBDOUGADBUGY-UHFFFAOYSA-N 0 0 410.502 4.523 50 5 HJBARN Cc1cc(C(=O)COc2ccc(C)nc2[N+](=O)[O-])c(C)n1Cc1ccccc1Cl ZINC000005970284 568833049 /nfs/dbraw/zinc/83/30/49/568833049.db2.gz ZLGZLCDIIFRDIH-UHFFFAOYSA-N 0 0 413.861 4.680 50 5 HJBARN COc1ccc(CNC(=O)c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 ZINC000003020154 568838855 /nfs/dbraw/zinc/83/88/55/568838855.db2.gz QMZJHZFZUXGQIR-UHFFFAOYSA-N 0 0 412.442 4.824 50 5 HJBARN CCCCOc1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1 ZINC000003028414 568842284 /nfs/dbraw/zinc/84/22/84/568842284.db2.gz ONTWIDXNYZOLND-BOPFTXTBSA-N 0 0 400.818 4.772 50 5 HJBARN Cc1ccccc1Cc1c(C)nc2nc(SCc3ccc([N+](=O)[O-])cc3)nn2c1C ZINC000003038560 568846114 /nfs/dbraw/zinc/84/61/14/568846114.db2.gz AVQSTJDBCRJOIK-UHFFFAOYSA-N 0 0 419.510 4.841 50 5 HJBARN COc1ccc(CSc2nnc(-c3cccc(Br)c3)o2)cc1[N+](=O)[O-] ZINC000003094676 568854711 /nfs/dbraw/zinc/85/47/11/568854711.db2.gz LGVLMPYTSYVXKT-UHFFFAOYSA-N 0 0 422.260 4.708 50 5 HJBARN CCc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(C)cc2)s1 ZINC000003433308 568859494 /nfs/dbraw/zinc/85/94/94/568859494.db2.gz KRXCRGIDGCDNTQ-UHFFFAOYSA-N 0 0 400.485 4.721 50 5 HJBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc(C(F)(F)F)cc1 ZINC000003248557 568867508 /nfs/dbraw/zinc/86/75/08/568867508.db2.gz RTWHNSVUNJYXQY-UHFFFAOYSA-N 0 0 413.402 4.954 50 5 HJBARN O=C(COC(=O)c1ccccc1-c1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000003261715 568869279 /nfs/dbraw/zinc/86/92/79/568869279.db2.gz RNSVJJFWSNAOLX-UHFFFAOYSA-N 0 0 418.430 4.911 50 5 HJBARN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(Cc1ccco1)c1ccccc1F ZINC000058014246 568875895 /nfs/dbraw/zinc/87/58/95/568875895.db2.gz VLDBEZRMNZWMLP-UHFFFAOYSA-N 0 0 423.444 4.777 50 5 HJBARN O=C(Cc1coc2ccc3ccccc3c12)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000003301104 568876576 /nfs/dbraw/zinc/87/65/76/568876576.db2.gz MVZSEHUYXKYZGB-UHFFFAOYSA-N 0 0 419.389 4.647 50 5 HJBARN O=C(Nc1ccccc1F)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1F ZINC000012621223 568877486 /nfs/dbraw/zinc/87/74/86/568877486.db2.gz CLWFSUZGSHUCOO-UHFFFAOYSA-N 0 0 423.375 4.534 50 5 HJBARN O=C(COC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000003315695 568879218 /nfs/dbraw/zinc/87/92/18/568879218.db2.gz XCWYCWZWMCFZTK-OAQYLSRUSA-N 0 0 407.447 4.854 50 5 HJBARN O=c1cc(Cn2cc(C(F)(F)F)cc(Cl)c2=O)c2c(ccc3ccccc32)o1 ZINC000003350632 568885668 /nfs/dbraw/zinc/88/56/68/568885668.db2.gz DPAGQRODACWPQH-UHFFFAOYSA-N 0 0 405.759 4.828 50 5 HJBARN Cc1ccc2oc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3O)nc2c1 ZINC000001296648 568913051 /nfs/dbraw/zinc/91/30/51/568913051.db2.gz PUPLLAYPQVXLEM-UHFFFAOYSA-N 0 0 403.394 4.978 50 5 HJBARN CC(=O)c1ccc(Nc2nc(C)nc(Nc3ccc(C(C)=O)cc3)c2[N+](=O)[O-])cc1 ZINC000004016829 568933696 /nfs/dbraw/zinc/93/36/96/568933696.db2.gz RVQSNJCXUVIDNM-UHFFFAOYSA-N 0 0 405.414 4.586 50 5 HJBARN Cc1ccc(Cl)cc1-n1nnnc1[C@@H](Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000004042549 568935932 /nfs/dbraw/zinc/93/59/32/568935932.db2.gz FUHDOFDRPLYNEW-FQEVSTJZSA-N 0 0 420.860 4.734 50 5 HJBARN Cc1c(CN2C(=O)[C@@H](c3ccccc3)N(Cc3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000059017079 568937279 /nfs/dbraw/zinc/93/72/79/568937279.db2.gz LEAMQAODTMCWJI-JOCHJYFZSA-N 0 0 415.449 4.609 50 5 HJBARN C[C@@H]1CCCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000084697623 568955817 /nfs/dbraw/zinc/95/58/17/568955817.db2.gz CPPBKFVAEBFXKO-GOSISDBHSA-N 0 0 418.497 4.639 50 5 HJBARN Cc1ccc(N[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)c(C)c1 ZINC000001452527 568986659 /nfs/dbraw/zinc/98/66/59/568986659.db2.gz BUOLXFVFRAFHQC-INIZCTEOSA-N 0 0 416.692 4.750 50 5 HJBARN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccccc1Cc1ccccc1 ZINC000008325268 568991425 /nfs/dbraw/zinc/99/14/25/568991425.db2.gz BXMSOUGGDLMRMD-UHFFFAOYSA-N 0 0 413.433 4.751 50 5 HJBARN O=c1c2ccccc2nc2c(-c3nc(-c4cccc(C(F)(F)F)c4)no3)cccn12 ZINC000015829065 569011834 /nfs/dbraw/zinc/01/18/34/569011834.db2.gz YOOBECPUQSKWAY-UHFFFAOYSA-N 0 0 408.339 4.584 50 5 HJBARN CCN(Cc1ccc(OC)cc1)c1ccc(-c2nc(-c3ccco3)no2)cc1[N+](=O)[O-] ZINC000015833914 569012767 /nfs/dbraw/zinc/01/27/67/569012767.db2.gz FBAQDKKKKTYVHV-UHFFFAOYSA-N 0 0 420.425 4.940 50 5 HJBARN O=C(OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2)c1ccc([N+](=O)[O-])s1 ZINC000016044013 569028106 /nfs/dbraw/zinc/02/81/06/569028106.db2.gz HCUUHWJXTVZXLS-FQEVSTJZSA-N 0 0 415.398 4.760 50 5 HJBARN C[C@H]1CCCN(c2ccc(C(=O)OCc3nc4ccccc4s3)cc2[N+](=O)[O-])C1 ZINC000006248370 569034620 /nfs/dbraw/zinc/03/46/20/569034620.db2.gz ADWHVXASXSBOKI-AWEZNQCLSA-N 0 0 411.483 4.798 50 5 HJBARN COc1ccc(OCCCC(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000001911519 569059173 /nfs/dbraw/zinc/05/91/73/569059173.db2.gz RUEYHZHAXRNXTI-UHFFFAOYSA-N 0 0 413.455 4.525 50 5 HJBARN O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006602570 569069902 /nfs/dbraw/zinc/06/99/02/569069902.db2.gz HYLZOJGXXGSIHB-OAHLLOKOSA-N 0 0 416.890 4.634 50 5 HJBARN Cc1nc(C(C)C)sc1[C@@H](C)N(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000089558948 569070233 /nfs/dbraw/zinc/07/02/33/569070233.db2.gz OFNOBHXLFATSHK-CYBMUJFWSA-N 0 0 401.492 4.726 50 5 HJBARN Cc1nc(C(C)C)sc1[C@H](C)N(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000089558950 569070244 /nfs/dbraw/zinc/07/02/44/569070244.db2.gz OFNOBHXLFATSHK-ZDUSSCGKSA-N 0 0 401.492 4.726 50 5 HJBARN O=[N+]([O-])c1cccc(S(=O)(=O)N(Cc2ccc(F)cc2)c2cccc(Cl)c2)c1 ZINC000036247499 569116987 /nfs/dbraw/zinc/11/69/87/569116987.db2.gz JISMUOMRFJQFQA-UHFFFAOYSA-N 0 0 420.849 4.783 50 5 HJBARN COc1ccc(N([C@@H](C)c2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000036247646 569117122 /nfs/dbraw/zinc/11/71/22/569117122.db2.gz GXWXZQRYRXDBSC-INIZCTEOSA-N 0 0 412.467 4.560 50 5 HJBARN Cc1cc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)ccc1[N+](=O)[O-] ZINC000006826117 569139580 /nfs/dbraw/zinc/13/95/80/569139580.db2.gz MPUBCMCFWFVNQT-UHFFFAOYSA-N 0 0 407.817 4.543 50 5 HJBARN Cc1cc(C)cc(CSc2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000006833510 569148344 /nfs/dbraw/zinc/14/83/44/569148344.db2.gz INFXCZXMRCJPPV-UHFFFAOYSA-N 0 0 400.485 4.608 50 5 HJBARN COc1ccc(OC)c(Nc2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc32)c1 ZINC000006858405 569154483 /nfs/dbraw/zinc/15/44/83/569154483.db2.gz SLXSCLKYWNFRKC-UHFFFAOYSA-N 0 0 402.410 4.966 50 5 HJBARN Cc1cc(C(=O)COC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)n1C1CC1 ZINC000006945065 569187348 /nfs/dbraw/zinc/18/73/48/569187348.db2.gz YIICXALISWFQQI-UHFFFAOYSA-N 0 0 408.410 4.648 50 5 HJBARN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000170624833 569249552 /nfs/dbraw/zinc/24/95/52/569249552.db2.gz NJTBPTINBLYOMG-QEEYODRMSA-N 0 0 423.494 4.709 50 5 HJBARN CCOc1ccc(Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000089991158 569271165 /nfs/dbraw/zinc/27/11/65/569271165.db2.gz DBUOOTCOKWAGKG-UHFFFAOYSA-N 0 0 413.455 4.538 50 5 HJBARN CC(C)(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007721346 569302615 /nfs/dbraw/zinc/30/26/15/569302615.db2.gz BWJRRTBMEVOOBR-UHFFFAOYSA-N 0 0 414.849 4.739 50 5 HJBARN Cc1ccc(-c2noc(CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C(C)C)n2)cc1 ZINC000007759762 569307319 /nfs/dbraw/zinc/30/73/19/569307319.db2.gz AIICAJLOEOOZTK-UHFFFAOYSA-N 0 0 414.849 4.657 50 5 HJBARN CCCCn1c2ncn(Cc3ccccc3Cl)c(=O)c2c2nc3ccccc3nc21 ZINC000002256765 569326420 /nfs/dbraw/zinc/32/64/20/569326420.db2.gz NLYGLYIIBOHIDG-UHFFFAOYSA-N 0 0 417.900 4.796 50 5 HJBARN O=[N+]([O-])c1c2nonc2c(N2CCCCC2)cc1Nc1ccc(Br)cc1 ZINC000027532382 569367683 /nfs/dbraw/zinc/36/76/83/569367683.db2.gz IXNVCADTGHPUHA-UHFFFAOYSA-N 0 0 418.251 4.627 50 5 HJBARN C[C@H](Cc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)s1)c1ccccc1 ZINC000009095399 569391497 /nfs/dbraw/zinc/39/14/97/569391497.db2.gz FWHPKSLWLFXJHZ-LLVKDONJSA-N 0 0 402.863 4.698 50 5 HJBARN COc1ccc2c(c1)oc1nc(-c3ccc(C)cc3)n(-c3ccc(C)cc3)c(=O)c1c2=O ZINC000002433723 569399320 /nfs/dbraw/zinc/39/93/20/569399320.db2.gz JDMYFTWSWKRFFC-UHFFFAOYSA-N 0 0 424.456 4.785 50 5 HJBARN COc1ccc(-c2coc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc3c2=O)cc1 ZINC000002432345 569399368 /nfs/dbraw/zinc/39/93/68/569399368.db2.gz MATZCGJIEXFIFQ-UHFFFAOYSA-N 0 0 417.373 4.596 50 5 biogenic HJBARN Cc1c(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000012919375 569405012 /nfs/dbraw/zinc/40/50/12/569405012.db2.gz JULQJGNSZNXRAL-FQEVSTJZSA-N 0 0 413.524 4.612 50 5 HJBARN COc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000012993333 569406110 /nfs/dbraw/zinc/40/61/10/569406110.db2.gz KMCVFBHWBXOXNR-GOSISDBHSA-N 0 0 400.481 4.514 50 5 HJBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000013006698 569406345 /nfs/dbraw/zinc/40/63/45/569406345.db2.gz VDVLTHOJFISBIU-UHFFFAOYSA-N 0 0 422.441 4.960 50 5 HJBARN C[C@@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1nc2ccccc2n1C ZINC000078821418 569420681 /nfs/dbraw/zinc/42/06/81/569420681.db2.gz YHZFLBIVUQGKOB-OAHLLOKOSA-N 0 0 415.453 4.716 50 5 HJBARN COc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccco2)cc1 ZINC000019824364 569430658 /nfs/dbraw/zinc/43/06/58/569430658.db2.gz IYDUFOXLRZLZIB-UHFFFAOYSA-N 0 0 408.439 4.736 50 5 HJBARN O=C(CC(c1ccccc1)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1-n1ccnc1 ZINC000008746250 571110645 /nfs/dbraw/zinc/11/06/45/571110645.db2.gz PPDJUKNWIVIRRH-UHFFFAOYSA-N 0 0 412.449 4.941 50 5 HJBARN C[C@@H](Cc1cccc(Cl)c1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000040112933 571170971 /nfs/dbraw/zinc/17/09/71/571170971.db2.gz ZVIFHLGOXIHHAM-INIZCTEOSA-N 0 0 404.897 4.556 50 5 HJBARN O=[N+]([O-])c1cccc(OCCSc2nnc(-c3ccc(Br)cc3)o2)c1 ZINC000040122876 571178731 /nfs/dbraw/zinc/17/87/31/571178731.db2.gz JUTWNJOCDTVEEN-UHFFFAOYSA-N 0 0 422.260 4.578 50 5 HJBARN O=[N+]([O-])c1ccc2nc(SCc3nc4ccccn4c3Br)sc2c1 ZINC000009086925 571219780 /nfs/dbraw/zinc/21/97/80/571219780.db2.gz JHRRCAPALULCJB-UHFFFAOYSA-N 0 0 421.301 4.907 50 5 HJBARN CCOc1ccc(NC(=O)c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000009136874 571229889 /nfs/dbraw/zinc/22/98/89/571229889.db2.gz QMQDNMHLAZFTBJ-UHFFFAOYSA-N 0 0 420.425 4.890 50 5 HJBARN C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000009441416 571259268 /nfs/dbraw/zinc/25/92/68/571259268.db2.gz TYTATIRGVYUZGM-MRVPVSSYSA-N 0 0 417.632 4.739 50 5 HJBARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)c2n1 ZINC000009654997 571276790 /nfs/dbraw/zinc/27/67/90/571276790.db2.gz SDVUTIXARYDMBX-UHFFFAOYSA-N 0 0 420.252 4.800 50 5 HJBARN COc1cc2c(cc1OC)[C@H](c1cccc([N+](=O)[O-])c1)N(c1ccc(C)cc1)C(=O)C2 ZINC000002916972 132259603 /nfs/dbraw/zinc/25/96/03/132259603.db2.gz VPQQMRJUVHCUDF-DEOSSOPVSA-N 0 0 418.449 4.599 50 5 HJBARN O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CC(=O)Nc2ccccc21 ZINC000003433269 132266045 /nfs/dbraw/zinc/26/60/45/132266045.db2.gz HVRHHVXIPSWRQR-UHFFFAOYSA-N 0 0 423.812 4.639 50 5 HJBARN O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004660693 132281137 /nfs/dbraw/zinc/28/11/37/132281137.db2.gz HFZHLBQZXZDKKO-UHFFFAOYSA-N 0 0 408.285 4.822 50 5 HJBARN COc1ccc(-c2nc3cc(C)ccc3o2)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000041091583 523230228 /nfs/dbraw/zinc/23/02/28/523230228.db2.gz MCAAMDUJJOUUCZ-UHFFFAOYSA-N 0 0 403.394 4.972 50 5 HJBARN Cc1cc(C(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000032925167 524143885 /nfs/dbraw/zinc/14/38/85/524143885.db2.gz AWZCZEZCQUVTLK-MRXNPFEDSA-N 0 0 403.438 4.647 50 5 HJBARN C[C@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000032936807 525644163 /nfs/dbraw/zinc/64/41/63/525644163.db2.gz SOZSYOWPQIQANK-ZETCQYMHSA-N 0 0 400.744 4.610 50 5 HJBARN O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000001170804 526911102 /nfs/dbraw/zinc/91/11/02/526911102.db2.gz RRANFOZIFUSKLK-UHFFFAOYSA-N 0 0 412.401 4.850 50 5 HJBARN Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)SCC(=O)N2 ZINC000044920688 527567642 /nfs/dbraw/zinc/56/76/42/527567642.db2.gz IIXAQADFYQJIIU-KRWDZBQOSA-N 0 0 415.862 4.562 50 5 HJBARN CC(C)c1ccc(O[P@@](C)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004697702 535373305 /nfs/dbraw/zinc/37/33/05/535373305.db2.gz KOCPINVNGRHPQH-MUUNZHRXSA-N 0 0 403.419 4.742 50 5 HJBARN CCCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000004714329 557586082 /nfs/dbraw/zinc/58/60/82/557586082.db2.gz SYAWVZIMRVSBCH-UHFFFAOYSA-N 0 0 421.475 4.524 50 5 HJBARN COc1ccc(Cn2c(=O)c3c(=O)c4ccccc4oc3nc2C2CCCCC2)cc1 ZINC000002436103 557711633 /nfs/dbraw/zinc/71/16/33/557711633.db2.gz UZFIGKFSGREPBV-UHFFFAOYSA-N 0 0 416.477 4.608 50 5 HJBARN O=C(CSc1nc2ccccc2c2nc3ccccc3n21)NCCc1cccs1 ZINC000020066010 558330284 /nfs/dbraw/zinc/33/02/84/558330284.db2.gz LIWBPECDZGALPL-UHFFFAOYSA-N 0 0 418.547 4.548 50 5 HJBARN Cc1cc(C(=O)N[C@@H](Cc2nc3ccccc3n2C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000012628958 558441097 /nfs/dbraw/zinc/44/10/97/558441097.db2.gz WCHDDUKYLQBBPD-FQEVSTJZSA-N 0 0 414.465 4.504 50 5 HJBARN CCCC(=O)Oc1cn(C[C@@H]2CCCO2)c2nc(CCC)n3c4ccccc4nc3c12 ZINC000013211630 558525706 /nfs/dbraw/zinc/52/57/06/558525706.db2.gz ORMANWMJTVIBRS-INIZCTEOSA-N 0 0 420.513 4.674 50 5 HJBARN COCCCn1cc(OC(=O)C(C)C)c2c3nc4ccccc4n3c(C(C)C)nc21 ZINC000013237822 558527994 /nfs/dbraw/zinc/52/79/94/558527994.db2.gz DLFRAGXFGSLTBC-UHFFFAOYSA-N 0 0 408.502 4.559 50 5 HJBARN O=[N+]([O-])c1cc([S@@](=O)C(F)(F)F)ccc1Sc1nc2ccccc2s1 ZINC000004455258 558589823 /nfs/dbraw/zinc/58/98/23/558589823.db2.gz XKWQXUYWQUXLHU-VWLOTQADSA-N 0 0 404.416 4.983 50 5 HJBARN O=C(Nc1ccc2c(c1)OCCO2)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000004545816 558662246 /nfs/dbraw/zinc/66/22/46/558662246.db2.gz YIEIDJHDYOHLKB-XSFVSMFZSA-N 0 0 402.406 4.545 50 5 HJBARN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)cc1OC ZINC000060033036 558662411 /nfs/dbraw/zinc/66/24/11/558662411.db2.gz UUKZPAYOCQJHIF-UHFFFAOYSA-N 0 0 423.425 4.750 50 5 HJBARN O=[N+]([O-])c1cccc(F)c1CN1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1 ZINC000072308284 558770199 /nfs/dbraw/zinc/77/01/99/558770199.db2.gz UCPWQSUMUREMDJ-UHFFFAOYSA-N 0 0 416.403 4.782 50 5 HJBARN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2F)c2cccc(Cl)c2)cc1 ZINC000036247118 558798430 /nfs/dbraw/zinc/79/84/30/558798430.db2.gz TVGGBHRGXDPGEH-UHFFFAOYSA-N 0 0 420.849 4.783 50 5 HJBARN O=C1C[C@H](c2ccsc2)c2c(-c3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c2N1 ZINC000013592884 558845824 /nfs/dbraw/zinc/84/58/24/558845824.db2.gz XBZOXLHETJUVRP-GOSISDBHSA-N 0 0 416.462 4.983 50 5 HJBARN COc1ccccc1CNc1ccc(C(=O)Nc2ccc(C)c(F)c2)cc1[N+](=O)[O-] ZINC000004668216 558878279 /nfs/dbraw/zinc/87/82/79/558878279.db2.gz MQNXEZFWJAKQKM-UHFFFAOYSA-N 0 0 409.417 4.915 50 5 HJBARN CCOc1ccccc1N1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000057945217 558891695 /nfs/dbraw/zinc/89/16/95/558891695.db2.gz FAOUIVVVSUMNNF-UHFFFAOYSA-N 0 0 414.505 4.667 50 5 HJBARN O=C1OC(c2ccc3ccccc3c2)=N/C1=C\c1ccc(Br)c([N+](=O)[O-])c1 ZINC000013930580 558963634 /nfs/dbraw/zinc/96/36/34/558963634.db2.gz FNZPFZPJVZKVKU-MFOYZWKCSA-N 0 0 423.222 4.855 50 5 HJBARN O=[N+]([O-])c1cccc(NC(Nc2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c1 ZINC000001603100 559056237 /nfs/dbraw/zinc/05/62/37/559056237.db2.gz DJLVKUWYCSXXAI-UHFFFAOYSA-N 0 0 405.625 4.723 50 5 HJBARN COc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c([N+](=O)[O-])c1 ZINC000004819578 559068998 /nfs/dbraw/zinc/06/89/98/559068998.db2.gz DVBNGHATSQSZAD-UHFFFAOYSA-N 0 0 408.439 4.565 50 5 HJBARN Nc1c(C(=O)c2ccc([N+](=O)[O-])cc2)sc2nc(C(F)(F)F)c3c(c12)CCCC3 ZINC000257173235 559166630 /nfs/dbraw/zinc/16/66/30/559166630.db2.gz HGOYLWBCNLSXSF-UHFFFAOYSA-N 0 0 421.400 4.915 50 5 HJBARN Cc1cc(=O)oc2cc(Oc3c([N+](=O)[O-])cc([N+](=O)[O-])cc3C(F)(F)F)ccc12 ZINC000011692222 559186294 /nfs/dbraw/zinc/18/62/94/559186294.db2.gz ZGAPKYPAYXJBMH-UHFFFAOYSA-N 0 0 410.260 4.729 50 5 HJBARN O=c1c2c3nc4ccccc4nc3n(C3CCCCC3)c2ncn1Cc1cccs1 ZINC000005030622 559230832 /nfs/dbraw/zinc/23/08/32/559230832.db2.gz BUVRNHHWHRVVLN-UHFFFAOYSA-N 0 0 415.522 4.909 50 5 HJBARN CCOc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccc(Cl)cc3)n2)cc1 ZINC000005055182 559237554 /nfs/dbraw/zinc/23/75/54/559237554.db2.gz HQZKOQOJCRFRTJ-UHFFFAOYSA-N 0 0 400.826 4.506 50 5 HJBARN CC[C@@H](C)n1c(C)nc2c(c3nc4ccccc4nc3n2Cc2ccc(F)cc2)c1=O ZINC000005065020 559239733 /nfs/dbraw/zinc/23/97/33/559239733.db2.gz YPYYGRWMKRTYKK-CQSZACIVSA-N 0 0 415.472 4.761 50 5 HJBARN CC[C@H](C)n1cnc2c(c3nc4ccccc4nc3n2-c2ccc(Cl)cc2)c1=O ZINC000005215557 560543144 /nfs/dbraw/zinc/54/31/44/560543144.db2.gz TWZVYQXRLOHSCE-ZDUSSCGKSA-N 0 0 403.873 4.908 50 5 HJBARN Cc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000005265020 560553409 /nfs/dbraw/zinc/55/34/09/560553409.db2.gz YUUKGMSPYJSICP-UHFFFAOYSA-N 0 0 404.451 4.755 50 5 HJBARN COc1ccc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccccc3)C2)cc1 ZINC000005446469 560588322 /nfs/dbraw/zinc/58/83/22/560588322.db2.gz ZVVGMRNAOHLEGU-JOCHJYFZSA-N 0 0 401.422 4.595 50 5 HJBARN Nc1c(-c2ccccc2Cl)c2ccc([N+](=O)[O-])cc2c(=O)n1-c1ccccc1F ZINC000005584325 560625795 /nfs/dbraw/zinc/62/57/95/560625795.db2.gz HIZBZQWAQMSPLX-UHFFFAOYSA-N 0 0 409.804 4.941 50 5 HJBARN Cn1ccnc1[C@@H](Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])c1ccccc1 ZINC000017590103 560720082 /nfs/dbraw/zinc/72/00/82/560720082.db2.gz JATSRNZBGNOPBO-QFIPXVFZSA-N 0 0 412.449 4.761 50 5 HJBARN CCCN(Cc1ccc(OCC(C)C)c(OC)c1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000017961252 560731464 /nfs/dbraw/zinc/73/14/64/560731464.db2.gz HMXAELSRRKRINN-UHFFFAOYSA-N 0 0 406.504 4.752 50 5 HJBARN C[C@@H](NC(=O)c1cccc(Cn2cc([N+](=O)[O-])cn2)c1)c1ccc(C(C)(C)C)cc1 ZINC000000653167 568457666 /nfs/dbraw/zinc/45/76/66/568457666.db2.gz QGXURXVGPIJLIT-MRXNPFEDSA-N 0 0 406.486 4.628 50 5 HJBARN Cc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000024838373 568469911 /nfs/dbraw/zinc/46/99/11/568469911.db2.gz KBNSXWROQVEDGC-UHFFFAOYSA-N 0 0 407.348 4.523 50 5 HJBARN COc1cccc(-c2nc3cc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)ccc3o2)c1 ZINC000000824718 568497916 /nfs/dbraw/zinc/49/79/16/568497916.db2.gz BHJQUOFVUXNYLL-UHFFFAOYSA-N 0 0 419.393 4.673 50 5 HJBARN Cc1ccc(/N=c2\oc3ccc([N+](=O)[O-])cc3cc2C(=O)Nc2nccs2)cc1C ZINC000020616611 568638236 /nfs/dbraw/zinc/63/82/36/568638236.db2.gz GFDSZVQBNYQADF-ATJXCDBQSA-N 0 0 420.450 4.899 50 5 HJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1oc(=O)c2ccccc2c1-c1ccccc1 ZINC000020767482 568643176 /nfs/dbraw/zinc/64/31/76/568643176.db2.gz PEYBUIDYDLWJIZ-UHFFFAOYSA-N 0 0 416.389 4.629 50 5 HJBARN CC(C)n1c2ccccc2c2nnc(Sc3cc4nsnc4c([N+](=O)[O-])c3)nc21 ZINC000012401768 568704880 /nfs/dbraw/zinc/70/48/80/568704880.db2.gz QYMZRXFTYFTYHX-UHFFFAOYSA-N 0 0 423.483 4.625 50 5 HJBARN Cc1ccc(N(C(=O)c2ccco2)C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000034675644 568725734 /nfs/dbraw/zinc/72/57/34/568725734.db2.gz ZIOADLNQMYAMHH-UHFFFAOYSA-N 0 0 419.481 4.808 50 5 HJBARN COc1cccc2c1O[C@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c3ccc(C)o3)C[C@@H]21 ZINC000000934712 568751708 /nfs/dbraw/zinc/75/17/08/568751708.db2.gz PUSKRQCKMPAHMR-PGRDOPGGSA-N 0 0 405.410 4.747 50 5 HJBARN Cc1cc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)ccc1[N+](=O)[O-] ZINC000001000047 568761132 /nfs/dbraw/zinc/76/11/32/568761132.db2.gz PGXDXVURDYLJHY-UHFFFAOYSA-N 0 0 405.241 4.707 50 5 HJBARN CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CC[C@H](C)C2 ZINC000001067909 568766688 /nfs/dbraw/zinc/76/66/88/568766688.db2.gz FQZHDSTUFDOPRP-JTQLQIEISA-N 0 0 422.890 4.864 50 5 HJBARN O=C(Nc1ccc(F)cc1)c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000001108752 568768555 /nfs/dbraw/zinc/76/85/55/568768555.db2.gz RLJPGJICRQFXTI-UHFFFAOYSA-N 0 0 402.385 4.839 50 5 HJBARN COc1ccc([C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c2ccccc2)cc1 ZINC000001132999 568773273 /nfs/dbraw/zinc/77/32/73/568773273.db2.gz DUGBJYYJNCDOQE-HXUWFJFHSA-N 0 0 406.438 4.773 50 5 aggregator HJBARN CC(=O)Nc1ccccc1C(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001136243 568773500 /nfs/dbraw/zinc/77/35/00/568773500.db2.gz VTWBMVLXKSWUJK-UHFFFAOYSA-N 0 0 406.394 4.703 50 5 HJBARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CSC3)cc1 ZINC000002483557 568775065 /nfs/dbraw/zinc/77/50/65/568775065.db2.gz CCNSLCYKSTUDBN-UHFFFAOYSA-N 0 0 414.874 4.741 50 5 HJBARN COc1ccccc1-c1noc(-c2ccccc2C(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000002879178 568813885 /nfs/dbraw/zinc/81/38/85/568813885.db2.gz HEJBPUNDQSWXQZ-UHFFFAOYSA-N 0 0 416.393 4.573 50 5 HJBARN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])o4)cc3n2)cc1 ZINC000002886470 568814435 /nfs/dbraw/zinc/81/44/35/568814435.db2.gz JCQBHQUPDSDWBK-UHFFFAOYSA-N 0 0 419.441 4.825 50 5 HJBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000001175229 568818897 /nfs/dbraw/zinc/81/88/97/568818897.db2.gz RGELYSTWNNBICT-UHFFFAOYSA-N 0 0 402.385 4.839 50 5 HJBARN Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3)oc2c1 ZINC000001207960 568823383 /nfs/dbraw/zinc/82/33/83/568823383.db2.gz RHTQZEGIAZVIBM-UHFFFAOYSA-N 0 0 403.394 4.729 50 5 HJBARN COc1cc(-c2ncnn2-c2ccc(F)c([N+](=O)[O-])c2)ccc1OCc1ccccc1 ZINC000001208694 568823880 /nfs/dbraw/zinc/82/38/80/568823880.db2.gz TXBYAPBEJHXDKW-UHFFFAOYSA-N 0 0 420.400 4.569 50 5 HJBARN CC[C@@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2C(=O)OC)C1 ZINC000001217430 568824909 /nfs/dbraw/zinc/82/49/09/568824909.db2.gz ROTYBBMLGNVFME-SNVBAGLBSA-N 0 0 422.890 4.864 50 5 HJBARN CC(=O)Oc1ccc(C(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000002982587 568832995 /nfs/dbraw/zinc/83/29/95/568832995.db2.gz ALHJSEWFNUHJTD-UHFFFAOYSA-N 0 0 408.435 4.924 50 5 HJBARN CC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1cccc([N+](=O)[O-])c1 ZINC000006034693 568836083 /nfs/dbraw/zinc/83/60/83/568836083.db2.gz WEGHDQDWHYVHBX-SFQUDFHCSA-N 0 0 416.433 4.766 50 5 HJBARN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)CSc1nc2ccccc2o1 ZINC000003235079 568847581 /nfs/dbraw/zinc/84/75/81/568847581.db2.gz PBOFZTGBURRPSA-UHFFFAOYSA-N 0 0 423.450 4.747 50 5 HJBARN O=[N+]([O-])c1cccc(/C=C2\CCC(C(=S)Nc3ccccc3)=C2N2CCOCC2)c1 ZINC000003203444 568861388 /nfs/dbraw/zinc/86/13/88/568861388.db2.gz QYZKZEBIXKMYPC-OBGWFSINSA-N 0 0 421.522 4.798 50 5 HJBARN O=C(Nc1nc2ccc(C(=O)Nc3ccccc3)cc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000003207472 568861429 /nfs/dbraw/zinc/86/14/29/568861429.db2.gz DMFMWCNWLYDILE-UHFFFAOYSA-N 0 0 418.434 4.709 50 5 HJBARN O=[N+]([O-])c1cc([S@](=O)C(F)(F)F)ccc1Sc1nc2ccccc2s1 ZINC000003310530 568878344 /nfs/dbraw/zinc/87/83/44/568878344.db2.gz XKWQXUYWQUXLHU-RUZDIDTESA-N 0 0 404.416 4.983 50 5 HJBARN CCOC(=O)c1ccc(NC(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000015356985 568879344 /nfs/dbraw/zinc/87/93/44/568879344.db2.gz KVDUKBCSMQERFS-OWBHPGMISA-N 0 0 406.394 4.683 50 5 HJBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000003400330 568894424 /nfs/dbraw/zinc/89/44/24/568894424.db2.gz GWTBIIZBRJLZPB-NRFANRHFSA-N 0 0 407.857 4.991 50 5 HJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1cc(Cl)c(Cl)cc1Cl ZINC000003444155 568904345 /nfs/dbraw/zinc/90/43/45/568904345.db2.gz YDWUJBCULOCUKD-QMMMGPOBSA-N 0 0 419.648 4.970 50 5 HJBARN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(Cl)c1 ZINC000031318658 568922770 /nfs/dbraw/zinc/92/27/70/568922770.db2.gz GNVDAZSPJWCIQZ-UHFFFAOYSA-N 0 0 415.176 4.721 50 5 in-vitro HJBARN COc1cc([N+](=O)[O-])ccc1-c1ccc(C=Cc2cc(C(F)(F)F)nc(=O)[nH]2)o1 ZINC000003833708 568927092 /nfs/dbraw/zinc/92/70/92/568927092.db2.gz SJLFHUJQSJXXOM-DUXPYHPUSA-N 0 0 407.304 4.548 50 5 HJBARN O=C(N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccccc1Cl ZINC000003878710 568928552 /nfs/dbraw/zinc/92/85/52/568928552.db2.gz IDSNVHUZKXZTAA-AWEZNQCLSA-N 0 0 423.083 4.786 50 5 HJBARN COc1cc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 ZINC000004043105 568935783 /nfs/dbraw/zinc/93/57/83/568935783.db2.gz FFRZNXOVIFWBOP-RIYZIHGNSA-N 0 0 404.422 4.834 50 5 HJBARN O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000004173922 568948315 /nfs/dbraw/zinc/94/83/15/568948315.db2.gz FRBDHOGVQPSFBY-UHFFFAOYSA-N 0 0 418.906 4.820 50 5 HJBARN Cc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c(C(C)(C)C)c1 ZINC000004290080 568958797 /nfs/dbraw/zinc/95/87/97/568958797.db2.gz UIQBMHHUGAKHAC-UHFFFAOYSA-N 0 0 421.291 4.981 50 5 HJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000001751279 569051870 /nfs/dbraw/zinc/05/18/70/569051870.db2.gz OOXQBJJJYPSCHK-UHFFFAOYSA-N 0 0 405.621 4.581 50 5 HJBARN Cc1ccc(NS(=O)(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c(C)c1 ZINC000006653319 569082609 /nfs/dbraw/zinc/08/26/09/569082609.db2.gz GOUDWQJDTCZWSA-UHFFFAOYSA-N 0 0 411.483 4.625 50 5 HJBARN CCCN(C)C(=O)c1nn(-c2ccccc2)c(Oc2ccc([N+](=O)[O-])cc2F)c1C ZINC000006777221 569118758 /nfs/dbraw/zinc/11/87/58/569118758.db2.gz DDSOMJXSZSCJEH-UHFFFAOYSA-N 0 0 412.421 4.502 50 5 HJBARN CCc1ccc([C@H]2c3cccn3CCCN2Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000036348094 569144330 /nfs/dbraw/zinc/14/43/30/569144330.db2.gz QFACGZMRLAVWQZ-DEOSSOPVSA-N 0 0 405.498 4.963 50 5 HJBARN O=C(NCc1ccccc1COCc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000036391619 569167144 /nfs/dbraw/zinc/16/71/44/569167144.db2.gz JSDCWVVLIKLCIK-UHFFFAOYSA-N 0 0 410.857 4.895 50 5 HJBARN CCCCn1c(=O)nc2n(-c3ccc(Cl)c(Cl)c3)c3ccccc3cc-2c1=O ZINC000007078488 569218021 /nfs/dbraw/zinc/21/80/21/569218021.db2.gz HOIJKFXMEPIOBD-UHFFFAOYSA-N 0 0 414.292 4.759 50 5 HJBARN CC1(C)[C@H]([N+](=O)[O-])[C@@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@H]1[N+](=O)[O-] ZINC000239433285 569233899 /nfs/dbraw/zinc/23/38/99/569233899.db2.gz XLUWPBDJPCVERE-XMTFNYHQSA-N 0 0 424.284 4.696 50 5 aggregator HJBARN O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002090322 569280368 /nfs/dbraw/zinc/28/03/68/569280368.db2.gz CNKURWZVRUAJTO-UHFFFAOYSA-N 0 0 404.791 4.532 50 5 HJBARN C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000170640367 569282177 /nfs/dbraw/zinc/28/21/77/569282177.db2.gz BDCRASIDTOPLFP-CQSZACIVSA-N 0 0 408.483 4.594 50 5 HJBARN CCCOC(=O)c1ccc(N2COc3ccc4c5ccccc5c(=O)oc4c3C2)cc1 ZINC000002160513 569292001 /nfs/dbraw/zinc/29/20/01/569292001.db2.gz KIEAKIOLYBEAAL-UHFFFAOYSA-N 0 0 415.445 4.870 50 5 biogenic HJBARN CSc1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1[N+](=O)[O-] ZINC000007781378 569309986 /nfs/dbraw/zinc/30/99/86/569309986.db2.gz TZWXQUPLRVAXFZ-FQEVSTJZSA-N 0 0 416.499 4.605 50 5 HJBARN O=c1c2c3nc4ccccc4nc3n(-c3cccc(Cl)c3)c2ncn1-c1ccccc1 ZINC000002252591 569324153 /nfs/dbraw/zinc/32/41/53/569324153.db2.gz GMBDEODGOREZEV-UHFFFAOYSA-N 0 0 423.863 4.926 50 5 HJBARN CCc1ccc(-n2c3ncn(C4CCCC4)c(=O)c3c3nc4ccccc4nc32)cc1 ZINC000002247778 569324478 /nfs/dbraw/zinc/32/44/78/569324478.db2.gz HXFNVIAWTOGGNQ-UHFFFAOYSA-N 0 0 409.493 4.961 50 5 HJBARN COP(=O)(OC)c1nc(-c2ccc([N+](=O)[O-])cc2)oc1N[C@H](C)c1ccccc1 ZINC000027460203 569324772 /nfs/dbraw/zinc/32/47/72/569324772.db2.gz DAAQJWRVTRSFNX-CYBMUJFWSA-N 0 0 417.358 4.534 50 5 HJBARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000019799514 569357344 /nfs/dbraw/zinc/35/73/44/569357344.db2.gz XLCBPMHIXQRPBE-XUZZJYLKSA-N 0 0 413.433 4.656 50 5 HJBARN CN1c2ccccc2C(C)(C)[C@@]12C=Cc1cc(Br)cc([N+](=O)[O-])c1O2 ZINC000002300646 569372052 /nfs/dbraw/zinc/37/20/52/569372052.db2.gz ICAMZMGPBZILLD-IBGZPJMESA-N 0 0 401.260 4.887 50 5 HJBARN CC[C@H](C)n1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccc(F)cc2)c1=O ZINC000002333594 569375192 /nfs/dbraw/zinc/37/51/92/569375192.db2.gz UUAUVRALRXDKDO-ZDUSSCGKSA-N 0 0 401.445 4.702 50 5 HJBARN CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1cc2ccccc2o1 ZINC000009698978 569393919 /nfs/dbraw/zinc/39/39/19/569393919.db2.gz OMSBEBZIDORIAT-UHFFFAOYSA-N 0 0 408.439 4.594 50 5 HJBARN CC[C@H](C)n1c(C)nc2c(c3nc4ccccc4nc3n2-c2cccc(OC)c2)c1=O ZINC000002410380 569396741 /nfs/dbraw/zinc/39/67/41/569396741.db2.gz SXJMNFCCMXPCFE-AWEZNQCLSA-N 0 0 413.481 4.572 50 5 HJBARN CC[C@H](C)n1cnc2c(c3nc4ccccc4nc3n2Cc2ccccc2Cl)c1=O ZINC000002411390 569396861 /nfs/dbraw/zinc/39/68/61/569396861.db2.gz UIYNSNZTJKAXLB-AWEZNQCLSA-N 0 0 417.900 4.967 50 5 HJBARN COc1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000019325861 569417466 /nfs/dbraw/zinc/41/74/66/569417466.db2.gz YCWFQYMLHPGZNW-UHFFFAOYSA-N 0 0 403.482 4.620 50 5 HJBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCCN(C(=S)Nc2ccccc2)CC1 ZINC000008616567 571094443 /nfs/dbraw/zinc/09/44/43/571094443.db2.gz UYRVBECRWRBEOK-UHFFFAOYSA-N 0 0 424.448 4.523 50 5 HJBARN CC(C)Oc1cccc([C@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000040112746 571170799 /nfs/dbraw/zinc/17/07/99/571170799.db2.gz DOLSYIXWEYTKGF-SFHVURJKSA-N 0 0 414.505 4.819 50 5 HJBARN Cc1c(CSc2nnc(-c3cccnc3)n2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000040127342 571179050 /nfs/dbraw/zinc/17/90/50/571179050.db2.gz FUGUPZDOKYOYLT-UHFFFAOYSA-N 0 0 417.494 4.897 50 5 HJBARN CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000040149947 571198518 /nfs/dbraw/zinc/19/85/18/571198518.db2.gz ZXSWFXLWSLGLAR-UHFFFAOYSA-N 0 0 407.474 4.862 50 5 HJBARN O=[N+]([O-])c1cc(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])c(Cl)cc1Cl ZINC000009045075 571215411 /nfs/dbraw/zinc/21/54/11/571215411.db2.gz KTMOFUFLFGYPFU-UHFFFAOYSA-N 0 0 404.553 4.743 50 5 HJBARN C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000009508357 571263920 /nfs/dbraw/zinc/26/39/20/571263920.db2.gz DFZHVESBDQFBGZ-AWEZNQCLSA-N 0 0 423.856 4.992 50 5 HJBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 ZINC000009603440 571273050 /nfs/dbraw/zinc/27/30/50/571273050.db2.gz JPHVJVQUOXQURD-UHFFFAOYSA-N 0 0 422.437 4.680 50 5 HJBARN CCOc1ccc2[nH]c(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)nc2c1 ZINC000009662419 571277690 /nfs/dbraw/zinc/27/76/90/571277690.db2.gz ZZFMDGJQTYHDJW-SNVBAGLBSA-N 0 0 420.878 4.643 50 5 HJBARN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000009899030 571289695 /nfs/dbraw/zinc/28/96/95/571289695.db2.gz MVGPXPYXGPZNLC-IBGZPJMESA-N 0 0 402.472 4.793 50 5 HJBARN Cc1cc(NC(=O)CN2CCC(c3c[nH]c4ccccc43)CC2)c([N+](=O)[O-])cc1C ZINC000010139892 571295410 /nfs/dbraw/zinc/29/54/10/571295410.db2.gz WDZLRZMONWXSQF-UHFFFAOYSA-N 0 0 406.486 4.511 50 5 HJBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000002871331 132258814 /nfs/dbraw/zinc/25/88/14/132258814.db2.gz IGRSPNSGMNWKRG-UHFFFAOYSA-N 0 0 423.391 4.621 50 5 HJBARN O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000004703767 132284044 /nfs/dbraw/zinc/28/40/44/132284044.db2.gz MGSMRLNKOXSJKI-UHFFFAOYSA-N 0 0 417.937 4.503 50 5 HJBARN Cc1ccc2c(Cl)c(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)sc2c1 ZINC000004718560 132285774 /nfs/dbraw/zinc/28/57/74/132285774.db2.gz QKLRGQRCJBEUIX-UHFFFAOYSA-N 0 0 415.902 4.734 50 5 HJBARN Cc1cc2occ(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2cc1C(C)C ZINC000006044187 132308985 /nfs/dbraw/zinc/30/89/85/132308985.db2.gz VEUUXCZLYVEKMH-UHFFFAOYSA-N 0 0 421.497 4.664 50 5 HJBARN O=[N+]([O-])c1c2nonc2ccc1Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000020615346 132470387 /nfs/dbraw/zinc/47/03/87/132470387.db2.gz IASSYVRKKVCMQM-UHFFFAOYSA-N 0 0 407.352 4.884 50 5 HJBARN O=C(c1ccc(Br)s1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000032915665 526664369 /nfs/dbraw/zinc/66/43/69/526664369.db2.gz JTKSPGVWZVWJTQ-UHFFFAOYSA-N 0 0 423.210 4.624 50 5 HJBARN O=C(N[C@H](c1cccs1)C1CCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000032396807 527010488 /nfs/dbraw/zinc/01/04/88/527010488.db2.gz MACBMVQRKYKERZ-NRFANRHFSA-N 0 0 413.543 4.920 50 5 HJBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000043342867 527262241 /nfs/dbraw/zinc/26/22/41/527262241.db2.gz SYLBBVCOPKUOFU-KRWDZBQOSA-N 0 0 417.849 4.779 50 5 HJBARN O=c1c2ccccc2oc2nc(C3CCCCC3)n(CCc3ccccc3)c(=O)c12 ZINC000002209610 557326937 /nfs/dbraw/zinc/32/69/37/557326937.db2.gz HGZOOXDFEBSTNF-UHFFFAOYSA-N 0 0 400.478 4.793 50 5 HJBARN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3cc(C)ccc32)cc1Cl ZINC000006720325 557717082 /nfs/dbraw/zinc/71/70/82/557717082.db2.gz BKQGPAWKVSMNTB-UHFFFAOYSA-N 0 0 406.869 4.764 50 5 HJBARN O=C(Nc1nnc(SCc2cccc(Cl)c2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000004328689 558260587 /nfs/dbraw/zinc/26/05/87/558260587.db2.gz DWZXSQDXVARWQE-UHFFFAOYSA-N 0 0 406.876 4.644 50 5 HJBARN O=C(c1cccs1)[C@@H]1[C@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@H]2C=Cc3ccccc3N21 ZINC000229950576 558462810 /nfs/dbraw/zinc/46/28/10/558462810.db2.gz IVXTXTKDOXPLHH-YJMBLLCNSA-N 0 0 402.475 4.644 50 5 HJBARN Cc1ccc(C2=N/C(=C\C(Br)=C\c3ccccc3)C(=O)O2)cc1[N+](=O)[O-] ZINC000004507970 558622107 /nfs/dbraw/zinc/62/21/07/558622107.db2.gz LHHRBRKVMUUHTF-GNVOFHRKSA-N 0 0 413.227 4.527 50 5 HJBARN O=c1c2ccccc2c(-c2ccccc2)nn1-c1cc(N2CCCC2)ccc1[N+](=O)[O-] ZINC000004561803 558732155 /nfs/dbraw/zinc/73/21/55/558732155.db2.gz VRJWSBSSHSUGAN-UHFFFAOYSA-N 0 0 412.449 4.561 50 5 HJBARN CCOc1ccccc1[C@@H](CC(C)C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000072307333 558767147 /nfs/dbraw/zinc/76/71/47/558767147.db2.gz HXPCBXFKQWYVFP-GOSISDBHSA-N 0 0 406.504 4.596 50 5 HJBARN O=c1c2ccccc2nc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccc(Br)cc1 ZINC000013810213 558884421 /nfs/dbraw/zinc/88/44/21/558884421.db2.gz JQXDRSVUJDHXIG-UHFFFAOYSA-N 0 0 422.238 4.723 50 5 HJBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(OC(F)(F)F)cc1 ZINC000011247184 559007875 /nfs/dbraw/zinc/00/78/75/559007875.db2.gz ARWBANKAAQWZSZ-UHFFFAOYSA-N 0 0 412.367 4.692 50 5 HJBARN Cc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc([N+](=O)[O-])cc3)nc21 ZINC000005264795 559188773 /nfs/dbraw/zinc/18/87/73/559188773.db2.gz OUCDIWBNCSFLFH-UHFFFAOYSA-N 0 0 404.451 4.755 50 5 HJBARN Cc1cccc(Nc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)s2)c1C ZINC000004868538 559193895 /nfs/dbraw/zinc/19/38/95/559193895.db2.gz BQAWFVGZMQQIHU-UHFFFAOYSA-N 0 0 415.500 4.538 50 5 HJBARN O=C(c1ccoc1)N1CCC(Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000024206986 559278189 /nfs/dbraw/zinc/27/81/89/559278189.db2.gz RZKFRZFKYRFCMP-UHFFFAOYSA-N 0 0 417.771 4.577 50 5 HJBARN COc1ccc2c(c1)oc1nc(Cc3ccccc3)n3c4ccccc4nc3c1c2=O ZINC000005209041 560538841 /nfs/dbraw/zinc/53/88/41/560538841.db2.gz RJMPIMCNYKJRKX-UHFFFAOYSA-N 0 0 407.429 4.742 50 5 HJBARN CCCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1ccc(C(C)(C)C)cc1 ZINC000005428988 560586334 /nfs/dbraw/zinc/58/63/34/560586334.db2.gz QXXPEWMFTXAVJX-UHFFFAOYSA-N 0 0 401.510 4.623 50 5 HJBARN CC(=O)Oc1cn(CCc2ccc(Cl)cc2)c2nc(C)n3c4ccccc4nc3c12 ZINC000005454019 560589723 /nfs/dbraw/zinc/58/97/23/560589723.db2.gz JLIHWQOQHSZSOF-UHFFFAOYSA-N 0 0 418.884 4.967 50 5 HJBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(Br)c(Br)s1 ZINC000003279523 560591356 /nfs/dbraw/zinc/59/13/56/560591356.db2.gz GJZGUXDEOMMELH-UHFFFAOYSA-N 0 0 421.066 4.538 50 5 HJBARN O=c1c2ccccc2nc(/C=C/c2ccccn2)n1-c1ccc(Cl)cc1[N+](=O)[O-] ZINC000005477740 560594815 /nfs/dbraw/zinc/59/48/15/560594815.db2.gz OOOWBPBSHSSKCY-PKNBQFBNSA-N 0 0 404.813 4.513 50 5 HJBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2oc3c(c2c1)C[C@H](C)CC3 ZINC000005508715 560600005 /nfs/dbraw/zinc/60/00/05/560600005.db2.gz PRDZMCHCLZXAGL-GFCCVEGCSA-N 0 0 400.456 4.575 50 5 HJBARN O=[N+]([O-])c1ccc2c(c1)/C(=C/c1ccccc1O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 ZINC000100830175 560759462 /nfs/dbraw/zinc/75/94/62/560759462.db2.gz DMXOQQWVRNSNDX-CHHVJCJISA-N 0 0 405.322 4.686 50 5 HJBARN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000102781867 560827380 /nfs/dbraw/zinc/82/73/80/560827380.db2.gz SSGUMIPDUHRVEW-HZPDHXFCSA-N 0 0 413.861 4.540 50 5 HJBARN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(NCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000102781515 560827382 /nfs/dbraw/zinc/82/73/82/560827382.db2.gz RLHFRSPKYISWHH-IRXDYDNUSA-N 0 0 413.861 4.540 50 5 HJBARN O=C(Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)c1cccs1 ZINC000005716365 560840673 /nfs/dbraw/zinc/84/06/73/560840673.db2.gz CGTGREKNLVGMAU-UHFFFAOYSA-N 0 0 401.831 4.814 50 5 HJBARN CCSc1nnc2c(n1)O[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1-2 ZINC000000688782 568461304 /nfs/dbraw/zinc/46/13/04/568461304.db2.gz CVPBXSWNKJGGTK-MRXNPFEDSA-N 0 0 415.862 4.715 50 5 HJBARN Cc1cc(C(=O)Nc2ccc3nn(-c4cccc(Cl)c4)nc3c2)ccc1[N+](=O)[O-] ZINC000000830152 568503715 /nfs/dbraw/zinc/50/37/15/568503715.db2.gz ZOXLYRBSKIBEBM-UHFFFAOYSA-N 0 0 407.817 4.543 50 5 HJBARN O=C(N[C@@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000000837036 568515046 /nfs/dbraw/zinc/51/50/46/568515046.db2.gz HZKWOYBWWXVNLK-CQSZACIVSA-N 0 0 423.083 4.786 50 5 HJBARN O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccccc1[N+](=O)[O-] ZINC000000848274 568552717 /nfs/dbraw/zinc/55/27/17/568552717.db2.gz LXDHVQNCFRAIGN-UHFFFAOYSA-N 0 0 407.373 4.913 50 5 HJBARN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)cc1 ZINC000000841490 568612545 /nfs/dbraw/zinc/61/25/45/568612545.db2.gz CQWGUWOYBQISQO-UHFFFAOYSA-N 0 0 407.426 4.990 50 5 HJBARN CC(C)Oc1ccccc1NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000000858944 568713490 /nfs/dbraw/zinc/71/34/90/568713490.db2.gz DHQBBVQXGNZWJS-UHFFFAOYSA-N 0 0 403.485 4.723 50 5 HJBARN CC[C@H](C)[C@@H](NC(=O)c1ccccc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277039 568715777 /nfs/dbraw/zinc/71/57/77/568715777.db2.gz DEZLBQZVUYUEKE-YVEFUNNKSA-N 0 0 414.849 4.815 50 5 HJBARN Cc1cc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000021676317 568736852 /nfs/dbraw/zinc/73/68/52/568736852.db2.gz IOPXWURIFNWSOJ-UHFFFAOYSA-N 0 0 405.241 4.707 50 5 HJBARN Cc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000015034267 568747019 /nfs/dbraw/zinc/74/70/19/568747019.db2.gz CDVPVAKSILVZFJ-QFIPXVFZSA-N 0 0 407.495 4.551 50 5 HJBARN O=C(c1cccs1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000994293 568760889 /nfs/dbraw/zinc/76/08/89/568760889.db2.gz CAOHNKFTTSHVCP-OAQYLSRUSA-N 0 0 403.463 4.926 50 5 HJBARN Cc1ccc(C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cc1[N+](=O)[O-] ZINC000001062133 568766026 /nfs/dbraw/zinc/76/60/26/568766026.db2.gz ROOBUBJWYAJIER-UHFFFAOYSA-N 0 0 414.849 4.657 50 5 HJBARN Cc1ccc(C(=O)COc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1C ZINC000001109150 568768780 /nfs/dbraw/zinc/76/87/80/568768780.db2.gz ISBNAWDJIKUSFY-UHFFFAOYSA-N 0 0 404.422 4.726 50 5 HJBARN Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@@]3(C)C2=O)cc1[N+](=O)[O-] ZINC000001116950 568770762 /nfs/dbraw/zinc/77/07/62/568770762.db2.gz CKMXCPOHWRRDDI-KCRWFKQWSA-N 0 0 424.456 4.690 50 5 HJBARN COc1ccc([N+](=O)[O-])cc1COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 ZINC000001143003 568772250 /nfs/dbraw/zinc/77/22/50/568772250.db2.gz WGKVGJSAFHAXGD-UHFFFAOYSA-N 0 0 415.829 4.821 50 5 HJBARN Cc1c(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000001147884 568772664 /nfs/dbraw/zinc/77/26/64/568772664.db2.gz WHJONPIHEPISJS-MRXNPFEDSA-N 0 0 403.438 4.647 50 5 HJBARN CCCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCCCC2 ZINC000002729582 568802915 /nfs/dbraw/zinc/80/29/15/568802915.db2.gz WZOSCDZZFFKSBS-UHFFFAOYSA-N 0 0 402.472 4.744 50 5 HJBARN O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)N(C1CCCCC1)C1CCCCC1 ZINC000002775065 568807921 /nfs/dbraw/zinc/80/79/21/568807921.db2.gz GCRJFVLLOXJSDV-UHFFFAOYSA-N 0 0 400.479 4.540 50 5 HJBARN Cc1cc(Cl)ccc1O[C@@H](C)c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000002845055 568812798 /nfs/dbraw/zinc/81/27/98/568812798.db2.gz LVXMFAWSJKXYII-NSHDSACASA-N 0 0 418.862 4.800 50 5 HJBARN COC(=O)c1cc(C(=O)Nc2ccccc2Sc2ccccc2)cc([N+](=O)[O-])c1 ZINC000002876177 568813940 /nfs/dbraw/zinc/81/39/40/568813940.db2.gz UOWBAJLZTYUQEQ-UHFFFAOYSA-N 0 0 408.435 4.785 50 5 HJBARN Cc1ccc(-c2nc3cc(NC(=O)COc4ccccc4[N+](=O)[O-])ccc3o2)cc1 ZINC000001205046 568823555 /nfs/dbraw/zinc/82/35/55/568823555.db2.gz SRENKJUTSVSOJN-UHFFFAOYSA-N 0 0 403.394 4.729 50 5 HJBARN Cc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3n2)cc1 ZINC000001215401 568824808 /nfs/dbraw/zinc/82/48/08/568824808.db2.gz QSICZFXTVUSQFP-UHFFFAOYSA-N 0 0 407.817 4.543 50 5 HJBARN Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2C=C2SC(=S)NC2=O)cc1 ZINC000002958940 568828962 /nfs/dbraw/zinc/82/89/62/568828962.db2.gz QKMXOUIYSCWMDZ-GZTJUZNOSA-N 0 0 416.480 4.690 50 5 HJBARN CC[C@H](C(=O)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1ccccc1 ZINC000003008083 568836815 /nfs/dbraw/zinc/83/68/15/568836815.db2.gz CNVUOLGWCXKUGQ-KRWDZBQOSA-N 0 0 408.483 4.660 50 5 HJBARN C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc2c(c1)CCCC2 ZINC000012542713 568848970 /nfs/dbraw/zinc/84/89/70/568848970.db2.gz OLIFBXTUIYPYHF-GOSISDBHSA-N 0 0 410.517 4.911 50 5 HJBARN O=C(N[C@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000003118672 568856110 /nfs/dbraw/zinc/85/61/10/568856110.db2.gz GOZVLRUESXBNRV-AWEZNQCLSA-N 0 0 423.083 4.786 50 5 HJBARN Cc1cc(OC(=O)c2ccccc2Cl)c(Sc2ccc([N+](=O)[O-])cc2)c(=O)o1 ZINC000003206270 568861622 /nfs/dbraw/zinc/86/16/22/568861622.db2.gz KEGNGUVRIRLILY-UHFFFAOYSA-N 0 0 417.826 4.880 50 5 HJBARN O=C(Nc1ccccc1)C(=Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000003244781 568866942 /nfs/dbraw/zinc/86/69/42/568866942.db2.gz HVCDAHNEMNVDAR-UHFFFAOYSA-N 0 0 421.840 4.909 50 5 HJBARN O=C(c1ccccc1)c1ccc(Nc2ccc(N3CCC(O)CC3)cc2)c([N+](=O)[O-])c1 ZINC000057929462 568867742 /nfs/dbraw/zinc/86/77/42/568867742.db2.gz ZSQUBCNEDVSNCF-UHFFFAOYSA-N 0 0 417.465 4.531 50 5 HJBARN Cc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3Cl)s2)cc1[N+](=O)[O-] ZINC000004079081 568882934 /nfs/dbraw/zinc/88/29/34/568882934.db2.gz YFGWJJCTJNCLRD-UHFFFAOYSA-N 0 0 409.254 4.981 50 5 HJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cs1 ZINC000003453922 568906184 /nfs/dbraw/zinc/90/61/84/568906184.db2.gz NGZZLWGLXSOTII-LBPRGKRZSA-N 0 0 415.496 4.846 50 5 HJBARN CCc1ccc([C@H]2N[C@@H](c3ccc(CC)cc3)[C@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])cc1 ZINC000217940943 568920338 /nfs/dbraw/zinc/92/03/38/568920338.db2.gz JTRXAGQKEBNGGS-COPRSSIGSA-N 0 0 411.502 4.514 50 5 aggregator HJBARN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2NCCc2ccccc2)cc1 ZINC000004014468 568933606 /nfs/dbraw/zinc/93/36/06/568933606.db2.gz MLPFVXAJLKMIJI-UHFFFAOYSA-N 0 0 420.425 4.718 50 5 HJBARN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000004031667 568934646 /nfs/dbraw/zinc/93/46/46/568934646.db2.gz QRBQEGWRVHHRPL-UHFFFAOYSA-N 0 0 403.419 4.688 50 5 HJBARN Cc1ccc2c(c1)c1c3n2CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H]3CCC1 ZINC000001425371 568936465 /nfs/dbraw/zinc/93/64/65/568936465.db2.gz OWHYNVCLWZBERX-QWDXWUACSA-N 0 0 401.466 4.791 50 5 HJBARN COC(=O)[C@](F)(c1cc(Cl)ccc1OC)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000001423364 568938310 /nfs/dbraw/zinc/93/83/10/568938310.db2.gz NRAVOLAZWNNNQP-MRXNPFEDSA-N 0 0 421.730 4.662 50 5 HJBARN Cc1cc(NC(=O)c2ccc(Br)cc2)nc2c3ccccc3oc(=O)c12 ZINC000004108190 568943775 /nfs/dbraw/zinc/94/37/75/568943775.db2.gz NBFCZYKOYUACNZ-UHFFFAOYSA-N 0 0 409.239 4.664 50 5 HJBARN Cc1cccc2sc(N(Cc3cccnc3)C(=O)c3cccc([N+](=O)[O-])c3)nc21 ZINC000004273213 568957704 /nfs/dbraw/zinc/95/77/04/568957704.db2.gz YCHLLIMDNNKNGT-UHFFFAOYSA-N 0 0 404.451 4.755 50 5 HJBARN Cc1ccc(-c2csc(Sc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])n2)cc1 ZINC000008120128 568974608 /nfs/dbraw/zinc/97/46/08/568974608.db2.gz XDVWMWNSMSGWSV-UHFFFAOYSA-N 0 0 406.510 4.581 50 5 HJBARN Cc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1[N+](=O)[O-] ZINC000012900732 569020711 /nfs/dbraw/zinc/02/07/11/569020711.db2.gz PNYOEYJUXQWRHU-UHFFFAOYSA-N 0 0 405.414 4.741 50 5 HJBARN Cc1cc([N+](=O)[O-])c(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1C ZINC000016268006 569030355 /nfs/dbraw/zinc/03/03/55/569030355.db2.gz RFWMRHMWILQRIA-SNDHGLFQSA-N 0 0 424.456 4.608 50 5 HJBARN O=C(Nc1nn(Cc2c(F)cccc2Cl)cc1Cl)Nc1ccc([N+](=O)[O-])cc1 ZINC000016346326 569031677 /nfs/dbraw/zinc/03/16/77/569031677.db2.gz OXWUEPNOYDBZPY-UHFFFAOYSA-N 0 0 424.219 4.930 50 5 HJBARN CCCOc1ccc(/C=C/C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1OC ZINC000001777511 569052386 /nfs/dbraw/zinc/05/23/86/569052386.db2.gz RZXHDNIQDLXRNA-WEVVVXLNSA-N 0 0 413.455 4.654 50 5 HJBARN CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)c1cccs1 ZINC000001904234 569057328 /nfs/dbraw/zinc/05/73/28/569057328.db2.gz RRABKTHWIWZNDJ-UHFFFAOYSA-N 0 0 402.453 4.814 50 5 HJBARN Cc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000036247136 569116957 /nfs/dbraw/zinc/11/69/57/569116957.db2.gz DFUYGKDCKOYAQW-UHFFFAOYSA-N 0 0 418.421 4.577 50 5 HJBARN Cc1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000036247416 569117002 /nfs/dbraw/zinc/11/70/02/569117002.db2.gz BBWHRQRQTUIUDS-UHFFFAOYSA-N 0 0 416.886 4.952 50 5 HJBARN COc1ccc([N+](=O)[O-])cc1CN1CCCn2cccc2[C@H]1c1ccc(F)c(F)c1 ZINC000036348670 569144591 /nfs/dbraw/zinc/14/45/91/569144591.db2.gz DUUZJERVEQZHBQ-JOCHJYFZSA-N 0 0 413.424 4.678 50 5 HJBARN C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006840913 569151597 /nfs/dbraw/zinc/15/15/97/569151597.db2.gz VXUPUKNXWNSMJJ-JTQLQIEISA-N 0 0 407.304 4.582 50 5 HJBARN O=C(COc1ccccc1[N+](=O)[O-])N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000006840991 569152023 /nfs/dbraw/zinc/15/20/23/569152023.db2.gz QVMLXDFEEBZWAG-IBGZPJMESA-N 0 0 406.463 4.854 50 5 HJBARN O=C(COc1ccccc1[N+](=O)[O-])N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000006840994 569152033 /nfs/dbraw/zinc/15/20/33/569152033.db2.gz 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Cc1nc2c(c3nc4ccccc4nc3n2-c2ccccc2F)c(=O)n1CCC(C)C ZINC000002329046 569375624 /nfs/dbraw/zinc/37/56/24/569375624.db2.gz HOPLWDBVPZGILZ-UHFFFAOYSA-N 0 0 415.472 4.777 50 5 HJBARN O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000008997690 569391105 /nfs/dbraw/zinc/39/11/05/569391105.db2.gz YKHOHHUPTQJFCO-UHFFFAOYSA-N 0 0 422.491 4.879 50 5 HJBARN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Oc2ccc(OCc3ccccc3)cc2)c1 ZINC000009030224 569391255 /nfs/dbraw/zinc/39/12/55/569391255.db2.gz QDTBOMZLUMDEJE-UHFFFAOYSA-N 0 0 419.842 4.595 50 5 HJBARN COc1ccc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)c([N+](=O)[O-])c1 ZINC000009281580 569392126 /nfs/dbraw/zinc/39/21/26/569392126.db2.gz NPFSKWWCZJQXIW-UHFFFAOYSA-N 0 0 416.389 4.629 50 5 HJBARN CC(C)(C)c1ccc(CN(C(=O)COc2ccccc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000027749734 569392878 /nfs/dbraw/zinc/39/28/78/569392878.db2.gz FNRJEPHIYWIOSB-UHFFFAOYSA-N 0 0 419.481 4.900 50 5 HJBARN Cc1ccc(C)c(-n2c3nc4ccccc4nc3c3c2ncn(CCC(C)C)c3=O)c1 ZINC000002401279 569395579 /nfs/dbraw/zinc/39/55/79/569395579.db2.gz LOZRMNLCDGAZOO-UHFFFAOYSA-N 0 0 411.509 4.947 50 5 HJBARN CCCCOc1ccc(-c2nc(NC(=O)CC)c3c(=O)oc4ccccc4c3n2)cc1 ZINC000002452561 569405379 /nfs/dbraw/zinc/40/53/79/569405379.db2.gz ULGSCGKFDIXZNJ-UHFFFAOYSA-N 0 0 417.465 4.931 50 5 HJBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012973215 569405510 /nfs/dbraw/zinc/40/55/10/569405510.db2.gz VFYGWLTTWQKYOE-GFCCVEGCSA-N 0 0 401.875 4.878 50 5 HJBARN CCc1cc(N[C@@H](c2nc(C3CC3)no2)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000079063764 569426341 /nfs/dbraw/zinc/42/63/41/569426341.db2.gz WKDUMTJYZZPCNI-GOSISDBHSA-N 0 0 408.462 4.684 50 5 HJBARN C[C@H](Cc1ccc(Cl)cc1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000040112170 571170194 /nfs/dbraw/zinc/17/01/94/571170194.db2.gz OTMKVRRHLFPBTD-MRXNPFEDSA-N 0 0 404.897 4.556 50 5 HJBARN Cc1c(CSc2nc3ccccc3c(=O)n2Cc2ccco2)cccc1[N+](=O)[O-] ZINC000040122979 571178746 /nfs/dbraw/zinc/17/87/46/571178746.db2.gz QVMGNPGJDBAJQK-UHFFFAOYSA-N 0 0 407.451 4.547 50 5 HJBARN O=[N+]([O-])c1cccc(OCCSc2nnc(-c3cccc(Br)c3)o2)c1 ZINC000040127664 571179189 /nfs/dbraw/zinc/17/91/89/571179189.db2.gz OOZVXOVAUJOWCW-UHFFFAOYSA-N 0 0 422.260 4.578 50 5 HJBARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(NCCCc4ccccc4)c([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000245343694 571226298 /nfs/dbraw/zinc/22/62/98/571226298.db2.gz WPWBTOOPKSENPW-UXPWSPDFSA-N 0 0 421.497 4.565 50 5 HJBARN CCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1[nH]c2ccccc2c1Br ZINC000069415713 571227718 /nfs/dbraw/zinc/22/77/18/571227718.db2.gz HRWIGEANFBVQFX-UHFFFAOYSA-N 0 0 402.248 4.501 50 5 HJBARN O=C(Nc1ccc2c(c1)oc1ccccc12)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000004759878 132288144 /nfs/dbraw/zinc/28/81/44/132288144.db2.gz KYFAVMCNCWVHGH-UHFFFAOYSA-N 0 0 417.421 4.583 50 5 HJBARN O=[N+]([O-])c1ccc(N2CCN(c3nc(-c4ccc(Cl)cc4)cs3)CC2)cc1 ZINC000004844538 132290590 /nfs/dbraw/zinc/29/05/90/132290590.db2.gz NFKOENQZYCIUKO-UHFFFAOYSA-N 0 0 400.891 4.698 50 5 HJBARN O=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N(Cc1ccccc1)c1ccccn1 ZINC000004873281 132291124 /nfs/dbraw/zinc/29/11/24/132291124.db2.gz GRQLVSHGQVCTGY-UHFFFAOYSA-N 0 0 416.481 4.827 50 5 HJBARN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC000004983072 132297576 /nfs/dbraw/zinc/29/75/76/132297576.db2.gz FGEIEHPQNIQPJU-VXGBXAGGSA-N 0 0 409.269 4.746 50 5 HJBARN O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000008986599 132334514 /nfs/dbraw/zinc/33/45/14/132334514.db2.gz BSJHFNMJCZVOQV-UHFFFAOYSA-N 0 0 414.676 4.517 50 5 HJBARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000012516884 132361469 /nfs/dbraw/zinc/36/14/69/132361469.db2.gz LDIINWFWJHRODZ-UHFFFAOYSA-N 0 0 422.312 4.777 50 5 HJBARN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000032900467 526515435 /nfs/dbraw/zinc/51/54/35/526515435.db2.gz OBAOYDNKDNJXPI-SFHVURJKSA-N 0 0 410.499 4.760 50 5 HJBARN O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000009671219 527502565 /nfs/dbraw/zinc/50/25/65/527502565.db2.gz SCJGVIJNMLXWFN-UHFFFAOYSA-N 0 0 423.498 4.746 50 5 HJBARN Cc1ccc(NC(=O)CSc2ccc(-c3cccc([N+](=O)[O-])c3)nn2)cc1Cl ZINC000004355833 558443252 /nfs/dbraw/zinc/44/32/52/558443252.db2.gz CMNGEJHWKMMBCJ-UHFFFAOYSA-N 0 0 414.874 4.744 50 5 HJBARN Cc1ccsc1/C=C/c1ccnc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000004365979 558458072 /nfs/dbraw/zinc/45/80/72/558458072.db2.gz UPPIQNSXSCDWMD-DUXPYHPUSA-N 0 0 400.441 4.985 50 5 HJBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000010904803 558551087 /nfs/dbraw/zinc/55/10/87/558551087.db2.gz ZTOQINLOSUKFQU-UHFFFAOYSA-N 0 0 417.824 4.634 50 5 HJBARN Cc1cc(C(F)F)nc2sc3c(ncn4nc(COc5ccc(F)cc5)nc34)c21 ZINC000013644085 558556186 /nfs/dbraw/zinc/55/61/86/558556186.db2.gz KHIWKCLRGXCOAO-UHFFFAOYSA-N 0 0 415.400 4.851 50 5 HJBARN O=C(NCCNc1ccc(Cl)cc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000004507044 558618461 /nfs/dbraw/zinc/61/84/61/558618461.db2.gz JOXPBNNORCXOHY-UHFFFAOYSA-N 0 0 409.873 4.608 50 5 HJBARN Cc1cc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)ccc1[N+](=O)[O-] ZINC000004576679 558751813 /nfs/dbraw/zinc/75/18/13/558751813.db2.gz SGKSLASRVCSALE-UHFFFAOYSA-N 0 0 402.472 4.661 50 5 HJBARN O=C(C=Cc1ccccc1)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000013857184 558886424 /nfs/dbraw/zinc/88/64/24/558886424.db2.gz QXZDBLYXZWJRIJ-GIDUJCDVSA-N 0 0 403.390 4.826 50 5 HJBARN CC(C)OC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@H](C)C2 ZINC000004646553 558957580 /nfs/dbraw/zinc/95/75/80/558957580.db2.gz BDUFUQIAYRITOM-LBPRGKRZSA-N 0 0 402.472 4.599 50 5 HJBARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000023053449 558994205 /nfs/dbraw/zinc/99/42/05/558994205.db2.gz QETKLLFJKNSYIX-UHFFFAOYSA-N 0 0 414.849 4.659 50 5 HJBARN O=C(Cc1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000004810967 559068758 /nfs/dbraw/zinc/06/87/58/559068758.db2.gz IBKHTOQBXTZNDP-UHFFFAOYSA-N 0 0 409.829 4.682 50 5 HJBARN Cc1ccc(C2=NC(C)(C)N(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C2=S)cc1 ZINC000004892173 559198662 /nfs/dbraw/zinc/19/86/62/559198662.db2.gz XNUUCLIAHQNCHC-UHFFFAOYSA-N 0 0 401.875 4.565 50 5 HJBARN Cc1ccc(NC(=O)CCC(=O)OCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000004953061 559215644 /nfs/dbraw/zinc/21/56/44/559215644.db2.gz FNMVTOCRTVNFFV-UHFFFAOYSA-N 0 0 411.241 4.672 50 5 HJBARN O=C1C(Nc2ccc(F)cc2)=C[C@H](c2ccccc2[N+](=O)[O-])N1c1ccc(F)cc1 ZINC000100561549 559226256 /nfs/dbraw/zinc/22/62/56/559226256.db2.gz OOUIFPMEACLQLW-OAQYLSRUSA-N 0 0 407.376 4.957 50 5 HJBARN C[C@@H](OC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005017911 559228698 /nfs/dbraw/zinc/22/86/98/559228698.db2.gz PZVKONIXWZABGQ-GFCCVEGCSA-N 0 0 404.850 4.730 50 5 HJBARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])o2)cc1 ZINC000005065446 559239405 /nfs/dbraw/zinc/23/94/05/559239405.db2.gz LAMCYQSGMKEPAI-UHFFFAOYSA-N 0 0 412.471 4.673 50 5 HJBARN COc1ccc(C)cc1NC(=O)[C@H](Oc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000005170098 559287494 /nfs/dbraw/zinc/28/74/94/559287494.db2.gz YJMUTOFARQQRQG-OAQYLSRUSA-N 0 0 410.401 4.810 50 5 HJBARN CCOc1ccc2[nH]c(S[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)nc2c1 ZINC000005184844 559290533 /nfs/dbraw/zinc/29/05/33/559290533.db2.gz UMBFHYGQEKMXII-LLVKDONJSA-N 0 0 411.443 4.773 50 5 HJBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccn1)c1nc2c(cccc2F)s1 ZINC000005264932 560553362 /nfs/dbraw/zinc/55/33/62/560553362.db2.gz HRRXAHLETOWWHI-UHFFFAOYSA-N 0 0 408.414 4.586 50 5 HJBARN Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(Cl)c12 ZINC000005313692 560564395 /nfs/dbraw/zinc/56/43/95/560564395.db2.gz XVDNOADBVVAPFJ-UHFFFAOYSA-N 0 0 407.817 4.543 50 5 HJBARN COc1ccc(CN2COc3c(C)c4oc(=O)c5ccccc5c4cc3C2)c(OC)c1 ZINC000061997692 560565110 /nfs/dbraw/zinc/56/51/10/560565110.db2.gz CBMDGOSGERCQSI-UHFFFAOYSA-N 0 0 417.461 4.624 50 5 biogenic HJBARN COc1ccc(NC(=O)c2ccccc2Br)c2nc3ccccc3nc12 ZINC000005447224 560589002 /nfs/dbraw/zinc/58/90/02/560589002.db2.gz PZQIGLMODKEEJX-UHFFFAOYSA-N 0 0 408.255 4.806 50 5 HJBARN Cc1c(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@H](C)C3)cccc1[N+](=O)[O-] ZINC000005532780 560606155 /nfs/dbraw/zinc/60/61/55/560606155.db2.gz PAKNFWNLFXKJQQ-LBPRGKRZSA-N 0 0 416.499 4.907 50 5 HJBARN Cc1c(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@@H](C)C3)cccc1[N+](=O)[O-] ZINC000005532772 560606170 /nfs/dbraw/zinc/60/61/70/560606170.db2.gz PAKNFWNLFXKJQQ-GFCCVEGCSA-N 0 0 416.499 4.907 50 5 HJBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000005557412 560613499 /nfs/dbraw/zinc/61/34/99/560613499.db2.gz KAGUVRAOGNLQRD-UHFFFAOYSA-N 0 0 404.357 4.703 50 5 HJBARN CCOC(=O)c1c(NC(=S)Nc2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 ZINC000004867605 560614289 /nfs/dbraw/zinc/61/42/89/560614289.db2.gz YFGWRUBKLGNWGS-UHFFFAOYSA-N 0 0 405.501 4.521 50 5 HJBARN CS(=O)(=O)c1ccc(NCCC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000005688371 560784109 /nfs/dbraw/zinc/78/41/09/560784109.db2.gz KMSAGMBWAXVCPK-UHFFFAOYSA-N 0 0 410.495 4.632 50 5 HJBARN Cc1cccc2c(=O)c(-c3ccccc3)c(NC(=O)c3cccc([N+](=O)[O-])c3)oc12 ZINC000101388911 560793970 /nfs/dbraw/zinc/79/39/70/560793970.db2.gz MBRPMLDLGQVZHN-UHFFFAOYSA-N 0 0 400.390 4.929 50 5 HJBARN C[C@H](NC(=O)c1cccc(Cn2cc([N+](=O)[O-])cn2)c1)c1ccc(C(C)(C)C)cc1 ZINC000000653164 568457594 /nfs/dbraw/zinc/45/75/94/568457594.db2.gz QGXURXVGPIJLIT-INIZCTEOSA-N 0 0 406.486 4.628 50 5 HJBARN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Oc2nncc3ccccc32)cc1 ZINC000095467318 568624684 /nfs/dbraw/zinc/62/46/84/568624684.db2.gz HMUKIBRJDMTKFS-UHFFFAOYSA-N 0 0 400.394 4.891 50 5 HJBARN Cc1cccc(N2C(=O)c3cccc4c(Br)c([N+](=O)[O-])cc(c43)C2=O)c1 ZINC000095470770 568626206 /nfs/dbraw/zinc/62/62/06/568626206.db2.gz JFLPDFTWLHWYKG-UHFFFAOYSA-N 0 0 411.211 4.620 50 5 HJBARN Cc1ccccc1N1C(=O)c2cccc3c(Br)c([N+](=O)[O-])cc(c32)C1=O ZINC000095470762 568626221 /nfs/dbraw/zinc/62/62/21/568626221.db2.gz LAPXXHLSXYEOJP-UHFFFAOYSA-N 0 0 411.211 4.620 50 5 HJBARN O=C(Nc1c2nsnc2ccc1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000020808443 568644273 /nfs/dbraw/zinc/64/42/73/568644273.db2.gz CIUYVQJWKKLWLR-UHFFFAOYSA-N 0 0 400.803 4.765 50 5 HJBARN CC(=O)N1N=C(c2ccc(Cl)cc2Cl)O[C@@H]1c1ccc([N+](=O)[O-])cc1Cl ZINC000021091890 568664253 /nfs/dbraw/zinc/66/42/53/568664253.db2.gz SSRUVKYEUGPJPD-MRXNPFEDSA-N 0 0 414.632 4.794 50 5 HJBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccccc1C(F)(F)F ZINC000000858946 568713419 /nfs/dbraw/zinc/71/34/19/568713419.db2.gz DEPVHGLRSOPTEG-UHFFFAOYSA-N 0 0 413.402 4.954 50 5 HJBARN CC[C@H](C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096276019 568714739 /nfs/dbraw/zinc/71/47/39/568714739.db2.gz CGTMSSSFRKEVCU-SJCJKPOMSA-N 0 0 414.849 4.815 50 5 HJBARN CC(C)(C)CC(=O)N(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCCC1 ZINC000096277901 568716357 /nfs/dbraw/zinc/71/63/57/568716357.db2.gz AQMVXASEGDHZNJ-UHFFFAOYSA-N 0 0 414.506 4.785 50 5 HJBARN CN(Cc1ccsc1)C(=O)CSc1nc2ccccc2c2nc3ccccc3n21 ZINC000018951572 568744620 /nfs/dbraw/zinc/74/46/20/568744620.db2.gz OYVSTWBYQFVQOD-UHFFFAOYSA-N 0 0 418.547 4.848 50 5 HJBARN O=C(N[C@@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000000971149 568758855 /nfs/dbraw/zinc/75/88/55/568758855.db2.gz VSEPRBXOLWFQGM-CQSZACIVSA-N 0 0 423.083 4.786 50 5 HJBARN Cc1cc(C(=O)Nc2cnn(Cc3ccc(Cl)c(Cl)c3)c2)ccc1[N+](=O)[O-] ZINC000000999890 568761154 /nfs/dbraw/zinc/76/11/54/568761154.db2.gz PKUUECNZECXSEO-UHFFFAOYSA-N 0 0 405.241 4.707 50 5 HJBARN COc1ccc([C@@H](C[N+](=O)[O-])c2c3ccccc3n(O)c2-c2ccccc2)c(OC)c1 ZINC000001016379 568762934 /nfs/dbraw/zinc/76/29/34/568762934.db2.gz HPXCRAQSFQKFNS-HXUWFJFHSA-N 0 0 418.449 4.971 50 5 HJBARN COc1ccc(C(=O)[C@H](C)Oc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000001109035 568768753 /nfs/dbraw/zinc/76/87/53/568768753.db2.gz CQGLKNHJTMBQME-HNNXBMFYSA-N 0 0 420.421 4.506 50 5 HJBARN Cc1ccc(C(=O)[C@@H](C)Oc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 ZINC000001110499 568770348 /nfs/dbraw/zinc/77/03/48/568770348.db2.gz STQVTICGNBQXRN-MRXNPFEDSA-N 0 0 404.422 4.806 50 5 HJBARN CCc1cccc2c(=O)cc(C(C)C)n(Cc3cc([N+](=O)[O-])cc4c3OCOC4)c12 ZINC000225655315 568778075 /nfs/dbraw/zinc/77/80/75/568778075.db2.gz REJZWYWOVIDVKS-UHFFFAOYSA-N 0 0 408.454 4.510 50 5 HJBARN O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000002638019 568792829 /nfs/dbraw/zinc/79/28/29/568792829.db2.gz HQYVPOYVHAYNDK-UHFFFAOYSA-N 0 0 423.808 4.519 50 5 HJBARN O=C(Nc1ccc(Cl)cc1C(=O)Nc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000002764573 568807558 /nfs/dbraw/zinc/80/75/58/568807558.db2.gz DWJNCLZGZGYCQM-UHFFFAOYSA-N 0 0 413.792 4.892 50 5 HJBARN Cc1ccccc1OCc1nnc(SCc2c(Cl)cccc2[N+](=O)[O-])n1C ZINC000002836560 568812591 /nfs/dbraw/zinc/81/25/91/568812591.db2.gz OLJVEWBAIPYATE-UHFFFAOYSA-N 0 0 404.879 4.556 50 5 HJBARN Cc1nc2cc(N[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)ccc2o1 ZINC000028911222 568813153 /nfs/dbraw/zinc/81/31/53/568813153.db2.gz UTRIHWGCXCFAAQ-SECBINFHSA-N 0 0 408.336 4.502 50 5 HJBARN O=c1c2sccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1CCc1ccccc1 ZINC000002909115 568815431 /nfs/dbraw/zinc/81/54/31/568815431.db2.gz WHVPSQHOIAMNLW-UHFFFAOYSA-N 0 0 423.519 4.901 50 5 HJBARN Cc1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cccc1-c1nc2ncccc2o1 ZINC000001206830 568823219 /nfs/dbraw/zinc/82/32/19/568823219.db2.gz ZNMAMEQFEHVXCT-ZHACJKMWSA-N 0 0 400.394 4.758 50 5 HJBARN CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CC[C@@H](CC)C2 ZINC000001217684 568824956 /nfs/dbraw/zinc/82/49/56/568824956.db2.gz NICMLZZPKWLCHF-GFCCVEGCSA-N 0 0 402.472 4.600 50 5 HJBARN CC[C@@H](C)[C@H]1N=C2c3ccccc3N=C(SCc3ccc([N+](=O)[O-])cc3)N2C1=O ZINC000002964578 568830736 /nfs/dbraw/zinc/83/07/36/568830736.db2.gz AJCCIHWETJSUPB-FZKQIMNGSA-N 0 0 408.483 4.533 50 5 HJBARN CCn1c2ccccc2c(C(=O)COc2cccnc2[N+](=O)[O-])c1-c1ccccc1 ZINC000005970946 568833225 /nfs/dbraw/zinc/83/32/25/568833225.db2.gz UAEQNUDPDTVTNJ-UHFFFAOYSA-N 0 0 401.422 4.893 50 5 HJBARN COc1c(COc2ccccc2[N+](=O)[O-])cc(C)cc1COc1ccccc1[N+](=O)[O-] ZINC000002990472 568835993 /nfs/dbraw/zinc/83/59/93/568835993.db2.gz MAQPHRKITFLTIP-UHFFFAOYSA-N 0 0 424.409 4.978 50 5 HJBARN C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(OC(F)F)cc1 ZINC000012528037 568843810 /nfs/dbraw/zinc/84/38/10/568843810.db2.gz WKPBGTMYJZBULI-OAHLLOKOSA-N 0 0 422.431 4.634 50 5 HJBARN Cc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)cc1[N+](=O)[O-] ZINC000003068813 568852653 /nfs/dbraw/zinc/85/26/53/568852653.db2.gz VXGQZOFAZVDMNV-UHFFFAOYSA-N 0 0 400.390 4.929 50 5 HJBARN CCC(=O)Nc1nc(-c2ccc(Br)cc2)nc2c3ccccc3oc(=O)c12 ZINC000003620383 568864845 /nfs/dbraw/zinc/86/48/45/568864845.db2.gz OGCRTLUYUAFXQQ-UHFFFAOYSA-N 0 0 424.254 4.514 50 5 HJBARN O=[N+]([O-])c1cccnc1N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000030520446 568869016 /nfs/dbraw/zinc/86/90/16/568869016.db2.gz BJVASVJEGJGPCT-UHFFFAOYSA-N 0 0 414.918 4.694 50 5 HJBARN COc1ccc(-c2cc3ccccn3c2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000003276736 568871093 /nfs/dbraw/zinc/87/10/93/568871093.db2.gz JXPPERRHTTYFRT-UHFFFAOYSA-N 0 0 417.377 4.662 50 5 HJBARN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2 ZINC000058050660 568880292 /nfs/dbraw/zinc/88/02/92/568880292.db2.gz IXCPJPUYAUFZJL-UHFFFAOYSA-N 0 0 421.497 4.993 50 5 HJBARN COc1ccc(OC)c(CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1 ZINC000058138745 568890039 /nfs/dbraw/zinc/89/00/39/568890039.db2.gz WAQPWLMPGYYEOI-UHFFFAOYSA-N 0 0 402.834 4.815 50 5 HJBARN O=C(Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000058171912 568896050 /nfs/dbraw/zinc/89/60/50/568896050.db2.gz CVCOTYPRMKAFSH-UHFFFAOYSA-N 0 0 416.412 4.898 50 5 HJBARN COc1ccccc1-n1c(=O)c2ccccc2nc1SCc1ccc([N+](=O)[O-])cc1 ZINC000003477561 568908114 /nfs/dbraw/zinc/90/81/14/568908114.db2.gz SGXCYRBQBURCSX-UHFFFAOYSA-N 0 0 419.462 4.595 50 5 HJBARN CCn1c(SCc2cc(=O)oc3ccc4ccccc4c23)nnc1-c1ccncc1 ZINC000003501687 568910573 /nfs/dbraw/zinc/91/05/73/568910573.db2.gz DDPZPMDNRSPTIH-UHFFFAOYSA-N 0 0 414.490 4.912 50 5 HJBARN COc1cccc2c1O[C@H](c1ccc([N+](=O)[O-])cc1)N1N[C@@H](c3ccc(C)cc3)C[C@H]21 ZINC000019171739 568917235 /nfs/dbraw/zinc/91/72/35/568917235.db2.gz LFNIEMJFVXENHE-PQNGQFLHSA-N 0 0 417.465 4.996 50 5 HJBARN O=C(Nc1cccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1)c1ccco1 ZINC000001405342 568927917 /nfs/dbraw/zinc/92/79/17/568927917.db2.gz YZTKFSZZMJECGT-UHFFFAOYSA-N 0 0 417.377 4.952 50 5 HJBARN O=[N+]([O-])c1ccc(NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ncccc12 ZINC000004045816 568935775 /nfs/dbraw/zinc/93/57/75/568935775.db2.gz AIQXTCZDXYRUCT-UHFFFAOYSA-N 0 0 421.335 4.594 50 5 HJBARN COc1ccc([C@@H]2CC(=O)c3ccccc3O2)cc1COc1ccc([N+](=O)[O-])cc1 ZINC000004311700 568960790 /nfs/dbraw/zinc/96/07/90/568960790.db2.gz BIZHLMFLTLAVTB-QHCPKHFHSA-N 0 0 405.406 4.889 50 5 HJBARN O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000016384549 569040036 /nfs/dbraw/zinc/04/00/36/569040036.db2.gz RSHKRHQBLMGWLR-UHFFFAOYSA-N 0 0 414.893 4.701 50 5 HJBARN COc1cccc(Cc2cnc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)s2)c1 ZINC000012982951 569047313 /nfs/dbraw/zinc/04/73/13/569047313.db2.gz DYBOUDHKLFPWJE-UHFFFAOYSA-N 0 0 403.847 4.556 50 5 HJBARN O=[N+]([O-])c1ccc2[nH]c(CCCCCCc3nc4cc([N+](=O)[O-])ccc4[nH]3)nc2c1 ZINC000006446010 569052711 /nfs/dbraw/zinc/05/27/11/569052711.db2.gz RWQPAMIYBUSFQP-UHFFFAOYSA-N 0 0 408.418 4.601 50 5 HJBARN COc1cc(COc2ccc3c4ccccc4c(=O)oc3c2C)cc(OC)c1OC ZINC000001156196 569060300 /nfs/dbraw/zinc/06/03/00/569060300.db2.gz RKBVNWIUIZTDGN-UHFFFAOYSA-N 0 0 406.434 4.859 50 5 biogenic HJBARN Cc1cc(C)c(NC(=O)CCCOC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C)c1 ZINC000006559932 569065745 /nfs/dbraw/zinc/06/57/45/569065745.db2.gz SBXDXVAULBIUSW-UHFFFAOYSA-N 0 0 404.850 4.749 50 5 HJBARN COc1ccc([N+](=O)[O-])cc1CN1CCCn2cccc2[C@@H]1c1ccc(F)c(F)c1 ZINC000036348669 569144676 /nfs/dbraw/zinc/14/46/76/569144676.db2.gz DUUZJERVEQZHBQ-QFIPXVFZSA-N 0 0 413.424 4.678 50 5 HJBARN Cc1ccccc1Nc1nnc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000006831248 569147416 /nfs/dbraw/zinc/14/74/16/569147416.db2.gz PEFHCUQWUSPKBY-GFCCVEGCSA-N 0 0 415.500 4.618 50 5 HJBARN CC(C)n1c(CN2CCCCC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000065322272 569224596 /nfs/dbraw/zinc/22/45/96/569224596.db2.gz UCLHFJBFJTUGPS-UHFFFAOYSA-N 0 0 421.501 4.764 50 5 HJBARN CCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Cl)cc1 ZINC000007342076 569234543 /nfs/dbraw/zinc/23/45/43/569234543.db2.gz RHGSNPRGFUZIQU-UHFFFAOYSA-N 0 0 402.863 4.502 50 5 HJBARN CCc1nnc(NC(=O)c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)s1 ZINC000007347043 569234746 /nfs/dbraw/zinc/23/47/46/569234746.db2.gz YASIUMURZGOHNN-UHFFFAOYSA-N 0 0 404.448 4.551 50 5 HJBARN COC(=O)c1cc(NC(=O)c2oc3cc(C)c(Cl)cc3c2C)cc([N+](=O)[O-])c1 ZINC000526052254 569239748 /nfs/dbraw/zinc/23/97/48/569239748.db2.gz KIYHORWWYLSCEM-UHFFFAOYSA-N 0 0 402.790 4.650 50 5 HJBARN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC[C@H](c2nccs2)C1 ZINC000170621520 569248412 /nfs/dbraw/zinc/24/84/12/569248412.db2.gz FFJSRSMUOSDWRA-HNNXBMFYSA-N 0 0 409.467 4.863 50 5 HJBARN CCCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc2c1CC[C@H](C)C2 ZINC000002085399 569277979 /nfs/dbraw/zinc/27/79/79/569277979.db2.gz RXUMCJBOZFASNH-LBPRGKRZSA-N 0 0 416.499 4.909 50 5 HJBARN COc1ccc(C(=O)Nc2ccc3c(c2)nc(C)n3-c2ccccc2)cc1[N+](=O)[O-] ZINC000007594932 569287371 /nfs/dbraw/zinc/28/73/71/569287371.db2.gz QQLWSCUHLVVAHT-UHFFFAOYSA-N 0 0 402.410 4.503 50 5 HJBARN Cc1ccc(-n2c3nc4ccccc4nc3c3c2ncn(CC(C)C)c3=O)cc1Cl ZINC000002258102 569324827 /nfs/dbraw/zinc/32/48/27/569324827.db2.gz KAVAIXBAUINPQF-UHFFFAOYSA-N 0 0 417.900 4.901 50 5 HJBARN Cc1ccc(C(=O)[C@@H](C)Oc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000009445989 569392811 /nfs/dbraw/zinc/39/28/11/569392811.db2.gz WQOUHNDSULXKBN-MRXNPFEDSA-N 0 0 404.422 4.806 50 5 HJBARN Cc1ccc2nc3c(cc2c1)c(NC(=O)c1cccc([N+](=O)[O-])c1)nn3CC(C)C ZINC000002407106 569396259 /nfs/dbraw/zinc/39/62/59/569396259.db2.gz XQGFMHKOSBNPFZ-UHFFFAOYSA-N 0 0 403.442 4.709 50 5 HJBARN Cc1cccc(-n2c3nc4ccccc4nc3c3c2nc(C)n(CCC(C)C)c3=O)c1 ZINC000002426271 569398662 /nfs/dbraw/zinc/39/86/62/569398662.db2.gz LMGXVEQUOZWRJS-UHFFFAOYSA-N 0 0 411.509 4.947 50 5 HJBARN Cc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)c2ccc(Cl)cc2)cc1 ZINC000012461883 569401385 /nfs/dbraw/zinc/40/13/85/569401385.db2.gz ZKLAFOWASQLPTC-UHFFFAOYSA-N 0 0 415.854 4.620 50 5 HJBARN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2c(C)c(C)ccc2[N+](=O)[O-])cc1 ZINC000012987352 569405906 /nfs/dbraw/zinc/40/59/06/569405906.db2.gz KUFNGYSQLGEXRC-FQEVSTJZSA-N 0 0 411.502 4.776 50 5 HJBARN C[C@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1nc2ccccc2n1C ZINC000078821407 569420677 /nfs/dbraw/zinc/42/06/77/569420677.db2.gz YHZFLBIVUQGKOB-HNNXBMFYSA-N 0 0 415.453 4.716 50 5 HJBARN CCc1cc(N[C@H](c2nc(C3CC3)no2)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000079063767 569426367 /nfs/dbraw/zinc/42/63/67/569426367.db2.gz WKDUMTJYZZPCNI-SFHVURJKSA-N 0 0 408.462 4.684 50 5 HJBARN COc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1[N+](=O)[O-] ZINC000008738916 571109153 /nfs/dbraw/zinc/10/91/53/571109153.db2.gz CTJSZLMDSAQGNV-UHFFFAOYSA-N 0 0 417.215 4.878 50 5 HJBARN COc1cc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000040069915 571150926 /nfs/dbraw/zinc/15/09/26/571150926.db2.gz OTWUWKKKXNVSIX-SNVBAGLBSA-N 0 0 414.792 4.691 50 5 HJBARN CC(C)CSc1nnc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)s1 ZINC000040073227 571153493 /nfs/dbraw/zinc/15/34/93/571153493.db2.gz CVFZFOZVLNCDML-UHFFFAOYSA-N 0 0 409.518 4.537 50 5 HJBARN C[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000040112169 571170201 /nfs/dbraw/zinc/17/02/01/571170201.db2.gz OTMKVRRHLFPBTD-INIZCTEOSA-N 0 0 404.897 4.556 50 5 HJBARN Cc1ccc(F)cc1NC(=O)CNc1cc([N+](=O)[O-])ccc1Nc1ccc(F)cc1 ZINC000009221267 571238265 /nfs/dbraw/zinc/23/82/65/571238265.db2.gz FIPWTDNZPPQVMD-UHFFFAOYSA-N 0 0 412.396 4.976 50 5 HJBARN O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1cccc2ccccc21 ZINC000009347254 571250171 /nfs/dbraw/zinc/25/01/71/571250171.db2.gz CILHELOYLFBJEF-UHFFFAOYSA-N 0 0 416.462 4.933 50 5 HJBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1oc2ccccc2c1NC(=O)c1ccc(F)cc1 ZINC000009414192 571256091 /nfs/dbraw/zinc/25/60/91/571256091.db2.gz LENGZHAJHXJGJT-UHFFFAOYSA-N 0 0 419.368 4.985 50 5 HJBARN O=[N+]([O-])c1ccc(N2N=C(c3cccc(O)c3)C[C@H]2c2ccnn2C2CCCC2)cc1 ZINC000071785165 571300849 /nfs/dbraw/zinc/30/08/49/571300849.db2.gz YSNHIWXFFVKYGI-QHCPKHFHSA-N 0 0 417.469 4.968 50 5 HJBARN COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2C)c([N+](=O)[O-])cc1OC ZINC000001165492 132240009 /nfs/dbraw/zinc/24/00/09/132240009.db2.gz PLZUSIOFRSQIJT-JOCHJYFZSA-N 0 0 419.437 4.692 50 5 HJBARN C[C@@]12C[C@@H](NC(=S)N1c1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1O2 ZINC000002963697 132260887 /nfs/dbraw/zinc/26/08/87/132260887.db2.gz ZDISXBADICJCDA-CXAGYDPISA-N 0 0 409.389 4.548 50 5 HJBARN Cc1ccc2cccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)c2n1 ZINC000016348872 132463789 /nfs/dbraw/zinc/46/37/89/132463789.db2.gz NHHPDMGPBUCVPV-UHFFFAOYSA-N 0 0 404.470 4.940 50 5 HJBARN COC(=O)c1ccc(COC(=O)c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000001127730 522044248 /nfs/dbraw/zinc/04/42/48/522044248.db2.gz WHCWBJNHBWGBNH-UHFFFAOYSA-N 0 0 407.378 4.531 50 5 HJBARN CCc1ccc(-n2nc3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3n2)cc1 ZINC000001408944 523868790 /nfs/dbraw/zinc/86/87/90/523868790.db2.gz PCOABHDMCQSTQB-MDWZMJQESA-N 0 0 413.437 4.543 50 5 HJBARN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000032933074 525346008 /nfs/dbraw/zinc/34/60/08/525346008.db2.gz PVVKEXVLOFFWBF-OAHLLOKOSA-N 0 0 404.426 4.730 50 5 HJBARN Cc1nn(Cc2ccc(C(=O)Oc3cc(Cl)ccc3Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000024749543 526288166 /nfs/dbraw/zinc/28/81/66/526288166.db2.gz GYFONPQOENSVKN-UHFFFAOYSA-N 0 0 420.252 4.982 50 5 HJBARN O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCC(CCc2ccccc2)CC1 ZINC000025055767 526661557 /nfs/dbraw/zinc/66/15/57/526661557.db2.gz XTGSRJAISAXIAR-UHFFFAOYSA-N 0 0 417.303 4.842 50 5 HJBARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000032815072 527174738 /nfs/dbraw/zinc/17/47/38/527174738.db2.gz FZKDUBKKHBPCFZ-KRWDZBQOSA-N 0 0 422.268 4.535 50 5 HJBARN COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1c(C)onc1-c1ccccc1Cl ZINC000000943466 557121923 /nfs/dbraw/zinc/12/19/23/557121923.db2.gz RIWDGLBGBPKUSI-MDZDMXLPSA-N 0 0 414.801 4.779 50 5 HJBARN Cc1c(OS(=O)(=O)c2ccc(Cl)cc2)ccc2c3ccccc3c(=O)oc12 ZINC000002991493 557437905 /nfs/dbraw/zinc/43/79/05/557437905.db2.gz BXABQGFPLWTTJA-UHFFFAOYSA-N 0 0 400.839 4.676 50 5 HJBARN COC(=O)CCC(=O)Nc1cc(C(F)(F)F)cc2c1sc1nc3ccccc3n21 ZINC000012417592 558402543 /nfs/dbraw/zinc/40/25/43/558402543.db2.gz WFTMISDBVJREOZ-UHFFFAOYSA-N 0 0 421.400 4.613 50 5 HJBARN CC(=O)Oc1cn(Cc2ccc(Cl)cc2)c2nc(C)n3c4ccccc4nc3c12 ZINC000013228198 558527237 /nfs/dbraw/zinc/52/72/37/558527237.db2.gz IWWVHUUXCFZJCI-UHFFFAOYSA-N 0 0 404.857 4.773 50 5 HJBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC1(c2ccccc2)CCCC1 ZINC000024716246 558608702 /nfs/dbraw/zinc/60/87/02/558608702.db2.gz KWQKYSPFSGBGMB-UHFFFAOYSA-N 0 0 410.517 4.783 50 5 HJBARN COc1cccc(/N=c2\oc3ccc([N+](=O)[O-])cc3cc2C(=O)Nc2ccccc2)c1 ZINC000004551170 558689314 /nfs/dbraw/zinc/68/93/14/558689314.db2.gz VQVLXVQMQKSZDH-BZZOAKBMSA-N 0 0 415.405 4.834 50 5 HJBARN CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)nc2c3ccccc3oc(=O)c12 ZINC000018122439 558831642 /nfs/dbraw/zinc/83/16/42/558831642.db2.gz KIYSHLWWQLTDKR-UHFFFAOYSA-N 0 0 400.221 4.668 50 5 HJBARN CCOc1ccc(-n2c(/C=C\c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1 ZINC000096878883 558862754 /nfs/dbraw/zinc/86/27/54/558862754.db2.gz RWTTYDFGOVLLJQ-GDNBJRDFSA-N 0 0 413.433 4.863 50 5 HJBARN CCOc1ccc(NC(=O)[C@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000004691508 558905221 /nfs/dbraw/zinc/90/52/21/558905221.db2.gz PYGYHKAPQYWSAV-NSHDSACASA-N 0 0 403.485 4.723 50 5 HJBARN O=[N+]([O-])c1ccccc1CN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000004725267 558923136 /nfs/dbraw/zinc/92/31/36/558923136.db2.gz HSORJSKSWYOQKW-UHFFFAOYSA-N 0 0 403.482 4.705 50 5 HJBARN Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)C=Cc1ccc(-c2ccccc2)o1 ZINC000013946213 558984985 /nfs/dbraw/zinc/98/49/85/558984985.db2.gz XIAODBRJVHMNRS-ZRDIBKRKSA-N 0 0 407.451 4.690 50 5 HJBARN Cc1cc(C(F)(F)Cl)nc2sc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c(N)c21 ZINC000013959565 559014468 /nfs/dbraw/zinc/01/44/68/559014468.db2.gz VTAYWNDXQJUOBW-UHFFFAOYSA-N 0 0 412.805 4.636 50 5 HJBARN Cc1cc([N+](=O)[O-])ccc1N[C@H](NC(=O)c1cccs1)C(Cl)(Cl)Cl ZINC000004797689 559065106 /nfs/dbraw/zinc/06/51/06/559065106.db2.gz WTFNZZDKRWDNPJ-CYBMUJFWSA-N 0 0 408.694 4.503 50 5 HJBARN CCC(CC)C(=O)Nc1cccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1 ZINC000004814260 559069151 /nfs/dbraw/zinc/06/91/51/559069151.db2.gz UOIXOUCISLDZCG-UHFFFAOYSA-N 0 0 412.471 4.832 50 5 HJBARN O=[N+]([O-])c1ccc(Sc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)nc1 ZINC000023615805 559178157 /nfs/dbraw/zinc/17/81/57/559178157.db2.gz VAJJCVDNKNBMCI-UHFFFAOYSA-N 0 0 411.393 4.667 50 5 HJBARN COc1ccc(C2=NN3[C@H](C2)c2cc([N+](=O)[O-])ccc2O[C@@H]3c2ccccc2)cc1 ZINC000004871969 559194525 /nfs/dbraw/zinc/19/45/25/559194525.db2.gz UCOVRFHFHHQFHH-FYYLOGMGSA-N 0 0 401.422 4.846 50 5 HJBARN COc1ccc(N2C(=O)c3ccc(Oc4ccc(C)cc4)cc3C2=O)c([N+](=O)[O-])c1 ZINC000004912850 559202177 /nfs/dbraw/zinc/20/21/77/559202177.db2.gz PVIYYYGARKGGMA-UHFFFAOYSA-N 0 0 404.378 4.505 50 5 HJBARN Cc1oc(-c2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000005033237 559231691 /nfs/dbraw/zinc/23/16/91/559231691.db2.gz JLVHWGAVLVHXFG-UHFFFAOYSA-N 0 0 401.762 4.977 50 5 HJBARN Cc1ccc2nc(-c3ccccn3)cc(C(=O)Nc3ccc(F)cc3[N+](=O)[O-])c2c1 ZINC000005048534 559235577 /nfs/dbraw/zinc/23/55/77/559235577.db2.gz DJKOINITFMDSGO-UHFFFAOYSA-N 0 0 402.385 4.905 50 5 HJBARN CCc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)OCc2ccccc2[N+](=O)[O-])cc1 ZINC000005065567 559239429 /nfs/dbraw/zinc/23/94/29/559239429.db2.gz KOSMYOKIFSRFGR-VQTJNVASSA-N 0 0 410.470 4.646 50 5 HJBARN CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC000005100370 559245001 /nfs/dbraw/zinc/24/50/01/559245001.db2.gz UJHZDDUYVVAXHX-GOSISDBHSA-N 0 0 411.454 4.545 50 5 HJBARN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1cccnc1)c1nc2c(cccc2F)s1 ZINC000005142182 559251845 /nfs/dbraw/zinc/25/18/45/559251845.db2.gz HKFUVMWVWCYYGQ-UHFFFAOYSA-N 0 0 408.414 4.586 50 5 HJBARN CC[C@H](C)n1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccccc2F)c1=O ZINC000005156470 559258950 /nfs/dbraw/zinc/25/89/50/559258950.db2.gz JMKJYNSTCBKMFN-ZDUSSCGKSA-N 0 0 401.445 4.702 50 5 HJBARN O=C(Nc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1)c1ccco1 ZINC000000861594 559290641 /nfs/dbraw/zinc/29/06/41/559290641.db2.gz XQJJTRGCSYVJBM-UHFFFAOYSA-N 0 0 417.377 4.952 50 5 HJBARN Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCC3)c(-c3ccccc3Cl)nc21 ZINC000005428660 560586171 /nfs/dbraw/zinc/58/61/71/560586171.db2.gz CDBPGQIKLDEJBM-UHFFFAOYSA-N 0 0 405.885 4.684 50 5 HJBARN CCOC(=O)c1cc(C(=O)c2cccc([N+](=O)[O-])c2)n2c1ccc1cc(C)ccc12 ZINC000005610303 560628906 /nfs/dbraw/zinc/62/89/06/560628906.db2.gz CLGGFBCXGARGHA-UHFFFAOYSA-N 0 0 402.406 4.717 50 5 HJBARN CCC(=O)Oc1ccc(/C=C/c2ccc3cccc(OC(=O)CC)c3n2)cc1[N+](=O)[O-] ZINC000015016680 560767108 /nfs/dbraw/zinc/76/71/08/560767108.db2.gz PEJOMILIXSQQJL-DHZHZOJOSA-N 0 0 420.421 4.944 50 5 HJBARN COc1cccc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)oc3ccccc3c2=O)c1 ZINC000101192174 560789001 /nfs/dbraw/zinc/78/90/01/560789001.db2.gz YZFSJUOCQQZORE-UHFFFAOYSA-N 0 0 416.389 4.629 50 5 HJBARN CCn1c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)nnc1-c1ccccc1C ZINC000048312616 568439026 /nfs/dbraw/zinc/43/90/26/568439026.db2.gz YHFYJLHTGIGITB-UHFFFAOYSA-N 0 0 422.470 4.524 50 5 HJBARN O=C(c1ccc(COc2ccc([N+](=O)[O-])cc2)o1)N1CCC(Cc2ccccc2)CC1 ZINC000000652549 568457617 /nfs/dbraw/zinc/45/76/17/568457617.db2.gz UDKOSRSOKCEOGU-UHFFFAOYSA-N 0 0 420.465 4.862 50 5 HJBARN Cc1c(C(=O)Nc2cnn(Cc3c(Cl)cccc3Cl)c2)cccc1[N+](=O)[O-] ZINC000000672976 568461108 /nfs/dbraw/zinc/46/11/08/568461108.db2.gz KMIBCYXUPMMRNZ-UHFFFAOYSA-N 0 0 405.241 4.707 50 5 HJBARN CC(C)OC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CC[C@H](C)C2 ZINC000000687067 568461436 /nfs/dbraw/zinc/46/14/36/568461436.db2.gz KPHKBUVETNFIHG-LBPRGKRZSA-N 0 0 402.472 4.599 50 5 HJBARN CC(C)OC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CC[C@H](C)C2 ZINC000000799313 568478601 /nfs/dbraw/zinc/47/86/01/568478601.db2.gz SXYPBAHEJHRDEN-LBPRGKRZSA-N 0 0 402.472 4.599 50 5 HJBARN CCCN(CCC)C(=O)c1oc2ccccc2c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000020900609 568649563 /nfs/dbraw/zinc/64/95/63/568649563.db2.gz CEIRNJVJUBCCQT-UHFFFAOYSA-N 0 0 409.442 4.856 50 5 HJBARN O=C(Nc1cccc(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)c1)[C@H]1CCCO1 ZINC000095997106 568679140 /nfs/dbraw/zinc/67/91/40/568679140.db2.gz IVIGYCXIIFMGGX-MRXNPFEDSA-N 0 0 410.257 4.631 50 5 HJBARN CC[C@H](C)[C@H](NC(=O)/C=C/c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277152 568715814 /nfs/dbraw/zinc/71/58/14/568715814.db2.gz WQUNWVKFISFUEB-LAYKLUKMSA-N 0 0 406.442 4.562 50 5 HJBARN CC[C@H](C)[C@H](NC(=O)c1ccccc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277037 568715952 /nfs/dbraw/zinc/71/59/52/568715952.db2.gz DEZLBQZVUYUEKE-SJCJKPOMSA-N 0 0 414.849 4.815 50 5 HJBARN Cc1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000015034270 568747047 /nfs/dbraw/zinc/74/70/47/568747047.db2.gz CDVPVAKSILVZFJ-JOCHJYFZSA-N 0 0 407.495 4.551 50 5 HJBARN Cc1ccc2cc3c(N)c(-c4nnc(-c5ccccc5[N+](=O)[O-])o4)sc3nc2c1 ZINC000000906836 568749782 /nfs/dbraw/zinc/74/97/82/568749782.db2.gz WENXQFJVHLCFFN-UHFFFAOYSA-N 0 0 403.423 4.965 50 5 HJBARN COc1cc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000025270261 568762088 /nfs/dbraw/zinc/76/20/88/568762088.db2.gz TXWOAEMZGQLKIX-UHFFFAOYSA-N 0 0 419.865 4.508 50 5 HJBARN CCc1ccc2oc(-c3ccc(NC(=O)COc4ccccc4[N+](=O)[O-])cc3)nc2c1 ZINC000001004634 568762372 /nfs/dbraw/zinc/76/23/72/568762372.db2.gz QGRTXPDDJRYYBZ-UHFFFAOYSA-N 0 0 417.421 4.983 50 5 HJBARN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc2ccccc2oc1=O ZINC000001116048 568770844 /nfs/dbraw/zinc/77/08/44/568770844.db2.gz NQWOFQJZFINKFC-UHFFFAOYSA-N 0 0 417.373 4.851 50 5 HJBARN CCOc1ccc(C(=O)NC(=S)Nc2ccccc2[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000001130827 568773108 /nfs/dbraw/zinc/77/31/08/568773108.db2.gz IKXPGMVTNBJQKD-ZDUSSCGKSA-N 0 0 401.488 4.634 50 5 HJBARN Cc1ccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccc(C)cc2)cc1 ZINC000001150525 568774027 /nfs/dbraw/zinc/77/40/27/568774027.db2.gz PGHZTJUXMRHUDO-PXLXIMEGSA-N 0 0 415.449 4.621 50 5 HJBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000001156674 568774240 /nfs/dbraw/zinc/77/42/40/568774240.db2.gz RYEGNCFLXRVGFM-UHFFFAOYSA-N 0 0 407.357 4.560 50 5 HJBARN O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1c(F)cccc1Cl ZINC000002483552 568775149 /nfs/dbraw/zinc/77/51/49/568775149.db2.gz KFCKDUYDRZIIJT-UHFFFAOYSA-N 0 0 418.837 4.572 50 5 HJBARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000299804358 568782697 /nfs/dbraw/zinc/78/26/97/568782697.db2.gz XLCBPMHIXQRPBE-URXFXBBRSA-N 0 0 413.433 4.656 50 5 HJBARN CC[C@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000002821334 568812142 /nfs/dbraw/zinc/81/21/42/568812142.db2.gz NWOHZHKRNNNHSW-INIZCTEOSA-N 0 0 415.496 4.917 50 5 HJBARN O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002844759 568812922 /nfs/dbraw/zinc/81/29/22/568812922.db2.gz NVVYNNCYGKMGTR-BKUYFWCQSA-N 0 0 418.380 4.657 50 5 HJBARN COc1ccc(C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)cc1[N+](=O)[O-] ZINC000002886539 568814397 /nfs/dbraw/zinc/81/43/97/568814397.db2.gz KOAFGOCTDBUHMS-UHFFFAOYSA-N 0 0 416.389 4.629 50 5 HJBARN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000001177671 568819079 /nfs/dbraw/zinc/81/90/79/568819079.db2.gz AHGONXUIEHQAGP-UHFFFAOYSA-N 0 0 415.858 4.537 50 5 HJBARN COc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1[N+](=O)[O-] ZINC000001211074 568824520 /nfs/dbraw/zinc/82/45/20/568824520.db2.gz ZRVNZTQTTIDLMY-UHFFFAOYSA-N 0 0 421.434 4.838 50 5 HJBARN Cc1ccc(CNC(=O)CSc2nc3ccccc3c3nc4ccccc4n32)cc1 ZINC000002959652 568830077 /nfs/dbraw/zinc/83/00/77/568830077.db2.gz SHNLOOKNOPXWGI-UHFFFAOYSA-N 0 0 412.518 4.753 50 5 HJBARN O=c1c2ccccc2nc(SCc2cccc([N+](=O)[O-])c2)n1Cc1ccccc1 ZINC000002970163 568830471 /nfs/dbraw/zinc/83/04/71/568830471.db2.gz ISGFVUUHYRDVKO-UHFFFAOYSA-N 0 0 403.463 4.645 50 5 HJBARN CC[C@H](C)[C@H]1N=C2c3ccccc3N=C(SCc3ccc([N+](=O)[O-])cc3)N2C1=O ZINC000002964580 568830833 /nfs/dbraw/zinc/83/08/33/568830833.db2.gz AJCCIHWETJSUPB-SCLBCKFNSA-N 0 0 408.483 4.533 50 5 HJBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000002986642 568833140 /nfs/dbraw/zinc/83/31/40/568833140.db2.gz OHLAEPFBYGJGDR-FNORWQNLSA-N 0 0 411.310 4.964 50 5 HJBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](Sc1nncs1)c1ccccc1 ZINC000003279194 568850658 /nfs/dbraw/zinc/85/06/58/568850658.db2.gz IJNNUTSNCMTNQN-AWEZNQCLSA-N 0 0 406.876 4.572 50 5 HJBARN O=C(Nc1ccccc1F)C(=Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1F ZINC000003256967 568868537 /nfs/dbraw/zinc/86/85/37/568868537.db2.gz KCDUUDTXFDQTJH-UHFFFAOYSA-N 0 0 423.375 4.534 50 5 HJBARN CS(=O)(=O)c1ccc(-c2cc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000015454034 568915974 /nfs/dbraw/zinc/91/59/74/568915974.db2.gz LIVWDQBKBMMYIA-UHFFFAOYSA-N 0 0 404.447 4.881 50 5 HJBARN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(CCc1ccccc1)c1ccccc1 ZINC000058440813 568918600 /nfs/dbraw/zinc/91/86/00/568918600.db2.gz PVEIPHDXRWJHIT-UHFFFAOYSA-N 0 0 412.449 4.670 50 5 HJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000004038397 568934665 /nfs/dbraw/zinc/93/46/65/568934665.db2.gz TYBLHJVDQLSSMD-UHFFFAOYSA-N 0 0 420.465 4.947 50 5 HJBARN O=C(CCCOc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000004042150 568935736 /nfs/dbraw/zinc/93/57/36/568935736.db2.gz JPLIHSMVNHUFFG-UHFFFAOYSA-N 0 0 413.655 4.808 50 5 HJBARN O=C(N[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000084393501 568948536 /nfs/dbraw/zinc/94/85/36/568948536.db2.gz PBKWUTLBCJRWMT-NVXWUHKLSA-N 0 0 400.793 4.933 50 5 HJBARN O=C(N[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000084393493 568948564 /nfs/dbraw/zinc/94/85/64/568948564.db2.gz PBKWUTLBCJRWMT-WBVHZDCISA-N 0 0 400.793 4.933 50 5 HJBARN Cc1ccccc1-n1nc2c(c1NC(=O)c1cc([N+](=O)[O-])ccc1Cl)CSC2 ZINC000004176117 568948678 /nfs/dbraw/zinc/94/86/78/568948678.db2.gz QREDTOJAZRALME-UHFFFAOYSA-N 0 0 414.874 4.741 50 5 HJBARN Cc1ccc(C2=NN(C(=O)COc3cc(C)ccc3[N+](=O)[O-])[C@@H](c3ccco3)C2)cc1 ZINC000007979192 568963380 /nfs/dbraw/zinc/96/33/80/568963380.db2.gz FCAPCBZSALTPJI-HXUWFJFHSA-N 0 0 419.437 4.561 50 5 HJBARN Cc1ccc(C2=NN(C(=O)COc3cc(C)ccc3[N+](=O)[O-])[C@H](c3ccco3)C2)cc1 ZINC000007979188 568963416 /nfs/dbraw/zinc/96/34/16/568963416.db2.gz FCAPCBZSALTPJI-FQEVSTJZSA-N 0 0 419.437 4.561 50 5 HJBARN Cc1ccc2nc(NC(=O)[C@@H]3CCCN3Sc3ccccc3[N+](=O)[O-])sc2c1 ZINC000001445598 568968679 /nfs/dbraw/zinc/96/86/79/568968679.db2.gz AEGBJONAPLVDKL-HNNXBMFYSA-N 0 0 414.512 4.623 50 5 HJBARN O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000012814855 568989361 /nfs/dbraw/zinc/98/93/61/568989361.db2.gz KPQICTAYQFZGTD-IBGZPJMESA-N 0 0 420.849 4.733 50 5 HJBARN O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C\c1ccccc1)NC(=O)c1ccccc1Cl ZINC000015821587 569010456 /nfs/dbraw/zinc/01/04/56/569010456.db2.gz YBSPAPLZULRDAW-XSFVSMFZSA-N 0 0 421.840 4.658 50 5 HJBARN CN(C(=O)COc1ccc([N+](=O)[O-])cc1Cl)C(c1ccccc1)c1ccccc1 ZINC000012892990 569020220 /nfs/dbraw/zinc/02/02/20/569020220.db2.gz OIUUTAMGPXVRKS-UHFFFAOYSA-N 0 0 410.857 4.875 50 5 HJBARN COc1ccc([C@H](OC)c2ccc3c(ccc4c(C)cc(=O)oc43)c2O)cc1OC ZINC000012902274 569020878 /nfs/dbraw/zinc/02/08/78/569020878.db2.gz BEASPGXVZCQOJS-QHCPKHFHSA-N 0 0 406.434 4.713 50 5 biogenic HJBARN O=[N+]([O-])c1ccc2nc(/C=C/c3cc4ccccc4nc3N3CCOCC3)sc2c1 ZINC000016044984 569028107 /nfs/dbraw/zinc/02/81/07/569028107.db2.gz BLBAMLPKIKENLM-VMPITWQZSA-N 0 0 418.478 4.760 50 5 HJBARN C[C@@H]1CCCN(c2ccc(C(=O)OCc3nc4ccccc4s3)cc2[N+](=O)[O-])C1 ZINC000006248257 569034614 /nfs/dbraw/zinc/03/46/14/569034614.db2.gz ADWHVXASXSBOKI-CQSZACIVSA-N 0 0 411.483 4.798 50 5 HJBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000016382313 569040199 /nfs/dbraw/zinc/04/01/99/569040199.db2.gz AHYFXGVZWXYGBH-OAHLLOKOSA-N 0 0 414.632 4.687 50 5 HJBARN Cc1csc(S[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 ZINC000006586810 569067734 /nfs/dbraw/zinc/06/77/34/569067734.db2.gz JKSYIQOGWHWWSN-JTQLQIEISA-N 0 0 406.514 4.603 50 5 HJBARN Cc1ccc(CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000036247068 569116908 /nfs/dbraw/zinc/11/69/08/569116908.db2.gz WRWYLFJLTWVRKJ-UHFFFAOYSA-N 0 0 416.886 4.952 50 5 HJBARN Cc1cccc(CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000036247964 569117221 /nfs/dbraw/zinc/11/72/21/569117221.db2.gz YJTFSCIWNIYMBG-UHFFFAOYSA-N 0 0 416.886 4.952 50 5 HJBARN COc1ccc(-c2csc(NC(=O)c3ccc(SC)c([N+](=O)[O-])c3)n2)cc1 ZINC000006786488 569121385 /nfs/dbraw/zinc/12/13/85/569121385.db2.gz VYYPHVPEIFJYAB-UHFFFAOYSA-N 0 0 401.469 4.701 50 5 HJBARN O=C(NCc1cccc(COCc2ccccc2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000036391645 569167132 /nfs/dbraw/zinc/16/71/32/569167132.db2.gz 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O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(Br)s1 ZINC000017155358 569275810 /nfs/dbraw/zinc/27/58/10/569275810.db2.gz FOXNQGMDZQDWKY-UHFFFAOYSA-N 0 0 410.274 4.795 50 5 HJBARN Cc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@@H](C)C3)cc1[N+](=O)[O-] ZINC000002092996 569280355 /nfs/dbraw/zinc/28/03/55/569280355.db2.gz DVXLMPURAPHVIB-GFCCVEGCSA-N 0 0 416.499 4.907 50 5 HJBARN O=c1c2ccccc2oc2nc(-c3ccccc3Cl)n(Cc3ccccc3)c(=O)c12 ZINC000002197766 569294752 /nfs/dbraw/zinc/29/47/52/569294752.db2.gz YGELWGOMGGHFHQ-UHFFFAOYSA-N 0 0 414.848 4.872 50 5 HJBARN Cc1ccc(N(C(=O)c2ccco2)C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000037560798 569307085 /nfs/dbraw/zinc/30/70/85/569307085.db2.gz OKUATCDLLWZPPA-UHFFFAOYSA-N 0 0 419.481 4.808 50 5 HJBARN CSc1ccc(C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1[N+](=O)[O-] ZINC000007781380 569309969 /nfs/dbraw/zinc/30/99/69/569309969.db2.gz TZWXQUPLRVAXFZ-HXUWFJFHSA-N 0 0 416.499 4.605 50 5 HJBARN CCc1cccc(-n2c3nc4ccccc4nc3c3c2ncn(C2CCCC2)c3=O)c1 ZINC000002255458 569326248 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OWESFTSRDBIMOL-GOSISDBHSA-N 0 0 407.451 4.656 50 5 HJBARN Cc1ccc(Cn2cnc3c(c4nc5ccccc5nc4n3CCC(C)C)c2=O)cc1 ZINC000002247440 569324360 /nfs/dbraw/zinc/32/43/60/569324360.db2.gz MQKCOQAYCSCYRU-UHFFFAOYSA-N 0 0 411.509 4.697 50 5 HJBARN Cc1ccc(Cn2cnc3c(c4nc5ccccc5nc4n3-c3ccccc3)c2=O)cc1 ZINC000002249211 569324574 /nfs/dbraw/zinc/32/45/74/569324574.db2.gz WIFBBULSFXUUHG-UHFFFAOYSA-N 0 0 417.472 4.640 50 5 HJBARN CC(C)Cn1cnc2c(c3nc4ccccc4nc3n2Cc2ccccc2Cl)c1=O ZINC000002254058 569326107 /nfs/dbraw/zinc/32/61/07/569326107.db2.gz CNOYZBKOPINXNE-UHFFFAOYSA-N 0 0 417.900 4.652 50 5 HJBARN CCOC(=O)N=[S@](=O)(Oc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 ZINC000017729797 569364624 /nfs/dbraw/zinc/36/46/24/569364624.db2.gz NUCZFLOIDBWRGP-MUUNZHRXSA-N 0 0 400.412 4.725 50 5 HJBARN CN1c2ccccc2C(C)(C)[C@]12C=Cc1cc(Br)cc([N+](=O)[O-])c1O2 ZINC000002300647 569372065 /nfs/dbraw/zinc/37/20/65/569372065.db2.gz ICAMZMGPBZILLD-LJQANCHMSA-N 0 0 401.260 4.887 50 5 HJBARN O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000002358886 569381170 /nfs/dbraw/zinc/38/11/70/569381170.db2.gz OCBQNLIAJCLPMR-UHFFFAOYSA-N 0 0 418.430 4.911 50 5 HJBARN CCCCCCn1c(C)nc2c(c3nc4ccccc4nc3n2Cc2ccco2)c1=O ZINC000002409846 569396619 /nfs/dbraw/zinc/39/66/19/569396619.db2.gz DJOZHBVBLIDKRS-UHFFFAOYSA-N 0 0 415.497 4.824 50 5 HJBARN CCCn1cnc2c(c3nc4ccccc4nc3n2-c2ccc(C)c(Cl)c2)c1=O ZINC000002420449 569397929 /nfs/dbraw/zinc/39/79/29/569397929.db2.gz UVVXTXRAQFJNGH-UHFFFAOYSA-N 0 0 403.873 4.655 50 5 HJBARN Cc1cccc2cc3c(NC(=O)c4cccc([N+](=O)[O-])c4)nn(CC(C)C)c3nc12 ZINC000002429093 569398858 /nfs/dbraw/zinc/39/88/58/569398858.db2.gz HFFWTTPWVXVTAC-UHFFFAOYSA-N 0 0 403.442 4.709 50 5 HJBARN Cc1cccc(C(=O)N[C@@H](Cc2nc3ccccc3n2C)c2ccccc2)c1[N+](=O)[O-] ZINC000012627377 569402163 /nfs/dbraw/zinc/40/21/63/569402163.db2.gz ZTXDTAODRCLFNT-FQEVSTJZSA-N 0 0 414.465 4.504 50 5 HJBARN Cc1c(C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cccc1[N+](=O)[O-] ZINC000012654403 569402342 /nfs/dbraw/zinc/40/23/42/569402342.db2.gz HXURQQMIYUCQMZ-UHFFFAOYSA-N 0 0 414.849 4.657 50 5 HJBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1c2c(sc1-n1cccc1)CSCC2 ZINC000012895603 569404561 /nfs/dbraw/zinc/40/45/61/569404561.db2.gz ZULANAYQIAZZBS-UHFFFAOYSA-N 0 0 403.460 4.628 50 5 HJBARN Cc1nc(-c2ccc(CCNC(=O)c3ccc([N+](=O)[O-])cc3Cl)s2)cs1 ZINC000012904030 569404806 /nfs/dbraw/zinc/40/48/06/569404806.db2.gz BYAXFJSBNMOCGZ-UHFFFAOYSA-N 0 0 407.904 4.714 50 5 HJBARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000012994633 569406025 /nfs/dbraw/zinc/40/60/25/569406025.db2.gz ATADCBFVGSENDR-UHFFFAOYSA-N 0 0 418.808 4.685 50 5 HJBARN COc1ccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000012993334 569406046 /nfs/dbraw/zinc/40/60/46/569406046.db2.gz KMCVFBHWBXOXNR-SFHVURJKSA-N 0 0 400.481 4.514 50 5 HJBARN Cc1c(-c2ccccc2)sc2ncn(CC(=O)c3ccc(C)c([N+](=O)[O-])c3)c(=O)c12 ZINC000013121432 569409355 /nfs/dbraw/zinc/40/93/55/569409355.db2.gz GPXLKAVYEUATIR-UHFFFAOYSA-N 0 0 419.462 4.533 50 5 HJBARN CCc1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)c1cccc([N+](=O)[O-])c1 ZINC000013370017 569412740 /nfs/dbraw/zinc/41/27/40/569412740.db2.gz DEADVDVSJPEMSC-MOPGFXCFSA-N 0 0 423.517 4.627 50 5 biogenic HJBARN COc1ccccc1-c1noc(-c2ccc(NCCc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000008586846 571083469 /nfs/dbraw/zinc/08/34/69/571083469.db2.gz OOIJTPSJVXSMEE-UHFFFAOYSA-N 0 0 416.437 4.975 50 5 HJBARN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCc1ccc(Cl)cc1 ZINC000008825945 571122228 /nfs/dbraw/zinc/12/22/28/571122228.db2.gz HVKHBNALQBATAD-UHFFFAOYSA-N 0 0 418.824 4.718 50 5 HJBARN Cc1c(CSc2nnc(COc3ccc(Cl)cc3)n2C)cccc1[N+](=O)[O-] ZINC000040127302 571179001 /nfs/dbraw/zinc/17/90/01/571179001.db2.gz ZJNLYEGTPAOEOX-UHFFFAOYSA-N 0 0 404.879 4.556 50 5 HJBARN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)c12 ZINC000040130879 571182839 /nfs/dbraw/zinc/18/28/39/571182839.db2.gz FRFKCHOEMCTQKF-UHFFFAOYSA-N 0 0 407.474 4.841 50 5 HJBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Oc1ccccc1-c1ccccc1 ZINC000009119784 571225145 /nfs/dbraw/zinc/22/51/45/571225145.db2.gz ABKXZAXGVNTTBT-UHFFFAOYSA-N 0 0 424.478 4.839 50 5 HJBARN Cc1cccc2cc(CN(C(=O)c3ccc([N+](=O)[O-])cc3)C3CCCCC3)c(=O)[nH]c12 ZINC000009159408 571232303 /nfs/dbraw/zinc/23/23/03/571232303.db2.gz IWRNUSANCAAKKV-UHFFFAOYSA-N 0 0 419.481 4.720 50 5 HJBARN CCN(CC)c1cc(Nc2ccc(C)c(Br)c2)c([N+](=O)[O-])c2nonc21 ZINC000009234243 571239995 /nfs/dbraw/zinc/23/99/95/571239995.db2.gz WBWAEGPQUMFWSK-UHFFFAOYSA-N 0 0 420.267 4.792 50 5 HJBARN CC(=O)N(c1nc(Cn2ncc3ccc([N+](=O)[O-])cc32)cs1)c1ccc(C)c(C)c1 ZINC000009317442 571247750 /nfs/dbraw/zinc/24/77/50/571247750.db2.gz MSDDOJRSYHBFLY-UHFFFAOYSA-N 0 0 421.482 4.751 50 5 HJBARN Cn1c2ccccc2c(=O)c2c(=O)n(-c3cccc(Cl)c3)c(-c3cccs3)nc21 ZINC000009348660 571250504 /nfs/dbraw/zinc/25/05/04/571250504.db2.gz ISCYGFJEHJTBFS-UHFFFAOYSA-N 0 0 419.893 4.620 50 5 HJBARN Cc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000009379851 571253716 /nfs/dbraw/zinc/25/37/16/571253716.db2.gz ADUWCUMYCYRKRH-UHFFFAOYSA-N 0 0 413.433 4.592 50 5 HJBARN C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000009441412 571259244 /nfs/dbraw/zinc/25/92/44/571259244.db2.gz TYTATIRGVYUZGM-QMMMGPOBSA-N 0 0 417.632 4.739 50 5 HJBARN COc1ccc(OC)c(-c2csc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])n2)c1 ZINC000009443616 571259504 /nfs/dbraw/zinc/25/95/04/571259504.db2.gz RLBWIFQOBTXTNU-UHFFFAOYSA-N 0 0 419.846 4.641 50 5 HJBARN O=C(COc1cc(Cl)ccc1Cl)Nc1ccc([N+](=O)[O-])cc1Br ZINC000009496915 571263183 /nfs/dbraw/zinc/26/31/83/571263183.db2.gz FLCZJHLJHIABPZ-UHFFFAOYSA-N 0 0 420.046 4.682 50 5 HJBARN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2c1 ZINC000009668149 571278250 /nfs/dbraw/zinc/27/82/50/571278250.db2.gz RRXKFFNZCJDCOQ-UHFFFAOYSA-N 0 0 422.422 4.675 50 5 HJBARN Cc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc1[N+](=O)[O-] ZINC000009906346 571289919 /nfs/dbraw/zinc/28/99/19/571289919.db2.gz LJFPGNAMMCBLEB-UHFFFAOYSA-N 0 0 417.796 4.702 50 5 HJBARN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(Br)c1 ZINC000005898188 132308445 /nfs/dbraw/zinc/30/84/45/132308445.db2.gz SZQWTPAWLGBNGZ-UHFFFAOYSA-N 0 0 418.291 4.908 50 5 HJBARN O=C(Nc1nc2ccc(F)cc2s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000006125047 132309215 /nfs/dbraw/zinc/30/92/15/132309215.db2.gz AODAVJMJUQYQIX-UHFFFAOYSA-N 0 0 400.435 4.586 50 5 HJBARN COc1ccc(-c2noc(-c3ccc(N4CCCC[C@H]4C)c([N+](=O)[O-])c3)n2)cc1OC ZINC000008586924 132330489 /nfs/dbraw/zinc/33/04/89/132330489.db2.gz ULZKHFMBYMPRTQ-CQSZACIVSA-N 0 0 424.457 4.708 50 5 HJBARN O=C1c2ccccc2C(=CNc2ccccc2[N+](=O)[O-])C(=O)N1c1cccc(Cl)c1 ZINC000012312249 132358343 /nfs/dbraw/zinc/35/83/43/132358343.db2.gz MDORHUMVZYPMLW-QGOAFFKASA-N 0 0 419.824 4.888 50 5 HJBARN CC(C)c1cccc(C(C)C)c1NC(=O)CN1C(=O)CCc2cc([N+](=O)[O-])ccc21 ZINC000032936856 519841137 /nfs/dbraw/zinc/84/11/37/519841137.db2.gz UNOAJNNVALMGSO-UHFFFAOYSA-N 0 0 409.486 4.760 50 5 HJBARN C[C@H](NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc2ccccc2c1 ZINC000032777379 524978009 /nfs/dbraw/zinc/97/80/09/524978009.db2.gz SFFQAHBHSJYFQT-ZDUSSCGKSA-N 0 0 407.451 4.859 50 5 HJBARN COc1cccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccccc3[N+](=O)[O-])C2)c1 ZINC000225849557 525859232 /nfs/dbraw/zinc/85/92/32/525859232.db2.gz SMUYQANYTQXRKX-IBGZPJMESA-N 0 0 407.451 4.656 50 5 HJBARN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000032900466 526514357 /nfs/dbraw/zinc/51/43/57/526514357.db2.gz OBAOYDNKDNJXPI-GOSISDBHSA-N 0 0 410.499 4.760 50 5 HJBARN Cc1cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C(C)C)cc1Br ZINC000004589230 557570249 /nfs/dbraw/zinc/57/02/49/557570249.db2.gz LWDJTYTUXJXSMK-UHFFFAOYSA-N 0 0 407.264 4.807 50 5 HJBARN Cc1ccc(-c2cnc(CCC(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)o2)cc1 ZINC000010904353 558556939 /nfs/dbraw/zinc/55/69/39/558556939.db2.gz OEKAZXGGUAJIQO-UHFFFAOYSA-N 0 0 413.861 4.803 50 5 HJBARN Cc1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c([N+](=O)[O-])c1 ZINC000004540046 558661608 /nfs/dbraw/zinc/66/16/08/558661608.db2.gz NFRVZHWJQFDIFO-OAQYLSRUSA-N 0 0 402.406 4.610 50 5 HJBARN CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc2c1CC[C@@H](C)C2 ZINC000004558414 558726616 /nfs/dbraw/zinc/72/66/16/558726616.db2.gz JACBGCUJRPMQTB-LLVKDONJSA-N 0 0 402.472 4.519 50 5 HJBARN CCOc1ccc(NC(=O)[C@@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000004691507 558905202 /nfs/dbraw/zinc/90/52/02/558905202.db2.gz PYGYHKAPQYWSAV-LLVKDONJSA-N 0 0 403.485 4.723 50 5 HJBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCSc2ccc(Cl)cc21 ZINC000058714758 558929694 /nfs/dbraw/zinc/92/96/94/558929694.db2.gz VEQWJENILSYUGY-UHFFFAOYSA-N 0 0 420.921 4.947 50 5 HJBARN Cc1sc(NC(=O)c2ccccc2[N+](=O)[O-])c(C(=O)NC2CCCCC2)c1C ZINC000004750485 559048846 /nfs/dbraw/zinc/04/88/46/559048846.db2.gz RZYQDCZFEKSPOQ-UHFFFAOYSA-N 0 0 401.488 4.588 50 5 HJBARN Cc1c(Cl)c([N+](=O)[O-])cc([N+](=O)[O-])c1NCCCCNc1ccc([N+](=O)[O-])cc1 ZINC000033354425 559067684 /nfs/dbraw/zinc/06/76/84/559067684.db2.gz XMMAEMBXKMYREN-UHFFFAOYSA-N 0 0 423.813 4.677 50 5 HJBARN COc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])n2)cc1OC ZINC000011617446 559115689 /nfs/dbraw/zinc/11/56/89/559115689.db2.gz MFFMCVIZTHTNQY-UHFFFAOYSA-N 0 0 419.846 4.641 50 5 HJBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C[C@@H](c1ccc(Cl)cc1)OC2=O ZINC000011689825 559177753 /nfs/dbraw/zinc/17/77/53/559177753.db2.gz FSESSJPXLVIHGD-FQEVSTJZSA-N 0 0 422.824 4.955 50 5 HJBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C[C@@H](c1ccc(Cl)cc1)OC2=O ZINC000011690492 559178526 /nfs/dbraw/zinc/17/85/26/559178526.db2.gz WSLXIEKDCQBZHQ-FQEVSTJZSA-N 0 0 422.824 4.955 50 5 HJBARN COc1ccc(C2=NN3[C@@H](C2)c2cc([N+](=O)[O-])ccc2O[C@@H]3c2ccccc2)cc1 ZINC000004871967 559194504 /nfs/dbraw/zinc/19/45/04/559194504.db2.gz UCOVRFHFHHQFHH-JTHBVZDNSA-N 0 0 401.422 4.846 50 5 HJBARN O=[N+]([O-])c1ccc2nc(/C=C\c3cc4ccccc4nc3N3CCOCC3)sc2c1 ZINC000033528066 559203177 /nfs/dbraw/zinc/20/31/77/559203177.db2.gz BLBAMLPKIKENLM-YVMONPNESA-N 0 0 418.478 4.760 50 5 HJBARN O=C1OC(c2ccccc2)=N/C1=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000005052422 559237362 /nfs/dbraw/zinc/23/73/62/559237362.db2.gz NIUAUVLBHVNSDQ-ZHZULCJRSA-N 0 0 400.390 4.518 50 5 HJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000005073401 559240683 /nfs/dbraw/zinc/24/06/83/559240683.db2.gz OSXHSNVEUVHGQV-UHFFFAOYSA-N 0 0 408.254 4.893 50 5 HJBARN COc1ccc(-c2coc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3c2=O)cc1 ZINC000005142186 559251843 /nfs/dbraw/zinc/25/18/43/559251843.db2.gz RMVVNDSCURLJKC-UHFFFAOYSA-N 0 0 403.390 4.956 50 5 biogenic HJBARN Cc1c(C(=O)N2CCN=C2SCc2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000011757726 559257752 /nfs/dbraw/zinc/25/77/52/559257752.db2.gz QBWPEBOTRGJWDO-UHFFFAOYSA-N 0 0 423.416 4.667 50 5 HJBARN O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000011759958 559258154 /nfs/dbraw/zinc/25/81/54/559258154.db2.gz QYBRIICZJQEEPD-UHFFFAOYSA-N 0 0 405.410 4.752 50 5 HJBARN O=c1oc2c(Cl)cc(Cl)cc2cc1-c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000005171548 559287730 /nfs/dbraw/zinc/28/77/30/559287730.db2.gz CNABWMJRYZDOFW-UHFFFAOYSA-N 0 0 404.165 4.725 50 5 HJBARN Cc1ccc2nc(N(Cc3ccccn3)C(=O)c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000005265021 560553420 /nfs/dbraw/zinc/55/34/20/560553420.db2.gz PQBPNPPEOXJLIA-UHFFFAOYSA-N 0 0 404.451 4.755 50 5 HJBARN COc1ccccc1Nc1nc(Nc2ccc(F)c(Cl)c2)nc(C)c1[N+](=O)[O-] ZINC000005394133 560583153 /nfs/dbraw/zinc/58/31/53/560583153.db2.gz RBXBVRZMYJKENV-UHFFFAOYSA-N 0 0 403.801 4.982 50 5 HJBARN Cc1ccccc1OCC(=O)Nc1cc(Oc2cncc(Cl)c2)cc([N+](=O)[O-])c1 ZINC000001504777 560583351 /nfs/dbraw/zinc/58/33/51/560583351.db2.gz RAKWNUOLSMDLHX-UHFFFAOYSA-N 0 0 413.817 4.761 50 5 HJBARN CSc1nc2n(n1)[C@@H](c1cc([N+](=O)[O-])ccc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000102674474 560819566 /nfs/dbraw/zinc/81/95/66/560819566.db2.gz PNWLOOBZUMCBMF-HNNXBMFYSA-N 0 0 419.894 4.869 50 5 HJBARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1c1ccc(N[C@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000102783650 560827450 /nfs/dbraw/zinc/82/74/50/560827450.db2.gz OIACWXOBHWFCLW-ZCNNSNEGSA-N 0 0 417.465 4.540 50 5 HJBARN CC[C@H](NC(=O)c1cccc(Cn2cc([N+](=O)[O-])cn2)c1)c1ccc(C(C)C)cc1 ZINC000000653588 568457954 /nfs/dbraw/zinc/45/79/54/568457954.db2.gz ZKXPVBFMXGXDAG-QFIPXVFZSA-N 0 0 406.486 4.844 50 5 HJBARN COc1cccc2c1O[C@@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c3ccccc3)C[C@@H]21 ZINC000216139742 568463431 /nfs/dbraw/zinc/46/34/31/568463431.db2.gz CWRAWRAZZSEDNZ-REWPJTCUSA-N 0 0 401.422 4.846 50 5 HJBARN COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Br)cc1[N+](=O)[O-] ZINC000000753034 568470591 /nfs/dbraw/zinc/47/05/91/568470591.db2.gz NLIWSBIHMQYOBV-UHFFFAOYSA-N 0 0 419.153 4.637 50 5 HJBARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000024871132 568473538 /nfs/dbraw/zinc/47/35/38/568473538.db2.gz HTOGDUNFZRNFQD-CYBMUJFWSA-N 0 0 403.504 4.783 50 5 HJBARN O=C(N[C@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000000837037 568514999 /nfs/dbraw/zinc/51/49/99/568514999.db2.gz ZOCOVEBWTNLAMH-AWEZNQCLSA-N 0 0 423.083 4.786 50 5 HJBARN O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)c1cccc([N+](=O)[O-])c1 ZINC000000848277 568553014 /nfs/dbraw/zinc/55/30/14/568553014.db2.gz LGWUZRGKZXKGKW-UHFFFAOYSA-N 0 0 418.272 4.657 50 5 HJBARN CC[C@H](C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096276021 568714736 /nfs/dbraw/zinc/71/47/36/568714736.db2.gz CGTMSSSFRKEVCU-YVEFUNNKSA-N 0 0 414.849 4.815 50 5 HJBARN Cc1nn(C(=O)COc2ccccc2[N+](=O)[O-])c(C)c1Sc1ccc(Cl)cc1 ZINC000000947647 568752914 /nfs/dbraw/zinc/75/29/14/568752914.db2.gz NHLLXSHOYVOELI-UHFFFAOYSA-N 0 0 417.874 4.932 50 5 HJBARN O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(OCc2ccccc2)cc1 ZINC000000976004 568758928 /nfs/dbraw/zinc/75/89/28/568758928.db2.gz CBYFVYZKWSCPRC-QFIPXVFZSA-N 0 0 406.463 4.952 50 5 HJBARN COc1cccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000001052612 568765057 /nfs/dbraw/zinc/76/50/57/568765057.db2.gz HQDMINBIRYDSRA-UHFFFAOYSA-N 0 0 416.389 4.833 50 5 HJBARN COC(=O)c1ccc(COC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000001108325 568768528 /nfs/dbraw/zinc/76/85/28/568768528.db2.gz ORTKCRMJCFVWGE-UHFFFAOYSA-N 0 0 407.378 4.531 50 5 HJBARN COc1ccc(C(=O)[C@@H](C)Oc2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)cc1 ZINC000001109105 568768787 /nfs/dbraw/zinc/76/87/87/568768787.db2.gz VROVCVCAVSELOC-OAHLLOKOSA-N 0 0 420.421 4.506 50 5 HJBARN COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000001110336 568770351 /nfs/dbraw/zinc/77/03/51/568770351.db2.gz ICQIEQXVAQOKFO-UHFFFAOYSA-N 0 0 414.421 4.708 50 5 HJBARN Cc1c(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cccc1[N+](=O)[O-] ZINC000001111665 568770555 /nfs/dbraw/zinc/77/05/55/568770555.db2.gz CKQLORSBEQBTFE-UHFFFAOYSA-N 0 0 407.817 4.543 50 5 HJBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1-c1nc2ccccc2s1 ZINC000001115258 568770846 /nfs/dbraw/zinc/77/08/46/568770846.db2.gz UZZARAYDQWLAOF-UHFFFAOYSA-N 0 0 405.435 4.889 50 5 HJBARN O=C(OCc1ccccc1[N+](=O)[O-])c1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000001125495 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COc1ccc(Oc2ccc(CNc3cccc(-c4nc[nH]n4)c3)cc2[N+](=O)[O-])cc1 ZINC000083950060 568927353 /nfs/dbraw/zinc/92/73/53/568927353.db2.gz OORCAGIXKSOBFB-UHFFFAOYSA-N 0 0 417.425 4.793 50 5 HJBARN CCc1ccc2oc(-c3cccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)nc2c1 ZINC000001413919 568929508 /nfs/dbraw/zinc/92/95/08/568929508.db2.gz JCBKLHRJUGUESC-UHFFFAOYSA-N 0 0 417.421 4.983 50 5 HJBARN Cc1c(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000012748494 568934905 /nfs/dbraw/zinc/93/49/05/568934905.db2.gz HERHUAYHAGSVCG-UHFFFAOYSA-N 0 0 407.348 4.523 50 5 HJBARN CCSc1ccc(C(=O)N2CCc3cc(Br)ccc32)cc1[N+](=O)[O-] ZINC000001438261 568940024 /nfs/dbraw/zinc/94/00/24/568940024.db2.gz WDFYDOQSZDVHCU-UHFFFAOYSA-N 0 0 407.289 4.672 50 5 HJBARN O=C(c1cccs1)[C@@H]1[C@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N21 ZINC000004168883 568947336 /nfs/dbraw/zinc/94/73/36/568947336.db2.gz IVXTXTKDOXPLHH-FKVLARQCSA-N 0 0 402.475 4.644 50 5 HJBARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CSC3)c(C)c1 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COc1ccc([N+](=O)[O-])cc1N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1F ZINC000008604693 571091654 /nfs/dbraw/zinc/09/16/54/571091654.db2.gz JTFTVTOQVZHRGH-HXUWFJFHSA-N 0 0 420.400 4.994 50 5 HJBARN O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000008685266 571101662 /nfs/dbraw/zinc/10/16/62/571101662.db2.gz SMVWOJJNEORHHV-IBGZPJMESA-N 0 0 420.856 4.838 50 5 HJBARN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCC1(c2ccccc2)CC1 ZINC000040034337 571141399 /nfs/dbraw/zinc/14/13/99/571141399.db2.gz KCMXUTBLVPJOCB-UHFFFAOYSA-N 0 0 410.417 4.554 50 5 HJBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)/C=C/c1ccc(OCc2ccccn2)cc1 ZINC000040079667 571150637 /nfs/dbraw/zinc/15/06/37/571150637.db2.gz GGOVEOLYWVHQIX-GPZRYRNASA-N 0 0 417.465 4.802 50 5 HJBARN Cc1cccc(CN(Cc2ccco2)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000040070264 571151362 /nfs/dbraw/zinc/15/13/62/571151362.db2.gz MFYYQZOEIKSUCD-UHFFFAOYSA-N 0 0 405.454 4.913 50 5 HJBARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000040103591 571164162 /nfs/dbraw/zinc/16/41/62/571164162.db2.gz MDAKLWDNXIUCFZ-UHFFFAOYSA-N 0 0 414.465 4.520 50 5 HJBARN O=C(c1ccccc1)c1ccc(Oc2ccc(N3CCOC3=O)cc2)c([N+](=O)[O-])c1 ZINC000040119611 571175921 /nfs/dbraw/zinc/17/59/21/571175921.db2.gz ZUISIXYNLRNOJL-UHFFFAOYSA-N 0 0 404.378 4.575 50 5 HJBARN O=[N+]([O-])c1cccc(OCCSc2nnc(-c3ccccc3Br)o2)c1 ZINC000040127364 571178977 /nfs/dbraw/zinc/17/89/77/571178977.db2.gz YSFURIRMPKQREX-UHFFFAOYSA-N 0 0 422.260 4.578 50 5 HJBARN Cc1c(CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000040127216 571178998 /nfs/dbraw/zinc/17/89/98/571178998.db2.gz DHSXNIXSSQPTCG-HNNXBMFYSA-N 0 0 416.528 4.695 50 5 HJBARN C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000009466030 571261016 /nfs/dbraw/zinc/26/10/16/571261016.db2.gz AETVRBJWWHJQCP-SNVBAGLBSA-N 0 0 422.388 4.676 50 5 HJBARN O=C(Cc1ccc(F)cc1)N(Cc1ccccn1)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000010186772 571295978 /nfs/dbraw/zinc/29/59/78/571295978.db2.gz YJAIZJYFRPRELC-UHFFFAOYSA-N 0 0 422.441 4.515 50 5 HJBARN CCn1c(NC(=O)c2ccc(COc3ccc(C)cc3[N+](=O)[O-])o2)nc2ccccc21 ZINC000000657217 571310207 /nfs/dbraw/zinc/31/02/07/571310207.db2.gz USJICSSBSOLIHY-UHFFFAOYSA-N 0 0 420.425 4.697 50 5 aggregator HJBARN O=C(Nc1ccc(N2CCCCC2)cc1N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000004998918 132297998 /nfs/dbraw/zinc/29/79/98/132297998.db2.gz PQNGCJUWIDJAAD-UHFFFAOYSA-N 0 0 408.502 4.828 50 5 HJBARN O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000005051400 132299658 /nfs/dbraw/zinc/29/96/58/132299658.db2.gz NNXNUEWJLAVTBM-UHFFFAOYSA-N 0 0 417.421 4.583 50 5 HJBARN C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)c(Cl)c1 ZINC000012512309 132361259 /nfs/dbraw/zinc/36/12/59/132361259.db2.gz OHUTVTBTETWICX-ZDUSSCGKSA-N 0 0 422.312 4.995 50 5 HJBARN C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1Cl ZINC000012511650 132361265 /nfs/dbraw/zinc/36/12/65/132361265.db2.gz PZYDZNCVEOPONI-ZDUSSCGKSA-N 0 0 422.312 4.995 50 5 HJBARN CCOC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1 ZINC000044087604 520813225 /nfs/dbraw/zinc/81/32/25/520813225.db2.gz LCRXXUBCBHVMGV-UHFFFAOYSA-N 0 0 417.874 4.756 50 5 HJBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2o1)Nc1nc2cc(Cl)ccc2s1 ZINC000045068080 527059324 /nfs/dbraw/zinc/05/93/24/527059324.db2.gz SRCKWIWCFQYVIT-UHFFFAOYSA-N 0 0 420.859 4.730 50 5 HJBARN CC(C)(C)c1ccc(OC(=O)COc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000005839469 557677143 /nfs/dbraw/zinc/67/71/43/557677143.db2.gz WZYALHJJSUYJFJ-UHFFFAOYSA-N 0 0 408.248 4.639 50 5 HJBARN COc1cccc2cc(-c3csc(NC(=O)c4ccc([N+](=O)[O-])s4)n3)oc21 ZINC000010747731 558436064 /nfs/dbraw/zinc/43/60/64/558436064.db2.gz AEKGSGMNGGQUNW-UHFFFAOYSA-N 0 0 401.425 4.787 50 5 HJBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(Cc1ccco1)c1ccccc1 ZINC000024832207 558615082 /nfs/dbraw/zinc/61/50/82/558615082.db2.gz IUNXQNDJEVFGON-UHFFFAOYSA-N 0 0 408.457 4.981 50 5 HJBARN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000072232853 558632011 /nfs/dbraw/zinc/63/20/11/558632011.db2.gz YEYPKNMXPKXJLS-UHFFFAOYSA-N 0 0 418.497 4.511 50 5 HJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc2c(Br)cccc12 ZINC000004520409 558638409 /nfs/dbraw/zinc/63/84/09/558638409.db2.gz CUJVCOWYBQJJJM-UHFFFAOYSA-N 0 0 401.216 4.771 50 5 HJBARN CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc2c1CC[C@H](CC)C2 ZINC000004577035 558740517 /nfs/dbraw/zinc/74/05/17/558740517.db2.gz SWQZUTJVKKCBHN-ZDUSSCGKSA-N 0 0 416.499 4.909 50 5 HJBARN O=C1S/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000013546617 558842362 /nfs/dbraw/zinc/84/23/62/558842362.db2.gz KWDDIOGVLWCAGG-OQLLNIDSSA-N 0 0 408.357 4.850 50 5 HJBARN COc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o/c2=N\c2ccccc2)cc1 ZINC000004603946 558847376 /nfs/dbraw/zinc/84/73/76/558847376.db2.gz CJLJPLLHHOOHEO-BZZOAKBMSA-N 0 0 415.405 4.834 50 5 HJBARN O=[N+]([O-])c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000013811476 558884297 /nfs/dbraw/zinc/88/42/97/558884297.db2.gz UEXIVPKUBVSPOF-WMZHIEFXSA-N 0 0 415.405 4.566 50 5 HJBARN CCN1C(=O)S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O ZINC000004688015 558893689 /nfs/dbraw/zinc/89/36/89/558893689.db2.gz QVQWGQHPSGQYGK-YBFXNURJSA-N 0 0 407.451 4.654 50 5 HJBARN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000004701926 558906618 /nfs/dbraw/zinc/90/66/18/558906618.db2.gz XFKVYYBCVCXBTJ-UHFFFAOYSA-N 0 0 407.879 4.554 50 5 HJBARN Cc1cc([N+](=O)[O-])ccc1N[C@@H](NC(=O)c1cccs1)C(Cl)(Cl)Cl ZINC000004797692 559065131 /nfs/dbraw/zinc/06/51/31/559065131.db2.gz WTFNZZDKRWDNPJ-ZDUSSCGKSA-N 0 0 408.694 4.503 50 5 HJBARN Cc1ccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2cccc(C)c2)cc1 ZINC000004819579 559069140 /nfs/dbraw/zinc/06/91/40/559069140.db2.gz AALQHKMSKRSZSS-PXLXIMEGSA-N 0 0 415.449 4.621 50 5 HJBARN COC(=O)c1c(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)sc2c1CCCCCC2 ZINC000033456123 559194109 /nfs/dbraw/zinc/19/41/09/559194109.db2.gz LBRNVHKBRWZWTN-RAXLEYEMSA-N 0 0 414.483 4.754 50 5 HJBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1C(=S)C(c2ccccc2)=NC12CCCC2 ZINC000004892192 559198660 /nfs/dbraw/zinc/19/86/60/559198660.db2.gz CKLORFZZMRKNOU-UHFFFAOYSA-N 0 0 413.886 4.791 50 5 HJBARN O=c1c2ccccc2nc(/C=C/c2c[nH]c3ccccc23)n1-c1cccc([N+](=O)[O-])c1 ZINC000004950978 559215655 /nfs/dbraw/zinc/21/56/55/559215655.db2.gz OVSSVLZLAZRKNG-OUKQBFOZSA-N 0 0 408.417 4.946 50 5 HJBARN O=C(COC(=O)c1c2ccccc2cc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000005017796 559228702 /nfs/dbraw/zinc/22/87/02/559228702.db2.gz XLLAJOHJKNVACK-UHFFFAOYSA-N 0 0 400.390 4.697 50 5 HJBARN COc1cc2c(cc1OC)C(c1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)=NCC2 ZINC000005041209 559235464 /nfs/dbraw/zinc/23/54/64/559235464.db2.gz PBJYQIQFJOPCDL-UHFFFAOYSA-N 0 0 412.829 4.919 50 5 HJBARN COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2[N+](=O)[O-])c1 ZINC000248266566 559269450 /nfs/dbraw/zinc/26/94/50/559269450.db2.gz ZNPMGNOOXNMBEG-GMAHTHKFSA-N 0 0 401.422 4.846 50 5 HJBARN CC[C@@H](C)n1cnc2c(c3nc4ccccc4nc3n2-c2ccc(Cl)cc2)c1=O ZINC000005215555 560543129 /nfs/dbraw/zinc/54/31/29/560543129.db2.gz TWZVYQXRLOHSCE-CYBMUJFWSA-N 0 0 403.873 4.908 50 5 HJBARN COc1ccc2nc3ccccc3nc2c1NC(=O)c1ccc(Br)cc1 ZINC000005259632 560553692 /nfs/dbraw/zinc/55/36/92/560553692.db2.gz LHEJISHZTQUAOA-UHFFFAOYSA-N 0 0 408.255 4.806 50 5 HJBARN Cc1ccc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2-c2ccc(C)cc2)cc1 ZINC000005450854 560590124 /nfs/dbraw/zinc/59/01/24/560590124.db2.gz ZYLLOSWGYDIGBA-UHFFFAOYSA-N 0 0 407.473 4.521 50 5 HJBARN Cc1cccc2c(=O)c(-c3ccccc3)c(NC(=O)c3ccc([N+](=O)[O-])cc3)oc12 ZINC000101386662 560793900 /nfs/dbraw/zinc/79/39/00/560793900.db2.gz YYOOWWADMLWCBX-UHFFFAOYSA-N 0 0 400.390 4.929 50 5 HJBARN CCCCn1c(CN2CCCC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000046007491 568423646 /nfs/dbraw/zinc/42/36/46/568423646.db2.gz VHLZQBFPBWBBOA-UHFFFAOYSA-N 0 0 421.501 4.593 50 5 HJBARN Cc1nc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)sc1-c1ccccc1 ZINC000048310120 568436487 /nfs/dbraw/zinc/43/64/87/568436487.db2.gz LMLXLFQNSPSEIG-UHFFFAOYSA-N 0 0 408.483 4.879 50 5 HJBARN Cc1sc(NC(=O)c2csc([N+](=O)[O-])c2)nc1-c1ccc(OC(F)F)cc1 ZINC000048344149 568440771 /nfs/dbraw/zinc/44/07/71/568440771.db2.gz QUVMBFAHDLISHB-UHFFFAOYSA-N 0 0 411.411 4.942 50 5 HJBARN CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)cc1[N+](=O)[O-] ZINC000000830106 568503395 /nfs/dbraw/zinc/50/33/95/568503395.db2.gz KDONUWGBYDUKLB-UHFFFAOYSA-N 0 0 419.437 4.807 50 5 HJBARN CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCCC2 ZINC000000840352 568577181 /nfs/dbraw/zinc/57/71/81/568577181.db2.gz KBYPLXYEYWOXAM-UHFFFAOYSA-N 0 0 408.863 4.618 50 5 HJBARN O=C(c1cc(N[C@H]2CCCC[C@H]2OC2CCCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000095444760 568611650 /nfs/dbraw/zinc/61/16/50/568611650.db2.gz DTNPJAWCWQOXGV-PZJWPPBQSA-N 0 0 401.507 4.513 50 5 HJBARN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)c1cc([N+](=O)[O-])ccc1Cl ZINC000020847222 568644472 /nfs/dbraw/zinc/64/44/72/568644472.db2.gz SCRWNBNFHSQWGR-UHFFFAOYSA-N 0 0 410.238 4.927 50 5 HJBARN CC[C@@H](C)N(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)/C=C/c1ccccc1 ZINC000096277000 568715541 /nfs/dbraw/zinc/71/55/41/568715541.db2.gz IHAXWYZDSDMXQM-GZKZCVOOSA-N 0 0 420.469 4.528 50 5 HJBARN CC(C)CC(=O)N(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](C)c1ccccc1 ZINC000096278930 568717208 /nfs/dbraw/zinc/71/72/08/568717208.db2.gz RAEGDLHRBVIVJT-KRWDZBQOSA-N 0 0 422.485 4.823 50 5 HJBARN CC(C)(C)CC(=O)N(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000096292167 568720959 /nfs/dbraw/zinc/72/09/59/568720959.db2.gz GOPLIRPLBLLOGM-UHFFFAOYSA-N 0 0 422.485 4.652 50 5 HJBARN Cc1cccc(N2CCN(Cn3c4ccc([N+](=O)[O-])cc4sc3=S)CC2)c1C ZINC000025158978 568757085 /nfs/dbraw/zinc/75/70/85/568757085.db2.gz BXZQEFOBIAHPAA-UHFFFAOYSA-N 0 0 414.556 4.737 50 5 HJBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnnn1-c1cccc2ccccc21 ZINC000001031087 568764085 /nfs/dbraw/zinc/76/40/85/568764085.db2.gz YPPDSJSTSKMFKJ-UHFFFAOYSA-N 0 0 417.372 4.894 50 5 HJBARN CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc2c1CC[C@H](CC)C2 ZINC000001088406 568767759 /nfs/dbraw/zinc/76/77/59/568767759.db2.gz SYDWONUKSYFJFG-ZDUSSCGKSA-N 0 0 416.499 4.909 50 5 HJBARN COc1ccc(C(=O)[C@H](C)Oc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000001108875 568768622 /nfs/dbraw/zinc/76/86/22/568768622.db2.gz ZBSDRBNHOLDLMU-HNNXBMFYSA-N 0 0 420.421 4.506 50 5 aggregator HJBARN O=C(Nc1cc([N+](=O)[O-])cc2oc(-c3ccccc3)cc21)c1ccc2c(c1)OCO2 ZINC000001089598 568769102 /nfs/dbraw/zinc/76/91/02/568769102.db2.gz GEIYUQTYQUFORQ-UHFFFAOYSA-N 0 0 402.362 4.989 50 5 HJBARN CCc1sc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000001124373 568771375 /nfs/dbraw/zinc/77/13/75/568771375.db2.gz HTIROOJMFAAMOC-UHFFFAOYSA-N 0 0 413.455 4.550 50 5 HJBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000001146477 568772524 /nfs/dbraw/zinc/77/25/24/568772524.db2.gz PYCXDVDPSMHHCG-UHFFFAOYSA-N 0 0 405.435 4.889 50 5 HJBARN C[C@@H]1CCc2c(sc3nc(-c4ccc(-c5cccc([N+](=O)[O-])c5)o4)[nH]c(=O)c23)C1 ZINC000001137494 568773540 /nfs/dbraw/zinc/77/35/40/568773540.db2.gz XZRZTEHRNSVFAV-LLVKDONJSA-N 0 0 407.451 4.945 50 5 HJBARN Cc1cc(OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc(C)c1Br ZINC000001159825 568774443 /nfs/dbraw/zinc/77/44/43/568774443.db2.gz RRAILFIXAVRINE-UHFFFAOYSA-N 0 0 404.220 4.603 50 5 HJBARN Cc1ccccc1OCC(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001167157 568775467 /nfs/dbraw/zinc/77/54/67/568775467.db2.gz NYDJTIZVJWLHLC-UHFFFAOYSA-N 0 0 421.405 4.500 50 5 HJBARN O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000002844979 568812821 /nfs/dbraw/zinc/81/28/21/568812821.db2.gz HKWYZLGQMVQYPR-BKUYFWCQSA-N 0 0 418.380 4.657 50 5 HJBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000002859609 568813300 /nfs/dbraw/zinc/81/33/00/568813300.db2.gz ACOBGGOFXRPBSE-UHFFFAOYSA-N 0 0 401.378 4.669 50 5 HJBARN CCCCSc1nnc2c(n1)O[C@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1-2 ZINC000002920507 568816735 /nfs/dbraw/zinc/81/67/35/568816735.db2.gz GIUZSAGYAHXZCT-GOSISDBHSA-N 0 0 409.471 4.842 50 5 HJBARN O=C1OC(c2cccs2)=N/C1=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000001193150 568822879 /nfs/dbraw/zinc/82/28/79/568822879.db2.gz PCHMLRKJTHSJQF-ATVHPVEESA-N 0 0 406.419 4.580 50 5 HJBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1-c1cc2ccccc2oc1=O ZINC000001208367 568823397 /nfs/dbraw/zinc/82/33/97/568823397.db2.gz SUXGKVROIQAHOL-UHFFFAOYSA-N 0 0 400.390 4.929 50 5 HJBARN CCOc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)cc1[N+](=O)[O-] ZINC000001207501 568823414 /nfs/dbraw/zinc/82/34/14/568823414.db2.gz VZCQKZBGOKLHAO-UHFFFAOYSA-N 0 0 418.409 4.757 50 5 HJBARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000001206967 568823429 /nfs/dbraw/zinc/82/34/29/568823429.db2.gz MERNOVKXELXNRY-UHFFFAOYSA-N 0 0 403.394 4.729 50 5 HJBARN O=C(Nc1ccccc1OCC(F)(F)C(F)F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001211683 568824566 /nfs/dbraw/zinc/82/45/66/568824566.db2.gz AWKHKHJAHJJKKG-UHFFFAOYSA-N 0 0 406.719 4.780 50 5 HJBARN O=[N+]([O-])c1cccc(-c2noc(COc3ccc(Cl)cc3Br)n2)c1 ZINC000001212615 568824669 /nfs/dbraw/zinc/82/46/69/568824669.db2.gz PXVDOEDZCLUKRS-UHFFFAOYSA-N 0 0 410.611 4.640 50 5 HJBARN O=C(Oc1ccc(C(=S)N2CCCCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005862682 568826700 /nfs/dbraw/zinc/82/67/00/568826700.db2.gz KEDBICKDFXBKKY-UHFFFAOYSA-N 0 0 404.875 4.629 50 5 HJBARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000002951580 568828925 /nfs/dbraw/zinc/82/89/25/568828925.db2.gz KFUAATYNKUOLID-UHFFFAOYSA-N 0 0 402.362 4.746 50 5 HJBARN CCN(Cc1ccccc1)C(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12 ZINC000002965626 568830891 /nfs/dbraw/zinc/83/08/91/568830891.db2.gz INCUVLFNUDTYOM-UHFFFAOYSA-N 0 0 407.473 4.663 50 5 HJBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000005948874 568831860 /nfs/dbraw/zinc/83/18/60/568831860.db2.gz UCRFYVXZNWYTSK-UHFFFAOYSA-N 0 0 413.389 4.791 50 5 HJBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000006017266 568835271 /nfs/dbraw/zinc/83/52/71/568835271.db2.gz AJGJAGLFNXHJDB-TWLJRWAQSA-N 0 0 412.449 4.585 50 5 HJBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)Oc1ccccc1C(=O)OCc1ccccc1 ZINC000003086131 568854332 /nfs/dbraw/zinc/85/43/32/568854332.db2.gz PJINSSAAHMJHMD-UHFFFAOYSA-N 0 0 410.357 4.702 50 5 HJBARN COc1ccc(OC)c(NC(=O)c2sccc2Oc2ccccc2[N+](=O)[O-])c1 ZINC000003125659 568857092 /nfs/dbraw/zinc/85/70/92/568857092.db2.gz UIGYLUUQXWCGNO-UHFFFAOYSA-N 0 0 400.412 4.718 50 5 HJBARN CCc1ccc(NC(=O)CCC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000030397328 568863452 /nfs/dbraw/zinc/86/34/52/568863452.db2.gz HNOGFTHNCAWXMC-UHFFFAOYSA-N 0 0 405.248 4.521 50 5 HJBARN O=C(N[C@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000001232126 568878438 /nfs/dbraw/zinc/87/84/38/568878438.db2.gz ZRSJZNPWGKPVQW-AWEZNQCLSA-N 0 0 423.083 4.786 50 5 HJBARN O=C(COC(=O)c1ccc(-c2nc3ccccc3s2)s1)c1cccc([N+](=O)[O-])c1 ZINC000003331974 568882099 /nfs/dbraw/zinc/88/20/99/568882099.db2.gz HBXJCCPQGRLDLT-UHFFFAOYSA-N 0 0 424.459 4.973 50 5 HJBARN COc1cccc(-n2c(=O)c3ccccc3nc2SCc2cccc([N+](=O)[O-])c2)c1 ZINC000003439618 568903410 /nfs/dbraw/zinc/90/34/10/568903410.db2.gz VWOXBLYZMMPGJJ-UHFFFAOYSA-N 0 0 419.462 4.595 50 5 HJBARN CC(C)(C)c1nc2cc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)ccc2[nH]1 ZINC000012740986 568929040 /nfs/dbraw/zinc/92/90/40/568929040.db2.gz CPSKENWJSRZIMC-UHFFFAOYSA-N 0 0 424.504 4.967 50 5 HJBARN COc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O ZINC000001416467 568933836 /nfs/dbraw/zinc/93/38/36/568933836.db2.gz SVYKGAPIJDEUEV-UDWIEESQSA-N 0 0 420.446 4.993 50 5 HJBARN CCc1ccc(OCCCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000004041900 568935777 /nfs/dbraw/zinc/93/57/77/568935777.db2.gz USRGYDHQEWZUJN-UHFFFAOYSA-N 0 0 407.264 4.717 50 5 HJBARN Cc1ccc2sc(N(Cc3cccnc3)C(=O)c3ccc([N+](=O)[O-])o3)nc2c1C ZINC000004273283 568957871 /nfs/dbraw/zinc/95/78/71/568957871.db2.gz WTKGGLVOTIYRDP-UHFFFAOYSA-N 0 0 408.439 4.656 50 5 HJBARN CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000015670859 568960596 /nfs/dbraw/zinc/96/05/96/568960596.db2.gz FNCOMGZKSPISGR-DEOSSOPVSA-N 0 0 415.449 4.703 50 5 HJBARN COc1ccccc1CNC(=O)c1cc(-c2ccc(Cl)cc2[N+](=O)[O-])oc1C ZINC000008021282 568968852 /nfs/dbraw/zinc/96/88/52/568968852.db2.gz ONLJGCOPWAPZQM-UHFFFAOYSA-N 0 0 400.818 4.755 50 5 HJBARN Cc1ccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] ZINC000012870257 569012422 /nfs/dbraw/zinc/01/24/22/569012422.db2.gz ZHELJIUQBSIFEL-UHFFFAOYSA-N 0 0 417.874 4.773 50 5 HJBARN O=c1oc2ccccc2c(Nc2ccc(O)c(-c3nc4ccccc4o3)c2)c1[N+](=O)[O-] ZINC000006475095 569058356 /nfs/dbraw/zinc/05/83/56/569058356.db2.gz DBYDKOFOEYBFJJ-UHFFFAOYSA-N 0 0 415.361 4.959 50 5 HJBARN CC[C@H](C)c1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 ZINC000006552782 569065356 /nfs/dbraw/zinc/06/53/56/569065356.db2.gz CFJXIOSNOGDEAE-ZDUSSCGKSA-N 0 0 411.487 4.640 50 5 HJBARN Cc1ccc(C(C)C)cc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000006598222 569069305 /nfs/dbraw/zinc/06/93/05/569069305.db2.gz ZIAWYURUSLOWJI-UHFFFAOYSA-N 0 0 418.515 4.994 50 5 HJBARN C[C@H](OC(=O)C1CCC(C(C)(C)C)CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000006763156 569114273 /nfs/dbraw/zinc/11/42/73/569114273.db2.gz QBTIZNZGFCOYTN-HSBZDZAISA-N 0 0 410.898 4.971 50 5 HJBARN Cc1cccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000036247993 569116520 /nfs/dbraw/zinc/11/65/20/569116520.db2.gz NTCKKTGEKJXZHB-UHFFFAOYSA-N 0 0 416.886 4.952 50 5 HJBARN Cc1ccc([C@H](C)N(c2ccc(F)cc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000036247679 569117107 /nfs/dbraw/zinc/11/71/07/569117107.db2.gz GAPIHEWXHSQTOY-INIZCTEOSA-N 0 0 414.458 4.999 50 5 HJBARN O=c1c2ccccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1-c1cccc(F)c1 ZINC000006837332 569149270 /nfs/dbraw/zinc/14/92/70/569149270.db2.gz MXLXKBPFXAFMIZ-UHFFFAOYSA-N 0 0 407.426 4.725 50 5 HJBARN CC(=O)Nc1nc(CSc2nc3ccccc3c3nc4ccccc4n32)cs1 ZINC000036882576 569231382 /nfs/dbraw/zinc/23/13/82/569231382.db2.gz UEMXTRBDXSKJLR-UHFFFAOYSA-N 0 0 405.508 4.743 50 5 HJBARN CCOCCCn1c(=O)c2ccccc2nc1S[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000007298569 569232620 /nfs/dbraw/zinc/23/26/20/569232620.db2.gz FSIRNLNOKZCUOG-HNNXBMFYSA-N 0 0 413.499 4.585 50 5 HJBARN Cc1ccc2nc(N(Cc3ccncc3)C(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000010254271 569254182 /nfs/dbraw/zinc/25/41/82/569254182.db2.gz FPRLNBSGCSYGKX-UHFFFAOYSA-N 0 0 404.451 4.755 50 5 HJBARN Cc1oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2c(=O)c1-c1ccccc1 ZINC000014423578 569259993 /nfs/dbraw/zinc/25/99/93/569259993.db2.gz KMGAABQFZPVWCU-UHFFFAOYSA-N 0 0 401.374 4.896 50 5 HJBARN COc1cccc(-c2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc3sc(=O)oc32)c1 ZINC000016750175 569262327 /nfs/dbraw/zinc/26/23/27/569262327.db2.gz DUJLRQAWOZFQSP-UHFFFAOYSA-N 0 0 423.402 4.658 50 5 HJBARN CC[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)OC)C1 ZINC000017093324 569274395 /nfs/dbraw/zinc/27/43/95/569274395.db2.gz MVYIPDKFCZVYMS-JTQLQIEISA-N 0 0 422.890 4.864 50 5 HJBARN Cc1cccc(C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)c1[N+](=O)[O-] ZINC000170643381 569288264 /nfs/dbraw/zinc/28/82/64/569288264.db2.gz DZHXNNOYJHXYOL-KRWDZBQOSA-N 0 0 403.276 4.937 50 5 HJBARN Cc1ccc(Cn2ccccc2=NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000252498110 569290944 /nfs/dbraw/zinc/29/09/44/569290944.db2.gz RDBVLBKJHKBAAN-UHFFFAOYSA-N 0 0 403.463 4.709 50 5 HJBARN Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCCCC3)c(-c3ccccc3F)nc21 ZINC000002197643 569294775 /nfs/dbraw/zinc/29/47/75/569294775.db2.gz LHVBDFZGOVNCEJ-UHFFFAOYSA-N 0 0 417.484 4.950 50 5 HJBARN COc1ccc([N+](=O)[O-])cc1CN1CCCn2cccc2[C@H]1c1cccc(F)c1F ZINC000037523769 569303618 /nfs/dbraw/zinc/30/36/18/569303618.db2.gz LZPWJHBMYRMDJD-JOCHJYFZSA-N 0 0 413.424 4.678 50 5 HJBARN Cc1cc(N2C(=O)c3oc4c5ccccc5ccc4c(=O)c3[C@H]2c2ccccc2)no1 ZINC000002241821 569323633 /nfs/dbraw/zinc/32/36/33/569323633.db2.gz LYZFHLBDDQBFPC-OAQYLSRUSA-N 0 0 408.413 4.992 50 5 HJBARN Cc1cc(C)cc(-n2c(-c3ccccc3)nc3c(c(=O)c4ccccc4n3C)c2=O)c1 ZINC000002339776 569376190 /nfs/dbraw/zinc/37/61/90/569376190.db2.gz NADLZISQWVZBQS-UHFFFAOYSA-N 0 0 407.473 4.521 50 5 HJBARN COc1cccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2Cc2ccco2)c1 ZINC000009288854 569392143 /nfs/dbraw/zinc/39/21/43/569392143.db2.gz DGVZRDPLRCWTHR-UHFFFAOYSA-N 0 0 422.466 4.796 50 5 HJBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1-c1nc(-c2ccccc2F)no1 ZINC000002449733 569400591 /nfs/dbraw/zinc/40/05/91/569400591.db2.gz UXILVYCFBYXOOI-UHFFFAOYSA-N 0 0 404.357 4.703 50 5 HJBARN CN(C)c1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1[N+](=O)[O-] ZINC000012634475 569402320 /nfs/dbraw/zinc/40/23/20/569402320.db2.gz GRERBJIQRWVFIJ-UHFFFAOYSA-N 0 0 401.513 4.626 50 5 HJBARN C[C@@H]1CCN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)c2ccccc2S1 ZINC000012869508 569404346 /nfs/dbraw/zinc/40/43/46/569404346.db2.gz RHNNJYQXJSRIBZ-LLVKDONJSA-N 0 0 407.289 4.888 50 5 HJBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012973217 569405533 /nfs/dbraw/zinc/40/55/33/569405533.db2.gz VFYGWLTTWQKYOE-LBPRGKRZSA-N 0 0 401.875 4.878 50 5 HJBARN CC[C@@H](C)c1ccccc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000013149809 569410058 /nfs/dbraw/zinc/41/00/58/569410058.db2.gz GYQLHYJDQLBKMH-CYBMUJFWSA-N 0 0 411.487 4.640 50 5 HJBARN CC[C@H](C)c1ccccc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000013149810 569410099 /nfs/dbraw/zinc/41/00/99/569410099.db2.gz GYQLHYJDQLBKMH-ZDUSSCGKSA-N 0 0 411.487 4.640 50 5 HJBARN COc1ccc([N+](=O)[O-])cc1N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1F ZINC000008604691 571091631 /nfs/dbraw/zinc/09/16/31/571091631.db2.gz JTFTVTOQVZHRGH-FQEVSTJZSA-N 0 0 420.400 4.994 50 5 HJBARN Cc1c(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cnn1-c1cccc(Cl)c1 ZINC000040070185 571151064 /nfs/dbraw/zinc/15/10/64/571151064.db2.gz MHYHJOVEBSOTHF-UHFFFAOYSA-N 0 0 419.268 4.668 50 5 HJBARN Cc1c(CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)cccc1[N+](=O)[O-] ZINC000040127382 571179292 /nfs/dbraw/zinc/17/92/92/571179292.db2.gz HHNAHQGZPKDYRQ-UHFFFAOYSA-N 0 0 402.785 4.910 50 5 HJBARN Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000009019584 571211923 /nfs/dbraw/zinc/21/19/23/571211923.db2.gz USSDFTXVQNPOQS-UHFFFAOYSA-N 0 0 413.433 4.592 50 5 HJBARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2[N+](=O)[O-])cc1 ZINC000245267016 571221681 /nfs/dbraw/zinc/22/16/81/571221681.db2.gz LEYCKGRFIBDZLN-GMAHTHKFSA-N 0 0 401.422 4.846 50 5 HJBARN CSc1nc2ccc3nc(NC(=O)c4ccc([N+](=O)[O-])s4)sc3c2s1 ZINC000009404742 571255207 /nfs/dbraw/zinc/25/52/07/571255207.db2.gz FAWFMUROLYYOCM-UHFFFAOYSA-N 0 0 408.511 4.850 50 5 HJBARN CCn1c2ccccc2nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000009631534 571274662 /nfs/dbraw/zinc/27/46/62/571274662.db2.gz LVDMXSKHBHPBDA-UHFFFAOYSA-N 0 0 424.404 4.714 50 5 HJBARN Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2C=C2SC(=S)NC2=O)c1 ZINC000009730556 571282886 /nfs/dbraw/zinc/28/28/86/571282886.db2.gz HXXYQAGBNXKJJY-BOPFTXTBSA-N 0 0 416.480 4.690 50 5 HJBARN Cc1cc(Br)ccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000009861246 571288656 /nfs/dbraw/zinc/28/86/56/571288656.db2.gz FUGQNVDYFFJZPR-UHFFFAOYSA-N 0 0 421.294 4.864 50 5 HJBARN CC(C)(C)c1ccc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 ZINC000004575245 132278835 /nfs/dbraw/zinc/27/88/35/132278835.db2.gz GJEVTCLSAKZALE-UHFFFAOYSA-N 0 0 401.894 4.508 50 5 HJBARN O=C1c2ccc([N+](=O)[O-])c3c2c(ccc3[N+](=O)[O-])C(=O)N1c1cccc2ccccc21 ZINC000008935085 132334174 /nfs/dbraw/zinc/33/41/74/132334174.db2.gz RXGTWGKMYGIXKY-UHFFFAOYSA-N 0 0 413.345 4.610 50 5 HJBARN C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000012549941 132363047 /nfs/dbraw/zinc/36/30/47/132363047.db2.gz LWDVOYRLNXEQGY-CQSZACIVSA-N 0 0 402.882 4.678 50 5 HJBARN COc1ccccc1O[C@@H](C)c1nc2c3sc4nc(C)cc(C)c4c3ncn2n1 ZINC000032117683 524690386 /nfs/dbraw/zinc/69/03/86/524690386.db2.gz ZGRFMNNXKLNRGH-ZDUSSCGKSA-N 0 0 405.483 4.653 50 5 HJBARN COc1ccccc1O[C@H](C)c1nc2c3sc4nc(C)cc(C)c4c3ncn2n1 ZINC000032117684 524693084 /nfs/dbraw/zinc/69/30/84/524693084.db2.gz ZGRFMNNXKLNRGH-CYBMUJFWSA-N 0 0 405.483 4.653 50 5 HJBARN C[C@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000032771503 525670305 /nfs/dbraw/zinc/67/03/05/525670305.db2.gz PIKSKSPFNNXBJE-HNNXBMFYSA-N 0 0 419.441 4.678 50 5 HJBARN Cc1cc(Br)ccc1NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000032777361 526171163 /nfs/dbraw/zinc/17/11/63/526171163.db2.gz MFNWCBQUAKIXJN-UHFFFAOYSA-N 0 0 422.260 4.538 50 5 HJBARN O=C(Nc1ccccc1)N1CCCCC[C@@H]1C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000071889360 557294964 /nfs/dbraw/zinc/29/49/64/557294964.db2.gz RYZUCYJRVCXIII-HXUWFJFHSA-N 0 0 423.517 4.683 50 5 HJBARN O=c1c2ccccc2c2nc3c4ccccc4c(=O)c3c(-c3ccc([N+](=O)[O-])cc3)c12 ZINC000002896027 557424344 /nfs/dbraw/zinc/42/43/44/557424344.db2.gz UWQDWTNMZYEVFK-UHFFFAOYSA-N 0 0 404.381 4.866 50 5 HJBARN O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)c1ccc(Br)cc1 ZINC000002994331 557438179 /nfs/dbraw/zinc/43/81/79/557438179.db2.gz RMFMVRQVBNGOTG-UHFFFAOYSA-N 0 0 409.235 4.970 50 5 HJBARN O=c1c2c3nc4ccccc4nc3n(CCc3ccccc3)c2ncn1C1CCCC1 ZINC000004858563 557607405 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CCOC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CC[C@H](C)C2 ZINC000000687047 568461350 /nfs/dbraw/zinc/46/13/50/568461350.db2.gz PCILEUYYNJVEEN-JTQLQIEISA-N 0 0 422.890 4.864 50 5 HJBARN CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc2c1CC[C@H](C)C2 ZINC000000687061 568461391 /nfs/dbraw/zinc/46/13/91/568461391.db2.gz BANLJESPLPQYPH-NSHDSACASA-N 0 0 402.472 4.519 50 5 HJBARN Cc1ccc(C)c(N[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c1 ZINC000000837013 568515061 /nfs/dbraw/zinc/51/50/61/568515061.db2.gz POIOSNSDEAGNPI-MRXNPFEDSA-N 0 0 416.692 4.750 50 5 HJBARN O=C(N[C@H](CO)c1ccccc1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000095456343 568617756 /nfs/dbraw/zinc/61/77/56/568617756.db2.gz FNWSJZZCVFLEDK-GOSISDBHSA-N 0 0 412.829 4.504 50 5 HJBARN CC(=O)c1ccc(Sc2nnc(-c3ccco3)n2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000000867248 568713672 /nfs/dbraw/zinc/71/36/72/568713672.db2.gz FHCXYQLHVDFHMS-UHFFFAOYSA-N 0 0 406.423 4.789 50 5 HJBARN O=C(Nc1nnc(SCc2cccc(Cl)c2F)s1)c1cccc([N+](=O)[O-])c1 ZINC000096280184 568717494 /nfs/dbraw/zinc/71/74/94/568717494.db2.gz JRRXXJRNWLVNMB-UHFFFAOYSA-N 0 0 424.866 4.783 50 5 HJBARN Cc1ccc(-c2oc3ccccc3c(=O)c2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000937008 568750858 /nfs/dbraw/zinc/75/08/58/568750858.db2.gz NHCAICJTLRTLCE-UHFFFAOYSA-N 0 0 401.374 4.896 50 5 HJBARN CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)c1cccc(F)c1 ZINC000000937865 568750905 /nfs/dbraw/zinc/75/09/05/568750905.db2.gz QXSADXTYOUCLHE-UHFFFAOYSA-N 0 0 414.414 4.891 50 5 HJBARN Cc1ccc(C)c(N[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)c1 ZINC000000971157 568758875 /nfs/dbraw/zinc/75/88/75/568758875.db2.gz AKBOHCFFEVFRSD-INIZCTEOSA-N 0 0 416.692 4.750 50 5 HJBARN Cc1ccc2c(c1)c1c3n2CCCN(Cc2cc4c(cc2[N+](=O)[O-])OCO4)[C@H]3CCC1 ZINC000022078049 568764556 /nfs/dbraw/zinc/76/45/56/568764556.db2.gz BNPNRADZMAVNJP-FQEVSTJZSA-N 0 0 419.481 4.870 50 5 HJBARN O=[N+]([O-])c1ccc(CSc2nnc(COc3ccccc3)n2Cc2ccco2)cc1 ZINC000001077001 568765361 /nfs/dbraw/zinc/76/53/61/568765361.db2.gz 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CCCCOc1ccccc1/C=C1/N=C(c2cc([N+](=O)[O-])ccc2Cl)OC1=O ZINC000002839655 568812620 /nfs/dbraw/zinc/81/26/20/568812620.db2.gz UTHPBXQZHKKZND-GZTJUZNOSA-N 0 0 400.818 4.772 50 5 HJBARN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2c1 ZINC000002861955 568813559 /nfs/dbraw/zinc/81/35/59/568813559.db2.gz HMUKXWSPORXRQQ-UHFFFAOYSA-N 0 0 422.422 4.675 50 5 HJBARN O=C(Nc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000002881148 568814264 /nfs/dbraw/zinc/81/42/64/568814264.db2.gz OKHVYXRFZORIEQ-UHFFFAOYSA-N 0 0 410.813 4.858 50 5 HJBARN Cc1ccc(C(=O)Nc2ccc3nn(-c4ccc(Cl)cc4)nc3c2)cc1[N+](=O)[O-] ZINC000001207313 568823390 /nfs/dbraw/zinc/82/33/90/568823390.db2.gz JQBZQFNQNOREND-UHFFFAOYSA-N 0 0 407.817 4.543 50 5 HJBARN COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1[N+](=O)[O-] ZINC000001209894 568823795 /nfs/dbraw/zinc/82/37/95/568823795.db2.gz JYYPMDUBGVFBEU-UHFFFAOYSA-N 0 0 424.800 4.712 50 5 HJBARN Cc1c([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000029292580 568824163 /nfs/dbraw/zinc/82/41/63/568824163.db2.gz BIIVOKITJIAIRU-LBPRGKRZSA-N 0 0 418.375 4.599 50 5 HJBARN O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCSCc1ccc(Cl)cc1 ZINC000002985265 568833143 /nfs/dbraw/zinc/83/31/43/568833143.db2.gz LOWBBNJYXFJVDK-UHFFFAOYSA-N 0 0 410.948 4.531 50 5 HJBARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000003218409 568847058 /nfs/dbraw/zinc/84/70/58/568847058.db2.gz TVOCYKZMHYTCDF-UHFFFAOYSA-N 0 0 402.453 4.814 50 5 HJBARN COc1ccccc1[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nccn1C ZINC000012550876 568852869 /nfs/dbraw/zinc/85/28/69/568852869.db2.gz PFBJAQGLLXPUQR-KRWDZBQOSA-N 0 0 406.364 4.557 50 5 HJBARN CC(=O)Nc1ccc(Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000003134746 568857788 /nfs/dbraw/zinc/85/77/88/568857788.db2.gz YWPLWRIDBARTQR-UHFFFAOYSA-N 0 0 419.699 4.926 50 5 HJBARN O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)nc1 ZINC000030520203 568869101 /nfs/dbraw/zinc/86/91/01/568869101.db2.gz QMWHVNXUSGLNAY-UHFFFAOYSA-N 0 0 414.918 4.694 50 5 HJBARN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(Cc1ccco1)c1cccc(F)c1 ZINC000058065415 568881881 /nfs/dbraw/zinc/88/18/81/568881881.db2.gz MEXLFCAUVFLCQW-UHFFFAOYSA-N 0 0 423.444 4.777 50 5 HJBARN O=[N+]([O-])c1cc(CSc2nn(-c3ccccc3)c(=S)s2)c2c(c1)COCO2 ZINC000003441110 568903889 /nfs/dbraw/zinc/90/38/89/568903889.db2.gz QRGDFXAGEUBTGR-UHFFFAOYSA-N 0 0 419.509 4.730 50 5 HJBARN O=c1c2ccccc2nc(SCc2ccccc2F)n1-c1ccc([N+](=O)[O-])cc1 ZINC000003442722 568904084 /nfs/dbraw/zinc/90/40/84/568904084.db2.gz YULPFOUHKPPZKV-UHFFFAOYSA-N 0 0 407.426 4.725 50 5 HJBARN Cc1sc2nc(CN3CCC(C)CC3)nc(Oc3cccnc3[N+](=O)[O-])c2c1C ZINC000003444826 568904336 /nfs/dbraw/zinc/90/43/36/568904336.db2.gz GAVQWILNHPISKG-UHFFFAOYSA-N 0 0 413.503 4.636 50 5 HJBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000004014303 568933522 /nfs/dbraw/zinc/93/35/22/568933522.db2.gz BFZHFERYFICTHP-UHFFFAOYSA-N 0 0 406.398 4.676 50 5 HJBARN Cc1ccc([N+](=O)[O-])c(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)c1C ZINC000012747797 568933999 /nfs/dbraw/zinc/93/39/99/568933999.db2.gz AUECGRBUCPXYJF-HSZRJFAPSA-N 0 0 421.522 4.859 50 5 HJBARN O=c1c([N+](=O)[O-])c(Oc2ccc([N+](=O)[O-])cc2)c2ccccc2n1-c1ccccc1 ZINC000004114606 568944014 /nfs/dbraw/zinc/94/40/14/568944014.db2.gz COBMWRWQDDPNNW-UHFFFAOYSA-N 0 0 403.350 4.599 50 5 HJBARN Cc1oc(-c2cccc([N+](=O)[O-])c2)cc1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000005033353 568947256 /nfs/dbraw/zinc/94/72/56/568947256.db2.gz ZRXRERXPDXXFFM-UHFFFAOYSA-N 0 0 401.762 4.977 50 5 HJBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000015549146 568949052 /nfs/dbraw/zinc/94/90/52/568949052.db2.gz JVYIULQOWXLSRD-CQSZACIVSA-N 0 0 420.494 4.753 50 5 HJBARN CCOc1cc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)c([N+](=O)[O-])cc1OC ZINC000012775762 568954423 /nfs/dbraw/zinc/95/44/23/568954423.db2.gz WYECFTSTJMIUNU-UHFFFAOYSA-N 0 0 404.422 4.826 50 5 HJBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000012777506 568955806 /nfs/dbraw/zinc/95/58/06/568955806.db2.gz ZQGLFNIUJJEZHO-CYBMUJFWSA-N 0 0 415.396 4.680 50 5 HJBARN CCN(CC)Cc1nc2sc(C)c(C)c2c(Oc2ccc(C)nc2[N+](=O)[O-])n1 ZINC000007983279 568963976 /nfs/dbraw/zinc/96/39/76/568963976.db2.gz XCSVVJAREXFCCI-UHFFFAOYSA-N 0 0 401.492 4.554 50 5 HJBARN COc1ccc(C(=O)N(CCc2ccccc2)Cc2ccc(C)s2)cc1[N+](=O)[O-] ZINC000008062761 568971244 /nfs/dbraw/zinc/97/12/44/568971244.db2.gz HUCWICGUOQSZQO-UHFFFAOYSA-N 0 0 410.495 4.858 50 5 HJBARN COc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])n2)cc1C ZINC000001518590 569012092 /nfs/dbraw/zinc/01/20/92/569012092.db2.gz OSBHGFOEHRNYMX-UHFFFAOYSA-N 0 0 403.847 4.941 50 5 HJBARN CSc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1[N+](=O)[O-] ZINC000012927672 569023997 /nfs/dbraw/zinc/02/39/97/569023997.db2.gz ILEVNIQGBMJGAM-UHFFFAOYSA-N 0 0 413.480 4.627 50 5 HJBARN CSc1nc2c(sc3nc(CC(C)C)c4c(c32)CCC4)c2n[nH]c(=S)n21 ZINC000006238926 569034366 /nfs/dbraw/zinc/03/43/66/569034366.db2.gz RPUXXQLNWYOWLS-UHFFFAOYSA-N 0 0 401.586 4.959 50 5 HJBARN CC[C@]1(C)Cc2c(sc3nc(SCc4ccc([N+](=O)[O-])cc4)nc(N)c32)CO1 ZINC000001866271 569056771 /nfs/dbraw/zinc/05/67/71/569056771.db2.gz BZGRMKSVMKFSSK-LJQANCHMSA-N 0 0 416.528 4.715 50 5 HJBARN COc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccccc4[N+](=O)[O-])c3)nc2c1 ZINC000006503898 569061668 /nfs/dbraw/zinc/06/16/68/569061668.db2.gz RIIGYVNWZWYMEL-UHFFFAOYSA-N 0 0 403.394 4.972 50 5 HJBARN Cc1csc(S[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 ZINC000006586811 569067753 /nfs/dbraw/zinc/06/77/53/569067753.db2.gz JKSYIQOGWHWWSN-SNVBAGLBSA-N 0 0 406.514 4.603 50 5 HJBARN O=[N+]([O-])c1cccc(S(=O)(=O)N(Cc2ccc(F)cc2)c2ccc(Cl)cc2)c1 ZINC000036247509 569116971 /nfs/dbraw/zinc/11/69/71/569116971.db2.gz HIGHKYSDLSJHPN-UHFFFAOYSA-N 0 0 420.849 4.783 50 5 HJBARN O=[N+]([O-])c1cccc(S(=O)(=O)N(Cc2cccc(F)c2)c2cccc(Cl)c2)c1 ZINC000036247335 569116973 /nfs/dbraw/zinc/11/69/73/569116973.db2.gz AYOVTHFNPOVUHZ-UHFFFAOYSA-N 0 0 420.849 4.783 50 5 HJBARN Cc1cccc(CN(c2ccc(C)c(F)c2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000036247980 569117212 /nfs/dbraw/zinc/11/72/12/569117212.db2.gz IIZPHCALWXNAET-UHFFFAOYSA-N 0 0 414.458 4.746 50 5 HJBARN COc1cccc(-c2noc(-c3cc4c(ccc5ccccc54)oc3=O)n2)c1OC ZINC000006868030 569159322 /nfs/dbraw/zinc/15/93/22/569159322.db2.gz ZMRFFUODQAUFLQ-UHFFFAOYSA-N 0 0 400.390 4.680 50 5 HJBARN C[C@@H](OC(=O)c1cccc(Cl)c1Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006987056 569195922 /nfs/dbraw/zinc/19/59/22/569195922.db2.gz YGJUCUIXCSNLMB-SECBINFHSA-N 0 0 408.197 4.870 50 5 HJBARN Cc1noc2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)Nc3cc(C)cc(C)c3)c12 ZINC000036618488 569210090 /nfs/dbraw/zinc/21/00/90/569210090.db2.gz RQCRTFGBJXLCRY-UHFFFAOYSA-N 0 0 402.410 4.976 50 5 HJBARN COc1ccc(SCCC(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000010219571 569253872 /nfs/dbraw/zinc/25/38/72/569253872.db2.gz CAZFYVDKDMAKRK-UHFFFAOYSA-N 0 0 415.496 4.848 50 5 HJBARN O=C(/N=c1/scc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)c1ccccc1 ZINC000016740109 569261946 /nfs/dbraw/zinc/26/19/46/569261946.db2.gz HXMYNEINBIGHMU-GHVJWSGMSA-N 0 0 401.447 4.855 50 5 HJBARN CC[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)OC)C1 ZINC000017093323 569273518 /nfs/dbraw/zinc/27/35/18/569273518.db2.gz MVYIPDKFCZVYMS-SNVBAGLBSA-N 0 0 422.890 4.864 50 5 HJBARN C[C@H](c1ccccc1)n1c(-c2ccccc2)nc2c(c(=O)c3ccccc3n2C)c1=O ZINC000002213642 569308339 /nfs/dbraw/zinc/30/83/39/569308339.db2.gz PPQLOESNSIGBHQ-QGZVFWFLSA-N 0 0 407.473 4.525 50 5 HJBARN Cc1c(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)cccc1[N+](=O)[O-] ZINC000007778974 569309016 /nfs/dbraw/zinc/30/90/16/569309016.db2.gz FMBQMMYMUMOHJI-UHFFFAOYSA-N 0 0 416.861 4.550 50 5 HJBARN O=c1c2ccccc2oc2nc(-c3ccc(Cl)cc3)n(Cc3ccccc3)c(=O)c12 ZINC000002221366 569312989 /nfs/dbraw/zinc/31/29/89/569312989.db2.gz QNJWQBAVLRZGMY-UHFFFAOYSA-N 0 0 414.848 4.872 50 5 HJBARN Cc1nc2c(c3nc4ccccc4nc3n2Cc2ccccc2)c(=O)n1C1CCCC1 ZINC000002251323 569323950 /nfs/dbraw/zinc/32/39/50/569323950.db2.gz VBIBAHMULJUEIT-UHFFFAOYSA-N 0 0 409.493 4.766 50 5 HJBARN CCCCn1c(CC)nc2c(c3nc4ccccc4nc3n2-c2cccc(F)c2)c1=O ZINC000002308984 569372774 /nfs/dbraw/zinc/37/27/74/569372774.db2.gz DCUCVUAIVCZFDZ-UHFFFAOYSA-N 0 0 415.472 4.785 50 5 HJBARN CC(C)CCn1c2nc3ccccc3nc2c2c1ncn(CCc1ccccc1)c2=O ZINC000002363221 569387264 /nfs/dbraw/zinc/38/72/64/569387264.db2.gz CUQWRBSOBHNGLB-UHFFFAOYSA-N 0 0 411.509 4.583 50 5 HJBARN COc1ccccc1-c1noc(-c2ccccc2C(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000009013969 569391183 /nfs/dbraw/zinc/39/11/83/569391183.db2.gz PNPXJAOEJSCGDI-UHFFFAOYSA-N 0 0 416.393 4.573 50 5 HJBARN O=C(NCCNc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000009720925 569393851 /nfs/dbraw/zinc/39/38/51/569393851.db2.gz HGMPPLMMTBNMSI-UHFFFAOYSA-N 0 0 422.190 4.762 50 5 HJBARN CCOc1ccc(-n2c3ncn([C@@H](C)CC)c(=O)c3c3nc4ccccc4nc32)cc1 ZINC000002406694 569396234 /nfs/dbraw/zinc/39/62/34/569396234.db2.gz NILKIPKPBUSADO-HNNXBMFYSA-N 0 0 413.481 4.653 50 5 HJBARN COc1cccc2c1O[C@H](c1cccc([N+](=O)[O-])c1)N1N=C(c3ccccc3)C[C@@H]21 ZINC000012193249 569399920 /nfs/dbraw/zinc/39/99/20/569399920.db2.gz IBKVVEYALGFSOS-NZQKXSOJSA-N 0 0 401.422 4.846 50 5 HJBARN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)/C=C/c1ccco1 ZINC000012613140 569402081 /nfs/dbraw/zinc/40/20/81/569402081.db2.gz GDFFZBYCQWTOGW-CMDGGOBGSA-N 0 0 412.423 4.745 50 5 HJBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cc1csc(-c2ccsc2)n1 ZINC000012971449 569405450 /nfs/dbraw/zinc/40/54/50/569405450.db2.gz ZMAVRWVBGDEANP-UHFFFAOYSA-N 0 0 407.904 4.634 50 5 HJBARN COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCc1csc(C)n1 ZINC000013018686 569407414 /nfs/dbraw/zinc/40/74/14/569407414.db2.gz UUIDZLUKVCXBEU-UHFFFAOYSA-N 0 0 413.455 4.508 50 5 HJBARN Cn1c2ccccc2nc1[C@H]1CCCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000079061575 569426294 /nfs/dbraw/zinc/42/62/94/569426294.db2.gz USWPJYDBYRPRQM-MRXNPFEDSA-N 0 0 401.264 4.586 50 5 HJBARN COc1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)cc1OC ZINC000079188860 569429103 /nfs/dbraw/zinc/42/91/03/569429103.db2.gz ZUAGIEBYCOFWAJ-UHFFFAOYSA-N 0 0 419.437 4.595 50 5 biogenic HJBARN O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1csc([N+](=O)[O-])c1 ZINC000040140373 571191567 /nfs/dbraw/zinc/19/15/67/571191567.db2.gz JQCDMAGUYUIBRJ-UHFFFAOYSA-N 0 0 412.905 4.706 50 5 HJBARN Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc3)cc2c1 ZINC000009076292 571218888 /nfs/dbraw/zinc/21/88/88/571218888.db2.gz CFSGHIKZFYPQOS-UHFFFAOYSA-N 0 0 413.433 4.592 50 5 HJBARN COc1ccccc1C(=O)Oc1ccc2c(c1)oc(=O)cc2-c1ccc([N+](=O)[O-])cc1 ZINC000009283921 571244919 /nfs/dbraw/zinc/24/49/19/571244919.db2.gz WHNWFTRBJVXSTQ-UHFFFAOYSA-N 0 0 417.373 4.596 50 5 HJBARN O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)C12CC3CC(CC(C3)C1)C2 ZINC000009404517 571255220 /nfs/dbraw/zinc/25/52/20/571255220.db2.gz AXDJNFIJYLRRLH-UHFFFAOYSA-N 0 0 424.526 4.682 50 5 HJBARN O=C(COc1cccnc1[N+](=O)[O-])Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000009662754 571277747 /nfs/dbraw/zinc/27/77/47/571277747.db2.gz HJHVMEOASMJUSS-UHFFFAOYSA-N 0 0 415.858 4.812 50 5 HJBARN O=C(CN1CCC(c2c[nH]c3ccccc32)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000010139912 571295413 /nfs/dbraw/zinc/29/54/13/571295413.db2.gz HNXXUFLXCKWKJX-UHFFFAOYSA-N 0 0 412.877 4.548 50 5 HJBARN COc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2C)c([N+](=O)[O-])cc1OC ZINC000001165491 132240017 /nfs/dbraw/zinc/24/00/17/132240017.db2.gz PLZUSIOFRSQIJT-QFIPXVFZSA-N 0 0 419.437 4.692 50 5 HJBARN CC1CCN(c2nn3c(=O)c4c5c(sc4nc3c3ccccc32)CCCC5)CC1 ZINC000002106639 132248952 /nfs/dbraw/zinc/24/89/52/132248952.db2.gz FCIXFYOIPFAORR-UHFFFAOYSA-N 0 0 404.539 4.573 50 5 HJBARN CC1(C)C(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000002291052 132251522 /nfs/dbraw/zinc/25/15/22/132251522.db2.gz HPKRDVXXPKJYRN-UHFFFAOYSA-N 0 0 415.449 4.567 50 5 HJBARN CC(=O)Nc1ccc(N2COc3c(cc4c5ccccc5c(=O)oc4c3C)C2)cc1 ZINC000005348863 132305229 /nfs/dbraw/zinc/30/52/29/132305229.db2.gz IASMTOKGMAKMFC-UHFFFAOYSA-N 0 0 400.434 4.570 50 5 HJBARN Cc1cccc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)c1[N+](=O)[O-] ZINC000009867344 132343805 /nfs/dbraw/zinc/34/38/05/132343805.db2.gz AAIFEWZAWGDHTJ-UHFFFAOYSA-N 0 0 420.446 4.890 50 5 HJBARN CCOC(=O)c1oc2ccccc2c1CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000032843084 521608717 /nfs/dbraw/zinc/60/87/17/521608717.db2.gz ZIJRFHVBTUXALX-UHFFFAOYSA-N 0 0 402.834 4.803 50 5 HJBARN O=C(Nc1ccccc1Cc1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000043333970 527415099 /nfs/dbraw/zinc/41/50/99/527415099.db2.gz VZJAPOBZNOOIGI-UHFFFAOYSA-N 0 0 416.481 4.540 50 5 HJBARN COc1ccc(Cn2c(=O)c3c(=O)c4ccccc4oc3nc2-c2ccccc2C)cc1 ZINC000002199162 557325663 /nfs/dbraw/zinc/32/56/63/557325663.db2.gz FYFBEWMSRNCLNT-UHFFFAOYSA-N 0 0 424.456 4.535 50 5 HJBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000072058550 558443269 /nfs/dbraw/zinc/44/32/69/558443269.db2.gz LBKPKENWDVJVIJ-UHFFFAOYSA-N 0 0 422.488 4.937 50 5 HJBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000010846310 558492843 /nfs/dbraw/zinc/49/28/43/558492843.db2.gz KIMUIONLBJGEAX-UHFFFAOYSA-N 0 0 422.407 4.573 50 5 HJBARN C[C@H]1CCCCN1C(=O)CCc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000004421690 558534565 /nfs/dbraw/zinc/53/45/65/558534565.db2.gz PBRWPEWJXJAVEN-HNNXBMFYSA-N 0 0 413.430 4.629 50 5 HJBARN O=C(Nc1ccccc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Cl ZINC000015722812 558749942 /nfs/dbraw/zinc/74/99/42/558749942.db2.gz XXQDMDKZEKGMHU-XSFVSMFZSA-N 0 0 421.840 4.658 50 5 HJBARN O=C(Oc1cc2sc(=O)oc2c(-c2ccc(F)cc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000016752104 558805003 /nfs/dbraw/zinc/80/50/03/558805003.db2.gz PZAWUCIEXGMZEQ-UHFFFAOYSA-N 0 0 411.366 4.788 50 5 HJBARN CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000013844500 558886039 /nfs/dbraw/zinc/88/60/39/558886039.db2.gz JQEVERQNIGYLEG-UHFFFAOYSA-N 0 0 423.856 4.773 50 5 HJBARN CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000011227647 558892401 /nfs/dbraw/zinc/89/24/01/558892401.db2.gz FKAGUNVZHFZGQB-UHFFFAOYSA-N 0 0 407.455 4.901 50 5 HJBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCc1ccc(C(F)(F)F)cc1 ZINC000011250425 559010872 /nfs/dbraw/zinc/01/08/72/559010872.db2.gz KKTKZTQIPVWJMO-UHFFFAOYSA-N 0 0 424.422 4.532 50 5 HJBARN O=C(CNc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H](c1cccs1)c1ccccc1 ZINC000011256184 559015038 /nfs/dbraw/zinc/01/50/38/559015038.db2.gz JRRTVFNAJGEUSD-LJQANCHMSA-N 0 0 401.875 4.627 50 5 HJBARN CCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000004767973 559055359 /nfs/dbraw/zinc/05/53/59/559055359.db2.gz ZXHDSJCDXIRODQ-NRFANRHFSA-N 0 0 420.469 4.967 50 5 HJBARN COc1ccccc1-c1nc2c3sc4nc(C(F)(F)F)cc(C)c4c3ncn2n1 ZINC000033326969 559059655 /nfs/dbraw/zinc/05/96/55/559059655.db2.gz ABPPYVXMAJVJPX-UHFFFAOYSA-N 0 0 415.400 4.890 50 5 HJBARN CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(OCC)c1OCC ZINC000004819484 559068960 /nfs/dbraw/zinc/06/89/60/559068960.db2.gz PDAZMPKWQJOTSM-UHFFFAOYSA-N 0 0 408.838 4.697 50 5 HJBARN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1nc2ccccc2s1 ZINC000084638462 559156690 /nfs/dbraw/zinc/15/66/90/559156690.db2.gz ZKPDDZDXWYDSMW-OAHLLOKOSA-N 0 0 424.526 4.728 50 5 HJBARN CCOc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1[N+](=O)[O-] ZINC000004867538 559193571 /nfs/dbraw/zinc/19/35/71/559193571.db2.gz KNIBJBKQMGQFJO-UHFFFAOYSA-N 0 0 417.421 4.732 50 5 HJBARN COc1cccc2c1O[C@H](c1cccc([N+](=O)[O-])c1)N1N=C(c3ccccc3)C[C@H]21 ZINC000004871819 559194089 /nfs/dbraw/zinc/19/40/89/559194089.db2.gz IBKVVEYALGFSOS-NFBKMPQASA-N 0 0 401.422 4.846 50 5 HJBARN COc1cccc2c1O[C@@H](c1cccc([N+](=O)[O-])c1)N1N=C(c3ccccc3)C[C@H]21 ZINC000004871821 559194116 /nfs/dbraw/zinc/19/41/16/559194116.db2.gz IBKVVEYALGFSOS-OFNKIYASSA-N 0 0 401.422 4.846 50 5 HJBARN CCCOC(=O)c1c(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 ZINC000033455882 559194122 /nfs/dbraw/zinc/19/41/22/559194122.db2.gz HIGRNKMLWKNKMG-XFXZXTDPSA-N 0 0 414.483 4.754 50 5 HJBARN Cc1cccc(-c2noc(CN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C(C)C)n2)c1 ZINC000004958764 559216432 /nfs/dbraw/zinc/21/64/32/559216432.db2.gz GMHSRUGAOVXRDG-UHFFFAOYSA-N 0 0 414.849 4.657 50 5 HJBARN CCOC(=O)c1ccc(NC(=O)CCSc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000005013266 559227959 /nfs/dbraw/zinc/22/79/59/559227959.db2.gz WTTMZBCBOOFTRZ-UHFFFAOYSA-N 0 0 408.863 4.546 50 5 HJBARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000005020952 559229681 /nfs/dbraw/zinc/22/96/81/559229681.db2.gz RHFHKUTULAEXIB-UHFFFAOYSA-N 0 0 402.204 4.573 50 5 HJBARN Cc1ccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2cccc(C)c2)cc1 ZINC000005061492 559239241 /nfs/dbraw/zinc/23/92/41/559239241.db2.gz KTVLEGAZJFPSFN-PXLXIMEGSA-N 0 0 415.449 4.621 50 5 HJBARN COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccccc2[N+](=O)[O-])c1 ZINC000248266563 559269483 /nfs/dbraw/zinc/26/94/83/559269483.db2.gz ZNPMGNOOXNMBEG-GGAORHGYSA-N 0 0 401.422 4.846 50 5 HJBARN Cc1ccc(CN(CCc2ccccc2)C(=O)COc2ccccc2[N+](=O)[O-])s1 ZINC000005407658 560584305 /nfs/dbraw/zinc/58/43/05/560584305.db2.gz BYWGVYLKAPCFDZ-UHFFFAOYSA-N 0 0 410.495 4.615 50 5 HJBARN O=C(/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1cccc(C(F)(F)F)c1 ZINC000005600556 560627766 /nfs/dbraw/zinc/62/77/66/560627766.db2.gz IGKLLHAXEYGDFI-QPJJXVBHSA-N 0 0 402.275 4.867 50 5 HJBARN Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000104135606 560848372 /nfs/dbraw/zinc/84/83/72/560848372.db2.gz USQRFGKNZPLZEH-UHFFFAOYSA-N 0 0 422.353 4.639 50 5 HJBARN Cn1cc([C@H](CC(=O)NCc2ccco2)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000106798275 560893908 /nfs/dbraw/zinc/89/39/08/560893908.db2.gz NPLQIPYXXBAMIA-HXUWFJFHSA-N 0 0 403.438 4.518 50 5 HJBARN CC[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2C(=O)OC)C1 ZINC000000659519 568457605 /nfs/dbraw/zinc/45/76/05/568457605.db2.gz MKGYLRVBYPUWEX-JTQLQIEISA-N 0 0 422.890 4.864 50 5 HJBARN Cc1ccc(S(=O)(=O)N2CC3=Cc4ccccc4Oc4cc([N+](=O)[O-])cc2c43)cc1 ZINC000000717719 568465842 /nfs/dbraw/zinc/46/58/42/568465842.db2.gz DSVKGUDYAVMNHR-UHFFFAOYSA-N 0 0 420.446 4.758 50 5 HJBARN COc1ccc(C(=O)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)cc1[N+](=O)[O-] ZINC000000725643 568466171 /nfs/dbraw/zinc/46/61/71/568466171.db2.gz UWLSAQNJIPBGPB-UHFFFAOYSA-N 0 0 403.394 4.972 50 5 HJBARN COc1ccc(C(=O)Oc2ccc(Br)c3ccccc23)cc1[N+](=O)[O-] ZINC000000722511 568466279 /nfs/dbraw/zinc/46/62/79/568466279.db2.gz QBBOEUZMJUAEPQ-UHFFFAOYSA-N 0 0 402.200 4.738 50 5 HJBARN Cc1nc(-c2ccc(CCNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2)cs1 ZINC000024834612 568469860 /nfs/dbraw/zinc/46/98/60/568469860.db2.gz ZBUSHQQBPBEYNW-UHFFFAOYSA-N 0 0 401.875 4.653 50 5 HJBARN O=C(N[C@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000000837035 568515045 /nfs/dbraw/zinc/51/50/45/568515045.db2.gz HZKWOYBWWXVNLK-AWEZNQCLSA-N 0 0 423.083 4.786 50 5 HJBARN Cc1ccc(NC(=O)c2nn(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])cc1Cl ZINC000020177379 568592633 /nfs/dbraw/zinc/59/26/33/568592633.db2.gz JYPCVKKSZFLKGU-UHFFFAOYSA-N 0 0 414.893 4.931 50 5 HJBARN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc3oc4ccccc4c(=O)c3c2)c1 ZINC000095457279 568618369 /nfs/dbraw/zinc/61/83/69/568618369.db2.gz SXEBYZXOPSUIFJ-AUUYWEPGSA-N 0 0 412.445 4.793 50 5 HJBARN COc1ccc(CCN2COc3c(C)c4oc(=O)c5ccccc5c4cc3C2)cc1 ZINC000020610196 568636655 /nfs/dbraw/zinc/63/66/55/568636655.db2.gz SVUNUCQOFLTSNT-UHFFFAOYSA-N 0 0 401.462 4.658 50 5 biogenic HJBARN Cc1noc(/C=C/c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1[N+](=O)[O-] ZINC000021112429 568668392 /nfs/dbraw/zinc/66/83/92/568668392.db2.gz AFKTZZGRYASLHE-NYYWCZLTSA-N 0 0 419.846 4.516 50 5 HJBARN COc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1[N+](=O)[O-] ZINC000000852610 568711924 /nfs/dbraw/zinc/71/19/24/568711924.db2.gz PAYXWJVFTGMIFS-UHFFFAOYSA-N 0 0 419.462 4.595 50 5 HJBARN Cn1cc([C@H](CC(=O)NCc2ccccc2)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000096276294 568715110 /nfs/dbraw/zinc/71/51/10/568715110.db2.gz HAOQGOKRJUTIBS-JOCHJYFZSA-N 0 0 413.477 4.925 50 5 HJBARN CC[C@@H](C)[C@H](NC(=O)/C=C/c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277151 568715930 /nfs/dbraw/zinc/71/59/30/568715930.db2.gz WQUNWVKFISFUEB-KVYFGWCZSA-N 0 0 406.442 4.562 50 5 HJBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 ZINC000012442015 568724656 /nfs/dbraw/zinc/72/46/56/568724656.db2.gz JYGUHGPMFJCPIE-UHFFFAOYSA-N 0 0 423.429 4.604 50 5 HJBARN Cc1ccc(C)c(NC(=O)c2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1 ZINC000000959462 568756958 /nfs/dbraw/zinc/75/69/58/568756958.db2.gz GZTXNXSDNKEPLE-UHFFFAOYSA-N 0 0 404.422 4.992 50 5 HJBARN CCOC(=O)c1cccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c1 ZINC000001053918 568765010 /nfs/dbraw/zinc/76/50/10/568765010.db2.gz AWUPVTUYMMOKAP-UHFFFAOYSA-N 0 0 404.831 4.892 50 5 HJBARN COc1cccc(C(=O)c2oc3ccccc3c2NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000001052614 568765081 /nfs/dbraw/zinc/76/50/81/568765081.db2.gz UFWUNQRHAIRHGX-UHFFFAOYSA-N 0 0 416.389 4.833 50 5 HJBARN CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc2c1CC[C@@H](CC)C2 ZINC000001088407 568767746 /nfs/dbraw/zinc/76/77/46/568767746.db2.gz SYDWONUKSYFJFG-CYBMUJFWSA-N 0 0 416.499 4.909 50 5 HJBARN COc1ccc(C(=O)[C@@H](C)Oc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000001109036 568768727 /nfs/dbraw/zinc/76/87/27/568768727.db2.gz CQGLKNHJTMBQME-OAHLLOKOSA-N 0 0 420.421 4.506 50 5 HJBARN O=[N+]([O-])c1ccc(-c2noc(COc3ccc(Cl)cc3Br)n2)cc1 ZINC000001110515 568770588 /nfs/dbraw/zinc/77/05/88/568770588.db2.gz CZGIFSBBVYXEGL-UHFFFAOYSA-N 0 0 410.611 4.640 50 5 HJBARN O=C(COc1ccc2cc(Br)ccc2c1)Nc1cccc([N+](=O)[O-])c1 ZINC000001140650 568772085 /nfs/dbraw/zinc/77/20/85/568772085.db2.gz QVCBZQYGGWGVGZ-UHFFFAOYSA-N 0 0 401.216 4.528 50 5 HJBARN O=C(CCC(=O)OC(c1ccccc1)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000001136363 568773514 /nfs/dbraw/zinc/77/35/14/568773514.db2.gz VIOQRGGESQLFJK-UHFFFAOYSA-N 0 0 404.422 4.646 50 5 HJBARN CCc1ccc(OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c(Br)c1 ZINC000001139648 568773703 /nfs/dbraw/zinc/77/37/03/568773703.db2.gz CORZIHLSJGRDJU-UHFFFAOYSA-N 0 0 404.220 4.549 50 5 HJBARN COc1ccc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000002771238 568807953 /nfs/dbraw/zinc/80/79/53/568807953.db2.gz QCIQVBRQGFSEJW-UHFFFAOYSA-N 0 0 419.153 4.637 50 5 HJBARN Cc1cc(OCc2cccc(-c3nc4c5ccccc5ncn4n3)c2)ccc1[N+](=O)[O-] ZINC000002806389 568810941 /nfs/dbraw/zinc/81/09/41/568810941.db2.gz JGAYYYQUFBRFJP-UHFFFAOYSA-N 0 0 411.421 4.740 50 5 HJBARN O=C(CCSc1ccc([N+](=O)[O-])cc1)Oc1ccccc1C(=O)Oc1ccccc1 ZINC000002844519 568812839 /nfs/dbraw/zinc/81/28/39/568812839.db2.gz ZYVZZEOWJUVOET-UHFFFAOYSA-N 0 0 423.446 4.902 50 5 HJBARN Cc1cc(Cl)ccc1O[C@H](C)c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000002845056 568812855 /nfs/dbraw/zinc/81/28/55/568812855.db2.gz LVXMFAWSJKXYII-LLVKDONJSA-N 0 0 418.862 4.800 50 5 HJBARN O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000002884697 568814075 /nfs/dbraw/zinc/81/40/75/568814075.db2.gz VYVIXYJGZMYJMY-UHFFFAOYSA-N 0 0 409.829 4.682 50 5 HJBARN Cc1c(NC(=O)COc2ccc3ccccc3c2Br)cccc1[N+](=O)[O-] ZINC000001171457 568818830 /nfs/dbraw/zinc/81/88/30/568818830.db2.gz GJAKLFDHCVZZSF-UHFFFAOYSA-N 0 0 415.243 4.836 50 5 HJBARN Cc1ccc(-n2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3n2)cc1Cl ZINC000001184209 568821839 /nfs/dbraw/zinc/82/18/39/568821839.db2.gz WTVCWRQCNFEPAL-UHFFFAOYSA-N 0 0 407.817 4.543 50 5 HJBARN COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O ZINC000001185569 568821909 /nfs/dbraw/zinc/82/19/09/568821909.db2.gz UKYCDUXDMQGWFV-UHFFFAOYSA-N 0 0 416.389 4.629 50 5 HJBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nc3ccccc3o2)c(O)c1 ZINC000001208238 568823386 /nfs/dbraw/zinc/82/33/86/568823386.db2.gz FSRQLKXIERYZJV-DHZHZOJOSA-N 0 0 401.378 4.761 50 5 HJBARN CCc1ccc(-c2nc3cc(NC(=O)COc4ccc([N+](=O)[O-])cc4)ccc3o2)cc1 ZINC000001207468 568823394 /nfs/dbraw/zinc/82/33/94/568823394.db2.gz ACVWHDIOIFWNSV-UHFFFAOYSA-N 0 0 417.421 4.983 50 5 HJBARN Cc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3n2)cc1Cl ZINC000001207085 568823415 /nfs/dbraw/zinc/82/34/15/568823415.db2.gz QXAHKVPCKGYBNP-UHFFFAOYSA-N 0 0 407.817 4.543 50 5 HJBARN O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1 ZINC000001205866 568823578 /nfs/dbraw/zinc/82/35/78/568823578.db2.gz XZQIHXBGQZCBNY-ZROIWOOFSA-N 0 0 405.229 4.598 50 5 HJBARN CCOc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1[N+](=O)[O-] ZINC000001206291 568823591 /nfs/dbraw/zinc/82/35/91/568823591.db2.gz BWKRNUTUDCIQMG-UHFFFAOYSA-N 0 0 419.393 4.760 50 5 HJBARN Cc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1 ZINC000001217840 568824916 /nfs/dbraw/zinc/82/49/16/568824916.db2.gz UVMWUVFTIOMGPJ-UHFFFAOYSA-N 0 0 401.426 4.506 50 5 HJBARN COc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1cccc([N+](=O)[O-])c1)O2 ZINC000226872892 568824986 /nfs/dbraw/zinc/82/49/86/568824986.db2.gz VTKZDTUTWZFSRQ-JTHBVZDNSA-N 0 0 401.422 4.846 50 5 HJBARN O=C(Nc1ccc(F)cc1F)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F ZINC000003015972 568838557 /nfs/dbraw/zinc/83/85/57/568838557.db2.gz SFLUVRQGRMWYIQ-UHFFFAOYSA-N 0 0 420.293 4.891 50 5 HJBARN C[C@H](NC(=O)c1ccccc1F)c1nc2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000012495413 568839033 /nfs/dbraw/zinc/83/90/33/568839033.db2.gz MTGOGEDHEROJHB-HNNXBMFYSA-N 0 0 418.428 4.623 50 5 HJBARN O=C(Nc1nc2ccc(NC(=O)c3ccccc3)cc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000003211300 568861969 /nfs/dbraw/zinc/86/19/69/568861969.db2.gz PYEUSSCHBLGQQS-UHFFFAOYSA-N 0 0 418.434 4.709 50 5 HJBARN O=C(N[C@@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000001232127 568878446 /nfs/dbraw/zinc/87/84/46/568878446.db2.gz ZRSJZNPWGKPVQW-CQSZACIVSA-N 0 0 423.083 4.786 50 5 HJBARN Cn1ncc2c1[nH]c1c(oc3cc(O)cc(=O)c31)c2-c1ccc(Br)cc1 ZINC000263587238 568882622 /nfs/dbraw/zinc/88/26/22/568882622.db2.gz DTVXEIZFCBIKCL-UHFFFAOYSA-N 0 0 410.227 4.708 50 5 HJBARN CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 ZINC000003516477 568911677 /nfs/dbraw/zinc/91/16/77/568911677.db2.gz YYOAULQWHXMSLK-UHFFFAOYSA-N 0 0 421.474 4.940 50 5 HJBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1 ZINC000001304725 568913176 /nfs/dbraw/zinc/91/31/76/568913176.db2.gz QJDRCNUHJGLPAI-UHFFFAOYSA-N 0 0 403.467 4.589 50 5 HJBARN CCc1ccc(NCc2nc(-c3cc(Br)cs3)no2)cc1[N+](=O)[O-] ZINC000083825342 568917720 /nfs/dbraw/zinc/91/77/20/568917720.db2.gz GLJVAORNLUFLRE-UHFFFAOYSA-N 0 0 409.265 4.643 50 5 HJBARN COc1ccc([C@H]2CCCCCN2C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000058427019 568917885 /nfs/dbraw/zinc/91/78/85/568917885.db2.gz SFDBTZUYYCRSHT-JOCHJYFZSA-N 0 0 407.470 4.702 50 5 HJBARN Cc1ccc([N+](=O)[O-])c(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)c1C ZINC000012747793 568933912 /nfs/dbraw/zinc/93/39/12/568933912.db2.gz AUECGRBUCPXYJF-QHCPKHFHSA-N 0 0 421.522 4.859 50 5 HJBARN COc1ccc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000004056322 568936419 /nfs/dbraw/zinc/93/64/19/568936419.db2.gz CCPMGNCVGKTUPZ-NTEUORMPSA-N 0 0 404.422 4.834 50 5 HJBARN Cc1ccc(NC(=O)CCc2nnc(-c3cccc(C(F)(F)F)c3)o2)cc1[N+](=O)[O-] ZINC000012766447 568948552 /nfs/dbraw/zinc/94/85/52/568948552.db2.gz ISEBIQOYPZVDDJ-UHFFFAOYSA-N 0 0 420.347 4.543 50 5 HJBARN Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000059280700 568949161 /nfs/dbraw/zinc/94/91/61/568949161.db2.gz SZQXMQJAVUBEPQ-UHFFFAOYSA-N 0 0 418.375 4.977 50 5 HJBARN Cc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc([N+](=O)[O-])s3)nc21 ZINC000004273216 568957718 /nfs/dbraw/zinc/95/77/18/568957718.db2.gz KNVGBTCTPRNFJA-UHFFFAOYSA-N 0 0 410.480 4.816 50 5 HJBARN COC[C@H](C)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000007977063 568963094 /nfs/dbraw/zinc/96/30/94/568963094.db2.gz RNHJHHFKSHVOFM-NSHDSACASA-N 0 0 414.405 4.530 50 5 HJBARN CCc1cccc2c(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)c[nH]c21 ZINC000038166197 568974192 /nfs/dbraw/zinc/97/41/92/568974192.db2.gz YPOSLJZEDVYPSY-ZDLGFXPLSA-N 0 0 407.451 4.875 50 5 HJBARN Cc1ccc2c(c1)c1nc3ccccc3nc1n2CCCN1C(=O)c2ccccc2C1=O ZINC000001455575 568987226 /nfs/dbraw/zinc/98/72/26/568987226.db2.gz NGKRIAXFWYJNGM-UHFFFAOYSA-N 0 0 420.472 4.732 50 5 HJBARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008411715 569001607 /nfs/dbraw/zinc/00/16/07/569001607.db2.gz UXZVLGKOCLXSGU-UHFFFAOYSA-N 0 0 417.381 4.607 50 5 HJBARN Cc1ccc(C2=NN(C(=O)COc3ccc(C)cc3[N+](=O)[O-])[C@@H](c3ccco3)C2)cc1 ZINC000008428004 569002328 /nfs/dbraw/zinc/00/23/28/569002328.db2.gz BTRCTIQHGRTACB-LJQANCHMSA-N 0 0 419.437 4.561 50 5 HJBARN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(Br)cc1 ZINC000001516414 569010074 /nfs/dbraw/zinc/01/00/74/569010074.db2.gz RTNJNPVGFWOGOC-UHFFFAOYSA-N 0 0 404.245 4.733 50 5 HJBARN O=C(Nc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1)c1ccco1 ZINC000001517913 569011403 /nfs/dbraw/zinc/01/14/03/569011403.db2.gz XACDCSUARIYTCQ-UHFFFAOYSA-N 0 0 417.377 4.952 50 5 HJBARN COc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1csc(C)n1 ZINC000012929367 569024381 /nfs/dbraw/zinc/02/43/81/569024381.db2.gz QKMVRSGHYZYXCZ-UHFFFAOYSA-N 0 0 413.455 4.508 50 5 HJBARN Cc1ccc(OCC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000016048695 569028369 /nfs/dbraw/zinc/02/83/69/569028369.db2.gz CJAICXXHIMOWJU-SFHVURJKSA-N 0 0 421.478 4.557 50 5 HJBARN Cc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)c([N+](=O)[O-])c1 ZINC000016319587 569031367 /nfs/dbraw/zinc/03/13/67/569031367.db2.gz HYKLGFQEBZTLHR-UHFFFAOYSA-N 0 0 421.291 4.981 50 5 HJBARN CC(C)Cn1c2ccccc2nc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000006313618 569040145 /nfs/dbraw/zinc/04/01/45/569040145.db2.gz AWDSKAPJIJHJPF-UHFFFAOYSA-N 0 0 418.906 4.985 50 5 HJBARN COc1cccc(NC(=O)c2cc3c4ccccc4n4c3c(n2)c2ccccc2c4=O)c1 ZINC000008878916 569061250 /nfs/dbraw/zinc/06/12/50/569061250.db2.gz PAOLSGIBVODOIG-UHFFFAOYSA-N 0 0 419.440 4.853 50 5 biogenic HJBARN C[C@H](NC(=O)c1ccccc1Cl)C(=O)OCc1nc2ccccc2c2ccccc12 ZINC000006609222 569071972 /nfs/dbraw/zinc/07/19/72/569071972.db2.gz JQAHRBNJOIBEAC-HNNXBMFYSA-N 0 0 418.880 4.903 50 5 HJBARN Cc1csc([C@H]2CN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CCO2)n1 ZINC000170609231 569244926 /nfs/dbraw/zinc/24/49/26/569244926.db2.gz GGYSSWSJCZKBJM-CYBMUJFWSA-N 0 0 407.801 4.610 50 5 HJBARN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CCCc2ccccc21 ZINC000007780470 569309655 /nfs/dbraw/zinc/30/96/55/569309655.db2.gz ZJFKTJCZBJGALS-OAHLLOKOSA-N 0 0 410.417 4.900 50 5 HJBARN CCCCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2cccc(F)c2)c1=O ZINC000002303239 569372273 /nfs/dbraw/zinc/37/22/73/569372273.db2.gz SUORAQVIZMVZKO-UHFFFAOYSA-N 0 0 415.472 4.921 50 5 HJBARN COc1ccc(NC(=O)COc2ccc(C(C)C)cc2Br)c([N+](=O)[O-])c1 ZINC000009833556 569394258 /nfs/dbraw/zinc/39/42/58/569394258.db2.gz LJUQZAPCLUMJSU-UHFFFAOYSA-N 0 0 423.263 4.507 50 5 HJBARN O=C(NCCCCOc1ccc(OCc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000012977764 569405697 /nfs/dbraw/zinc/40/56/97/569405697.db2.gz XMNPESUXODPYNJ-UHFFFAOYSA-N 0 0 420.465 4.763 50 5 HJBARN O=C1C[C@@H](c2ccccc2)c2c(-c3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c2N1 ZINC000013362054 569411452 /nfs/dbraw/zinc/41/14/52/569411452.db2.gz PCPAGPUAUJAZRK-FQEVSTJZSA-N 0 0 410.433 4.922 50 5 HJBARN O=C(NCc1ccccc1COCc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000040105182 571165910 /nfs/dbraw/zinc/16/59/10/571165910.db2.gz OJFJQMNXKJAROS-UHFFFAOYSA-N 0 0 410.857 4.895 50 5 HJBARN COc1ccc(CNc2nnc(SCc3cccc([N+](=O)[O-])c3C)s2)cc1 ZINC000040127814 571179499 /nfs/dbraw/zinc/17/94/99/571179499.db2.gz YQYISZJISJITJW-UHFFFAOYSA-N 0 0 402.501 4.668 50 5 HJBARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccccc2[N+](=O)[O-])cc1 ZINC000245267014 571221452 /nfs/dbraw/zinc/22/14/52/571221452.db2.gz LEYCKGRFIBDZLN-GGAORHGYSA-N 0 0 401.422 4.846 50 5 HJBARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(NCCC4=CCCCC4)c([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000245343022 571225939 /nfs/dbraw/zinc/22/59/39/571225939.db2.gz CCQQOTBPMUURGU-LZQZEXGQSA-N 0 0 411.502 4.823 50 5 HJBARN Cc1csc(Sc2ccc(C(=O)Nc3ccc4n[nH]cc4c3)cc2[N+](=O)[O-])n1 ZINC000069949186 571250852 /nfs/dbraw/zinc/25/08/52/571250852.db2.gz FPFJBQLLNHLARU-UHFFFAOYSA-N 0 0 411.468 4.640 50 5 HJBARN CCOc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)sc2c1 ZINC000009373122 571252542 /nfs/dbraw/zinc/25/25/42/571252542.db2.gz IXKAOYNPHVMDDJ-UHFFFAOYSA-N 0 0 423.903 4.987 50 5 HJBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1Cc1ccccc1 ZINC000009588237 571271640 /nfs/dbraw/zinc/27/16/40/571271640.db2.gz KDQQIYVIJVXYSK-UHFFFAOYSA-N 0 0 424.840 4.635 50 5 HJBARN CSc1cccc(-c2nnc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)o2)c1 ZINC000009707586 571280709 /nfs/dbraw/zinc/28/07/09/571280709.db2.gz VAEWZSLYFODMOV-UHFFFAOYSA-N 0 0 412.452 4.834 50 5 HJBARN O=C(NC(=S)Nc1nc2ccccc2s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000002872002 571306660 /nfs/dbraw/zinc/30/66/60/571306660.db2.gz WAYIZPLLHXACIU-UHFFFAOYSA-N 0 0 424.463 4.591 50 5 HJBARN CC1CCN(c2nn3c(=O)c4c5c(sc4nc3c3ccccc32)C[C@@H](C)CC5)CC1 ZINC000003339060 132264812 /nfs/dbraw/zinc/26/48/12/132264812.db2.gz VHHSNUSPOOFLGN-HNNXBMFYSA-N 0 0 418.566 4.819 50 5 HJBARN O=C(Nc1cccc2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCCCC1 ZINC000004014467 132269728 /nfs/dbraw/zinc/26/97/28/132269728.db2.gz HGVLUNFVUOHXMY-UHFFFAOYSA-N 0 0 420.425 4.899 50 5 HJBARN CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000005068819 132300242 /nfs/dbraw/zinc/30/02/42/132300242.db2.gz AGPHJCZPNJVGLN-UHFFFAOYSA-N 0 0 401.894 4.508 50 5 HJBARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccccc3[N+](=O)[O-])C2=O)c(C)c1 ZINC000005658057 132307275 /nfs/dbraw/zinc/30/72/75/132307275.db2.gz MWJDJQUZZUGPRK-RGEXLXHISA-N 0 0 413.433 4.852 50 5 HJBARN O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000009016078 132335072 /nfs/dbraw/zinc/33/50/72/132335072.db2.gz YDYZCFDHSATRHA-UHFFFAOYSA-N 0 0 414.676 4.517 50 5 HJBARN C[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000012553915 132363294 /nfs/dbraw/zinc/36/32/94/132363294.db2.gz ZICCRQQPZRBVME-CQSZACIVSA-N 0 0 421.419 4.707 50 5 HJBARN COc1ccccc1-c1nc(-c2cccc(OCc3cccc([N+](=O)[O-])c3)c2)no1 ZINC000040413888 524278233 /nfs/dbraw/zinc/27/82/33/524278233.db2.gz OGALMCSKJBKPMT-UHFFFAOYSA-N 0 0 403.394 4.899 50 5 HJBARN COc1ccc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)c([N+](=O)[O-])c1 ZINC000036245274 524629163 /nfs/dbraw/zinc/62/91/63/524629163.db2.gz PJQZLXQRXPUZKN-UHFFFAOYSA-N 0 0 416.389 4.629 50 5 HJBARN C[C@H](c1ccc2c(c1)Cc1ccccc1-2)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000030835695 526069077 /nfs/dbraw/zinc/06/90/77/526069077.db2.gz HRFLHXWXJJMLHF-OAHLLOKOSA-N 0 0 408.479 4.548 50 5 HJBARN O=C(NCc1ccc(COCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000032925076 526659314 /nfs/dbraw/zinc/65/93/14/526659314.db2.gz JEDCOQPHFWSOSJ-UHFFFAOYSA-N 0 0 410.857 4.895 50 5 HJBARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000043435969 527280798 /nfs/dbraw/zinc/28/07/98/527280798.db2.gz PEFYVLDAWPXADM-UHFFFAOYSA-N 0 0 414.465 4.520 50 5 HJBARN COc1ccc(-c2csc3nc4c5ccccc5c(Cl)nn4c(=O)c23)cc1OC ZINC000000632074 557027291 /nfs/dbraw/zinc/02/72/91/557027291.db2.gz JVLNEVNQGNGFON-UHFFFAOYSA-N 0 0 423.881 4.795 50 5 HJBARN CCOC(=O)c1sc2nc3c4ccccc4c(-c4ccccc4)nn3c(=O)c2c1C ZINC000000719320 557069292 /nfs/dbraw/zinc/06/92/92/557069292.db2.gz KVLWHYIFYRCQKO-UHFFFAOYSA-N 0 0 415.474 4.610 50 5 HJBARN COc1cc(COc2cc(C)c3c(c2)oc(=O)c2ccccc23)cc(OC)c1OC ZINC000001156150 557214045 /nfs/dbraw/zinc/21/40/45/557214045.db2.gz MWBCFTLKWAFOGF-UHFFFAOYSA-N 0 0 406.434 4.859 50 5 biogenic HJBARN O=c1c2ccccc2oc2nc(-c3ccc(F)cc3)n(CCc3ccccc3)c(=O)c12 ZINC000002212968 557665115 /nfs/dbraw/zinc/66/51/15/557665115.db2.gz VIANPETXVBPKHK-UHFFFAOYSA-N 0 0 412.420 4.552 50 5 HJBARN COc1ccc2c(c1)oc1nc(C3CCCCC3)n(-c3ccccc3)c(=O)c1c2=O ZINC000002237106 557666779 /nfs/dbraw/zinc/66/67/79/557666779.db2.gz AFOGRLRMONQURX-UHFFFAOYSA-N 0 0 402.450 4.548 50 5 HJBARN Cc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1ccccc1Br ZINC000009861307 557850533 /nfs/dbraw/zinc/85/05/33/557850533.db2.gz ZYULKLBTDWSNGP-UHFFFAOYSA-N 0 0 421.294 4.864 50 5 HJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000004423577 558530730 /nfs/dbraw/zinc/53/07/30/558530730.db2.gz JAAWKRAHKICZOQ-UHFFFAOYSA-N 0 0 408.439 4.565 50 5 HJBARN O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000010985945 558641758 /nfs/dbraw/zinc/64/17/58/558641758.db2.gz IFVHAPGLAUVKAG-UHFFFAOYSA-N 0 0 402.863 4.710 50 5 HJBARN C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc([N+](=O)[O-])c4)o2)N3)C1 ZINC000004545096 558664528 /nfs/dbraw/zinc/66/45/28/558664528.db2.gz YBZUEVNADLWZBZ-JEOXALJRSA-N 0 0 409.467 4.895 50 5 HJBARN CCOC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CC[C@H](CC)C2 ZINC000004558421 558678725 /nfs/dbraw/zinc/67/87/25/558678725.db2.gz JZXIJOYJQUFQQY-LBPRGKRZSA-N 0 0 402.472 4.600 50 5 HJBARN CCCCOc1ccc(C2=NC(=CNc3ccc(Cl)c([N+](=O)[O-])c3)C(=O)O2)cc1 ZINC000004590647 558829068 /nfs/dbraw/zinc/82/90/68/558829068.db2.gz PECNRNXBLXLCLP-ATVHPVEESA-N 0 0 415.833 4.684 50 5 HJBARN Cc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013584198 558845100 /nfs/dbraw/zinc/84/51/00/558845100.db2.gz OEDXTABUSDHHRR-UHFFFAOYSA-N 0 0 413.433 4.592 50 5 HJBARN COc1ccc([N+](=O)[O-])cc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 ZINC000004660149 558869326 /nfs/dbraw/zinc/86/93/26/558869326.db2.gz YPWDOGOPNRXSNB-LAUBAEHRSA-N 0 0 407.451 4.907 50 5 HJBARN O=c1c2ccccc2nc(/C=C\c2c[nH]c3ccccc23)n1-c1ccc([N+](=O)[O-])cc1 ZINC000033247702 558916580 /nfs/dbraw/zinc/91/65/80/558916580.db2.gz QFBSTUWWRSFDJH-ZROIWOOFSA-N 0 0 408.417 4.946 50 5 HJBARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004724890 558923172 /nfs/dbraw/zinc/92/31/72/558923172.db2.gz DSSKUKCHXCRRDZ-UHFFFAOYSA-N 0 0 414.421 4.708 50 5 HJBARN O=C1OC(C=Cc2cccc([N+](=O)[O-])c2)=NC1=CNc1cc(Cl)ccc1Cl ZINC000004644354 558983263 /nfs/dbraw/zinc/98/32/63/558983263.db2.gz CVXFCRJSCBCLRO-LVVPDBGKSA-N 0 0 404.209 4.824 50 5 HJBARN CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)OCc1nc(-c2ccccc2)oc1C ZINC000023079013 558999221 /nfs/dbraw/zinc/99/92/21/558999221.db2.gz CRTLGBHNTVAWMJ-UHFFFAOYSA-N 0 0 409.442 4.761 50 5 HJBARN Cc1cccc(-n2c3nc4ccccc4nc3c3c2ncn(Cc2cccs2)c3=O)c1 ZINC000006150854 559057041 /nfs/dbraw/zinc/05/70/41/559057041.db2.gz QBPHUHJOCVQIMS-UHFFFAOYSA-N 0 0 423.501 4.702 50 5 HJBARN Cc1cc(C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)ccc1[N+](=O)[O-] ZINC000004958771 559216425 /nfs/dbraw/zinc/21/64/25/559216425.db2.gz AXJQNUCDCAGTPK-UHFFFAOYSA-N 0 0 414.849 4.657 50 5 HJBARN COc1ccc(NC(=O)c2sc3nc4cc(C)ccc4cc3c2N)c([N+](=O)[O-])c1 ZINC000004959802 559216904 /nfs/dbraw/zinc/21/69/04/559216904.db2.gz NJEWTIDOTKZQSW-UHFFFAOYSA-N 0 0 408.439 4.509 50 5 HJBARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000005065269 559239367 /nfs/dbraw/zinc/23/93/67/559239367.db2.gz BTZKCYWECBQQSB-UHFFFAOYSA-N 0 0 409.829 4.682 50 5 HJBARN CC(=O)Nc1ccc(Nc2c3ccccc3n(-c3ccccc3)c(=O)c2[N+](=O)[O-])cc1 ZINC000005067002 559239423 /nfs/dbraw/zinc/23/94/23/559239423.db2.gz RYKIKZDRYGCGCJ-UHFFFAOYSA-N 0 0 414.421 4.601 50 5 HJBARN CCc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)OCc2ccccc2[N+](=O)[O-])cc1 ZINC000005065563 559239437 /nfs/dbraw/zinc/23/94/37/559239437.db2.gz KOSMYOKIFSRFGR-UXHICEINSA-N 0 0 410.470 4.646 50 5 HJBARN Cc1c(C(=O)Nc2ccc3nn(-c4ccc(Cl)cc4)nc3c2)cccc1[N+](=O)[O-] ZINC000005107090 559245606 /nfs/dbraw/zinc/24/56/06/559245606.db2.gz ZNRLTXKQSUQJIR-UHFFFAOYSA-N 0 0 407.817 4.543 50 5 HJBARN Cc1nc(Nc2cccc(Br)c2)nc(N(C)c2ccccc2)c1[N+](=O)[O-] ZINC000005276884 560560745 /nfs/dbraw/zinc/56/07/45/560560745.db2.gz CHLNHBYQCCOREQ-UHFFFAOYSA-N 0 0 414.263 4.967 50 5 HJBARN CCC(=O)Oc1cn(-c2cccc(OC)c2)c2nc(CC)n3c4ccccc4nc3c12 ZINC000005454038 560589682 /nfs/dbraw/zinc/58/96/82/560589682.db2.gz FNYQMXVZWMTULS-UHFFFAOYSA-N 0 0 414.465 4.713 50 5 HJBARN CN(Cc1ccccc1)C(=O)CSc1nc2ccccc2c2nc3ccccc3n21 ZINC000003489580 560595741 /nfs/dbraw/zinc/59/57/41/560595741.db2.gz IGVJQPTYAVXYPP-UHFFFAOYSA-N 0 0 412.518 4.786 50 5 HJBARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000102781863 560827378 /nfs/dbraw/zinc/82/73/78/560827378.db2.gz SSGUMIPDUHRVEW-IYBDPMFKSA-N 0 0 413.861 4.540 50 5 HJBARN Cc1oc(-c2ccccc2)nc1COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000012257999 568456394 /nfs/dbraw/zinc/45/63/94/568456394.db2.gz GENYOXNDXVDHHZ-UHFFFAOYSA-N 0 0 407.426 4.515 50 5 HJBARN COc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)cc1[N+](=O)[O-] ZINC000000675495 568460580 /nfs/dbraw/zinc/46/05/80/568460580.db2.gz FTPOYPIGYJRWJL-UHFFFAOYSA-N 0 0 403.394 4.972 50 5 HJBARN Cc1ccc(-n2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1Cl ZINC000000678713 568460675 /nfs/dbraw/zinc/46/06/75/568460675.db2.gz WKAUWBCVXDFIKL-UHFFFAOYSA-N 0 0 421.844 4.851 50 5 HJBARN O=C(CSc1nc(-c2ccc(Br)cc2)c[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000020155684 568591019 /nfs/dbraw/zinc/59/10/19/568591019.db2.gz KTZLNBPAFREODW-UHFFFAOYSA-N 0 0 418.272 4.722 50 5 HJBARN CC(=O)N1N=C(c2ccccc2[N+](=O)[O-])O[C@]1(C)c1ccc(-c2ccccc2)cc1 ZINC000021090723 568664038 /nfs/dbraw/zinc/66/40/38/568664038.db2.gz HSSAFPYFIMXNSF-HSZRJFAPSA-N 0 0 401.422 4.675 50 5 HJBARN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c1 ZINC000024992808 568711382 /nfs/dbraw/zinc/71/13/82/568711382.db2.gz CDKLZODOQPXBOP-UHFFFAOYSA-N 0 0 413.480 4.627 50 5 HJBARN CC(=O)Nc1ccc(Oc2cc(NC(=O)c3cccc(F)c3)cc([N+](=O)[O-])c2)cc1 ZINC000000851699 568712383 /nfs/dbraw/zinc/71/23/83/568712383.db2.gz RQZDSIULKRPCQR-UHFFFAOYSA-N 0 0 409.373 4.737 50 5 HJBARN C[C@H](c1ccccc1)N(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)C1CCC1 ZINC000096277917 568716422 /nfs/dbraw/zinc/71/64/22/568716422.db2.gz JIMZDKQZTPRRIJ-MRXNPFEDSA-N 0 0 420.469 4.577 50 5 HJBARN Cc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n(-c2nc(-c3ccccc3)cs2)n1 ZINC000012441725 568724282 /nfs/dbraw/zinc/72/42/82/568724282.db2.gz SVCWNUCUSXTYMG-UHFFFAOYSA-N 0 0 419.466 4.773 50 5 HJBARN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cc(-n2cccn2)c(F)cc1[N+](=O)[O-] ZINC000025049149 568739588 /nfs/dbraw/zinc/73/95/88/568739588.db2.gz DEYHWHWJGNULPQ-UHFFFAOYSA-N 0 0 416.412 4.768 50 5 HJBARN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(Br)c1 ZINC000000939943 568750863 /nfs/dbraw/zinc/75/08/63/568750863.db2.gz PEVPPOGXUYTUTD-UHFFFAOYSA-N 0 0 404.245 4.733 50 5 HJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000000955036 568756895 /nfs/dbraw/zinc/75/68/95/568756895.db2.gz RMZQWQPYAYRUOD-NTEUORMPSA-N 0 0 404.422 4.834 50 5 HJBARN COc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])cc1OC ZINC000001011837 568762955 /nfs/dbraw/zinc/76/29/55/568762955.db2.gz AVBGCXHFLKQPEP-PXNMLYILSA-N 0 0 420.830 4.506 50 5 HJBARN CC(C)NC(=O)NC(=O)c1ccc(Oc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 ZINC000001047338 568764615 /nfs/dbraw/zinc/76/46/15/568764615.db2.gz KAPNTAPDFCWKJR-UHFFFAOYSA-N 0 0 412.229 4.542 50 5 HJBARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000001055249 568765079 /nfs/dbraw/zinc/76/50/79/568765079.db2.gz ZEHXNKBNBHYRDK-UHFFFAOYSA-N 0 0 412.707 4.626 50 5 HJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccccn2)nc2ccc(C)cc21 ZINC000001073407 568765186 /nfs/dbraw/zinc/76/51/86/568765186.db2.gz BXQLOHUPNPPQQJ-UHFFFAOYSA-N 0 0 414.421 4.774 50 5 HJBARN CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 ZINC000001079462 568765397 /nfs/dbraw/zinc/76/53/97/568765397.db2.gz HMTXNQBDBWMXFK-UHFFFAOYSA-N 0 0 402.863 4.502 50 5 HJBARN CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CC[C@@H](C)C2 ZINC000001067912 568766722 /nfs/dbraw/zinc/76/67/22/568766722.db2.gz FQZHDSTUFDOPRP-SNVBAGLBSA-N 0 0 422.890 4.864 50 5 HJBARN CC[C@H](Oc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC000001108778 568768584 /nfs/dbraw/zinc/76/85/84/568768584.db2.gz FCBUIIMSJSYVKP-NRFANRHFSA-N 0 0 404.422 4.887 50 5 HJBARN Cc1ccc(C(=O)[C@@H](C)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000001112077 568770582 /nfs/dbraw/zinc/77/05/82/568770582.db2.gz WZZQTFDVWNBVOA-MRXNPFEDSA-N 0 0 404.422 4.806 50 5 HJBARN CC(=O)Nc1ccc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1 ZINC000001121645 568771146 /nfs/dbraw/zinc/77/11/46/568771146.db2.gz YNUTZXWIECTIDX-UHFFFAOYSA-N 0 0 407.451 4.957 50 5 HJBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000001122671 568771437 /nfs/dbraw/zinc/77/14/37/568771437.db2.gz RMSZKMKNSLYIFD-UHFFFAOYSA-N 0 0 401.378 4.669 50 5 HJBARN O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1Cc1ccc(Cl)cc1 ZINC000001148434 568772711 /nfs/dbraw/zinc/77/27/11/568772711.db2.gz XXVZYYWALPKNCV-UHFFFAOYSA-N 0 0 408.797 4.837 50 5 HJBARN O=C(Cn1nnc2ccccc21)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000002751224 568806395 /nfs/dbraw/zinc/80/63/95/568806395.db2.gz MQGWDWRVTZVUDK-UHFFFAOYSA-N 0 0 408.801 4.668 50 5 HJBARN O=C(Nc1ccn(Cc2c(F)cccc2Cl)n1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000002762891 568807307 /nfs/dbraw/zinc/80/73/07/568807307.db2.gz OWERMNUEDCZZPX-UHFFFAOYSA-N 0 0 409.204 4.538 50 5 HJBARN CC(C)c1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C(N)=O)cc1 ZINC000002776129 568807843 /nfs/dbraw/zinc/80/78/43/568807843.db2.gz NSFXUGNLBIWLBV-UHFFFAOYSA-N 0 0 409.467 4.798 50 5 HJBARN Cc1sc2ncn3nc(-c4ccc(COc5ccccc5[N+](=O)[O-])o4)nc3c2c1C ZINC000002791636 568809807 /nfs/dbraw/zinc/80/98/07/568809807.db2.gz YURMINKJWUWIIW-UHFFFAOYSA-N 0 0 421.438 4.703 50 5 HJBARN Cc1cccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccncc2)c1 ZINC000002837144 568812611 /nfs/dbraw/zinc/81/26/11/568812611.db2.gz QRJHWAFYWLROKG-UHFFFAOYSA-N 0 0 403.467 4.838 50 5 HJBARN Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)ccc2o1 ZINC000028911227 568813116 /nfs/dbraw/zinc/81/31/16/568813116.db2.gz UTRIHWGCXCFAAQ-VIFPVBQESA-N 0 0 408.336 4.502 50 5 HJBARN CC(C)(C)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000002849605 568813136 /nfs/dbraw/zinc/81/31/36/568813136.db2.gz CYUGLEXQWSVEDN-UHFFFAOYSA-N 0 0 407.264 4.672 50 5 HJBARN O=C(COc1ccc(Br)cc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000002874150 568813961 /nfs/dbraw/zinc/81/39/61/568813961.db2.gz SNGALVYAGGGEPU-UHFFFAOYSA-N 0 0 420.046 4.682 50 5 HJBARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000001185638 568821859 /nfs/dbraw/zinc/82/18/59/568821859.db2.gz VVOZPTWDEGFQCN-UHFFFAOYSA-N 0 0 407.817 4.543 50 5 HJBARN Cc1nn(C(=O)COc2ccc(Cl)cc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 ZINC000001189925 568822124 /nfs/dbraw/zinc/82/21/24/568822124.db2.gz LSOZOUPBVQUNAW-UHFFFAOYSA-N 0 0 417.874 4.932 50 5 HJBARN Cc1c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000029292576 568824098 /nfs/dbraw/zinc/82/40/98/568824098.db2.gz BIIVOKITJIAIRU-GFCCVEGCSA-N 0 0 418.375 4.599 50 5 HJBARN CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCCCC2 ZINC000001218018 568824859 /nfs/dbraw/zinc/82/48/59/568824859.db2.gz YSQUJDFHRFRCHQ-UHFFFAOYSA-N 0 0 402.472 4.744 50 5 HJBARN CC[C@@H](C)[C@@H]1N=C2c3ccccc3N=C(SCc3ccc([N+](=O)[O-])cc3)N2C1=O ZINC000002964575 568830830 /nfs/dbraw/zinc/83/08/30/568830830.db2.gz AJCCIHWETJSUPB-ACJLOTCBSA-N 0 0 408.483 4.533 50 5 HJBARN O=C1S/C(=C\c2ccc(Br)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000002993074 568835878 /nfs/dbraw/zinc/83/58/78/568835878.db2.gz CUDQXAVKHAXSAU-DHDCSXOGSA-N 0 0 419.256 4.594 50 5 HJBARN CC[C@@H](C(=O)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1ccccc1 ZINC000003008084 568836879 /nfs/dbraw/zinc/83/68/79/568836879.db2.gz CNVUOLGWCXKUGQ-QGZVFWFLSA-N 0 0 408.483 4.660 50 5 HJBARN O=c1c2ccccc2nc(/C=C/c2c[nH]c3ccc(O)cc23)n1-c1ccc([N+](=O)[O-])cc1 ZINC000057462953 568838364 /nfs/dbraw/zinc/83/83/64/568838364.db2.gz BRTVOZNERZHERO-LFYBBSHMSA-N 0 0 424.416 4.651 50 5 HJBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc(Cl)cc2cccnc21 ZINC000012546042 568850411 /nfs/dbraw/zinc/85/04/11/568850411.db2.gz XXVWEUVQTXVXOG-UHFFFAOYSA-N 0 0 413.864 4.995 50 5 HJBARN O=C(/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1ccc(Br)cc1 ZINC000003196965 568860632 /nfs/dbraw/zinc/86/06/32/568860632.db2.gz WEYHJBOGSFMPCX-UNXLUWIOSA-N 0 0 413.174 4.611 50 5 HJBARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000003194337 568860960 /nfs/dbraw/zinc/86/09/60/568860960.db2.gz CWVYTNKXAIDZTP-UHFFFAOYSA-N 0 0 410.451 4.681 50 5 HJBARN COc1cc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2cc1OC ZINC000015391404 568885139 /nfs/dbraw/zinc/88/51/39/568885139.db2.gz VBFSBZJQOUBDFD-UHFFFAOYSA-N 0 0 415.452 4.689 50 5 HJBARN COC(=O)c1cccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc32)c1 ZINC000001304017 568913531 /nfs/dbraw/zinc/91/35/31/568913531.db2.gz XXKHVDXGIFWUES-UHFFFAOYSA-N 0 0 400.394 4.735 50 5 HJBARN COc1ccc(OC)c(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)c1 ZINC000003559302 568915609 /nfs/dbraw/zinc/91/56/09/568915609.db2.gz ONKFLABGECBELU-UHFFFAOYSA-N 0 0 419.846 4.641 50 5 HJBARN COc1cccc2c1O[C@H](c1ccc([N+](=O)[O-])cc1)N1N[C@@H](c3ccc(C)cc3)C[C@@H]21 ZINC000019171736 568917281 /nfs/dbraw/zinc/91/72/81/568917281.db2.gz LFNIEMJFVXENHE-ZFGGDYGUSA-N 0 0 417.465 4.996 50 5 HJBARN Cc1nn(C(C)(C)C)c(OC(=O)c2ccco2)c1Sc1ccccc1[N+](=O)[O-] ZINC000003665081 568923918 /nfs/dbraw/zinc/92/39/18/568923918.db2.gz ILSNYFTYTIGNDR-UHFFFAOYSA-N 0 0 401.444 4.818 50 5 HJBARN O=c1c([N+](=O)[O-])c(Oc2ccc(-c3nc4ccccc4s3)cc2)nc2ccccn21 ZINC000012766617 568948735 /nfs/dbraw/zinc/94/87/35/568948735.db2.gz IKLURZODLMBJDI-UHFFFAOYSA-N 0 0 416.418 4.672 50 5 HJBARN CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012773571 568953246 /nfs/dbraw/zinc/95/32/46/568953246.db2.gz WAPRLDWWEDKHSD-UHFFFAOYSA-N 0 0 407.455 4.901 50 5 HJBARN C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000084655986 568954743 /nfs/dbraw/zinc/95/47/43/568954743.db2.gz MGJLKEZNJXSPOL-VIFPVBQESA-N 0 0 417.181 4.867 50 5 HJBARN Cc1cc(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)ccc1[N+](=O)[O-] ZINC000012798245 568976351 /nfs/dbraw/zinc/97/63/51/568976351.db2.gz RGOGDKHOQYZXKM-UHFFFAOYSA-N 0 0 405.458 4.531 50 5 HJBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc2ccccc2c1Br ZINC000008398727 568998197 /nfs/dbraw/zinc/99/81/97/568998197.db2.gz HTPFKAUTIDMBMT-UHFFFAOYSA-N 0 0 415.243 4.836 50 5 HJBARN CC(C)OC(=O)c1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc2c1CC[C@H](C)C2 ZINC000006253659 569035329 /nfs/dbraw/zinc/03/53/29/569035329.db2.gz PJRYCXBHIBYUIP-ZDUSSCGKSA-N 0 0 416.499 4.528 50 5 HJBARN COc1ccc2cc(Br)ccc2c1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000016448223 569051475 /nfs/dbraw/zinc/05/14/75/569051475.db2.gz ZSUQWFJAWOAEEU-UHFFFAOYSA-N 0 0 415.243 4.700 50 5 HJBARN O=C(N[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000006444565 569052857 /nfs/dbraw/zinc/05/28/57/569052857.db2.gz DVCJERCOQMMOQB-CQSZACIVSA-N 0 0 423.083 4.786 50 5 HJBARN CCCOc1ccc(-c2csc3ncn(Cc4ccc([N+](=O)[O-])cc4)c(=O)c23)cc1 ZINC000001912011 569058644 /nfs/dbraw/zinc/05/86/44/569058644.db2.gz KYBPITZLLRJQIJ-UHFFFAOYSA-N 0 0 421.478 4.870 50 5 HJBARN C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000006589303 569068065 /nfs/dbraw/zinc/06/80/65/569068065.db2.gz YBCUFGOWBQKXJR-LLVKDONJSA-N 0 0 403.460 4.977 50 5 HJBARN Cc1ccc([C@@H](C)N(c2ccc(F)cc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000036247678 569117146 /nfs/dbraw/zinc/11/71/46/569117146.db2.gz GAPIHEWXHSQTOY-MRXNPFEDSA-N 0 0 414.458 4.999 50 5 HJBARN COc1ccc(NC(=O)c2sc(-c3ccccc3Cl)nc2C)c([N+](=O)[O-])c1 ZINC000064896877 569118655 /nfs/dbraw/zinc/11/86/55/569118655.db2.gz AYOJULGYLPVFMQ-UHFFFAOYSA-N 0 0 403.847 4.941 50 5 HJBARN CCc1cc(Oc2ccc3c(c2)OCO3)nc(SCc2cccc([N+](=O)[O-])c2)n1 ZINC000036350222 569147287 /nfs/dbraw/zinc/14/72/87/569147287.db2.gz QROUFWZSYWOWGS-UHFFFAOYSA-N 0 0 411.439 4.761 50 5 HJBARN Cc1nc2ccc(C(=O)OCc3cc(=O)oc4ccc5ccccc5c34)cc2nc1C ZINC000006848345 569153699 /nfs/dbraw/zinc/15/36/99/569153699.db2.gz WDKSJKOUPXFMTQ-UHFFFAOYSA-N 0 0 410.429 4.863 50 5 HJBARN O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H](c1cccs1)c1ccccc1 ZINC000007024458 569201424 /nfs/dbraw/zinc/20/14/24/569201424.db2.gz IAARWMPJSZHUBX-LJQANCHMSA-N 0 0 402.859 4.594 50 5 HJBARN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000036636375 569214586 /nfs/dbraw/zinc/21/45/86/569214586.db2.gz IKPBUGXIJBOERO-UHFFFAOYSA-N 0 0 414.676 4.517 50 5 HJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000009909877 569251598 /nfs/dbraw/zinc/25/15/98/569251598.db2.gz DKJBYZQUQIXMNX-UHFFFAOYSA-N 0 0 408.254 4.893 50 5 HJBARN Cc1ccc(-c2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc3sc(=O)oc32)cc1 ZINC000016742248 569262086 /nfs/dbraw/zinc/26/20/86/569262086.db2.gz KSKKFJZSVUPSTJ-UHFFFAOYSA-N 0 0 407.403 4.957 50 5 HJBARN COc1ccc(-c2csc(-c3cc4cccc([N+](=O)[O-])c4oc3=O)n2)cc1OC ZINC000002207381 569296859 /nfs/dbraw/zinc/29/68/59/569296859.db2.gz IPUMDJLXUNARJC-UHFFFAOYSA-N 0 0 410.407 4.509 50 5 HJBARN COc1cc(C(=O)Nc2nccs2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000007654798 569299115 /nfs/dbraw/zinc/29/91/15/569299115.db2.gz KDGWFUIUHLTWIU-UHFFFAOYSA-N 0 0 405.819 4.758 50 5 HJBARN CCCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccc(CC)cc2)c1=O ZINC000002333690 569375208 /nfs/dbraw/zinc/37/52/08/569375208.db2.gz RKXWYNDUBZDCHJ-UHFFFAOYSA-N 0 0 411.509 4.955 50 5 HJBARN CC[C@@H](C)n1cnc2c(c3nc4ccccc4nc3n2-c2cccc(Cl)c2)c1=O ZINC000002422518 569398136 /nfs/dbraw/zinc/39/81/36/569398136.db2.gz XASOEAORIYQBIF-CYBMUJFWSA-N 0 0 403.873 4.908 50 5 HJBARN CCCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1Br ZINC000012137646 569399640 /nfs/dbraw/zinc/39/96/40/569399640.db2.gz MUCWDZYKQUPFLH-UHFFFAOYSA-N 0 0 423.263 4.797 50 5 HJBARN CCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccc(Cl)cc2)c1=O ZINC000002439748 569400145 /nfs/dbraw/zinc/40/01/45/569400145.db2.gz WYVZPYRDCSKYCA-UHFFFAOYSA-N 0 0 403.873 4.655 50 5 HJBARN CCn1c2ccccc2c(=O)c(-c2ccccc2)c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002442506 569400846 /nfs/dbraw/zinc/40/08/46/569400846.db2.gz ZCNAWCVVPNXFNS-UHFFFAOYSA-N 0 0 413.433 4.849 50 5 HJBARN CC1(C)[C@@H]([N+](=O)[O-])[C@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@H]1[N+](=O)[O-] ZINC000013146651 569409873 /nfs/dbraw/zinc/40/98/73/569409873.db2.gz XLUWPBDJPCVERE-XLAORIBOSA-N 0 0 424.284 4.696 50 5 aggregator HJBARN COc1ccc(-c2noc(-c3ccc(NC4CCCC4)c([N+](=O)[O-])c3)n2)cc1OC ZINC000008586961 571083474 /nfs/dbraw/zinc/08/34/74/571083474.db2.gz AXBZPQPYSRGTLU-UHFFFAOYSA-N 0 0 410.430 4.684 50 5 aggregator HJBARN COc1cccc(C2=NN(C(=O)c3cccs3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000008941099 571168539 /nfs/dbraw/zinc/16/85/39/571168539.db2.gz HYQFMXDZZOBGDM-LJQANCHMSA-N 0 0 407.451 4.656 50 5 HJBARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(NCCC4=CCCCC4)c([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000245343023 571225919 /nfs/dbraw/zinc/22/59/19/571225919.db2.gz CCQQOTBPMUURGU-MNEFBYGVSA-N 0 0 411.502 4.823 50 5 HJBARN O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000009129498 571227337 /nfs/dbraw/zinc/22/73/37/571227337.db2.gz BPVSNAKMWFKDPJ-UHFFFAOYSA-N 0 0 421.581 4.864 50 5 HJBARN C[C@@H]1CCc2sc3c(c2C1)c1ncnn1c1nnc(SCc2ccc(F)cc2)n31 ZINC000009307348 571246902 /nfs/dbraw/zinc/24/69/02/571246902.db2.gz ZPPDQGMHLFWEFV-LLVKDONJSA-N 0 0 424.530 4.543 50 5 HJBARN O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000009425998 571257842 /nfs/dbraw/zinc/25/78/42/571257842.db2.gz QJDBJKNOFSXJIB-UHFFFAOYSA-N 0 0 401.850 4.563 50 5 HJBARN Cc1ccc(-c2noc(CN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)n2)cc1 ZINC000009582079 571271001 /nfs/dbraw/zinc/27/10/01/571271001.db2.gz YOIKKAIDBZGYCH-UHFFFAOYSA-N 0 0 414.849 4.657 50 5 HJBARN COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1[N+](=O)[O-] ZINC000001311390 132243928 /nfs/dbraw/zinc/24/39/28/132243928.db2.gz OLGTZZANROFAEV-UHFFFAOYSA-N 0 0 423.391 4.865 50 5 HJBARN O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000005027996 132298659 /nfs/dbraw/zinc/29/86/59/132298659.db2.gz XEJUIECEXIBYII-UHFFFAOYSA-N 0 0 416.481 4.823 50 5 HJBARN COc1ccc(-c2noc(-c3ccc(N4CCCC[C@@H]4C)c([N+](=O)[O-])c3)n2)cc1OC ZINC000008586925 132330493 /nfs/dbraw/zinc/33/04/93/132330493.db2.gz ULZKHFMBYMPRTQ-AWEZNQCLSA-N 0 0 424.457 4.708 50 5 HJBARN C[C@@H]1CCCN(c2ccc(C(=O)OCC(=O)c3ccc(Cl)s3)cc2[N+](=O)[O-])C1 ZINC000012660896 132365848 /nfs/dbraw/zinc/36/58/48/132365848.db2.gz FURGVFSGEISKMF-GFCCVEGCSA-N 0 0 422.890 4.586 50 5 HJBARN Cc1ccc([C@@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)N2Cc3ccccc3C2=O)cc1 ZINC000020561826 525756830 /nfs/dbraw/zinc/75/68/30/525756830.db2.gz BQCYWPFTOHGYBQ-JOCHJYFZSA-N 0 0 415.449 4.629 50 5 HJBARN O=C(NCc1ccc(COCc2ccccc2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000032925075 526658603 /nfs/dbraw/zinc/65/86/03/526658603.db2.gz GORPQKQWIRLIEJ-UHFFFAOYSA-N 0 0 410.857 4.895 50 5 HJBARN O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC000008767534 527260743 /nfs/dbraw/zinc/26/07/43/527260743.db2.gz RKBLJJUMYQOKEY-ZHZULCJRSA-N 0 0 421.840 4.658 50 5 HJBARN CCCC(=O)Oc1cn(C[C@H]2CCCO2)c2nc(CCC)n3c4ccccc4nc3c12 ZINC000013211632 558525663 /nfs/dbraw/zinc/52/56/63/558525663.db2.gz ORMANWMJTVIBRS-MRXNPFEDSA-N 0 0 420.513 4.674 50 5 HJBARN CCCN(CCC)C(=O)c1cc(-c2ccc(OC)cc2)nn1-c1cccc([N+](=O)[O-])c1 ZINC000004594193 558832008 /nfs/dbraw/zinc/83/20/08/558832008.db2.gz KJUIYNJZLXHJHP-UHFFFAOYSA-N 0 0 422.485 4.718 50 5 HJBARN Cc1cccc(C(C)(C)C)c1Sc1cc(NCCCO)c([N+](=O)[O-])c2nonc21 ZINC000004672872 558884763 /nfs/dbraw/zinc/88/47/63/558884763.db2.gz VFYXZWKPZJFZPP-UHFFFAOYSA-N 0 0 416.503 4.682 50 5 HJBARN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000004683626 558894719 /nfs/dbraw/zinc/89/47/19/558894719.db2.gz SSGUMIPDUHRVEW-HOTGVXAUSA-N 0 0 413.861 4.540 50 5 HJBARN O=C1NC(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1c1cccc(Cl)c1 ZINC000004699387 558901231 /nfs/dbraw/zinc/90/12/31/558901231.db2.gz YTBJQKIBAHQWRB-GZTJUZNOSA-N 0 0 409.785 4.606 50 5 HJBARN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000004701803 558906606 /nfs/dbraw/zinc/90/66/06/558906606.db2.gz QZRZUNIEYRWMPC-UHFFFAOYSA-N 0 0 407.879 4.554 50 5 HJBARN COc1ccc(/N=c2\oc3ccc([N+](=O)[O-])cc3cc2C(=O)Nc2ccccc2)cc1 ZINC000013942967 558984999 /nfs/dbraw/zinc/98/49/99/558984999.db2.gz FYTWUWQARJSLJC-BZZOAKBMSA-N 0 0 415.405 4.834 50 5 HJBARN O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@H]3c3nc4ccccc4[nH]3)cs2)c1 ZINC000097105287 558993860 /nfs/dbraw/zinc/99/38/60/558993860.db2.gz SVBYJAAJDIDKLM-IBGZPJMESA-N 0 0 405.483 4.932 50 5 HJBARN CCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004767978 559055387 /nfs/dbraw/zinc/05/53/87/559055387.db2.gz CEHKDXMYGMEFEP-NRFANRHFSA-N 0 0 420.469 4.967 50 5 HJBARN O=[N+]([O-])c1cc(Br)ccc1-c1ccc(Br)cc1[N+](=O)[O-] ZINC000072206763 559167615 /nfs/dbraw/zinc/16/76/15/559167615.db2.gz REUCYFQYHWKXPH-UHFFFAOYSA-N 0 0 401.998 4.695 50 5 HJBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C[C@H](c1ccc(Cl)cc1)OC2=O ZINC000011689826 559177718 /nfs/dbraw/zinc/17/77/18/559177718.db2.gz FSESSJPXLVIHGD-HXUWFJFHSA-N 0 0 422.824 4.955 50 5 HJBARN COc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1cccc([N+](=O)[O-])c1)O2 ZINC000004858263 559192796 /nfs/dbraw/zinc/19/27/96/559192796.db2.gz VTKZDTUTWZFSRQ-GMAHTHKFSA-N 0 0 401.422 4.846 50 5 HJBARN O=[N+]([O-])c1ccc(-c2ccc(CN3CCN(C/C=C/c4ccccc4)CC3)o2)cc1 ZINC000004986201 559223388 /nfs/dbraw/zinc/22/33/88/559223388.db2.gz YMFYFEJLPATYIC-QPJJXVBHSA-N 0 0 403.482 4.686 50 5 HJBARN CCOc1c(OC(C)=O)ccc(/C=C/c2ccc3cccc(OC)c3n2)c1[N+](=O)[O-] ZINC000004998307 559225257 /nfs/dbraw/zinc/22/52/57/559225257.db2.gz AIUMIBUKVGTSAM-FMIVXFBMSA-N 0 0 408.410 4.646 50 5 HJBARN CC[C@@H](C)n1c(C)nc2c(c3nc4ccccc4nc3n2-c2cccc(F)c2)c1=O ZINC000005021724 559229405 /nfs/dbraw/zinc/22/94/05/559229405.db2.gz ZUWXVTGSNNTBIB-CYBMUJFWSA-N 0 0 401.445 4.702 50 5 HJBARN CCCCCCn1c2nc3ccccc3nc2c2c1ncn(Cc1cccs1)c2=O ZINC000005030678 559230819 /nfs/dbraw/zinc/23/08/19/559230819.db2.gz WCNDNGLWZIVJAS-UHFFFAOYSA-N 0 0 417.538 4.985 50 5 HJBARN Cc1ccc(C(=O)N2CCN=C2SCc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000011757741 559257774 /nfs/dbraw/zinc/25/77/74/559257774.db2.gz RUUWQYBQJRKGST-UHFFFAOYSA-N 0 0 423.416 4.667 50 5 HJBARN Cc1ccc([C@@H]2Cc3cc(C(=O)Nc4ccc([N+](=O)[O-])cc4C)ccc3C(=O)O2)cc1 ZINC000011851802 559262074 /nfs/dbraw/zinc/26/20/74/559262074.db2.gz OOPJFCFGKIKZIH-QFIPXVFZSA-N 0 0 416.433 4.918 50 5 HJBARN COc1ccc2c(c1)oc1nc(-c3ccc(F)cc3)n3c4ccccc4nc3c1c2=O ZINC000005209066 560538840 /nfs/dbraw/zinc/53/88/40/560538840.db2.gz ZYGMWBASMMYNDR-UHFFFAOYSA-N 0 0 411.392 4.957 50 5 HJBARN Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3cc([N+](=O)[O-])ccc3Cl)NC(=O)CCN21 ZINC000005216241 560543585 /nfs/dbraw/zinc/54/35/85/560543585.db2.gz TUAVOUGISZUPSM-RCHCNPRSSA-N 0 0 411.889 4.584 50 5 HJBARN Nc1nc(NCc2ccc(Cl)cc2)nc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000005253103 560551796 /nfs/dbraw/zinc/55/17/96/560551796.db2.gz UKSVFXUKXXEGBY-UHFFFAOYSA-N 0 0 405.245 4.630 50 5 HJBARN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCCCO2 ZINC000005407906 560583528 /nfs/dbraw/zinc/58/35/28/560583528.db2.gz UJCYVQXOBZUYPL-IBGZPJMESA-N 0 0 404.850 4.537 50 5 HJBARN CCCCn1nc(NC(=O)c2cccc([N+](=O)[O-])c2)c2cc3cc(C)ccc3nc21 ZINC000005500176 560598382 /nfs/dbraw/zinc/59/83/82/560598382.db2.gz JYURBZBNBLCIAA-UHFFFAOYSA-N 0 0 403.442 4.854 50 5 HJBARN Cc1ccc(N(Cc2ccco2)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000005570845 560623477 /nfs/dbraw/zinc/62/34/77/560623477.db2.gz QXORBRSJPDPDGO-UHFFFAOYSA-N 0 0 405.454 4.943 50 5 HJBARN COc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c([N+](=O)[O-])cc1OC ZINC000015009930 560766852 /nfs/dbraw/zinc/76/68/52/560766852.db2.gz CDFNCPUYNURQNP-APSNUPSMSA-N 0 0 420.830 4.506 50 5 HJBARN O=C1[C@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000101812745 560802412 /nfs/dbraw/zinc/80/24/12/560802412.db2.gz FBJWYSYZIRRIOH-NVPYSNMXSA-N 0 0 424.456 4.838 50 5 HJBARN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)Sc3ccccc32)cc1OC ZINC000024585757 560861784 /nfs/dbraw/zinc/86/17/84/560861784.db2.gz WBZIOZFEJQRXSF-CYBMUJFWSA-N 0 0 402.472 4.533 50 5 HJBARN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)Sc3ccccc32)cc1OC ZINC000024585761 560861785 /nfs/dbraw/zinc/86/17/85/560861785.db2.gz WBZIOZFEJQRXSF-ZDUSSCGKSA-N 0 0 402.472 4.533 50 5 HJBARN O=[N+]([O-])c1ccc(-c2noc(CN3Cc4ccccc4[C@H](c4ccccc4)C3)n2)cc1 ZINC000048289000 568434893 /nfs/dbraw/zinc/43/48/93/568434893.db2.gz HWGMOWWMTVAAJU-QFIPXVFZSA-N 0 0 412.449 4.793 50 5 HJBARN CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc2c1CC[C@@H](C)C2 ZINC000000687062 568461385 /nfs/dbraw/zinc/46/13/85/568461385.db2.gz BANLJESPLPQYPH-LLVKDONJSA-N 0 0 402.472 4.519 50 5 HJBARN CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CC[C@H](C)C2 ZINC000000799284 568483629 /nfs/dbraw/zinc/48/36/29/568483629.db2.gz VFPZPJSTVRKVCX-JTQLQIEISA-N 0 0 422.890 4.864 50 5 HJBARN COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000000834231 568501526 /nfs/dbraw/zinc/50/15/26/568501526.db2.gz ZWOULIHSUSELOA-UHFFFAOYSA-N 0 0 410.813 4.740 50 5 HJBARN CC(C)[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nc(-c2ccncc2)no1 ZINC000095348906 568600202 /nfs/dbraw/zinc/60/02/02/568600202.db2.gz DTOSNEGSAWHJTK-FQEVSTJZSA-N 0 0 419.441 4.787 50 5 HJBARN COc1ccc(N2C(=O)c3ccc(Oc4ccc(C)c(C)c4)cc3C2=O)c([N+](=O)[O-])c1 ZINC000020394952 568603686 /nfs/dbraw/zinc/60/36/86/568603686.db2.gz OZPBZXUIYNREOZ-UHFFFAOYSA-N 0 0 418.405 4.813 50 5 HJBARN COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2c1c(C1CC1)nn2-c1ccccc1 ZINC000020614374 568636486 /nfs/dbraw/zinc/63/64/86/568636486.db2.gz PFLAPUGCJYQBMJ-UHFFFAOYSA-N 0 0 414.421 4.660 50 5 HJBARN Cc1ccc(/N=c2\oc3ccc([N+](=O)[O-])cc3cc2C(=O)Nc2nccs2)c(C)c1 ZINC000020616607 568638405 /nfs/dbraw/zinc/63/84/05/568638405.db2.gz NBTZJSAGKQOKGO-ATJXCDBQSA-N 0 0 420.450 4.899 50 5 HJBARN CC[C@@H](C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096276018 568714875 /nfs/dbraw/zinc/71/48/75/568714875.db2.gz CGTMSSSFRKEVCU-PXAZEXFGSA-N 0 0 414.849 4.815 50 5 HJBARN CC[C@H](C)N(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)/C=C/c1ccccc1 ZINC000096277001 568715539 /nfs/dbraw/zinc/71/55/39/568715539.db2.gz IHAXWYZDSDMXQM-UJGDBWEASA-N 0 0 420.469 4.528 50 5 HJBARN Cc1ccc(F)c([C@@H](CC(=O)NCc2ccco2)c2c[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000096287404 568719393 /nfs/dbraw/zinc/71/93/93/568719393.db2.gz WGDHFIUZYDTDCP-QGZVFWFLSA-N 0 0 421.428 4.955 50 5 HJBARN O=C(NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000000878047 568726351 /nfs/dbraw/zinc/72/63/51/568726351.db2.gz HZVOVRGGJYGFHB-UHFFFAOYSA-N 0 0 418.434 4.530 50 5 HJBARN Cc1ccc(SCc2nc3ccccc3c3nc(=O)c(-c4ccccc4)nn23)cc1 ZINC000239807487 568730071 /nfs/dbraw/zinc/73/00/71/568730071.db2.gz CSJAKLSSSVMJMS-UHFFFAOYSA-N 0 0 410.502 4.905 50 5 HJBARN CC(=O)Nc1ccc(Oc2cc([N+](=O)[O-])cc3c2C(=O)Nc2ccccc2O3)cc1 ZINC000000968753 568758702 /nfs/dbraw/zinc/75/87/02/568758702.db2.gz ZUJGMAISUQUDCR-UHFFFAOYSA-N 0 0 405.366 4.704 50 5 HJBARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001009061 568761240 /nfs/dbraw/zinc/76/12/40/568761240.db2.gz XMMYBHVBOXOSAT-UHFFFAOYSA-N 0 0 410.451 4.676 50 5 HJBARN Cc1ccc(OCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 ZINC000022052541 568764374 /nfs/dbraw/zinc/76/43/74/568764374.db2.gz GBAKOAJENOPCAR-UHFFFAOYSA-N 0 0 400.818 4.512 50 5 HJBARN O=C(NC(=S)Nc1ccc(/C=C/c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000001058650 568765094 /nfs/dbraw/zinc/76/50/94/568765094.db2.gz PQPGVDSFHPWHFJ-ZHACJKMWSA-N 0 0 403.463 4.892 50 5 HJBARN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3n2)cc1 ZINC000001071071 568765200 /nfs/dbraw/zinc/76/52/00/568765200.db2.gz XESLQGBZNJVMQO-UHFFFAOYSA-N 0 0 415.453 4.760 50 5 HJBARN O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000001068112 568766038 /nfs/dbraw/zinc/76/60/38/568766038.db2.gz PNQITDNONQDOJD-UHFFFAOYSA-N 0 0 407.813 4.986 50 5 HJBARN COc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1[N+](=O)[O-] ZINC000001137100 568773503 /nfs/dbraw/zinc/77/35/03/568773503.db2.gz YSSBFLWBYBGAKL-UHFFFAOYSA-N 0 0 408.439 4.565 50 5 HJBARN CC1CCN(C(=S)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 ZINC000001156743 568775136 /nfs/dbraw/zinc/77/51/36/568775136.db2.gz HHKIKOZCXDNPMW-UHFFFAOYSA-N 0 0 418.902 4.875 50 5 HJBARN O=C(Nc1ccc(Br)c2cccnc12)c1ccc([N+](=O)[O-])cc1Cl ZINC000001164565 568775181 /nfs/dbraw/zinc/77/51/81/568775181.db2.gz XTUBFHYRTVJKFM-UHFFFAOYSA-N 0 0 406.623 4.811 50 5 HJBARN CC[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2C(=O)OC)C1 ZINC000002755566 568806524 /nfs/dbraw/zinc/80/65/24/568806524.db2.gz OCPZXWRLQWSWTC-LBPRGKRZSA-N 0 0 402.472 4.519 50 5 HJBARN CC(C)OC(=O)c1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc2c1CCC2 ZINC000002764085 568807540 /nfs/dbraw/zinc/80/75/40/568807540.db2.gz KSUUWMNVGHLPHE-UHFFFAOYSA-N 0 0 408.863 4.616 50 5 HJBARN O=C(N[C@H](Oc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000025558905 568821331 /nfs/dbraw/zinc/82/13/31/568821331.db2.gz WELZDMULZBSZRE-CQSZACIVSA-N 0 0 424.067 4.753 50 5 HJBARN CCc1c(C)sc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)OC(C)C ZINC000001200547 568823220 /nfs/dbraw/zinc/82/32/20/568823220.db2.gz VHXRHOHFYDEMPD-UHFFFAOYSA-N 0 0 410.879 4.998 50 5 HJBARN CCc1c(C)sc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C(=O)OC(C)C ZINC000001201028 568823241 /nfs/dbraw/zinc/82/32/41/568823241.db2.gz MLCMGNTVYQKTON-UHFFFAOYSA-N 0 0 410.879 4.998 50 5 HJBARN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cccc(Br)c1 ZINC000002978944 568831763 /nfs/dbraw/zinc/83/17/63/568831763.db2.gz NGPRVGMVBLHVTJ-UHFFFAOYSA-N 0 0 404.245 4.733 50 5 HJBARN O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000003008133 568837076 /nfs/dbraw/zinc/83/70/76/568837076.db2.gz UTXRAXRTXAIRMT-UHFFFAOYSA-N 0 0 418.837 4.572 50 5 HJBARN CN(Cc1c(F)cccc1Cl)C(=O)COc1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000012522150 568842046 /nfs/dbraw/zinc/84/20/46/568842046.db2.gz XGNUSSRUQJJGSL-UHFFFAOYSA-N 0 0 424.859 4.511 50 5 HJBARN CN(C(=O)CN1CCC[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000058104473 568885979 /nfs/dbraw/zinc/88/59/79/568885979.db2.gz VQFHNFMHSXRIKV-SFHVURJKSA-N 0 0 408.285 4.702 50 5 HJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1cc(Cl)c(Cl)cc1Cl ZINC000003444159 568904326 /nfs/dbraw/zinc/90/43/26/568904326.db2.gz YDWUJBCULOCUKD-MRVPVSSYSA-N 0 0 419.648 4.970 50 5 HJBARN COc1ccc2nc3ccccc3nc2c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005445288 568906966 /nfs/dbraw/zinc/90/69/66/568906966.db2.gz HRVIIDCBIPBUFK-UHFFFAOYSA-N 0 0 408.801 4.606 50 5 HJBARN CO[C@@](F)(C(=O)Nc1cc(Sc2ccccc2)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000003672579 568924615 /nfs/dbraw/zinc/92/46/15/568924615.db2.gz IZSQPMWHWHUZIL-HNNXBMFYSA-N 0 0 404.341 4.559 50 5 HJBARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)C[C@H](O)c1ccccc1[N+](=O)[O-] ZINC000001399133 568926015 /nfs/dbraw/zinc/92/60/15/568926015.db2.gz 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O=[N+]([O-])c1ccc2c(c1)/C(=C\c1ccccc1O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 ZINC000008425977 569001722 /nfs/dbraw/zinc/00/17/22/569001722.db2.gz DMXOQQWVRNSNDX-VIZOYTHASA-N 0 0 405.322 4.686 50 5 HJBARN Cc1sc(Nc2ccc([N+](=O)[O-])cc2)nc1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000008431457 569002874 /nfs/dbraw/zinc/00/28/74/569002874.db2.gz XJTXTSDVSCNHLI-UHFFFAOYSA-N 0 0 421.482 4.568 50 5 HJBARN Cc1cccc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000006235518 569033941 /nfs/dbraw/zinc/03/39/41/569033941.db2.gz GKAPZJVPGYWTCO-UHFFFAOYSA-N 0 0 403.154 4.937 50 5 HJBARN CSc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1[N+](=O)[O-] ZINC000006235224 569033960 /nfs/dbraw/zinc/03/39/60/569033960.db2.gz FMRXJBAYTKSPAH-UHFFFAOYSA-N 0 0 413.480 4.895 50 5 HJBARN CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@H]1[N+](=O)[O-] ZINC000036077480 569086902 /nfs/dbraw/zinc/08/69/02/569086902.db2.gz XLUWPBDJPCVERE-FZDBZEDMSA-N 0 0 424.284 4.696 50 5 aggregator HJBARN Cc1ccc(CN(c2ccc(C)c(F)c2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000036247071 569116898 /nfs/dbraw/zinc/11/68/98/569116898.db2.gz NDRRSFHSKGTRTP-UHFFFAOYSA-N 0 0 414.458 4.746 50 5 HJBARN Cc1c(C(=O)NCC(C)C)nn(-c2cccc(C)c2C)c1Oc1ccccc1[N+](=O)[O-] ZINC000006774774 569118432 /nfs/dbraw/zinc/11/84/32/569118432.db2.gz DXYQFDFUXGSONL-UHFFFAOYSA-N 0 0 422.485 4.884 50 5 HJBARN Cc1cc(C)c(C)c(Oc2cc([N+](=O)[O-])cc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)c2)c1 ZINC000006921966 569182560 /nfs/dbraw/zinc/18/25/60/569182560.db2.gz SZUJPTXHVPFNHB-BGYRXZFFSA-N 0 0 408.454 4.992 50 5 HJBARN O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000006975213 569191700 /nfs/dbraw/zinc/19/17/00/569191700.db2.gz GFUNFAXMJBGDOU-YVLHZVERSA-N 0 0 412.760 4.992 50 5 HJBARN CCc1cc(N2C[C@@H](c3ccccc3)O[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000170593749 569241032 /nfs/dbraw/zinc/24/10/32/569241032.db2.gz VDJXJDSKRDHJGD-KKSFZXQISA-N 0 0 404.470 4.581 50 5 HJBARN COc1cc(NC(=O)CNc2ccc(Cl)c(C(F)(F)F)c2)c(C)cc1[N+](=O)[O-] ZINC000009884214 569251597 /nfs/dbraw/zinc/25/15/97/569251597.db2.gz HHPASNYZJHAHSQ-UHFFFAOYSA-N 0 0 417.771 4.635 50 5 HJBARN CCc1cc(N2C[C@@H](C)O[C@@H](c3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000252587019 569294849 /nfs/dbraw/zinc/29/48/49/569294849.db2.gz VDJXJDSKRDHJGD-IIBYNOLFSA-N 0 0 404.470 4.581 50 5 HJBARN Cc1ccccc1-c1nc2oc3ccccc3c(=O)c2c(=O)n1CCc1ccccc1 ZINC000002225682 569314922 /nfs/dbraw/zinc/31/49/22/569314922.db2.gz WGBZXAJHMCBTBJ-UHFFFAOYSA-N 0 0 408.457 4.721 50 5 HJBARN CCOc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1 ZINC000002246642 569324226 /nfs/dbraw/zinc/32/42/26/569324226.db2.gz BRUHYYSQPLCOAN-UHFFFAOYSA-N 0 0 411.421 4.943 50 5 HJBARN Cc1ccc(Cn2c3nc4ccccc4nc3c3c2nc(C)n(CC(C)C)c3=O)cc1 ZINC000002256370 569326254 /nfs/dbraw/zinc/32/62/54/569326254.db2.gz SOQAQRFWJHTBTL-UHFFFAOYSA-N 0 0 411.509 4.616 50 5 HJBARN CCCCn1cnc2c(c3nc4ccccc4nc3n2-c2ccc(Cl)cc2)c1=O ZINC000002303122 569372253 /nfs/dbraw/zinc/37/22/53/569372253.db2.gz GSVNEEPGARYUHL-UHFFFAOYSA-N 0 0 403.873 4.737 50 5 HJBARN C[C@H](c1ccccc1)n1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1cccs1 ZINC000002347924 569379407 /nfs/dbraw/zinc/37/94/07/569379407.db2.gz YBKBRBMBTSVWOY-OAHLLOKOSA-N 0 0 413.502 4.586 50 5 HJBARN COc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2cccnc2)cc1 ZINC000009806143 569394009 /nfs/dbraw/zinc/39/40/09/569394009.db2.gz DYQMZRHRTUBSJV-UHFFFAOYSA-N 0 0 419.466 4.538 50 5 HJBARN CC(C)Cn1c2nc3ccccc3nc2c2c1ncn(CCC1=CCCCC1)c2=O ZINC000002418893 569397596 /nfs/dbraw/zinc/39/75/96/569397596.db2.gz ZIFGVKVHKDHWKC-UHFFFAOYSA-N 0 0 401.514 4.841 50 5 HJBARN Cc1nn(CC(C)C)c2sc(C(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)cc12 ZINC000012997160 569406084 /nfs/dbraw/zinc/40/60/84/569406084.db2.gz IOWLPTCPTZESAJ-CQSZACIVSA-N 0 0 400.504 4.804 50 5 HJBARN O=c1c([N+](=O)[O-])c(Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)nc2ccccn21 ZINC000013012007 569407290 /nfs/dbraw/zinc/40/72/90/569407290.db2.gz IJUPERQPPORFOB-UHFFFAOYSA-N 0 0 417.465 4.863 50 5 HJBARN COc1ccccc1-c1noc(-c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000008586844 571083525 /nfs/dbraw/zinc/08/35/25/571083525.db2.gz BHAKSLFIKDHWKL-UHFFFAOYSA-N 0 0 402.410 4.933 50 5 HJBARN CCC(=O)Oc1cn(-c2ccc(F)cc2)c2nc(CC)n3c4ccccc4nc3c12 ZINC000008624651 571096954 /nfs/dbraw/zinc/09/69/54/571096954.db2.gz MVJAFORFUQBGIT-UHFFFAOYSA-N 0 0 402.429 4.843 50 5 HJBARN CN(Cc1cccs1)C(=O)CSc1nc2ccccc2c2nc3ccccc3n21 ZINC000008760781 571114027 /nfs/dbraw/zinc/11/40/27/571114027.db2.gz HDQPRMALGREKAQ-UHFFFAOYSA-N 0 0 418.547 4.848 50 5 HJBARN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccnc1SCc1ccc(F)cc1 ZINC000040133363 571185921 /nfs/dbraw/zinc/18/59/21/571185921.db2.gz QHHNDNFIGLGFBQ-UHFFFAOYSA-N 0 0 411.458 4.693 50 5 HJBARN CC1(C)Cc2c3c(N)c(-c4ccc([N+](=O)[O-])cc4)sc3nc(N3CCCC3)c2CO1 ZINC000009012316 571210555 /nfs/dbraw/zinc/21/05/55/571210555.db2.gz HSRLZNGPUWDRDD-UHFFFAOYSA-N 0 0 424.526 4.905 50 5 HJBARN C[C@H]1CCc2sc3c(c2C1)c1ncnn1c1nnc(SCc2ccc(F)cc2)n31 ZINC000009307349 571246894 /nfs/dbraw/zinc/24/68/94/571246894.db2.gz ZPPDQGMHLFWEFV-NSHDSACASA-N 0 0 424.530 4.543 50 5 HJBARN CSc1nc2sc3c(c2c(SCC(=O)c2ccc([N+](=O)[O-])cc2)n1)CCC3 ZINC000009319151 571247823 /nfs/dbraw/zinc/24/78/23/571247823.db2.gz YNVQNKIXQZKZQN-UHFFFAOYSA-N 0 0 417.537 4.785 50 5 HJBARN CC(=O)Nc1ccc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2c1 ZINC000009367890 571252312 /nfs/dbraw/zinc/25/23/12/571252312.db2.gz DFMCEJOBTFCRLH-UHFFFAOYSA-N 0 0 412.452 4.630 50 5 HJBARN COc1cccc(CSc2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000009459978 571260435 /nfs/dbraw/zinc/26/04/35/571260435.db2.gz LXYJGVMFIXGPMQ-UHFFFAOYSA-N 0 0 419.462 4.595 50 5 HJBARN CCOc1ccccc1NC(=O)CNc1cc([N+](=O)[O-])ccc1Nc1ccc(F)cc1 ZINC000009630440 571274691 /nfs/dbraw/zinc/27/46/91/571274691.db2.gz YXDYIWGJUODKSI-UHFFFAOYSA-N 0 0 424.432 4.927 50 5 HJBARN CN(Cc1ccc(Br)s1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000009671433 571278638 /nfs/dbraw/zinc/27/86/38/571278638.db2.gz UIERQEVIMRYHQP-UHFFFAOYSA-N 0 0 411.302 4.906 50 5 HJBARN CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000005102844 132301581 /nfs/dbraw/zinc/30/15/81/132301581.db2.gz CPBSBXGYMCNCNN-UHFFFAOYSA-N 0 0 401.894 4.508 50 5 HJBARN CCC(CC)c1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)s1 ZINC000005893762 132308438 /nfs/dbraw/zinc/30/84/38/132308438.db2.gz QUBXBUGTXKSFAP-UHFFFAOYSA-N 0 0 403.508 4.593 50 5 HJBARN CNc1ccc(/C=C2\c3ccccc3C(=O)N(c3cccc(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000033039510 132501167 /nfs/dbraw/zinc/50/11/67/132501167.db2.gz VEBRGXLLNXBYCQ-DEDYPNTBSA-N 0 0 413.433 4.673 50 5 HJBARN CCCCSc1nnc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)s1 ZINC000031845782 520978280 /nfs/dbraw/zinc/97/82/80/520978280.db2.gz ZCHBSGUNNFROMY-UHFFFAOYSA-N 0 0 409.518 4.681 50 5 HJBARN CN(C)c1ccc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000032900630 522154339 /nfs/dbraw/zinc/15/43/39/522154339.db2.gz MCWOHTFBSOPCDT-UHFFFAOYSA-N 0 0 419.441 4.557 50 5 HJBARN Cc1ccc([C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)N2Cc3ccccc3C2=O)cc1 ZINC000020561832 525757866 /nfs/dbraw/zinc/75/78/66/525757866.db2.gz OTWRHCMNWWAUGJ-JOCHJYFZSA-N 0 0 415.449 4.629 50 5 HJBARN CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000005446055 535375385 /nfs/dbraw/zinc/37/53/85/535375385.db2.gz GWTXJRANRFBMCI-UHFFFAOYSA-N 0 0 411.502 4.931 50 5 HJBARN COc1ccc(-c2c3c(nc4c5ccccc5c(=O)c42)c2ccccc2c3=O)cc1OC ZINC000002028804 557299696 /nfs/dbraw/zinc/29/96/96/557299696.db2.gz OJSCVTBTPDJHLR-UHFFFAOYSA-N 0 0 419.436 4.975 50 5 HJBARN CC(C)(C)[C@@H]1CCc2nc(N)c3c(=O)oc4ccc(Br)cc4c3c2C1 ZINC000002882298 557420056 /nfs/dbraw/zinc/42/00/56/557420056.db2.gz GYNYIGPHFZCBMG-SNVBAGLBSA-N 0 0 401.304 4.837 50 5 HJBARN O=C1C[C@](/C=C/c2ccccc2)(Nc2ccc([N+](=O)[O-])cc2)C(=O)N1C1CCCCC1 ZINC000004333557 558261858 /nfs/dbraw/zinc/26/18/58/558261858.db2.gz XPRNRZUXCBVSGK-QDEBQFNMSA-N 0 0 419.481 4.551 50 5 HJBARN CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc2c1CC[C@H](C)C2 ZINC000004558415 558726602 /nfs/dbraw/zinc/72/66/02/558726602.db2.gz 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COc1cc2c(cc1NC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-])oc1ccccc12 ZINC000000653014 568457793 /nfs/dbraw/zinc/45/77/93/568457793.db2.gz JSZFPFVRXAEGIG-CYBMUJFWSA-N 0 0 406.394 4.909 50 5 HJBARN COc1ccc(-c2nc3cc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000000824719 568499083 /nfs/dbraw/zinc/49/90/83/568499083.db2.gz QSGRJOAYQSBJBW-UHFFFAOYSA-N 0 0 419.393 4.673 50 5 HJBARN O=C(c1cc(N[C@@H]2CCCC[C@@H]2OC2CCCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000095444757 568611588 /nfs/dbraw/zinc/61/15/88/568611588.db2.gz DTNPJAWCWQOXGV-CTNGQTDRSA-N 0 0 401.507 4.513 50 5 HJBARN CC(=O)N1N=C(c2ccc(Cl)cc2Cl)O[C@H]1c1ccc([N+](=O)[O-])cc1Cl ZINC000021091895 568664280 /nfs/dbraw/zinc/66/42/80/568664280.db2.gz SSRUVKYEUGPJPD-INIZCTEOSA-N 0 0 414.632 4.794 50 5 HJBARN Cc1ccc(Cn2cc([C@@H](CC(N)=O)c3ccccc3[N+](=O)[O-])c3ccccc32)cc1 ZINC000096275420 568714505 /nfs/dbraw/zinc/71/45/05/568714505.db2.gz XGRCCRFTLVWWTG-NRFANRHFSA-N 0 0 413.477 4.914 50 5 HJBARN CC[C@@H](C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096276020 568714861 /nfs/dbraw/zinc/71/48/61/568714861.db2.gz CGTMSSSFRKEVCU-SJKOYZFVSA-N 0 0 414.849 4.815 50 5 HJBARN O=C(C[C@H](c1c[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1)NCc1ccco1 ZINC000096276569 568715317 /nfs/dbraw/zinc/71/53/17/568715317.db2.gz SXWNHVLCWIXPOX-SFHVURJKSA-N 0 0 407.401 4.647 50 5 HJBARN CC[C@H](C)[C@@H](NC(=O)c1ccccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000096277810 568716184 /nfs/dbraw/zinc/71/61/84/568716184.db2.gz WLZCJDLMVGXNPQ-YVEFUNNKSA-N 0 0 414.849 4.815 50 5 HJBARN Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])n(-c2nc(-c3ccc(F)cc3)cs2)n1 ZINC000012442013 568724556 /nfs/dbraw/zinc/72/45/56/568724556.db2.gz KUIZJZVDGSSOAF-UHFFFAOYSA-N 0 0 423.429 4.604 50 5 HJBARN COc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000000974622 568759554 /nfs/dbraw/zinc/75/95/54/568759554.db2.gz ZUQJLPGNCZGQPD-CXUHLZMHSA-N 0 0 402.453 4.512 50 5 HJBARN CCC[C@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c2C(N)=O)C1 ZINC000000994646 568759806 /nfs/dbraw/zinc/75/98/06/568759806.db2.gz MRBDQQIWWAOTBC-JTQLQIEISA-N 0 0 421.906 4.566 50 5 HJBARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000025250147 568760177 /nfs/dbraw/zinc/76/01/77/568760177.db2.gz JPHHTCALPHMFIJ-KRWDZBQOSA-N 0 0 424.526 4.537 50 5 HJBARN Cc1c(C(=O)NC(=S)N(Cc2ccccc2)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000001049968 568764608 /nfs/dbraw/zinc/76/46/08/568764608.db2.gz PGPPSURVPNQOBS-UHFFFAOYSA-N 0 0 419.506 4.620 50 5 HJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2cccnc2)nc2ccc(C)cc21 ZINC000001073591 568765179 /nfs/dbraw/zinc/76/51/79/568765179.db2.gz PPRHETVIWDKUAK-UHFFFAOYSA-N 0 0 414.421 4.774 50 5 HJBARN CC[C@@H](Oc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC000001108779 568768593 /nfs/dbraw/zinc/76/85/93/568768593.db2.gz FCBUIIMSJSYVKP-OAQYLSRUSA-N 0 0 404.422 4.887 50 5 HJBARN Cc1c(-c2nc(-c3ccc(NC(=O)c4cccs4)cc3)no2)cccc1[N+](=O)[O-] ZINC000001113309 568770581 /nfs/dbraw/zinc/77/05/81/568770581.db2.gz FJPSLKJVOPHPFL-UHFFFAOYSA-N 0 0 406.423 4.934 50 5 HJBARN CCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 ZINC000001111285 568770583 /nfs/dbraw/zinc/77/05/83/568770583.db2.gz VMRZKIMGAUQNLV-UHFFFAOYSA-N 0 0 414.801 4.937 50 5 HJBARN O=C1N/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000001142650 568772251 /nfs/dbraw/zinc/77/22/51/568772251.db2.gz UZIBHOOBAVKRJP-WQRHYEAKSA-N 0 0 423.812 4.601 50 5 HJBARN COc1ccc(-c2ccc(/C=C3/N=C(c4ccc(C)cc4)OC3=O)o2)c([N+](=O)[O-])c1 ZINC000001144278 568772546 /nfs/dbraw/zinc/77/25/46/568772546.db2.gz KSLXTZGWLINNSN-WOJGMQOQSA-N 0 0 404.378 4.516 50 5 HJBARN Cc1c(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000001147882 568772640 /nfs/dbraw/zinc/77/26/40/568772640.db2.gz WHJONPIHEPISJS-INIZCTEOSA-N 0 0 403.438 4.647 50 5 HJBARN COc1ccccc1-c1coc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2c1=O ZINC000001127550 568773102 /nfs/dbraw/zinc/77/31/02/568773102.db2.gz LYWIALYPOHUTGT-UHFFFAOYSA-N 0 0 417.373 4.596 50 5 biogenic HJBARN CC1(C)Cc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2C(=O)C1 ZINC000002474952 568773777 /nfs/dbraw/zinc/77/37/77/568773777.db2.gz YQYRSVIOVZYGNG-UHFFFAOYSA-N 0 0 401.469 4.673 50 5 HJBARN Cc1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2cccc(C)c2)cc1 ZINC000001150012 568773868 /nfs/dbraw/zinc/77/38/68/568773868.db2.gz AALQHKMSKRSZSS-JCMHNJIXSA-N 0 0 415.449 4.621 50 5 HJBARN O=C(Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1)c1cccs1 ZINC000001155011 568774264 /nfs/dbraw/zinc/77/42/64/568774264.db2.gz BZUDHAJFGIRGAJ-UHFFFAOYSA-N 0 0 401.831 4.814 50 5 HJBARN Cc1ccc(-n2nc3c(c2NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CSC3)cc1 ZINC000002483555 568775146 /nfs/dbraw/zinc/77/51/46/568775146.db2.gz UXQDAQBQDXGYTP-UHFFFAOYSA-N 0 0 414.874 4.741 50 5 HJBARN O=[N+]([O-])c1ccc(Oc2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)cc1 ZINC000002725999 568803976 /nfs/dbraw/zinc/80/39/76/568803976.db2.gz HCSALWXVFVGAPS-UHFFFAOYSA-N 0 0 410.499 4.866 50 5 HJBARN O=C1NC(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1c1cccc(Cl)c1 ZINC000002827637 568812497 /nfs/dbraw/zinc/81/24/97/568812497.db2.gz YKYAXMMZRZSSDN-WJDWOHSUSA-N 0 0 409.785 4.606 50 5 HJBARN O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000002850220 568813080 /nfs/dbraw/zinc/81/30/80/568813080.db2.gz HQTWATSWIKFHGS-MTJSOVHGSA-N 0 0 418.380 4.657 50 5 HJBARN Cc1cc(=O)oc(C)c1C(=O)OCc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002868619 568813778 /nfs/dbraw/zinc/81/37/78/568813778.db2.gz VAXKDRRJHJQIGE-UHFFFAOYSA-N 0 0 411.435 4.673 50 5 HJBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000001178879 568819967 /nfs/dbraw/zinc/81/99/67/568819967.db2.gz HQRYFEMVGXTMJB-UHFFFAOYSA-N 0 0 405.435 4.889 50 5 HJBARN O=C1OC(c2ccccc2F)=N/C1=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000001193760 568822717 /nfs/dbraw/zinc/82/27/17/568822717.db2.gz TZODHMUSTSGDQE-MOSHPQCFSA-N 0 0 418.380 4.657 50 5 HJBARN CCC[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2C(N)=O)C1 ZINC000001200178 568823263 /nfs/dbraw/zinc/82/32/63/568823263.db2.gz WRPFIBCPCDVJGR-JTQLQIEISA-N 0 0 421.906 4.566 50 5 HJBARN O=C(Nc1ccc2nn(-c3cccc4ccccc43)nc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000001206653 568823542 /nfs/dbraw/zinc/82/35/42/568823542.db2.gz WZJHZFIHHBSQFS-UHFFFAOYSA-N 0 0 409.405 4.734 50 5 HJBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1nc2ccccc2s1 ZINC000005862262 568826513 /nfs/dbraw/zinc/82/65/13/568826513.db2.gz SQUSCONFZKTUQB-UHFFFAOYSA-N 0 0 402.482 4.545 50 5 HJBARN C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc3ccccc3c3nc4ccccc4n32)C1 ZINC000002959658 568830028 /nfs/dbraw/zinc/83/00/28/568830028.db2.gz UHKOLDNYBMZSOO-HZPDHXFCSA-N 0 0 404.539 4.632 50 5 HJBARN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3ccc(C)nc3[N+](=O)[O-])ccc21 ZINC000005970311 568833028 /nfs/dbraw/zinc/83/30/28/568833028.db2.gz SCBGTZWBOYXCIJ-OAHLLOKOSA-N 0 0 418.453 4.832 50 5 HJBARN CC[C@@H]1CCCN1CNC(=O)c1ccc(Sc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000003020144 568838926 /nfs/dbraw/zinc/83/89/26/568838926.db2.gz SOMDZLGJUATFOI-MRXNPFEDSA-N 0 0 419.934 4.961 50 5 HJBARN Cc1ccc(N[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)c(C)c1 ZINC000003091955 568854682 /nfs/dbraw/zinc/85/46/82/568854682.db2.gz BCVAXYOOQLGPBY-INIZCTEOSA-N 0 0 416.692 4.750 50 5 HJBARN O=C(COC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000003315694 568879181 /nfs/dbraw/zinc/87/91/81/568879181.db2.gz XCWYCWZWMCFZTK-NRFANRHFSA-N 0 0 407.447 4.854 50 5 HJBARN Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000058981108 568880050 /nfs/dbraw/zinc/88/00/50/568880050.db2.gz DTVXCZYBERLVJX-UHFFFAOYSA-N 0 0 418.375 4.977 50 5 HJBARN COCCN(C(=O)c1cc2ccccc2o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000012638713 568883907 /nfs/dbraw/zinc/88/39/07/568883907.db2.gz BXTJQTBMYNAVOA-UHFFFAOYSA-N 0 0 423.450 4.758 50 5 HJBARN Cn1c2ccccc2c(C(=O)COC(=O)c2ccc([N+](=O)[O-])s2)c1-c1ccccc1 ZINC000003346520 568884769 /nfs/dbraw/zinc/88/47/69/568884769.db2.gz LJFDPYRAXDLVOC-UHFFFAOYSA-N 0 0 420.446 4.855 50 5 HJBARN O=C(NCc1ccc(F)cc1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003429720 568901208 /nfs/dbraw/zinc/90/12/08/568901208.db2.gz LUSPDERQPQMKHU-UHFFFAOYSA-N 0 0 412.804 4.548 50 5 HJBARN CSc1ccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cc1[N+](=O)[O-] ZINC000003435677 568902723 /nfs/dbraw/zinc/90/27/23/568902723.db2.gz GZRXAGSUKXIILI-UHFFFAOYSA-N 0 0 421.430 4.933 50 5 HJBARN O=C(CSc1ccc(Br)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002582769 568906480 /nfs/dbraw/zinc/90/64/80/568906480.db2.gz NYPXASXEXKSCCW-UHFFFAOYSA-N 0 0 401.669 4.742 50 5 HJBARN C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCc1c(F)cccc1Cl ZINC000012658118 568907034 /nfs/dbraw/zinc/90/70/34/568907034.db2.gz ZHKFHATVCAJGOI-SECBINFHSA-N 0 0 420.746 4.950 50 5 HJBARN COC(=O)c1ccccc1NC(=O)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-] ZINC000001401445 568927232 /nfs/dbraw/zinc/92/72/32/568927232.db2.gz UDMUEKNKVQJSEG-UHFFFAOYSA-N 0 0 416.386 4.627 50 5 HJBARN COC(=O)[C@@](F)(c1cc(Cl)ccc1OC)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000001423363 568938327 /nfs/dbraw/zinc/93/83/27/568938327.db2.gz NRAVOLAZWNNNQP-INIZCTEOSA-N 0 0 421.730 4.662 50 5 HJBARN Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CSC2 ZINC000004176123 568948662 /nfs/dbraw/zinc/94/86/62/568948662.db2.gz ANPJEHRHPZZZBE-UHFFFAOYSA-N 0 0 414.874 4.741 50 5 HJBARN Cc1cc([N+](=O)[O-])c(N2CCCC2)cc1NC(=O)c1cccc(Br)c1 ZINC000004187705 568949150 /nfs/dbraw/zinc/94/91/50/568949150.db2.gz XLOHXISRTAWMER-UHFFFAOYSA-N 0 0 404.264 4.518 50 5 HJBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ncc(-c2c(F)cccc2F)o1 ZINC000012777537 568955631 /nfs/dbraw/zinc/95/56/31/568955631.db2.gz CSDVIQXJQMBXRJ-CYBMUJFWSA-N 0 0 415.396 4.680 50 5 HJBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000012777514 568955833 /nfs/dbraw/zinc/95/58/33/568955833.db2.gz ZQGLFNIUJJEZHO-ZDUSSCGKSA-N 0 0 415.396 4.680 50 5 HJBARN O=[N+]([O-])c1ccc(Sc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)nc1 ZINC000012780306 568957432 /nfs/dbraw/zinc/95/74/32/568957432.db2.gz HCLJGNJIAUZBTP-UHFFFAOYSA-N 0 0 411.393 4.667 50 5 HJBARN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008104496 568973899 /nfs/dbraw/zinc/97/38/99/568973899.db2.gz UFROEQDYSWFHIS-GFCCVEGCSA-N 0 0 401.875 4.878 50 5 HJBARN COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)scc1-c1ccc(F)cc1 ZINC000006126301 569009918 /nfs/dbraw/zinc/00/99/18/569009918.db2.gz VNZNEKKGKAMONR-UHFFFAOYSA-N 0 0 400.387 4.501 50 5 HJBARN COc1ccc(-c2noc(-c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)n2)cc1OC ZINC000015833804 569012762 /nfs/dbraw/zinc/01/27/62/569012762.db2.gz LPIQOHDHAPNABK-AWEZNQCLSA-N 0 0 424.457 4.565 50 5 HJBARN O=C1NC(=S)SC1=Cc1cc([N+](=O)[O-])ccc1OCCCOc1ccccc1 ZINC000015856585 569014061 /nfs/dbraw/zinc/01/40/61/569014061.db2.gz MFCRXJWCQCEKLH-SFQUDFHCSA-N 0 0 416.480 4.772 50 5 HJBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000012923122 569023392 /nfs/dbraw/zinc/02/33/92/569023392.db2.gz VDWPFIPHCXOYGN-UHFFFAOYSA-N 0 0 417.874 4.773 50 5 HJBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCc2sccc2[C@H]1c1ccccc1 ZINC000012928131 569024046 /nfs/dbraw/zinc/02/40/46/569024046.db2.gz FHUJUIBQAOJWIY-JOCHJYFZSA-N 0 0 407.495 4.551 50 5 HJBARN Cc1cc([N+](=O)[O-])c(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1C ZINC000016268009 569030386 /nfs/dbraw/zinc/03/03/86/569030386.db2.gz RFWMRHMWILQRIA-MXXWWZHRSA-N 0 0 424.456 4.608 50 5 HJBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000016382316 569040181 /nfs/dbraw/zinc/04/01/81/569040181.db2.gz AHYFXGVZWXYGBH-HNNXBMFYSA-N 0 0 414.632 4.687 50 5 HJBARN CCCCn1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)c2cc3ccc(C)cc3nc21 ZINC000001858965 569056668 /nfs/dbraw/zinc/05/66/68/569056668.db2.gz UIOBFECGYHKFFR-UHFFFAOYSA-N 0 0 403.442 4.854 50 5 HJBARN CC[C@@]1(C)Cc2c(sc3nc(SCc4ccc([N+](=O)[O-])cc4)nc(N)c32)CO1 ZINC000001866269 569056729 /nfs/dbraw/zinc/05/67/29/569056729.db2.gz BZGRMKSVMKFSSK-IBGZPJMESA-N 0 0 416.528 4.715 50 5 HJBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 ZINC000001915263 569058631 /nfs/dbraw/zinc/05/86/31/569058631.db2.gz OOCVWGGXVCNEKP-FMIVXFBMSA-N 0 0 413.385 4.987 50 5 HJBARN CC(=O)Nc1ccc(NC(=O)COC(=O)c2c3ccccc3cc3ccccc32)cc1 ZINC000006596490 569069163 /nfs/dbraw/zinc/06/91/63/569069163.db2.gz CCCNEHMVHKLJED-UHFFFAOYSA-N 0 0 412.445 4.747 50 5 HJBARN Cc1ccc(N([C@@H](C)c2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000036247668 569117155 /nfs/dbraw/zinc/11/71/55/569117155.db2.gz CPIYBMZUYYAJLS-INIZCTEOSA-N 0 0 414.458 4.999 50 5 HJBARN COc1ccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc32)c(OC)c1 ZINC000006858548 569156506 /nfs/dbraw/zinc/15/65/06/569156506.db2.gz SOIYYAHSVBEYMV-UHFFFAOYSA-N 0 0 402.410 4.966 50 5 HJBARN Cc1c(C(=O)COc2cc(O)c3c(c2)oc2ccccc2c3=O)c2ccccc2n1C ZINC000006912094 569178995 /nfs/dbraw/zinc/17/89/95/569178995.db2.gz XHAIDJOGHMPBIT-UHFFFAOYSA-N 0 0 413.429 4.714 50 5 biogenic HJBARN O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000006974510 569191538 /nfs/dbraw/zinc/19/15/38/569191538.db2.gz NTWCCDXCCHZBJG-YVLHZVERSA-N 0 0 412.760 4.992 50 5 HJBARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@]3(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000239339123 569232950 /nfs/dbraw/zinc/23/29/50/569232950.db2.gz LSHRJXIGFWJEOH-ISKFKSNPSA-N 0 0 415.449 5.020 50 5 HJBARN CCc1cc(N2C[C@@H](C)O[C@H](c3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000170593751 569241097 /nfs/dbraw/zinc/24/10/97/569241097.db2.gz VDJXJDSKRDHJGD-IERDGZPVSA-N 0 0 404.470 4.581 50 5 HJBARN Cc1sc2ncnc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2c1C ZINC000013778642 569257679 /nfs/dbraw/zinc/25/76/79/569257679.db2.gz VGSIRWLWWNOHRH-JTQLQIEISA-N 0 0 422.919 4.989 50 5 HJBARN Cc1ccccc1-c1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc2sc(=O)oc21 ZINC000016752528 569262337 /nfs/dbraw/zinc/26/23/37/569262337.db2.gz RHXJXDVTJRLYLU-UHFFFAOYSA-N 0 0 407.403 4.957 50 5 HJBARN Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(-c3ccc(Cl)cc3)nc21 ZINC000002242296 569323709 /nfs/dbraw/zinc/32/37/09/569323709.db2.gz NIVIHPJCJKDNDH-UHFFFAOYSA-N 0 0 413.864 4.558 50 5 HJBARN CCCCn1c(CC)nc2c(c3nc4ccccc4nc3n2-c2ccc(C)cc2)c1=O ZINC000002263010 569325426 /nfs/dbraw/zinc/32/54/26/569325426.db2.gz XMMBUVBHGDTTAU-UHFFFAOYSA-N 0 0 411.509 4.955 50 5 HJBARN C[C@@H](c1ccccc1)n1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1cccs1 ZINC000002347922 569379385 /nfs/dbraw/zinc/37/93/85/569379385.db2.gz YBKBRBMBTSVWOY-HNNXBMFYSA-N 0 0 413.502 4.586 50 5 HJBARN Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCCCC3)c(-c3ccc(F)cc3)nc21 ZINC000002363371 569387324 /nfs/dbraw/zinc/38/73/24/569387324.db2.gz VCDMKDBNMOJZQB-UHFFFAOYSA-N 0 0 417.484 4.950 50 5 HJBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 ZINC000027663832 569388708 /nfs/dbraw/zinc/38/87/08/569388708.db2.gz KWPAHNPDBQNRSQ-INIZCTEOSA-N 0 0 409.269 4.723 50 5 HJBARN CC[C@H](C)n1c(C)nc2c(c3nc4ccccc4nc3n2CCc2ccccc2)c1=O ZINC000002403127 569395763 /nfs/dbraw/zinc/39/57/63/569395763.db2.gz RECLMOYRKLQRGK-INIZCTEOSA-N 0 0 411.509 4.817 50 5 HJBARN COc1ccc(CCC(=O)Nc2cc(Sc3ccccn3)cc([N+](=O)[O-])c2)cc1 ZINC000012950047 569405144 /nfs/dbraw/zinc/40/51/44/569405144.db2.gz LMXGVSMOYZGYMR-UHFFFAOYSA-N 0 0 409.467 4.721 50 5 HJBARN Cn1c2ccccc2nc1[C@@H]1CCCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000079061571 569426240 /nfs/dbraw/zinc/42/62/40/569426240.db2.gz USWPJYDBYRPRQM-INIZCTEOSA-N 0 0 401.264 4.586 50 5 HJBARN Cc1c2oc3c(nc4c(c(=O)[nH]n4C4CCCCC4)c3-c3cnn(C)c3)c2ccc1O ZINC000079484636 569431944 /nfs/dbraw/zinc/43/19/44/569431944.db2.gz WHFSQWCTCSEDFV-UHFFFAOYSA-N 0 0 417.469 4.956 50 5 HJBARN O=C(NCc1ccc(COCc2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000040105181 571165935 /nfs/dbraw/zinc/16/59/35/571165935.db2.gz IQOWIOAEXWFUCD-UHFFFAOYSA-N 0 0 410.857 4.895 50 5 HJBARN O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000040132806 571185470 /nfs/dbraw/zinc/18/54/70/571185470.db2.gz HWCFECMPMYOSPV-UHFFFAOYSA-N 0 0 417.421 4.988 50 5 HJBARN C[C@@H](c1cccc(C(F)(F)F)c1)N(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000040155785 571202812 /nfs/dbraw/zinc/20/28/12/571202812.db2.gz YRINFYMKAQIJHD-LBPRGKRZSA-N 0 0 414.405 4.528 50 5 HJBARN Cc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009209798 571236900 /nfs/dbraw/zinc/23/69/00/571236900.db2.gz ZEDKAJHAWAIBMM-UHFFFAOYSA-N 0 0 413.433 4.592 50 5 HJBARN Cc1c(C(=O)Nc2nnc(SCc3cccc(Cl)c3)s2)cccc1[N+](=O)[O-] ZINC000009599932 571272899 /nfs/dbraw/zinc/27/28/99/571272899.db2.gz SDCDKDJMQUUBGI-UHFFFAOYSA-N 0 0 420.903 4.953 50 5 HJBARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009613340 571273820 /nfs/dbraw/zinc/27/38/20/571273820.db2.gz AKSMTWCOGHNTKK-UHFFFAOYSA-N 0 0 418.755 4.545 50 5 HJBARN Cc1cccc(OCCn2c3ccccc3nc2NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000001116746 571308874 /nfs/dbraw/zinc/30/88/74/571308874.db2.gz XLJYYLHZMWLWOU-UHFFFAOYSA-N 0 0 416.437 4.584 50 5 HJBARN CC1(C)C(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001208981 132242513 /nfs/dbraw/zinc/24/25/13/132242513.db2.gz KMSDVSABLBWJJP-UHFFFAOYSA-N 0 0 415.449 4.567 50 5 HJBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cc1csc(-c2cccs2)n1 ZINC000032842235 523186228 /nfs/dbraw/zinc/18/62/28/523186228.db2.gz HSACDIJXQOSCAC-UHFFFAOYSA-N 0 0 407.904 4.634 50 5 HJBARN Cc1ccc([C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)N2Cc3ccccc3C2=O)cc1 ZINC000020561835 525952298 /nfs/dbraw/zinc/95/22/98/525952298.db2.gz OTWRHCMNWWAUGJ-QFIPXVFZSA-N 0 0 415.449 4.629 50 5 HJBARN CSc1ccc(S(=O)(=O)Nc2ccc3sc4ccccc4c(=O)c3c2)cc1 ZINC000004624685 557573800 /nfs/dbraw/zinc/57/38/00/557573800.db2.gz KTKDGXHCEMHYCY-UHFFFAOYSA-N 0 0 413.545 4.937 50 5 HJBARN CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000005500385 557658428 /nfs/dbraw/zinc/65/84/28/557658428.db2.gz QWIGNKJRCORAAH-UHFFFAOYSA-N 0 0 404.879 4.731 50 5 HJBARN Cc1ccc(S(=O)(=O)c2c3nc4ccccc4nc3n3c4ccccc4[nH]c23)cc1 ZINC000005553337 557661613 /nfs/dbraw/zinc/66/16/13/557661613.db2.gz XGGWJLAFGPVUGX-UHFFFAOYSA-N 0 0 412.474 4.658 50 5 HJBARN COc1ccc2c(c1)oc1nc(-c3cccs3)n(-c3ccc(C)cc3)c(=O)c1c2=O ZINC000002230899 557669413 /nfs/dbraw/zinc/66/94/13/557669413.db2.gz KCRUMLZBLVCRRF-UHFFFAOYSA-N 0 0 416.458 4.538 50 5 HJBARN Cc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Oc1cccc(Br)c1 ZINC000009861312 557850447 /nfs/dbraw/zinc/85/04/47/557850447.db2.gz GZFTUNWTUZILCE-UHFFFAOYSA-N 0 0 422.278 4.831 50 5 HJBARN CCN(C(=O)CSc1nc2cc3ccccc3cc2c(=O)n1CC)C1CCCCC1 ZINC000022177926 558465230 /nfs/dbraw/zinc/46/52/30/558465230.db2.gz MTRNQVWBFREQJT-UHFFFAOYSA-N 0 0 423.582 4.843 50 5 HJBARN CCC(=O)Oc1cn(CCc2ccccc2)c2nc(CC)n3c4ccccc4nc3c12 ZINC000013228199 558527224 /nfs/dbraw/zinc/52/72/24/558527224.db2.gz JWIRBIYVPAOYMS-UHFFFAOYSA-N 0 0 412.493 4.958 50 5 HJBARN Cc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c([N+](=O)[O-])c1 ZINC000004540047 558661670 /nfs/dbraw/zinc/66/16/70/558661670.db2.gz NFRVZHWJQFDIFO-NRFANRHFSA-N 0 0 402.406 4.610 50 5 HJBARN Cc1ccc(NC(=O)COc2ccc3ccccc3c2Br)c([N+](=O)[O-])c1 ZINC000016381853 558788811 /nfs/dbraw/zinc/78/88/11/558788811.db2.gz BOFWHTAOLWEAKD-UHFFFAOYSA-N 0 0 415.243 4.836 50 5 HJBARN O=C(Nc1c(-c2ccc(F)cc2)nc2ccccn21)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004597440 558833223 /nfs/dbraw/zinc/83/32/23/558833223.db2.gz MLZIPSPTNTZUDA-UHFFFAOYSA-N 0 0 410.792 4.954 50 5 HJBARN O=C(NCc1ccccc1Cl)c1ccc(N2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000004660537 558873647 /nfs/dbraw/zinc/87/36/47/558873647.db2.gz AEHQNPQNMNQYPK-UHFFFAOYSA-N 0 0 407.857 4.872 50 5 HJBARN O=[N+]([O-])c1cc(-c2ccc(Br)cc2[N+](=O)[O-])ccc1Br ZINC000004644734 558956565 /nfs/dbraw/zinc/95/65/65/558956565.db2.gz IQMKMQWWDTVUCA-UHFFFAOYSA-N 0 0 401.998 4.695 50 5 HJBARN O=C(COC(=O)c1c2ccccc2cc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000004808248 559068537 /nfs/dbraw/zinc/06/85/37/559068537.db2.gz YBFAWFFFVSXHLT-UHFFFAOYSA-N 0 0 400.390 4.697 50 5 HJBARN CCC1(CC)O[C@H](c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])Nc2ccccc21 ZINC000100110304 559154910 /nfs/dbraw/zinc/15/49/10/559154910.db2.gz NUBQYGLCQYFNJN-QGZVFWFLSA-N 0 0 402.363 4.567 50 5 HJBARN Cn1cc(/C=C\c2nc3ccccc3c(=O)n2-c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000033410586 559167275 /nfs/dbraw/zinc/16/72/75/559167275.db2.gz MTWSPFMBSBTZGV-PFONDFGASA-N 0 0 422.444 4.956 50 5 HJBARN O=C(Cc1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000004869915 559193556 /nfs/dbraw/zinc/19/35/56/559193556.db2.gz BPDPMVYLYADQAH-UHFFFAOYSA-N 0 0 409.829 4.682 50 5 HJBARN Cc1ccc(NC(=O)COC(=O)c2sc3ccccc3c2Cl)c([N+](=O)[O-])c1 ZINC000004870925 559194296 /nfs/dbraw/zinc/19/42/96/559194296.db2.gz MZNLOAQSEBUSMG-UHFFFAOYSA-N 0 0 404.831 4.567 50 5 HJBARN O=C1C(Nc2ccc(F)cc2)=C[C@@H](c2ccccc2[N+](=O)[O-])N1c1ccc(F)cc1 ZINC000100561548 559226249 /nfs/dbraw/zinc/22/62/49/559226249.db2.gz OOUIFPMEACLQLW-NRFANRHFSA-N 0 0 407.376 4.957 50 5 HJBARN C[C@H](OC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005017907 559228714 /nfs/dbraw/zinc/22/87/14/559228714.db2.gz PZVKONIXWZABGQ-LBPRGKRZSA-N 0 0 404.850 4.730 50 5 HJBARN Cc1nc2c(c3nc4ccccc4nc3n2-c2ccccc2)c(=O)n1Cc1ccccc1 ZINC000005021718 559229306 /nfs/dbraw/zinc/22/93/06/559229306.db2.gz LBVVAFLSCARUTC-UHFFFAOYSA-N 0 0 417.472 4.640 50 5 HJBARN CCOc1ccc(-n2c(/C=C/c3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)cc1 ZINC000005047828 559235525 /nfs/dbraw/zinc/23/55/25/559235525.db2.gz JZTLDSCRLMDPDG-LFIBNONCSA-N 0 0 413.433 4.863 50 5 HJBARN CCOc1ccc2c(c1)s/c(=N/C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)n2C ZINC000100815867 559269136 /nfs/dbraw/zinc/26/91/36/559269136.db2.gz QEVUAGJAMWKNAW-FMQUCBEESA-N 0 0 413.480 4.503 50 5 HJBARN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCCCO2 ZINC000005407908 560583462 /nfs/dbraw/zinc/58/34/62/560583462.db2.gz UJCYVQXOBZUYPL-LJQANCHMSA-N 0 0 404.850 4.537 50 5 HJBARN CCc1nc2c3ccccc3oc2c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000005561326 560617901 /nfs/dbraw/zinc/61/79/01/560617901.db2.gz OYNGMAGKAUGFRT-UHFFFAOYSA-N 0 0 408.439 4.577 50 5 HJBARN Cc1ccc2c(c1)s/c(=N/C(=O)c1cc3c(ccc4ccccc43)oc1=O)n2C ZINC000100843444 560759760 /nfs/dbraw/zinc/75/97/60/560759760.db2.gz KITHXZDWGQVUKZ-WCWDXBQESA-N 0 0 400.459 4.549 50 5 HJBARN COc1c(O)ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1[N+](=O)[O-] ZINC000015016222 560779503 /nfs/dbraw/zinc/77/95/03/560779503.db2.gz UHSZQIAOIGVZGC-QVKFZJNVSA-N 0 0 423.450 4.613 50 5 HJBARN O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000018203912 560783917 /nfs/dbraw/zinc/78/39/17/560783917.db2.gz FBJWYSYZIRRIOH-UEQSERJNSA-N 0 0 424.456 4.838 50 5 HJBARN C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1nc2ccccc2s1 ZINC000005687632 560783955 /nfs/dbraw/zinc/78/39/55/560783955.db2.gz QVIHTYCXESRPJI-VIFPVBQESA-N 0 0 410.377 4.662 50 5 HJBARN CCN(Cc1ccccc1)c1ccc(N2C(=O)[C@@H]3CC[C@H](C)C[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000102785449 560827594 /nfs/dbraw/zinc/82/75/94/560827594.db2.gz PVBKAVQLPVVWKM-DBVUQKKJSA-N 0 0 421.497 4.547 50 5 HJBARN Cn1cc([C@H](CC(=O)NCc2ccccc2)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000106798251 560893890 /nfs/dbraw/zinc/89/38/90/560893890.db2.gz ZQRRHGQINHVZKQ-JOCHJYFZSA-N 0 0 413.477 4.925 50 5 HJBARN O=[N+]([O-])c1ccc(-c2noc(CN3Cc4ccccc4[C@@H](c4ccccc4)C3)n2)cc1 ZINC000048289001 568434996 /nfs/dbraw/zinc/43/49/96/568434996.db2.gz HWGMOWWMTVAAJU-JOCHJYFZSA-N 0 0 412.449 4.793 50 5 HJBARN O=C(COc1ccc2ccccc2c1Br)Nc1cccc([N+](=O)[O-])c1 ZINC000000672429 568460671 /nfs/dbraw/zinc/46/06/71/568460671.db2.gz ATDZSCBQPWKRGW-UHFFFAOYSA-N 0 0 401.216 4.528 50 5 HJBARN COc1c(O)ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1[N+](=O)[O-] ZINC000000684621 568461300 /nfs/dbraw/zinc/46/13/00/568461300.db2.gz UHSZQIAOIGVZGC-VFNWGFHPSA-N 0 0 423.450 4.613 50 5 HJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000000793972 568480573 /nfs/dbraw/zinc/48/05/73/568480573.db2.gz RWGZGCQAEQFXDE-UHFFFAOYSA-N 0 0 408.439 4.565 50 5 HJBARN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(Cn2cccn2)cc1 ZINC000095448974 568612865 /nfs/dbraw/zinc/61/28/65/568612865.db2.gz UZWFSBMFUUQHMH-UHFFFAOYSA-N 0 0 424.526 4.518 50 5 HJBARN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc3oc4ccccc4c(=O)c3c2)c1 ZINC000095457278 568618404 /nfs/dbraw/zinc/61/84/04/568618404.db2.gz SXEBYZXOPSUIFJ-LIRRHRJNSA-N 0 0 412.445 4.793 50 5 HJBARN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1c2ccccc2oc1C(=O)N1CCCCCC1 ZINC000020900599 568649633 /nfs/dbraw/zinc/64/96/33/568649633.db2.gz BQGRUUHELITGKV-UHFFFAOYSA-N 0 0 421.453 4.538 50 5 HJBARN COC(=O)c1ccc2c(c1)N(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1S2 ZINC000021089174 568663826 /nfs/dbraw/zinc/66/38/26/568663826.db2.gz KKYPFIJRKXDHGD-UHFFFAOYSA-N 0 0 420.446 4.693 50 5 HJBARN Cc1[nH]c(CN(C)C(=O)Nc2cccc3cnccc32)nc1-c1cccc([N+](=O)[O-])c1 ZINC000095963763 568670396 /nfs/dbraw/zinc/67/03/96/568670396.db2.gz XCZDRCHVRRXZNX-UHFFFAOYSA-N 0 0 416.441 4.505 50 5 HJBARN COC(=O)c1cc([N+](=O)[O-])c(F)c(F)c1Nc1ccc(Br)cc1Cl ZINC000096179492 568702370 /nfs/dbraw/zinc/70/23/70/568702370.db2.gz NEODSKGOLLVEHE-UHFFFAOYSA-N 0 0 421.581 4.819 50 5 HJBARN CC[C@@H](C)N(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)/C=C/c1ccccc1 ZINC000096288389 568719487 /nfs/dbraw/zinc/71/94/87/568719487.db2.gz LEZAJEQFOOZBMI-RKCSUWQLSA-N 0 0 420.469 4.528 50 5 HJBARN CCOC(=O)c1cnc2ccc(Br)cc2c1Nc1cccc([N+](=O)[O-])c1 ZINC000000951949 568756714 /nfs/dbraw/zinc/75/67/14/568756714.db2.gz MSIRNYGKTHRHLC-UHFFFAOYSA-N 0 0 416.231 4.826 50 5 HJBARN Cc1c(OC(=O)c2ccccc2[N+](=O)[O-])ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000000950206 568756766 /nfs/dbraw/zinc/75/67/66/568756766.db2.gz SHIWGYUMKZPQPI-UHFFFAOYSA-N 0 0 401.374 4.896 50 5 HJBARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000025250143 568760191 /nfs/dbraw/zinc/76/01/91/568760191.db2.gz JPHHTCALPHMFIJ-QGZVFWFLSA-N 0 0 424.526 4.537 50 5 HJBARN O=C(Nc1nnc(CSc2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000096562432 568760416 /nfs/dbraw/zinc/76/04/16/568760416.db2.gz GHXKNMLDKQWEFZ-UHFFFAOYSA-N 0 0 406.876 4.644 50 5 HJBARN COc1c(O)ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1[N+](=O)[O-] ZINC000001007338 568761233 /nfs/dbraw/zinc/76/12/33/568761233.db2.gz UHSZQIAOIGVZGC-YCRPNKLZSA-N 0 0 423.450 4.613 50 5 HJBARN COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c([N+](=O)[O-])cc1OC ZINC000001011753 568763163 /nfs/dbraw/zinc/76/31/63/568763163.db2.gz CDFNCPUYNURQNP-FRKPEAEDSA-N 0 0 420.830 4.506 50 5 HJBARN COc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nc3cccc(C)c3c(=O)o2)cc1 ZINC000001046873 568764655 /nfs/dbraw/zinc/76/46/55/568764655.db2.gz MAZQNXRFYRYBCT-UHFFFAOYSA-N 0 0 404.378 4.873 50 5 HJBARN COc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)C(C)C ZINC000001068448 568766041 /nfs/dbraw/zinc/76/60/41/568766041.db2.gz VXRQPUVBSVCGSA-UHFFFAOYSA-N 0 0 423.425 4.710 50 5 HJBARN COc1ccc(C(=O)[C@@H](C)Oc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000001108876 568768743 /nfs/dbraw/zinc/76/87/43/568768743.db2.gz ZBSDRBNHOLDLMU-OAHLLOKOSA-N 0 0 420.421 4.506 50 5 aggregator HJBARN COc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000001145978 568772500 /nfs/dbraw/zinc/77/25/00/568772500.db2.gz JHEUPPYGOHEVEH-UHFFFAOYSA-N 0 0 408.254 4.893 50 5 HJBARN COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001151911 568774071 /nfs/dbraw/zinc/77/40/71/568774071.db2.gz ZECVJRCSLVPDNN-UHFFFAOYSA-N 0 0 416.389 4.833 50 5 HJBARN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000225735713 568780119 /nfs/dbraw/zinc/78/01/19/568780119.db2.gz YETXABURLMYIIA-UXHICEINSA-N 0 0 402.516 4.583 50 5 HJBARN Cc1sc2ncn3nc(-c4ccc(COc5ccc([N+](=O)[O-])cc5)o4)nc3c2c1C ZINC000002791504 568809406 /nfs/dbraw/zinc/80/94/06/568809406.db2.gz SNHGBRKKVXFVPU-UHFFFAOYSA-N 0 0 421.438 4.703 50 5 HJBARN CC(C)c1ccc(NC(=O)c2cnn3c2nccc3-c2cccc([N+](=O)[O-])c2)cc1 ZINC000002798212 568809685 /nfs/dbraw/zinc/80/96/85/568809685.db2.gz XVZRXHJEPKGGLC-UHFFFAOYSA-N 0 0 401.426 4.680 50 5 HJBARN CC(C)(c1ccccc1)c1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002838982 568812653 /nfs/dbraw/zinc/81/26/53/568812653.db2.gz NJTADBUOSJCEPX-UHFFFAOYSA-N 0 0 404.466 4.730 50 5 HJBARN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1c(F)c(F)c(F)c(F)c1F ZINC000002846118 568812813 /nfs/dbraw/zinc/81/28/13/568812813.db2.gz JKPDRCJCQMBHMK-UHFFFAOYSA-N 0 0 415.299 4.666 50 5 HJBARN O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000002857834 568813348 /nfs/dbraw/zinc/81/33/48/568813348.db2.gz GGVJKXXIIQWAJS-UHFFFAOYSA-N 0 0 406.229 4.790 50 5 HJBARN O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000001175352 568818907 /nfs/dbraw/zinc/81/89/07/568818907.db2.gz NHSKTDAGILXFQP-UHFFFAOYSA-N 0 0 404.662 4.682 50 5 HJBARN O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)nc1 ZINC000029527627 568827577 /nfs/dbraw/zinc/82/75/77/568827577.db2.gz WCKVZVIJOSKNJP-UHFFFAOYSA-N 0 0 414.918 4.694 50 5 HJBARN O=C(NCCc1c[nH]c2ccccc12)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000005897376 568828582 /nfs/dbraw/zinc/82/85/82/568828582.db2.gz NMYGNCYQSQUUHM-UHFFFAOYSA-N 0 0 414.465 4.661 50 5 HJBARN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Sc1nc2ccccc2s1 ZINC000002977016 568831530 /nfs/dbraw/zinc/83/15/30/568831530.db2.gz JFMKAJVOAZEPMX-UHFFFAOYSA-N 0 0 420.415 4.649 50 5 HJBARN CC[C@H]1CCCN1CNC(=O)c1ccc(Sc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000003020142 568838892 /nfs/dbraw/zinc/83/88/92/568838892.db2.gz SOMDZLGJUATFOI-INIZCTEOSA-N 0 0 419.934 4.961 50 5 HJBARN O=C(CSc1nnc(-c2ccccc2)c2ccccc21)Nc1cccc([N+](=O)[O-])c1 ZINC000012569192 568861418 /nfs/dbraw/zinc/86/14/18/568861418.db2.gz WFXYBYMKNUTRHC-UHFFFAOYSA-N 0 0 416.462 4.936 50 5 HJBARN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2nnc(C(C)C)s2)cc1 ZINC000030597531 568873696 /nfs/dbraw/zinc/87/36/96/568873696.db2.gz BRXSWXDYIXYLOY-UHFFFAOYSA-N 0 0 414.443 4.623 50 5 HJBARN O=C(COC(=O)c1ccc([N+](=O)[O-])s1)Nc1ccccc1Sc1ccccc1 ZINC000003301335 568876598 /nfs/dbraw/zinc/87/65/98/568876598.db2.gz RZCXCEOUHLYBJP-UHFFFAOYSA-N 0 0 414.464 4.603 50 5 HJBARN COc1ccccc1-n1c2ccc([N+](=O)[O-])cc2nc1SCc1c(C)noc1C ZINC000003323224 568880754 /nfs/dbraw/zinc/88/07/54/568880754.db2.gz UIEDHHLPHQXZLJ-UHFFFAOYSA-N 0 0 410.455 4.839 50 5 HJBARN Cc1c2oc3c(nc4[nH]ncc4c3-c3cc4cccc5c4n(c3=O)CCC5)c2ccc1O ZINC000217717447 568907857 /nfs/dbraw/zinc/90/78/57/568907857.db2.gz YFKOGVAMZZMMRI-UHFFFAOYSA-N 0 0 422.444 4.799 50 5 biogenic HJBARN COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)c1 ZINC000025782270 568914880 /nfs/dbraw/zinc/91/48/80/568914880.db2.gz FIJUYMJOTUDCJO-JTHBVZDNSA-N 0 0 401.422 4.846 50 5 HJBARN COc1cc(/C=C/C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000004043104 568935753 /nfs/dbraw/zinc/93/57/53/568935753.db2.gz FEZCPUOJTMDGKK-WYMLVPIESA-N 0 0 404.422 4.834 50 5 HJBARN Cc1cc(C)cc(-n2nc3c(c2NC(=O)c2cccc([N+](=O)[O-])c2C)CSC3)c1 ZINC000004176137 568948676 /nfs/dbraw/zinc/94/86/76/568948676.db2.gz FIOIGCXFGZYAMA-UHFFFAOYSA-N 0 0 408.483 4.705 50 5 HJBARN O=C(Cn1cc(SCc2ccc([N+](=O)[O-])cc2)c2ccccc21)N1CCCCC1 ZINC000004272471 568957318 /nfs/dbraw/zinc/95/73/18/568957318.db2.gz JRFAXNMXFYYXJG-UHFFFAOYSA-N 0 0 409.511 4.854 50 5 HJBARN CCNc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000084791130 568959774 /nfs/dbraw/zinc/95/97/74/568959774.db2.gz ZVPFKAWNVUIUQP-LJQANCHMSA-N 0 0 413.524 4.938 50 5 HJBARN C[C@@H](Oc1ccccc1)c1nc2ccccc2n1CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000008344200 568994223 /nfs/dbraw/zinc/99/42/23/568994223.db2.gz XKBHBKXGPOAIHJ-MRXNPFEDSA-N 0 0 416.437 4.723 50 5 HJBARN COc1ccc(-c2noc(-c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)n2)cc1OC ZINC000015833801 569012750 /nfs/dbraw/zinc/01/27/50/569012750.db2.gz LPIQOHDHAPNABK-CQSZACIVSA-N 0 0 424.457 4.565 50 5 HJBARN CCCCOC(=O)COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000012910543 569021549 /nfs/dbraw/zinc/02/15/49/569021549.db2.gz ISMPCNJMOLPYNP-UHFFFAOYSA-N 0 0 407.806 4.541 50 5 HJBARN Cc1cc(C(=O)Nc2cc(Oc3ccc(Cl)c(C)c3)cc([N+](=O)[O-])c2)n(C)n1 ZINC000006527809 569063190 /nfs/dbraw/zinc/06/31/90/569063190.db2.gz CDCBRGNCAKDLPH-UHFFFAOYSA-N 0 0 400.822 4.643 50 5 HJBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(Oc2ccccc2)c1 ZINC000006551704 569065209 /nfs/dbraw/zinc/06/52/09/569065209.db2.gz DONHJLLEPPEZED-UHFFFAOYSA-N 0 0 407.378 4.611 50 5 HJBARN CCOc1ccc2nc(S[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 ZINC000006650289 569080537 /nfs/dbraw/zinc/08/05/37/569080537.db2.gz WEJJFVDWVQYMBI-LLVKDONJSA-N 0 0 403.485 4.723 50 5 HJBARN COc1ccc(NC(=O)CCCn2c3ccccc3c(=O)c3ccccc32)cc1OC ZINC000006720461 569098314 /nfs/dbraw/zinc/09/83/14/569098314.db2.gz OBKAPTLNVBSDTF-UHFFFAOYSA-N 0 0 416.477 4.591 50 5 HJBARN Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006740079 569106623 /nfs/dbraw/zinc/10/66/23/569106623.db2.gz BEHWILLLKHBBJO-UHFFFAOYSA-N 0 0 403.463 4.895 50 5 HJBARN Cc1ccn2c(=O)cc(CSc3nc4ccccc4c4nc5ccccc5n43)nc2c1 ZINC000036186818 569106767 /nfs/dbraw/zinc/10/67/67/569106767.db2.gz DLYLHQNXYFGXES-UHFFFAOYSA-N 0 0 423.501 4.644 50 5 HJBARN Cc1ccc(N([C@H](C)c2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000036247669 569117101 /nfs/dbraw/zinc/11/71/01/569117101.db2.gz CPIYBMZUYYAJLS-MRXNPFEDSA-N 0 0 414.458 4.999 50 5 HJBARN C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006840915 569151616 /nfs/dbraw/zinc/15/16/16/569151616.db2.gz VXUPUKNXWNSMJJ-SNVBAGLBSA-N 0 0 407.304 4.582 50 5 HJBARN C[C@H](OC(=O)c1cccc(Cl)c1Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006987055 569195853 /nfs/dbraw/zinc/19/58/53/569195853.db2.gz YGJUCUIXCSNLMB-VIFPVBQESA-N 0 0 408.197 4.870 50 5 HJBARN Cc1noc2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)Nc3cccc(C)c3C)c12 ZINC000036618469 569210119 /nfs/dbraw/zinc/21/01/19/569210119.db2.gz YBIGKOMSUQZCNI-UHFFFAOYSA-N 0 0 402.410 4.976 50 5 HJBARN CCCn1c(CN2CCCCC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000065322214 569224472 /nfs/dbraw/zinc/22/44/72/569224472.db2.gz DLZMRUHHXLJCBR-UHFFFAOYSA-N 0 0 421.501 4.593 50 5 HJBARN Cc1ccc(C(=O)CSc2nc(C(F)(F)F)nc3ccccc32)cc1[N+](=O)[O-] ZINC000007160645 569226012 /nfs/dbraw/zinc/22/60/12/569226012.db2.gz OYUPMGOUDZCNLK-UHFFFAOYSA-N 0 0 407.373 4.840 50 5 HJBARN CCOCCCn1c(=O)c2ccccc2nc1S[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000007298570 569232571 /nfs/dbraw/zinc/23/25/71/569232571.db2.gz FSIRNLNOKZCUOG-OAHLLOKOSA-N 0 0 413.499 4.585 50 5 HJBARN O=C(/N=c1\scc(-c2ccccc2)n1-c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000016711334 569261391 /nfs/dbraw/zinc/26/13/91/569261391.db2.gz NZLVFUNGZRBQJG-FCQUAONHSA-N 0 0 401.447 4.855 50 5 HJBARN Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 ZINC000016992555 569270733 /nfs/dbraw/zinc/27/07/33/569270733.db2.gz XSWQUESMFUQWIW-ZDUSSCGKSA-N 0 0 418.478 4.871 50 5 HJBARN Cc1c(C(=O)N2c3ccccc3C[C@H]2C)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 ZINC000016992552 569270751 /nfs/dbraw/zinc/27/07/51/569270751.db2.gz XSWQUESMFUQWIW-CYBMUJFWSA-N 0 0 418.478 4.871 50 5 HJBARN N=c1oc2ccc([N+](=O)[O-])cc2cc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000017089039 569273678 /nfs/dbraw/zinc/27/36/78/569273678.db2.gz XHUAWKYJWHUFRV-UHFFFAOYSA-N 0 0 411.723 4.745 50 5 HJBARN CCCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc2c1CC[C@@H](C)C2 ZINC000002085400 569277977 /nfs/dbraw/zinc/27/79/77/569277977.db2.gz RXUMCJBOZFASNH-GFCCVEGCSA-N 0 0 416.499 4.909 50 5 HJBARN CCCCn1nc(NC(=O)c2cccc([N+](=O)[O-])c2)c2cc3cc(OC)ccc3nc21 ZINC000002194182 569293891 /nfs/dbraw/zinc/29/38/91/569293891.db2.gz BSYMQVRNQRKKGN-UHFFFAOYSA-N 0 0 419.441 4.554 50 5 HJBARN CCCCCn1c2ncn(Cc3ccc(C)cc3)c(=O)c2c2nc3ccccc3nc21 ZINC000002254465 569326166 /nfs/dbraw/zinc/32/61/66/569326166.db2.gz KVCRVZWQPKFRTL-UHFFFAOYSA-N 0 0 411.509 4.841 50 5 HJBARN CC(C)Cn1c2ncn(Cc3ccccc3Cl)c(=O)c2c2nc3ccccc3nc21 ZINC000002255931 569326298 /nfs/dbraw/zinc/32/62/98/569326298.db2.gz HLRMYMQHUCUFCK-UHFFFAOYSA-N 0 0 417.900 4.652 50 5 HJBARN CCOc1ccc(-n2c3ncn([C@H](C)CC)c(=O)c3c3nc4ccccc4nc32)cc1 ZINC000002406693 569396243 /nfs/dbraw/zinc/39/62/43/569396243.db2.gz NILKIPKPBUSADO-OAHLLOKOSA-N 0 0 413.481 4.653 50 5 HJBARN O=C1S/C(=C\C(Cl)=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(O)cc1 ZINC000055253669 569396769 /nfs/dbraw/zinc/39/67/69/569396769.db2.gz WUMXMPVWMWCKFY-MNXDUIDKSA-N 0 0 402.815 4.664 50 5 HJBARN Cc1cc(C)cc(-n2c3nc4ccccc4nc3c3c2ncn(CCC(C)C)c3=O)c1 ZINC000002428872 569398851 /nfs/dbraw/zinc/39/88/51/569398851.db2.gz UXDDSFVQXAIABU-UHFFFAOYSA-N 0 0 411.509 4.947 50 5 HJBARN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000012989475 569406007 /nfs/dbraw/zinc/40/60/07/569406007.db2.gz DBVVBPJEYXCDSS-HXUWFJFHSA-N 0 0 417.893 4.813 50 5 HJBARN O=C(Nc1ccccc1)c1sc(NC[C@@H]2CCCO2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000013145929 569409850 /nfs/dbraw/zinc/40/98/50/569409850.db2.gz IFJZSOGZPJVETR-KRWDZBQOSA-N 0 0 424.482 4.562 50 5 HJBARN O=C1C[C@H](c2ccccc2)c2c(-c3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c2N1 ZINC000013362056 569411532 /nfs/dbraw/zinc/41/15/32/569411532.db2.gz PCPAGPUAUJAZRK-HXUWFJFHSA-N 0 0 410.433 4.922 50 5 HJBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019309270 569415743 /nfs/dbraw/zinc/41/57/43/569415743.db2.gz BDZXXRVHKUFKRP-UHFFFAOYSA-N 0 0 416.481 4.534 50 5 HJBARN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(C)Cc3cccc([N+](=O)[O-])c3)c12 ZINC000040133648 571186203 /nfs/dbraw/zinc/18/62/03/571186203.db2.gz WTCGSYCXMKFQFT-UHFFFAOYSA-N 0 0 421.501 4.553 50 5 HJBARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCOc1ccccc1[N+](=O)[O-] ZINC000009065372 571217881 /nfs/dbraw/zinc/21/78/81/571217881.db2.gz VKNQXCXFUREHNG-UHFFFAOYSA-N 0 0 421.840 4.704 50 5 HJBARN CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccccc2Cl)N[C@@H](c2ccccc2Cl)[C@H]1[N+](=O)[O-] ZINC000245328246 571224704 /nfs/dbraw/zinc/22/47/04/571224704.db2.gz UPLODQWJFKBBKR-WNRNVDISSA-N 0 0 424.284 4.696 50 5 HJBARN Cc1cccc2cc(CN(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc3)c(=O)[nH]c12 ZINC000009272325 571244426 /nfs/dbraw/zinc/24/44/26/571244426.db2.gz ZHKPMDCWBBFDED-UHFFFAOYSA-N 0 0 413.433 4.592 50 5 HJBARN Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc([N+](=O)[O-])cc3)C3CCCCC3)cc2c1 ZINC000009281861 571244657 /nfs/dbraw/zinc/24/46/57/571244657.db2.gz AVUZLIJMYHAQPQ-UHFFFAOYSA-N 0 0 419.481 4.720 50 5 HJBARN CC(C)Oc1ccc(C(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CSC3)cc1 ZINC000009390988 571254584 /nfs/dbraw/zinc/25/45/84/571254584.db2.gz IECPLOGFPXIESM-UHFFFAOYSA-N 0 0 424.482 4.567 50 5 HJBARN C[C@@H](Sc1ncnc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000009589128 571271642 /nfs/dbraw/zinc/27/16/42/571271642.db2.gz FTWRCASTKONFHI-SNVBAGLBSA-N 0 0 422.388 4.676 50 5 HJBARN Cc1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1Br ZINC000009861248 571288682 /nfs/dbraw/zinc/28/86/82/571288682.db2.gz JEXVCWWRZIOTFP-UHFFFAOYSA-N 0 0 421.294 4.864 50 5 HJBARN COc1ccc(C)c2sc(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])o3)nc21 ZINC000010187550 571296021 /nfs/dbraw/zinc/29/60/21/571296021.db2.gz AHJXRPPPUBSZOA-UHFFFAOYSA-N 0 0 423.450 4.962 50 5 HJBARN CCc1ccccc1NC(=O)c1ccc(N2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000004668193 132281595 /nfs/dbraw/zinc/28/15/95/132281595.db2.gz QZNNMJRQGGPMPR-UHFFFAOYSA-N 0 0 401.466 4.972 50 5 HJBARN O=C(c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1)N1CCCc2ccccc21 ZINC000004759770 132288150 /nfs/dbraw/zinc/28/81/50/132288150.db2.gz WPIQWSWMQDUVMI-UHFFFAOYSA-N 0 0 401.466 4.842 50 5 HJBARN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000004983070 132297688 /nfs/dbraw/zinc/29/76/88/132297688.db2.gz FGEIEHPQNIQPJU-RYUDHWBXSA-N 0 0 409.269 4.746 50 5 HJBARN O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000005027997 132298778 /nfs/dbraw/zinc/29/87/78/132298778.db2.gz GDYNCNBZMFRKBU-UHFFFAOYSA-N 0 0 408.502 4.828 50 5 HJBARN Cc1oc(C(C)(C)C)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000005090829 132300464 /nfs/dbraw/zinc/30/04/64/132300464.db2.gz ZHRRUBWGGTYGFK-CYBMUJFWSA-N 0 0 419.909 4.798 50 5 HJBARN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCN(c2ccccc2F)CC1 ZINC000005897313 132308429 /nfs/dbraw/zinc/30/84/29/132308429.db2.gz JJQUQDHUZOVBJO-UHFFFAOYSA-N 0 0 403.763 4.733 50 5 HJBARN O=C(Nc1ccccc1F)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000012512317 132361244 /nfs/dbraw/zinc/36/12/44/132361244.db2.gz QJHYECDTWWGVIL-UHFFFAOYSA-N 0 0 411.355 4.608 50 5 HJBARN C[C@H](Nc1ccc(N2CCC(C)CC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000012558855 132363934 /nfs/dbraw/zinc/36/39/34/132363934.db2.gz HSZNYXPPYQBADE-HNNXBMFYSA-N 0 0 416.909 4.924 50 5 HJBARN C[C@H]1CCCN(c2ccc(C(=O)OCC(=O)c3ccc(Cl)s3)cc2[N+](=O)[O-])C1 ZINC000012660898 132365887 /nfs/dbraw/zinc/36/58/87/132365887.db2.gz FURGVFSGEISKMF-LBPRGKRZSA-N 0 0 422.890 4.586 50 5 HJBARN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)c2nc3ccccc3s2)CC1 ZINC000026962026 132490472 /nfs/dbraw/zinc/49/04/72/132490472.db2.gz SFQIDWPGPNJUQT-UHFFFAOYSA-N 0 0 410.499 4.717 50 5 HJBARN Cc1cc(C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000032925169 524123071 /nfs/dbraw/zinc/12/30/71/524123071.db2.gz AWZCZEZCQUVTLK-INIZCTEOSA-N 0 0 403.438 4.647 50 5 HJBARN CSc1ccc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043191042 525951454 /nfs/dbraw/zinc/95/14/54/525951454.db2.gz WWZHJBQQUVEAGV-UHFFFAOYSA-N 0 0 401.669 4.985 50 5 HJBARN COc1ccc(Cl)cc1NC(=O)Cn1c2ccccc2c(=O)c2cc(C)ccc21 ZINC000006720359 557717111 /nfs/dbraw/zinc/71/71/11/557717111.db2.gz UKICZYWOBLOQAS-UHFFFAOYSA-N 0 0 406.869 4.764 50 5 HJBARN COc1cc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])cc1OC(F)F ZINC000010958596 558605773 /nfs/dbraw/zinc/60/57/73/558605773.db2.gz HMYKXMQDVOWULZ-TWSLPJAOSA-N 0 0 424.444 4.540 50 5 HJBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)CSc3ccc(Cl)cc3)nc21 ZINC000004496556 558611051 /nfs/dbraw/zinc/61/10/51/558611051.db2.gz LCKRIIDNNHSPCC-UHFFFAOYSA-N 0 0 409.876 4.597 50 5 HJBARN O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000010985944 558641764 /nfs/dbraw/zinc/64/17/64/558641764.db2.gz CNEWKONROPVMHB-UHFFFAOYSA-N 0 0 402.863 4.710 50 5 HJBARN Cc1cc(Cl)ccc1NC(=O)Cn1c2ccccc2c(=O)c2cc([N+](=O)[O-])ccc21 ZINC000027533688 558674324 /nfs/dbraw/zinc/67/43/24/558674324.db2.gz JKTGAKIRYLYPNY-UHFFFAOYSA-N 0 0 421.840 4.663 50 5 HJBARN CCOC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CC[C@@H](CC)C2 ZINC000004558420 558678709 /nfs/dbraw/zinc/67/87/09/558678709.db2.gz JZXIJOYJQUFQQY-GFCCVEGCSA-N 0 0 402.472 4.600 50 5 HJBARN Cc1cccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)c1[N+](=O)[O-] ZINC000022185004 558864364 /nfs/dbraw/zinc/86/43/64/558864364.db2.gz ZZUMFBPCFWVTBT-UHFFFAOYSA-N 0 0 407.348 4.523 50 5 HJBARN COc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)cc2)cc1[N+](=O)[O-] ZINC000013946040 558984774 /nfs/dbraw/zinc/98/47/74/558984774.db2.gz ZROQXEFJGYEAKB-UHFFFAOYSA-N 0 0 419.462 4.810 50 5 HJBARN COc1ccc(NC(=O)c2sc3nc(-c4cccc([N+](=O)[O-])c4)cn3c2C)cc1 ZINC000004931130 559209802 /nfs/dbraw/zinc/20/98/02/559209802.db2.gz SCXFQAUZWGZVBX-UHFFFAOYSA-N 0 0 408.439 4.540 50 5 HJBARN O=C1C(Nc2ccc(F)cc2)=C[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(F)cc1 ZINC000100561546 559226143 /nfs/dbraw/zinc/22/61/43/559226143.db2.gz XAKHTYLODRMDSB-NRFANRHFSA-N 0 0 407.376 4.957 50 5 HJBARN Cc1ccc(Cn2c3ncn(C4CCCC4)c(=O)c3c3nc4ccccc4nc32)cc1 ZINC000005065670 559239764 /nfs/dbraw/zinc/23/97/64/559239764.db2.gz DYBYECAWYTZACC-UHFFFAOYSA-N 0 0 409.493 4.766 50 5 HJBARN Cc1c(NC(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)cccc1[N+](=O)[O-] ZINC000005131993 559249578 /nfs/dbraw/zinc/24/95/78/559249578.db2.gz IJVUSKZBDSCRCU-UHFFFAOYSA-N 0 0 405.435 4.872 50 5 HJBARN O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 ZINC000005141782 559251740 /nfs/dbraw/zinc/25/17/40/559251740.db2.gz SOPGDRKYGQBYCO-CVDCTZTESA-N 0 0 415.405 4.566 50 5 HJBARN CCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2cccc(Cl)c2)c1=O ZINC000005151579 559253951 /nfs/dbraw/zinc/25/39/51/559253951.db2.gz VJOMATYMQIZYIX-UHFFFAOYSA-N 0 0 403.873 4.655 50 5 HJBARN Cc1ccc(Cn2c3nc4ccccc4nc3c3c2ncn(CCC(C)C)c3=O)cc1 ZINC000005156305 559258586 /nfs/dbraw/zinc/25/85/86/559258586.db2.gz APXACURTSLPPRX-UHFFFAOYSA-N 0 0 411.509 4.697 50 5 HJBARN Cc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)C2CCCCC2)c(C)c1 ZINC000005196920 559291968 /nfs/dbraw/zinc/29/19/68/559291968.db2.gz ODGCTXSSNGDTCW-JCMHNJIXSA-N 0 0 421.497 4.888 50 5 aggregator HJBARN COc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])o3)sc2c1 ZINC000005299714 560564036 /nfs/dbraw/zinc/56/40/36/560564036.db2.gz UAVQTJWZWOECRS-UHFFFAOYSA-N 0 0 409.423 4.653 50 5 HJBARN CCOP(=O)(OCC)[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000005601014 560629042 /nfs/dbraw/zinc/62/90/42/560629042.db2.gz YPDLFOJNULJGOM-KRWDZBQOSA-N 0 0 407.363 4.681 50 5 HJBARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(NCCCc4ccccc4)c([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000102642554 560819701 /nfs/dbraw/zinc/81/97/01/560819701.db2.gz WPWBTOOPKSENPW-NSISKUIASA-N 0 0 421.497 4.565 50 5 HJBARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(NCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000102781514 560827377 /nfs/dbraw/zinc/82/73/77/560827377.db2.gz RLHFRSPKYISWHH-CALCHBBNSA-N 0 0 413.861 4.540 50 5 HJBARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1c1ccc(N[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000102783652 560827463 /nfs/dbraw/zinc/82/74/63/560827463.db2.gz OIACWXOBHWFCLW-HSALFYBXSA-N 0 0 417.465 4.540 50 5 HJBARN O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000000675108 568460666 /nfs/dbraw/zinc/46/06/66/568460666.db2.gz HHQQZYOAPUXRKS-UHFFFAOYSA-N 0 0 404.662 4.682 50 5 HJBARN COc1ccc([C@H](C[N+](=O)[O-])c2c3ccccc3n(O)c2-c2ccccc2)c(OC)c1 ZINC000000723801 568466200 /nfs/dbraw/zinc/46/62/00/568466200.db2.gz HPXCRAQSFQKFNS-FQEVSTJZSA-N 0 0 418.449 4.971 50 5 HJBARN O=C(c1cccs1)N1CCc2c3ccccc3[nH]c2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000005777005 568482941 /nfs/dbraw/zinc/48/29/41/568482941.db2.gz ANDKNXSBKDTNEV-OAQYLSRUSA-N 0 0 403.463 4.926 50 5 HJBARN CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CC[C@@H](C)C2 ZINC000000799285 568483678 /nfs/dbraw/zinc/48/36/78/568483678.db2.gz VFPZPJSTVRKVCX-SNVBAGLBSA-N 0 0 422.890 4.864 50 5 HJBARN CC(C)[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nc(-c2ccncc2)no1 ZINC000095348907 568600170 /nfs/dbraw/zinc/60/01/70/568600170.db2.gz DTOSNEGSAWHJTK-HXUWFJFHSA-N 0 0 419.441 4.787 50 5 HJBARN CCOc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000021105442 568667017 /nfs/dbraw/zinc/66/70/17/568667017.db2.gz DAEUTSOEZOWVDT-HXUWFJFHSA-N 0 0 424.844 4.813 50 5 HJBARN CCOc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000021105447 568667091 /nfs/dbraw/zinc/66/70/91/568667091.db2.gz DAEUTSOEZOWVDT-FQEVSTJZSA-N 0 0 424.844 4.813 50 5 HJBARN CC(C)Oc1c(Cl)cccc1NC(=O)c1c[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000096011226 568684103 /nfs/dbraw/zinc/68/41/03/568684103.db2.gz LYKCZLIXSCULLJ-UHFFFAOYSA-N 0 0 400.822 4.678 50 5 HJBARN O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)c1ccccc1[N+](=O)[O-] ZINC000000848273 568711078 /nfs/dbraw/zinc/71/10/78/568711078.db2.gz KCZRGYMAHOHNCX-UHFFFAOYSA-N 0 0 418.272 4.657 50 5 HJBARN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000096277809 568716193 /nfs/dbraw/zinc/71/61/93/568716193.db2.gz WLZCJDLMVGXNPQ-SJKOYZFVSA-N 0 0 414.849 4.815 50 5 HJBARN O=C(Nc1ccc(OCC(F)(F)C(F)F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000947649 568752893 /nfs/dbraw/zinc/75/28/93/568752893.db2.gz YSVRWOVBMZCKRE-UHFFFAOYSA-N 0 0 406.719 4.780 50 5 HJBARN COc1ccccc1-c1nc2cc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2o1 ZINC000000974477 568758892 /nfs/dbraw/zinc/75/88/92/568758892.db2.gz OXBAKTUJTQHPGN-UHFFFAOYSA-N 0 0 403.394 4.972 50 5 HJBARN Cc1ccc(C)c(N[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)c1 ZINC000000973379 568758943 /nfs/dbraw/zinc/75/89/43/568758943.db2.gz AXIHBEALLFZARK-MRXNPFEDSA-N 0 0 416.692 4.750 50 5 HJBARN O=C1OC(c2ccco2)=N/C1=C/c1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000001117864 568770794 /nfs/dbraw/zinc/77/07/94/568770794.db2.gz WLCOVNYUMUWDIT-GZTJUZNOSA-N 0 0 424.796 4.765 50 5 HJBARN CCOc1ccc(C(=O)NC(=S)Nc2ccccc2[C@H](C)CC)cc1[N+](=O)[O-] ZINC000001130825 568773052 /nfs/dbraw/zinc/77/30/52/568773052.db2.gz IKXPGMVTNBJQKD-CYBMUJFWSA-N 0 0 401.488 4.634 50 5 HJBARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000001153299 568774058 /nfs/dbraw/zinc/77/40/58/568774058.db2.gz DFLUURMMSHWWRB-QMMMGPOBSA-N 0 0 412.254 4.917 50 5 HJBARN CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3C)c2)cc1[N+](=O)[O-] ZINC000001167612 568775426 /nfs/dbraw/zinc/77/54/26/568775426.db2.gz KQJJFFHNBFGRCZ-UHFFFAOYSA-N 0 0 419.437 4.807 50 5 HJBARN COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc2c1CCCCCC2 ZINC000002759971 568806607 /nfs/dbraw/zinc/80/66/07/568806607.db2.gz ZKZRWFLGIXECDG-UHFFFAOYSA-N 0 0 402.472 4.663 50 5 HJBARN O=C(COC(=O)c1ccco1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000001170991 568821179 /nfs/dbraw/zinc/82/11/79/568821179.db2.gz ZXKQSBUIFXGCBO-UHFFFAOYSA-N 0 0 401.758 4.673 50 5 HJBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nc3ccccc3s2)c(O)c1 ZINC000001206723 568823270 /nfs/dbraw/zinc/82/32/70/568823270.db2.gz QKJIQGBJUWJYMP-UHFFFAOYSA-N 0 0 421.434 4.595 50 5 HJBARN CC[C@H](C)[C@@H]1N=C2c3ccccc3N=C(SCc3ccc([N+](=O)[O-])cc3)N2C1=O ZINC000002964576 568830832 /nfs/dbraw/zinc/83/08/32/568830832.db2.gz AJCCIHWETJSUPB-UGSOOPFHSA-N 0 0 408.483 4.533 50 5 HJBARN COc1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3o2)cc1 ZINC000002980819 568832948 /nfs/dbraw/zinc/83/29/48/568832948.db2.gz ICJVUHNIMLOTGX-UHFFFAOYSA-N 0 0 403.394 4.972 50 5 HJBARN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3cccnc3[N+](=O)[O-])ccc21 ZINC000005971269 568833212 /nfs/dbraw/zinc/83/32/12/568833212.db2.gz QSBNSYKEZLCENC-AWEZNQCLSA-N 0 0 404.426 4.524 50 5 HJBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1OC(F)(F)F ZINC000012527479 568843597 /nfs/dbraw/zinc/84/35/97/568843597.db2.gz XQNIZZREXXFTSD-UHFFFAOYSA-N 0 0 412.367 4.692 50 5 HJBARN Cc1ccc(C(=O)N[C@H](Cc2nc3ccccc3n2C)c2ccccc2)cc1[N+](=O)[O-] ZINC000012601270 568870047 /nfs/dbraw/zinc/87/00/47/568870047.db2.gz KIVPFUYIEJXNKJ-HXUWFJFHSA-N 0 0 414.465 4.504 50 5 HJBARN Cc1nc(-c2ccc(CCNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)cs1 ZINC000012620959 568877254 /nfs/dbraw/zinc/87/72/54/568877254.db2.gz MQTZDCQRQBIZLH-UHFFFAOYSA-N 0 0 401.875 4.653 50 5 HJBARN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000003390040 568894010 /nfs/dbraw/zinc/89/40/10/568894010.db2.gz XLSSLZZUMMAKIC-LLVKDONJSA-N 0 0 415.799 4.726 50 5 HJBARN O=[N+]([O-])c1cc(COc2ccc3cc(Br)ccc3c2)c2c(c1)COCO2 ZINC000003410907 568898134 /nfs/dbraw/zinc/89/81/34/568898134.db2.gz OKDGUWBISQMAMI-UHFFFAOYSA-N 0 0 416.227 4.956 50 5 HJBARN O=c1cc(Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c2c(ccc3ccccc32)o1 ZINC000003440203 568903391 /nfs/dbraw/zinc/90/33/91/568903391.db2.gz OFPLXEFKSWZGQU-UHFFFAOYSA-N 0 0 422.366 4.667 50 5 HJBARN Cc1nc(COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cs1 ZINC000003440218 568903404 /nfs/dbraw/zinc/90/34/04/568903404.db2.gz RPEDBYQVLTUBOP-UHFFFAOYSA-N 0 0 416.842 4.601 50 5 HJBARN CO[C@](F)(C(=O)Nc1cc(Sc2ccccc2)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000003672580 568924622 /nfs/dbraw/zinc/92/46/22/568924622.db2.gz IZSQPMWHWHUZIL-OAHLLOKOSA-N 0 0 404.341 4.559 50 5 HJBARN Cc1ccc2oc(-c3ccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 ZINC000001413965 568929512 /nfs/dbraw/zinc/92/95/12/568929512.db2.gz NSKQSPWCJDNHRH-UHFFFAOYSA-N 0 0 403.394 4.729 50 5 HJBARN Cc1c(CN2C(=O)[C@H](c3ccccc3)N(Cc3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000059017078 568937429 /nfs/dbraw/zinc/93/74/29/568937429.db2.gz LEAMQAODTMCWJI-QFIPXVFZSA-N 0 0 415.449 4.609 50 5 HJBARN Cc1cc(NCC2(c3cccc(F)c3)CCOCC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000084114701 568938658 /nfs/dbraw/zinc/93/86/58/568938658.db2.gz PZEJXYUKEXKIPN-UHFFFAOYSA-N 0 0 422.460 4.660 50 5 HJBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)c1C ZINC000015544519 568947389 /nfs/dbraw/zinc/94/73/89/568947389.db2.gz YWUDFYPZLTVZHA-QGZVFWFLSA-N 0 0 410.495 4.918 50 5 HJBARN Cc1ccc(S[C@@H](C)C(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000004174587 568948489 /nfs/dbraw/zinc/94/84/89/568948489.db2.gz DSLFYXGWCPWXQW-LBPRGKRZSA-N 0 0 400.485 4.541 50 5 HJBARN Cc1ccc(S[C@H](C)C(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000004174590 568948523 /nfs/dbraw/zinc/94/85/23/568948523.db2.gz DSLFYXGWCPWXQW-GFCCVEGCSA-N 0 0 400.485 4.541 50 5 HJBARN O=C(CSc1nc2ccccc2c2nc3ccccc3n21)NCc1cccs1 ZINC000004246545 568953651 /nfs/dbraw/zinc/95/36/51/568953651.db2.gz AGWHAHXJLJSCBG-UHFFFAOYSA-N 0 0 404.520 4.506 50 5 HJBARN COc1cc(C)c(NC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)cc1OC ZINC000008163771 568979336 /nfs/dbraw/zinc/97/93/36/568979336.db2.gz DMHGMOJOTZAWLY-UHFFFAOYSA-N 0 0 413.474 4.553 50 5 HJBARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000012808600 568980627 /nfs/dbraw/zinc/98/06/27/568980627.db2.gz GENGZDZNNUJGDB-UHFFFAOYSA-N 0 0 407.455 4.649 50 5 HJBARN Cc1c(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cccc1[N+](=O)[O-] ZINC000012866922 569012191 /nfs/dbraw/zinc/01/21/91/569012191.db2.gz IDDUFOJZISRPHS-UHFFFAOYSA-N 0 0 417.874 4.773 50 5 HJBARN CCOc1c(Br)cc(F)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000012912512 569021871 /nfs/dbraw/zinc/02/18/71/569021871.db2.gz WPXOOSAFVRFXKN-UHFFFAOYSA-N 0 0 417.618 4.801 50 5 HJBARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1NCc1cccnc1 ZINC000016293700 569030426 /nfs/dbraw/zinc/03/04/26/569030426.db2.gz USJVHICZIGOICQ-UHFFFAOYSA-N 0 0 416.359 4.873 50 5 HJBARN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012980522 569046337 /nfs/dbraw/zinc/04/63/37/569046337.db2.gz LJKIEIZAFSIGTB-UHFFFAOYSA-N 0 0 403.847 4.844 50 5 HJBARN O=C(N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000006444549 569052879 /nfs/dbraw/zinc/05/28/79/569052879.db2.gz DVCJERCOQMMOQB-AWEZNQCLSA-N 0 0 423.083 4.786 50 5 HJBARN O=C(NCc1ccccc1)c1cc2c3ccccc3n3c2c(n1)c1ccccc1c3=O ZINC000006624612 569061171 /nfs/dbraw/zinc/06/11/71/569061171.db2.gz FUSONERYZZHOTR-UHFFFAOYSA-N 0 0 403.441 4.522 50 5 biogenic HJBARN O=C(N=[S@@](=O)(Oc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1)c1ccccc1 ZINC000138083128 569062971 /nfs/dbraw/zinc/06/29/71/569062971.db2.gz VYVNITMEMXPMMF-NDEPHWFRSA-N 0 0 416.842 4.910 50 5 HJBARN O=C(CN1CCC[C@H]1c1nc2ccccc2s1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006602569 569069926 /nfs/dbraw/zinc/06/99/26/569069926.db2.gz HYLZOJGXXGSIHB-HNNXBMFYSA-N 0 0 416.890 4.634 50 5 HJBARN O=[N+]([O-])c1cc(CN2CCCC[C@@H]2c2nc3ccccc3s2)c2c(c1)COCO2 ZINC000016694616 569070554 /nfs/dbraw/zinc/07/05/54/569070554.db2.gz HFOFURCHWPLQCQ-GOSISDBHSA-N 0 0 411.483 4.798 50 5 HJBARN Cc1ccc(COc2ccc(/C=C3\N=C(c4cccc([N+](=O)[O-])c4)OC3=O)cc2)cc1 ZINC000002061023 569072887 /nfs/dbraw/zinc/07/28/87/569072887.db2.gz JZHWHFUUTCDFAE-XKZIYDEJSA-N 0 0 414.417 4.827 50 5 HJBARN CCOc1ccc2nc(S[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 ZINC000006650265 569080528 /nfs/dbraw/zinc/08/05/28/569080528.db2.gz WEJJFVDWVQYMBI-NSHDSACASA-N 0 0 403.485 4.723 50 5 HJBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1Br ZINC000006720211 569098110 /nfs/dbraw/zinc/09/81/10/569098110.db2.gz WVEIVJNKSQZROT-UHFFFAOYSA-N 0 0 407.267 4.556 50 5 HJBARN CCN(CC)c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)c1 ZINC000006720238 569098153 /nfs/dbraw/zinc/09/81/53/569098153.db2.gz FACMGDMTMCDRRJ-UHFFFAOYSA-N 0 0 413.521 4.948 50 5 HJBARN CCc1ccc([C@H]2N[C@@H](c3ccc(CC)cc3)[C@@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])cc1 ZINC000036213190 569112519 /nfs/dbraw/zinc/11/25/19/569112519.db2.gz JTRXAGQKEBNGGS-ZDNVTZCJSA-N 0 0 411.502 4.514 50 5 aggregator HJBARN Cc1cccc(N([C@@H](C)c2ccccc2F)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000036247780 569117109 /nfs/dbraw/zinc/11/71/09/569117109.db2.gz XOZDTWSJMNQPBT-INIZCTEOSA-N 0 0 414.458 4.999 50 5 HJBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 ZINC000036398703 569171688 /nfs/dbraw/zinc/17/16/88/569171688.db2.gz ZKANSBSIKFIJPH-FQEVSTJZSA-N 0 0 413.524 4.612 50 5 HJBARN O=C(c1ccccc1[N+](=O)[O-])N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000036773826 569227874 /nfs/dbraw/zinc/22/78/74/569227874.db2.gz SPCBOCWBTRVPTP-RMKNXTFCSA-N 0 0 416.433 4.726 50 5 HJBARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000239297069 569232324 /nfs/dbraw/zinc/23/23/24/569232324.db2.gz DRONVMYLHJOTNP-GMAHTHKFSA-N 0 0 401.422 4.846 50 5 HJBARN O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1sc2cc(Cl)ccc2c1Cl ZINC000089782931 569264335 /nfs/dbraw/zinc/26/43/35/569264335.db2.gz AFTAZMCTFSZZCT-ZDUSSCGKSA-N 0 0 411.266 4.580 50 5 HJBARN O=C(Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1)Nc1ccc([N+](=O)[O-])cc1 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CCOc1ccc(NC(=S)N2CCn3cccc3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009391151 571254524 /nfs/dbraw/zinc/25/45/24/571254524.db2.gz ZFSQGGFAWFBRSJ-OAQYLSRUSA-N 0 0 422.510 4.597 50 5 HJBARN Cc1ccc(Cl)c(NC(=O)COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1Cl ZINC000009397805 571254762 /nfs/dbraw/zinc/25/47/62/571254762.db2.gz INIWBMOJXZLGFH-UHFFFAOYSA-N 0 0 417.632 4.659 50 5 HJBARN C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000009508358 571263954 /nfs/dbraw/zinc/26/39/54/571263954.db2.gz DFZHVESBDQFBGZ-CQSZACIVSA-N 0 0 423.856 4.992 50 5 HJBARN Cc1ccc2nc(-c3ccc(NC(=O)COc4cccnc4[N+](=O)[O-])cc3)sc2c1 ZINC000009714442 571281514 /nfs/dbraw/zinc/28/15/14/571281514.db2.gz UOYXCRFRDZUWQU-UHFFFAOYSA-N 0 0 420.450 4.592 50 5 HJBARN Cc1cccc(OCCn2c3ccccc3nc2NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000004547304 571308845 /nfs/dbraw/zinc/30/88/45/571308845.db2.gz QHJPKCPDJLJAJI-UHFFFAOYSA-N 0 0 416.437 4.584 50 5 HJBARN CC1CCN(c2ccccc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000004821325 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560569817 /nfs/dbraw/zinc/56/98/17/560569817.db2.gz HOICZEVEXTYDPA-UHFFFAOYSA-N 0 0 413.864 4.558 50 5 HJBARN Cc1cccc(C)c1NC(=O)COc1cc(O)c2c(c1)oc1c(C)cccc1c2=O ZINC000005422889 560585354 /nfs/dbraw/zinc/58/53/54/560585354.db2.gz GXDBOFXVNLAUNX-UHFFFAOYSA-N 0 0 403.434 4.595 50 5 HJBARN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 ZINC000005428684 560586153 /nfs/dbraw/zinc/58/61/53/560586153.db2.gz HSTFNKMRUYKNST-UHFFFAOYSA-N 0 0 406.442 4.620 50 5 HJBARN Cc1ccc(-c2noc(CN(C(=O)c3cccc([N+](=O)[O-])c3)C3CCCCC3)n2)cc1 ZINC000005428641 560586193 /nfs/dbraw/zinc/58/61/93/560586193.db2.gz GCWLPTLYVHAPJA-UHFFFAOYSA-N 0 0 420.469 4.928 50 5 HJBARN CC[C@@H]1CCc2c(sc(NC(=O)c3cccc([N+](=O)[O-])c3C)c2C(=O)OC)C1 ZINC000005476662 560594474 /nfs/dbraw/zinc/59/44/74/560594474.db2.gz XWDLQBZGNJXYEW-GFCCVEGCSA-N 0 0 402.472 4.519 50 5 HJBARN CCCCn1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)c2cc3cc(C)ccc3nc21 ZINC000005518059 560604573 /nfs/dbraw/zinc/60/45/73/560604573.db2.gz 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COc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3o2)cc1 ZINC000000824711 568499055 /nfs/dbraw/zinc/49/90/55/568499055.db2.gz CMAKZOWJWFCVHV-UHFFFAOYSA-N 0 0 403.394 4.972 50 5 HJBARN O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000000829679 568500338 /nfs/dbraw/zinc/50/03/38/568500338.db2.gz LDWSPYIWKYDVPQ-BKUYFWCQSA-N 0 0 400.390 4.518 50 5 HJBARN C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc3oc4ccccc4c(=O)c3c2)c1 ZINC000095457280 568618390 /nfs/dbraw/zinc/61/83/90/568618390.db2.gz SXEBYZXOPSUIFJ-IFXJQAMLSA-N 0 0 412.445 4.793 50 5 HJBARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000020808383 568644231 /nfs/dbraw/zinc/64/42/31/568644231.db2.gz RXCRHZPYZPKZOW-UHFFFAOYSA-N 0 0 403.394 4.972 50 5 HJBARN CN(C(=O)COc1ccc(Cl)cc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000025029751 568730639 /nfs/dbraw/zinc/73/06/39/568730639.db2.gz NKMPOBNCUPENMQ-UHFFFAOYSA-N 0 0 410.857 4.875 50 5 HJBARN CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000944905 568752897 /nfs/dbraw/zinc/75/28/97/568752897.db2.gz BXEGGGVNNKQERV-UHFFFAOYSA-N 0 0 407.264 4.672 50 5 HJBARN Cc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(-n2nc3ccccc3n2)c1 ZINC000000990771 568759847 /nfs/dbraw/zinc/75/98/47/568759847.db2.gz WFAMIVSAMUPPCW-UHFFFAOYSA-N 0 0 408.801 4.510 50 5 HJBARN Cc1ccc(NC(=O)Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c2C(F)(F)F)cc1F ZINC000001027122 568763625 /nfs/dbraw/zinc/76/36/25/568763625.db2.gz FWURIVGMZILAGM-UHFFFAOYSA-N 0 0 423.326 4.891 50 5 HJBARN Cc1ccc(NC(=O)c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)sc3c2CCC3)cc1 ZINC000001081039 568767872 /nfs/dbraw/zinc/76/78/72/568767872.db2.gz LDLYFGJOPFGBLM-UHFFFAOYSA-N 0 0 421.478 4.958 50 5 HJBARN COc1cc(C2SCCS2)cc([N+](=O)[O-])c1OC(=O)c1ccccc1Cl ZINC000001107878 568770286 /nfs/dbraw/zinc/77/02/86/568770286.db2.gz JFEAKADAXLNXAZ-UHFFFAOYSA-N 0 0 411.888 4.955 50 5 HJBARN O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000001127734 568771152 /nfs/dbraw/zinc/77/11/52/568771152.db2.gz YOWVFSRMIYYBJD-UHFFFAOYSA-N 0 0 413.792 4.892 50 5 HJBARN COc1cccc([C@@H]2CCCN2C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000025467897 568771732 /nfs/dbraw/zinc/77/17/32/568771732.db2.gz PSKLWLXTMQZBOE-FQEVSTJZSA-N 0 0 409.486 4.571 50 5 HJBARN Cc1c(C(=O)OCC(=O)c2ccc(OCc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000001147546 568772548 /nfs/dbraw/zinc/77/25/48/568772548.db2.gz HFIQXIYNXBMNSB-UHFFFAOYSA-N 0 0 405.406 4.522 50 5 HJBARN CC(C)(C)c1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccn2)cc1 ZINC000028287222 568783935 /nfs/dbraw/zinc/78/39/35/568783935.db2.gz QRJHCFXXQQXUDQ-UHFFFAOYSA-N 0 0 419.481 4.900 50 5 HJBARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000002628662 568787417 /nfs/dbraw/zinc/78/74/17/568787417.db2.gz CYDWLKVTGXGMNZ-UHFFFAOYSA-N 0 0 416.412 4.517 50 5 HJBARN CCC[C@@H]1CCc2c(sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2C(N)=O)C1 ZINC000002744471 568805844 /nfs/dbraw/zinc/80/58/44/568805844.db2.gz AQQYAQZGKJBQMO-SNVBAGLBSA-N 0 0 421.906 4.566 50 5 HJBARN CCCCOc1cccc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)c1 ZINC000002844625 568812843 /nfs/dbraw/zinc/81/28/43/568812843.db2.gz GTCDZQUDDVXFFG-WOJGMQOQSA-N 0 0 400.818 4.772 50 5 HJBARN CCCCc1ccc(-n2nc3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3n2)cc1 ZINC000002938222 568818340 /nfs/dbraw/zinc/81/83/40/568818340.db2.gz NLLQHTBBUVHLMS-UHFFFAOYSA-N 0 0 415.453 4.924 50 5 HJBARN O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000001170912 568821168 /nfs/dbraw/zinc/82/11/68/568821168.db2.gz JVASCLBAPRLATK-UHFFFAOYSA-N 0 0 412.401 4.850 50 5 HJBARN O=C1OC(c2cccs2)=N/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000001193140 568822836 /nfs/dbraw/zinc/82/28/36/568822836.db2.gz ICPMYSMXPOVUGZ-PDGQHHTCSA-N 0 0 406.419 4.580 50 5 HJBARN CCC[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2C(N)=O)C1 ZINC000001201025 568823216 /nfs/dbraw/zinc/82/32/16/568823216.db2.gz XLUANCUFMVYAGM-SNVBAGLBSA-N 0 0 421.906 4.566 50 5 HJBARN Cc1ccc(/N=c2\oc3ccc([N+](=O)[O-])cc3cc2C(=O)Nc2nccs2)cc1 ZINC000002951483 568829121 /nfs/dbraw/zinc/82/91/21/568829121.db2.gz VQWBZJBBKNNAMZ-QOCHGBHMSA-N 0 0 406.423 4.591 50 5 HJBARN CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc(C(C)(C)C)cc1 ZINC000005929872 568829969 /nfs/dbraw/zinc/82/99/69/568829969.db2.gz VMTXGVWQUUQZCW-UHFFFAOYSA-N 0 0 412.486 4.778 50 5 HJBARN CC[C@@H](C)[C@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O ZINC000002964571 568830744 /nfs/dbraw/zinc/83/07/44/568830744.db2.gz VFFCPRDDNNZHQP-FZKQIMNGSA-N 0 0 408.483 4.533 50 5 HJBARN C/C=C/c1ccc(OCCOCCOc2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 ZINC000002986837 568833132 /nfs/dbraw/zinc/83/31/32/568833132.db2.gz XPPOUFCMZFPZAC-ONEGZZNKSA-N 0 0 407.850 4.764 50 5 HJBARN Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C)n1CCC(C)C ZINC000003348441 568856348 /nfs/dbraw/zinc/85/63/48/568856348.db2.gz OBCIDBJUDJQUMS-UHFFFAOYSA-N 0 0 406.866 4.752 50 5 HJBARN Cc1c(C(=O)CSc2ccccn2)c(C)c([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-] ZINC000003131731 568857445 /nfs/dbraw/zinc/85/74/45/568857445.db2.gz DTIPKLWZGDKXDT-UHFFFAOYSA-N 0 0 403.460 4.787 50 5 HJBARN Cc1ccnc(-n2c(=O)c3ccccc3nc2SCc2cccc([N+](=O)[O-])c2C)c1 ZINC000057854208 568863403 /nfs/dbraw/zinc/86/34/03/568863403.db2.gz XCOYLYROUBCYLH-UHFFFAOYSA-N 0 0 418.478 4.598 50 5 HJBARN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000003390037 568893954 /nfs/dbraw/zinc/89/39/54/568893954.db2.gz XLSSLZZUMMAKIC-NSHDSACASA-N 0 0 415.799 4.726 50 5 HJBARN COc1ccccc1-n1c(=O)c2ccccc2nc1SCc1cccc([N+](=O)[O-])c1 ZINC000003448628 568905119 /nfs/dbraw/zinc/90/51/19/568905119.db2.gz MWSWCLBLEADAAF-UHFFFAOYSA-N 0 0 419.462 4.595 50 5 HJBARN O=c1c2ccccc2nc(SCc2cccc([N+](=O)[O-])c2)n1Cc1ccc(F)cc1 ZINC000003537347 568913615 /nfs/dbraw/zinc/91/36/15/568913615.db2.gz BWBSNVTWEXNFBH-UHFFFAOYSA-N 0 0 421.453 4.784 50 5 HJBARN O=[N+]([O-])c1cccc(C2=Nn3c(nnc3-c3ccc(Cl)cc3Cl)SC2)c1 ZINC000001315543 568913713 /nfs/dbraw/zinc/91/37/13/568913713.db2.gz JEKCAPWXJQDJPD-UHFFFAOYSA-N 0 0 406.254 4.518 50 5 HJBARN Cc1c(C(=O)Nc2cc(Cl)ccc2Sc2nccn2C)cccc1[N+](=O)[O-] ZINC000058416995 568916833 /nfs/dbraw/zinc/91/68/33/568916833.db2.gz DRYIKTTUNATVRN-UHFFFAOYSA-N 0 0 402.863 4.694 50 5 HJBARN CC(=O)c1ccc(Sc2nnc3c4ccccc4n(C(C)C)c3n2)c([N+](=O)[O-])c1 ZINC000001428580 568939586 /nfs/dbraw/zinc/93/95/86/568939586.db2.gz GNKXBLAXENRKJS-UHFFFAOYSA-N 0 0 407.455 4.822 50 5 HJBARN Cc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000004273148 568957676 /nfs/dbraw/zinc/95/76/76/568957676.db2.gz FACDOPXFWWYJAE-UHFFFAOYSA-N 0 0 404.451 4.755 50 5 HJBARN COc1ccc([C@H]2CC(=O)c3ccccc3O2)cc1COc1ccc([N+](=O)[O-])cc1 ZINC000004311701 568960876 /nfs/dbraw/zinc/96/08/76/568960876.db2.gz BIZHLMFLTLAVTB-HSZRJFAPSA-N 0 0 405.406 4.889 50 5 HJBARN Cc1oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2c(=O)c1-c1ccccc1 ZINC000001447965 568985207 /nfs/dbraw/zinc/98/52/07/568985207.db2.gz NCSUWKFDKRYVJQ-UHFFFAOYSA-N 0 0 401.374 4.896 50 5 HJBARN Cc1cccc(C(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1[N+](=O)[O-] ZINC000012816816 568989985 /nfs/dbraw/zinc/98/99/85/568989985.db2.gz MCWWEJOXBILJFP-KRWDZBQOSA-N 0 0 417.465 4.989 50 5 HJBARN Cc1noc([C@@H](C)Sc2nc(-c3cccc([N+](=O)[O-])c3)cn2-c2ccccc2)n1 ZINC000026086240 569007626 /nfs/dbraw/zinc/00/76/26/569007626.db2.gz WMMPRNXBCILXDC-CYBMUJFWSA-N 0 0 407.455 4.992 50 5 HJBARN COc1ccc(CN(C)c2ccc(-c3nc(-c4ccco4)no3)cc2[N+](=O)[O-])cc1 ZINC000015833911 569012774 /nfs/dbraw/zinc/01/27/74/569012774.db2.gz ZGMYPUZFQRFVPQ-UHFFFAOYSA-N 0 0 406.398 4.550 50 5 HJBARN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000016286132 569030366 /nfs/dbraw/zinc/03/03/66/569030366.db2.gz FGEIEHPQNIQPJU-TXEJJXNPSA-N 0 0 409.269 4.746 50 5 HJBARN O=C(NCCc1ccccc1)c1cc2c3ccccc3n3c2c(n1)c1ccccc1c3=O ZINC000006624304 569061086 /nfs/dbraw/zinc/06/10/86/569061086.db2.gz UBLXQEKXZYMNNJ-UHFFFAOYSA-N 0 0 417.468 4.564 50 5 biogenic HJBARN COc1ccc(OCC(=O)Nc2ccc3c(c2)oc2c(Cl)cccc2c3=O)cc1 ZINC000006660733 569084834 /nfs/dbraw/zinc/08/48/34/569084834.db2.gz REZQGBITLVUKFT-UHFFFAOYSA-N 0 0 409.825 4.626 50 5 HJBARN Cc1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000036247075 569116894 /nfs/dbraw/zinc/11/68/94/569116894.db2.gz TUUXMFUXMOHBBW-UHFFFAOYSA-N 0 0 416.886 4.952 50 5 HJBARN O=C(N[C@@H]1CCSc2c(F)cccc21)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000064898071 569118448 /nfs/dbraw/zinc/11/84/48/569118448.db2.gz LPTFBMJCYZRRCX-OAHLLOKOSA-N 0 0 415.471 4.824 50 5 HJBARN O=C(C[C@H](c1c[nH]c2ccccc21)c1cccc([N+](=O)[O-])c1)NCCc1ccccc1 ZINC000006839019 569150115 /nfs/dbraw/zinc/15/01/15/569150115.db2.gz BFIJCQBOLMQBOG-QFIPXVFZSA-N 0 0 413.477 4.957 50 5 HJBARN COc1ccc(C2=NN3[C@@H](C2)c2cc([N+](=O)[O-])ccc2O[C@H]3c2ccccc2)cc1 ZINC000239415277 569233772 /nfs/dbraw/zinc/23/37/72/569233772.db2.gz UCOVRFHFHHQFHH-GMAHTHKFSA-N 0 0 401.422 4.846 50 5 HJBARN O=c1c(Cl)c(N2CCC[C@@H](c3ccccc3)CC2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000170620640 569248830 /nfs/dbraw/zinc/24/88/30/569248830.db2.gz WTXWLZZRWRRXMY-QGZVFWFLSA-N 0 0 424.888 4.568 50 5 HJBARN C[C@@H](Sc1nc2ccccc2c2nc3ccccc3n21)C(=O)NCc1cccs1 ZINC000016822020 569263639 /nfs/dbraw/zinc/26/36/39/569263639.db2.gz FRAWVFUKKQQHJJ-CQSZACIVSA-N 0 0 418.547 4.894 50 5 HJBARN Cc1ccc(CSc2nnc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000014696188 569267680 /nfs/dbraw/zinc/26/76/80/569267680.db2.gz OOPGUYBSGXCJCE-ZHACJKMWSA-N 0 0 412.496 4.699 50 5 HJBARN CC(C)n1c(SCn2cc([N+](=O)[O-])cn2)nnc1-c1csc2c1CC[C@H](C)C2 ZINC000017091504 569273864 /nfs/dbraw/zinc/27/38/64/569273864.db2.gz NUZHGRSAXIMWGM-LBPRGKRZSA-N 0 0 418.548 4.567 50 5 HJBARN COc1ccc(OC)c(N2COc3c(C)c4oc(=O)c5ccccc5c4cc3C2)c1 ZINC000002117517 569284707 /nfs/dbraw/zinc/28/47/07/569284707.db2.gz PUNLUTROCTVEAZ-UHFFFAOYSA-N 0 0 403.434 4.628 50 5 biogenic HJBARN CC(=O)c1ccc(-n2c3nc4ccccc4nc3nc2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000002212217 569307627 /nfs/dbraw/zinc/30/76/27/569307627.db2.gz IPNBGQRARXDOGL-UHFFFAOYSA-N 0 0 409.405 4.747 50 5 HJBARN CCCCn1c(=O)nc2n(-c3ccc(Cl)cc3)c3cccc(Cl)c3cc-2c1=O ZINC000002263181 569325472 /nfs/dbraw/zinc/32/54/72/569325472.db2.gz MDDOPHZMOHTSOL-UHFFFAOYSA-N 0 0 414.292 4.759 50 5 HJBARN Cc1nc2c(c3nc4ccccc4nc3n2-c2ccc(Cl)cc2)c(=O)n1CC(C)C ZINC000002256699 569326383 /nfs/dbraw/zinc/32/63/83/569326383.db2.gz JYZIXTVVVWQGKN-UHFFFAOYSA-N 0 0 417.900 4.901 50 5 HJBARN Cc1cc(C)cc(-n2c3nc4ccccc4nc3c3c2ncn(Cc2ccco2)c3=O)c1 ZINC000002300922 569372237 /nfs/dbraw/zinc/37/22/37/569372237.db2.gz WVPRSTHRDNIUBW-UHFFFAOYSA-N 0 0 421.460 4.542 50 5 HJBARN COCCn1c(=O)c2c(=O)c3ccccc3sc2nc1-c1ccc(C(C)(C)C)cc1 ZINC000002330460 569375825 /nfs/dbraw/zinc/37/58/25/569375825.db2.gz YTJBJAARHMRDPN-UHFFFAOYSA-N 0 0 420.534 4.582 50 5 HJBARN O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000253536115 569382981 /nfs/dbraw/zinc/38/29/81/569382981.db2.gz CGWBZCHRRDRWFX-UHFFFAOYSA-N 0 0 420.812 4.816 50 5 HJBARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000009698622 569393859 /nfs/dbraw/zinc/39/38/59/569393859.db2.gz MZBRWYNIYSVYAQ-UHFFFAOYSA-N 0 0 423.856 4.739 50 5 HJBARN CC(C)c1ccc(CN(Cc2ccco2)C(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000012062763 569399517 /nfs/dbraw/zinc/39/95/17/569399517.db2.gz FNLAGLXCBFZIOY-UHFFFAOYSA-N 0 0 408.454 4.919 50 5 HJBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000008586739 571083058 /nfs/dbraw/zinc/08/30/58/571083058.db2.gz KDKKLPZQHGQHRV-UHFFFAOYSA-N 0 0 405.435 4.889 50 5 HJBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000008616853 571094470 /nfs/dbraw/zinc/09/44/70/571094470.db2.gz XBVHDRFDPMYMGI-UHFFFAOYSA-N 0 0 410.230 4.980 50 5 HJBARN Cc1noc(/C=C/c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)c1[N+](=O)[O-] ZINC000008744522 571110716 /nfs/dbraw/zinc/11/07/16/571110716.db2.gz PLGBSTJHJBWYDJ-IZZDOVSWSA-N 0 0 420.400 4.794 50 5 HJBARN COc1cccc(C2=NN(C(=O)c3cccs3)[C@H](c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000008941092 571168543 /nfs/dbraw/zinc/16/85/43/571168543.db2.gz HYQFMXDZZOBGDM-IBGZPJMESA-N 0 0 407.451 4.656 50 5 HJBARN C[C@H](c1cccc(C(F)(F)F)c1)N(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000040155786 571202926 /nfs/dbraw/zinc/20/29/26/571202926.db2.gz YRINFYMKAQIJHD-GFCCVEGCSA-N 0 0 414.405 4.528 50 5 HJBARN Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000009019464 571211895 /nfs/dbraw/zinc/21/18/95/571211895.db2.gz DNBPIPULVWMDBZ-UHFFFAOYSA-N 0 0 413.433 4.592 50 5 HJBARN CCN(Cc1ccccc1)c1ccc(N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)cc1[N+](=O)[O-] ZINC000245343484 571226168 /nfs/dbraw/zinc/22/61/68/571226168.db2.gz PVBKAVQLPVVWKM-PWIZWCRZSA-N 0 0 421.497 4.547 50 5 HJBARN CCN(Cc1ccccc1)c1ccc(N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)cc1[N+](=O)[O-] ZINC000245343483 571226188 /nfs/dbraw/zinc/22/61/88/571226188.db2.gz PVBKAVQLPVVWKM-NSISKUIASA-N 0 0 421.497 4.547 50 5 HJBARN O=c1[nH]n(C2CCCCCC2)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)SCC(=O)N2 ZINC000009360036 571251474 /nfs/dbraw/zinc/25/14/74/571251474.db2.gz FYYRYQFAXPLEKI-QGZVFWFLSA-N 0 0 402.476 4.816 50 5 HJBARN O=C(Nc1cccc(F)c1)c1oc2ccccc2c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000009413933 571256105 /nfs/dbraw/zinc/25/61/05/571256105.db2.gz GGBCHSUWBGHFQI-UHFFFAOYSA-N 0 0 419.368 4.985 50 5 HJBARN Cc1ccc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)cc1[N+](=O)[O-] ZINC000009425499 571257643 /nfs/dbraw/zinc/25/76/43/571257643.db2.gz IMUQAGCFRNZTAI-UHFFFAOYSA-N 0 0 421.844 4.851 50 5 HJBARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)cc12 ZINC000009588819 571271605 /nfs/dbraw/zinc/27/16/05/571271605.db2.gz YNJITCPIJORVGY-UHFFFAOYSA-N 0 0 414.393 4.834 50 5 HJBARN Cc1ccc(OCC(=O)c2c3ccccc3n(C)c2-c2ccccc2)c([N+](=O)[O-])n1 ZINC000009630672 571274660 /nfs/dbraw/zinc/27/46/60/571274660.db2.gz JDNTWAQXMYLPES-UHFFFAOYSA-N 0 0 401.422 4.719 50 5 HJBARN O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000004703610 132284052 /nfs/dbraw/zinc/28/40/52/132284052.db2.gz NFTZIAIGTGAMRD-UHFFFAOYSA-N 0 0 417.937 4.503 50 5 HJBARN O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000009355132 132338924 /nfs/dbraw/zinc/33/89/24/132338924.db2.gz ITJOYPLXBPQXDN-UHFFFAOYSA-N 0 0 421.884 4.878 50 5 HJBARN C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1Cl ZINC000012511641 132361147 /nfs/dbraw/zinc/36/11/47/132361147.db2.gz PZYDZNCVEOPONI-CYBMUJFWSA-N 0 0 422.312 4.995 50 5 HJBARN C[C@@H](c1ccc2c(c1)Cc1ccccc1-2)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000030835698 526063778 /nfs/dbraw/zinc/06/37/78/526063778.db2.gz HRFLHXWXJJMLHF-HNNXBMFYSA-N 0 0 408.479 4.548 50 5 HJBARN O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)N1CCCCC1 ZINC000044086063 527068443 /nfs/dbraw/zinc/06/84/43/527068443.db2.gz WBTOYLWSUZFWBR-UHFFFAOYSA-N 0 0 422.510 4.552 50 5 HJBARN C[C@H]1CCc2c(sc3nc4c5ccccc5c(NCc5ccco5)nn4c(=O)c23)C1 ZINC000000628621 557024502 /nfs/dbraw/zinc/02/45/02/557024502.db2.gz AHTKGASRKOYSIN-ZDUSSCGKSA-N 0 0 416.506 4.787 50 5 HJBARN COCCCn1c(=O)c2c(=O)c3ccccc3oc2nc1-c1ccc(C(C)(C)C)cc1 ZINC000002340529 557698591 /nfs/dbraw/zinc/69/85/91/557698591.db2.gz PJZJBSNCHPDDSS-UHFFFAOYSA-N 0 0 418.493 4.504 50 5 HJBARN CCCCn1c(=O)c2c(=O)c3cc(Cl)ccc3oc2nc1-c1ccc(OC)cc1 ZINC000002443775 557711927 /nfs/dbraw/zinc/71/19/27/557711927.db2.gz PWYQHDCXEPLRFQ-UHFFFAOYSA-N 0 0 410.857 4.632 50 5 HJBARN C[C@@]1(OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]2C=C[C@@H]1c1c(F)c(F)c(F)c(F)c12 ZINC000004350404 558424539 /nfs/dbraw/zinc/42/45/39/558424539.db2.gz VPKZZSFJSAQQRN-NLUKRNMASA-N 0 0 407.319 4.908 50 5 HJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000016195954 558778161 /nfs/dbraw/zinc/77/81/61/558778161.db2.gz OWKXTYVCOJAXQV-UHFFFAOYSA-N 0 0 416.389 4.629 50 5 HJBARN Cc1ccc(N(Cc2ccccc2C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000036247367 558798597 /nfs/dbraw/zinc/79/85/97/558798597.db2.gz KGXNZDJEMIVLLY-UHFFFAOYSA-N 0 0 414.458 4.746 50 5 HJBARN Cc1cc(C(F)F)nn1[C@@H](C)c1nc2c3sc4nc(C)cc(C)c4c3ncn2n1 ZINC000017089526 558818165 /nfs/dbraw/zinc/81/81/65/558818165.db2.gz YJDALTBIRXIWGB-NSHDSACASA-N 0 0 413.457 4.556 50 5 HJBARN C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000013548579 558842789 /nfs/dbraw/zinc/84/27/89/558842789.db2.gz XUPNLKDYUUFSPL-CALCHBBNSA-N 0 0 417.465 4.577 50 5 HJBARN CCOc1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1 ZINC000004659481 558868338 /nfs/dbraw/zinc/86/83/38/558868338.db2.gz RWTTYDFGOVLLJQ-XNTDXEJSSA-N 0 0 413.433 4.863 50 5 HJBARN CC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1cccc([N+](=O)[O-])c1 ZINC000096483837 558958329 /nfs/dbraw/zinc/95/83/29/558958329.db2.gz WEGHDQDWHYVHBX-ATVHPVEESA-N 0 0 416.433 4.766 50 5 HJBARN COc1ccc(-c2nc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])sc2C)cc1 ZINC000022065768 558986358 /nfs/dbraw/zinc/98/63/58/558986358.db2.gz VGAPNWHEMYOAKB-UHFFFAOYSA-N 0 0 403.847 4.941 50 5 HJBARN CCCCCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1nc(C)c(C(=O)OCC)s1 ZINC000011232725 558987424 /nfs/dbraw/zinc/98/74/24/558987424.db2.gz FKDRAECNCOZXHV-UHFFFAOYSA-N 0 0 419.503 4.682 50 5 HJBARN COc1ccccc1-c1cc(COC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)on1 ZINC000023074496 558998842 /nfs/dbraw/zinc/99/88/42/558998842.db2.gz FECYYNQFSYGATH-VQHVLOKHSA-N 0 0 414.801 4.668 50 5 HJBARN COc1ccccc1-c1cc(COC(=O)/C=C\c2ccc(Cl)c([N+](=O)[O-])c2)on1 ZINC000098002310 559016462 /nfs/dbraw/zinc/01/64/62/559016462.db2.gz FECYYNQFSYGATH-CLFYSBASSA-N 0 0 414.801 4.668 50 5 HJBARN COC(=O)c1c(C)n(CCCNc2ccc([N+](=O)[O-])cc2Cl)c2ccc(O)cc21 ZINC000004757947 559048792 /nfs/dbraw/zinc/04/87/92/559048792.db2.gz QGZDEHNPKGXPEZ-UHFFFAOYSA-N 0 0 417.849 4.506 50 5 HJBARN O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000011523992 559087325 /nfs/dbraw/zinc/08/73/25/559087325.db2.gz YZDMXUYFHDQJAM-UHFFFAOYSA-N 0 0 402.863 4.710 50 5 HJBARN Cc1ccc([N+](=O)[O-])c(NC(=O)CNc2cc(Cl)ccc2N2CCCC2)c1C ZINC000011620935 559115604 /nfs/dbraw/zinc/11/56/04/559115604.db2.gz HVHSOQYNYOSHRH-UHFFFAOYSA-N 0 0 402.882 4.516 50 5 HJBARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000004820989 559124280 /nfs/dbraw/zinc/12/42/80/559124280.db2.gz BOQWGIDUPSEOBO-QGZVFWFLSA-N 0 0 417.465 4.598 50 5 HJBARN O=C(Oc1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000004846123 559169175 /nfs/dbraw/zinc/16/91/75/559169175.db2.gz JXDNUNVSTWVOEW-UHFFFAOYSA-N 0 0 405.248 4.567 50 5 HJBARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004854180 559191813 /nfs/dbraw/zinc/19/18/13/559191813.db2.gz DRONVMYLHJOTNP-JTHBVZDNSA-N 0 0 401.422 4.846 50 5 HJBARN O=[N+]([O-])c1ccc2nc(NCCCNc3ccc([N+](=O)[O-])cc3Cl)sc2c1 ZINC000004899041 559199076 /nfs/dbraw/zinc/19/90/76/559199076.db2.gz YMPTXGOJTHREPA-UHFFFAOYSA-N 0 0 407.839 4.680 50 5 HJBARN CCOC(=O)c1c(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)sc2c1CC[C@@H](C)C2 ZINC000033616879 559221631 /nfs/dbraw/zinc/22/16/31/559221631.db2.gz FHDZGUTZVWIDQR-CHOZFAJLSA-N 0 0 414.483 4.610 50 5 HJBARN COC(=O)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@@H]32)cc1 ZINC000005064992 559239344 /nfs/dbraw/zinc/23/93/44/559239344.db2.gz DPPVYLGWQXIIRM-WWNPGLIZSA-N 0 0 400.434 4.852 50 5 HJBARN O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005064545 559239355 /nfs/dbraw/zinc/23/93/55/559239355.db2.gz RQCXOSOCUNYYJK-UHFFFAOYSA-N 0 0 407.923 4.668 50 5 HJBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2O[C@@H](C)C(=O)N(C)Cc2ccccc2)cc1 ZINC000005143216 559251475 /nfs/dbraw/zinc/25/14/75/559251475.db2.gz KXXBEJDGINBTMZ-KRWDZBQOSA-N 0 0 420.465 4.696 50 5 HJBARN O=C(Nc1ccc(C(=O)Nc2cccc3ccccc32)cc1)c1ccc([N+](=O)[O-])o1 ZINC000005173433 559288299 /nfs/dbraw/zinc/28/82/99/559288299.db2.gz CXCDFBIUIHZUFW-UHFFFAOYSA-N 0 0 401.378 4.846 50 5 HJBARN O=C1c2ccc(C34CC5CC(CC(C5)C3)C4)cc2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000005205332 560539157 /nfs/dbraw/zinc/53/91/57/560539157.db2.gz BCYCBLLFCHPGBN-UHFFFAOYSA-N 0 0 402.450 4.863 50 5 HJBARN O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1cc2ccccc2nc1Cl ZINC000005447028 560589023 /nfs/dbraw/zinc/58/90/23/560589023.db2.gz CZJHXHBGVMZERJ-UHFFFAOYSA-N 0 0 406.623 4.811 50 5 HJBARN CCOC(=O)c1c(-c2ccco2)csc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000659800 568457728 /nfs/dbraw/zinc/45/77/28/568457728.db2.gz RTPKFJRRLWKZNN-UHFFFAOYSA-N 0 0 420.830 4.999 50 5 HJBARN CCSc1nnc2c(n1)O[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1-2 ZINC000000688783 568461368 /nfs/dbraw/zinc/46/13/68/568461368.db2.gz CVPBXSWNKJGGTK-INIZCTEOSA-N 0 0 415.862 4.715 50 5 HJBARN COC(=O)c1c(-c2cccc(C)c2)csc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000000696020 568462330 /nfs/dbraw/zinc/46/23/30/568462330.db2.gz FQUCMQQOLJUVHI-UHFFFAOYSA-N 0 0 410.451 4.600 50 5 HJBARN O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000000848283 568553265 /nfs/dbraw/zinc/55/32/65/568553265.db2.gz LTFVPJHDFIZISS-UHFFFAOYSA-N 0 0 407.373 4.913 50 5 HJBARN O=C(c1cc(N[C@@H]2CCCC[C@H]2OC2CCCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000095444759 568611595 /nfs/dbraw/zinc/61/15/95/568611595.db2.gz DTNPJAWCWQOXGV-TZIWHRDSSA-N 0 0 401.507 4.513 50 5 HJBARN CC[C@H](C)[C@H](NC(=O)c1ccccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000096277808 568716172 /nfs/dbraw/zinc/71/61/72/568716172.db2.gz WLZCJDLMVGXNPQ-SJCJKPOMSA-N 0 0 414.849 4.815 50 5 HJBARN Cc1ccc([C@@H](CC(=O)NCc2ccco2)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000096293941 568721889 /nfs/dbraw/zinc/72/18/89/568721889.db2.gz DFDMXPZRFWQKLP-LJQANCHMSA-N 0 0 403.438 4.816 50 5 HJBARN O=[N+]([O-])c1ccc(-c2nc3ccccc3c(Nc3ccc4c(c3)OCCO4)n2)cc1 ZINC000000949091 568752892 /nfs/dbraw/zinc/75/28/92/568752892.db2.gz OLLKQDHIILBJCK-UHFFFAOYSA-N 0 0 400.394 4.720 50 5 HJBARN O=C(Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F)Nc1ccc(F)cc1 ZINC000001027121 568763624 /nfs/dbraw/zinc/76/36/24/568763624.db2.gz VDZIZRJBJDWWEK-UHFFFAOYSA-N 0 0 409.299 4.582 50 5 HJBARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001113431 568770550 /nfs/dbraw/zinc/77/05/50/568770550.db2.gz DHTQLROJONHZIG-UHFFFAOYSA-N 0 0 414.414 4.891 50 5 HJBARN O=C(OCc1cccc(C(=O)Oc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000001124372 568771440 /nfs/dbraw/zinc/77/14/40/568771440.db2.gz 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Cc1ccc(-n2nc3c(c2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CSC3)cc1 ZINC000002483554 568774997 /nfs/dbraw/zinc/77/49/97/568774997.db2.gz PGAWQKLLMFKKHU-UHFFFAOYSA-N 0 0 414.874 4.741 50 5 HJBARN CC(C)(C)c1ccc(CN(C(=O)COc2cccc([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000028290686 568783885 /nfs/dbraw/zinc/78/38/85/568783885.db2.gz WJZZIZUREVDRPH-UHFFFAOYSA-N 0 0 419.481 4.900 50 5 HJBARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3[N+](=O)[O-])c2C(N)=O)C1 ZINC000002737394 568804683 /nfs/dbraw/zinc/80/46/83/568804683.db2.gz AHWBGNKFVPOBMC-GFCCVEGCSA-N 0 0 415.515 4.549 50 5 HJBARN O=[N+]([O-])c1cnn(Cn2nc(-c3ccc(F)cc3)c(Cl)c2-c2ccc(F)cc2)c1 ZINC000002733250 568805108 /nfs/dbraw/zinc/80/51/08/568805108.db2.gz SOMCYQXMVBHBGY-UHFFFAOYSA-N 0 0 415.787 4.759 50 5 HJBARN Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000002779391 568807977 /nfs/dbraw/zinc/80/79/77/568807977.db2.gz ARAYTYXGRUJKDD-UHFFFAOYSA-N 0 0 405.241 4.707 50 5 HJBARN Cc1cccc(-c2nc3cc(NC(=O)COc4ccccc4[N+](=O)[O-])ccc3o2)c1 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CC[C@@H](C)n1cnc2c(c3nc4ccccc4nc3n2Cc2ccccc2Cl)c1=O ZINC000002411389 569396870 /nfs/dbraw/zinc/39/68/70/569396870.db2.gz UIYNSNZTJKAXLB-CQSZACIVSA-N 0 0 417.900 4.967 50 5 HJBARN CCCCCCn1cnc2c(c3nc4ccccc4nc3n2Cc2ccco2)c1=O ZINC000002420986 569398090 /nfs/dbraw/zinc/39/80/90/569398090.db2.gz AJMUYVNXOWKODN-UHFFFAOYSA-N 0 0 401.470 4.516 50 5 HJBARN O=C(CSc1nccn1-c1ccc([N+](=O)[O-])cc1)Nc1cccc(C(F)(F)F)c1 ZINC000013284049 569410550 /nfs/dbraw/zinc/41/05/50/569410550.db2.gz SCQHPDNRJUCIHG-UHFFFAOYSA-N 0 0 422.388 4.530 50 5 HJBARN O=C(c1ccccc1)c1ccc(NCCc2nnc(-c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000078990279 569422948 /nfs/dbraw/zinc/42/29/48/569422948.db2.gz OACKPJWQCLBQHE-UHFFFAOYSA-N 0 0 414.421 4.530 50 5 HJBARN CCOC(=O)c1cnc2c3ccccc3ccc2c1NCCOC(=O)c1cccs1 ZINC000019792223 569429816 /nfs/dbraw/zinc/42/98/16/569429816.db2.gz LPYHCIWDJYTGAB-UHFFFAOYSA-N 0 0 420.490 4.895 50 5 HJBARN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1)c1ccccc1[N+](=O)[O-] ZINC000001173184 571043123 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COc1ccccc1N1C(=O)c2ccccc2N[C@H]1/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000003625237 132267329 /nfs/dbraw/zinc/26/73/29/132267329.db2.gz IJRURWPNDILRCB-OWSFEGEDSA-N 0 0 401.422 4.715 50 5 HJBARN O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000009720482 132342969 /nfs/dbraw/zinc/34/29/69/132342969.db2.gz JJYFYWRAHYISGN-UHFFFAOYSA-N 0 0 414.676 4.517 50 5 HJBARN CN(Cc1cccc(Cl)c1Cl)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000012512618 132361229 /nfs/dbraw/zinc/36/12/29/132361229.db2.gz PFDWUZVSFLODML-UHFFFAOYSA-N 0 0 422.312 4.777 50 5 HJBARN C[C@@H](Nc1ccc(N2CCC(C)CC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000012558857 132363930 /nfs/dbraw/zinc/36/39/30/132363930.db2.gz HSZNYXPPYQBADE-OAHLLOKOSA-N 0 0 416.909 4.924 50 5 HJBARN O=C(c1ccccc1)c1ccc(N2CCN(c3ccccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000012632632 132365482 /nfs/dbraw/zinc/36/54/82/132365482.db2.gz QXIZEDAAZIHFHC-UHFFFAOYSA-N 0 0 421.884 4.806 50 5 HJBARN CN(Cc1ccc(Cl)cc1Cl)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000012561541 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Cc1ccc2cc(CN(C(=O)c3cccc([N+](=O)[O-])c3)C3CCCCC3)c(=O)[nH]c2c1 ZINC000013514505 558835194 /nfs/dbraw/zinc/83/51/94/558835194.db2.gz KZTINXKGBPLQHP-UHFFFAOYSA-N 0 0 419.481 4.720 50 5 HJBARN O=c1c2c3nc4ccccc4nc3n(CCc3ccccc3)c2ncn1-c1ccccc1 ZINC000055556939 558882451 /nfs/dbraw/zinc/88/24/51/558882451.db2.gz VFMQCJDRUHIDEY-UHFFFAOYSA-N 0 0 417.472 4.526 50 5 HJBARN COc1ccccc1/N=c1\oc2ccc([N+](=O)[O-])cc2cc1C(=O)Nc1ccccc1 ZINC000004679045 558890209 /nfs/dbraw/zinc/89/02/09/558890209.db2.gz YLPJHCTWQJECAB-BZZOAKBMSA-N 0 0 415.405 4.834 50 5 HJBARN O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000004688226 558893686 /nfs/dbraw/zinc/89/36/86/558893686.db2.gz OIUJAXWCOBCTGR-UHFFFAOYSA-N 0 0 405.498 4.761 50 5 HJBARN O=C(NCCCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000004687366 558893737 /nfs/dbraw/zinc/89/37/37/558893737.db2.gz ORSLXPJOILYREG-UHFFFAOYSA-N 0 0 415.799 4.889 50 5 HJBARN O=C(CC12CC3CC(CC(C3)C1)C2)NCCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000004703634 558906620 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COc1ccc(-c2nc3ccccc3c(Nc3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000005092644 559244056 /nfs/dbraw/zinc/24/40/56/559244056.db2.gz IEQRCWORKDNNAK-UHFFFAOYSA-N 0 0 402.410 4.966 50 5 HJBARN COc1ccc2c(c1)c1c(c3ccccc3n1S(=O)(=O)c1ccc(C)cc1)n2C ZINC000005100798 559245296 /nfs/dbraw/zinc/24/52/96/559245296.db2.gz HHJGHHQNKZPDMX-UHFFFAOYSA-N 0 0 404.491 4.840 50 5 HJBARN O=C(Nc1ccccc1Oc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000005101318 559245627 /nfs/dbraw/zinc/24/56/27/559245627.db2.gz XLWSVWAYTDLHQG-UHFFFAOYSA-N 0 0 402.362 4.746 50 5 HJBARN Cc1nn(-c2ccccc2)c2nc(-c3cccs3)n3c4ccccc4nc3c2c1=O ZINC000005209053 560538820 /nfs/dbraw/zinc/53/88/20/560538820.db2.gz ZRWBYAJKPVXCJJ-UHFFFAOYSA-N 0 0 409.474 4.619 50 5 HJBARN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccn1)c1nc2c(cccc2F)s1 ZINC000005264933 560553331 /nfs/dbraw/zinc/55/33/31/560553331.db2.gz JBQSPSRQHLGKKY-UHFFFAOYSA-N 0 0 408.414 4.586 50 5 HJBARN COc1ccc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](c3ccccc3)C2)cc1 ZINC000005446467 560588349 /nfs/dbraw/zinc/58/83/49/560588349.db2.gz ZVVGMRNAOHLEGU-QFIPXVFZSA-N 0 0 401.422 4.595 50 5 HJBARN Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])s2)c1C ZINC000005656974 560636825 /nfs/dbraw/zinc/63/68/25/560636825.db2.gz HZRLQPNGXJCQRV-UHFFFAOYSA-N 0 0 415.500 4.538 50 5 aggregator HJBARN COc1ccc(-c2cs/c(=N\Cc3cccnc3)n2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000101137360 560788329 /nfs/dbraw/zinc/78/83/29/560788329.db2.gz TUHLUULSPUKHEF-GYHWCHFESA-N 0 0 418.478 4.619 50 5 HJBARN CCSc1nc2n(n1)[C@H](c1cc([N+](=O)[O-])ccc1Cl)C1C(=O)CCCC1=N2 ZINC000102670375 560819560 /nfs/dbraw/zinc/81/95/60/560819560.db2.gz YQBILMPFNBXHQI-OAHLLOKOSA-N 0 0 405.867 4.623 50 5 HJBARN CC[C@@H](NC(=O)c1cccc(Cn2cc([N+](=O)[O-])cn2)c1)c1ccc(C(C)C)cc1 ZINC000000653589 568457819 /nfs/dbraw/zinc/45/78/19/568457819.db2.gz ZKXPVBFMXGXDAG-JOCHJYFZSA-N 0 0 406.486 4.844 50 5 HJBARN COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4)nc3c2)cc1[N+](=O)[O-] ZINC000000725974 568466071 /nfs/dbraw/zinc/46/60/71/568466071.db2.gz ZPARNYIMONBDJY-UHFFFAOYSA-N 0 0 403.394 4.972 50 5 HJBARN O=C(NCCc1c[nH]c2ccc(OCc3ccccc3)cc12)c1ccc([N+](=O)[O-])cc1 ZINC000000754068 568471879 /nfs/dbraw/zinc/47/18/79/568471879.db2.gz NPZVUEYZBFQKQH-UHFFFAOYSA-N 0 0 415.449 4.628 50 5 HJBARN COc1cccc(-c2nc3cc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3o2)c1 ZINC000000826554 568499229 /nfs/dbraw/zinc/49/92/29/568499229.db2.gz IINLUSKGMYCSQY-UHFFFAOYSA-N 0 0 403.394 4.972 50 5 HJBARN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc3oc4ccccc4c(=O)c3c2)c1 ZINC000095457277 568618414 /nfs/dbraw/zinc/61/84/14/568618414.db2.gz SXEBYZXOPSUIFJ-KUHUBIRLSA-N 0 0 412.445 4.793 50 5 HJBARN COc1cc(-c2noc(-c3ccccc3)n2)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000096280754 568718219 /nfs/dbraw/zinc/71/82/19/568718219.db2.gz QIILKMFDCRZDSI-UHFFFAOYSA-N 0 0 403.394 4.899 50 5 HJBARN O=C(N[C@@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000000973382 568758850 /nfs/dbraw/zinc/75/88/50/568758850.db2.gz OQJNBTAJEBJFEC-CQSZACIVSA-N 0 0 423.083 4.786 50 5 HJBARN CCOC(=O)c1c(C)sc(Sc2ccc(Cl)cc2[N+](=O)[O-])c1OC(C)=O ZINC000000977829 568758946 /nfs/dbraw/zinc/75/89/46/568758946.db2.gz CBSZRYSLNUKIGI-UHFFFAOYSA-N 0 0 415.876 4.871 50 5 HJBARN CCOC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CC[C@H](C)C2 ZINC000000995598 568759795 /nfs/dbraw/zinc/75/97/95/568759795.db2.gz FHDZGUTZVWIDQR-FROQITRMSA-N 0 0 414.483 4.610 50 5 HJBARN Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@]3(C)C2=O)cc1[N+](=O)[O-] ZINC000001116948 568770823 /nfs/dbraw/zinc/77/08/23/568770823.db2.gz CKMXCPOHWRRDDI-GLSWWRQESA-N 0 0 424.456 4.690 50 5 HJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1c(Cl)cccc1Cl ZINC000001129232 568772817 /nfs/dbraw/zinc/77/28/17/568772817.db2.gz UMPXMWXSFHPYLB-UHFFFAOYSA-N 0 0 401.271 4.782 50 5 HJBARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002582421 568784969 /nfs/dbraw/zinc/78/49/69/568784969.db2.gz JPQMSJTVMLPKIK-UHFFFAOYSA-N 0 0 423.225 4.793 50 5 HJBARN CCOC(=O)c1c2c(sc1NSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCCC2 ZINC000002584071 568785011 /nfs/dbraw/zinc/78/50/11/568785011.db2.gz WLCOAVNQQHKSHK-UHFFFAOYSA-N 0 0 423.472 4.739 50 5 HJBARN Cc1nn(C(=O)COc2ccc(C)cc2C)c(C)c1Sc1ccc([N+](=O)[O-])cc1 ZINC000002685858 568800658 /nfs/dbraw/zinc/80/06/58/568800658.db2.gz DLENJIJDTKNHBJ-UHFFFAOYSA-N 0 0 411.483 4.895 50 5 HJBARN CC(C)OC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 ZINC000002741570 568805786 /nfs/dbraw/zinc/80/57/86/568805786.db2.gz NFZQLIMLNRVESY-FMIVXFBMSA-N 0 0 414.483 4.752 50 5 HJBARN Cc1sc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C(N)=O)c1-c1ccccc1 ZINC000002763234 568807142 /nfs/dbraw/zinc/80/71/42/568807142.db2.gz BSMJCDWPAXOOTI-UHFFFAOYSA-N 0 0 415.858 4.636 50 5 HJBARN COc1ccccc1Oc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1 ZINC000002794743 568809359 /nfs/dbraw/zinc/80/93/59/568809359.db2.gz PADUGQYMBJFSND-UHFFFAOYSA-N 0 0 409.354 4.556 50 5 HJBARN COc1ccccc1COc1ccc2c(c1)oc(=O)cc2-c1cccc([N+](=O)[O-])c1 ZINC000002841647 568812664 /nfs/dbraw/zinc/81/26/64/568812664.db2.gz VEATZMBLZLYJMY-UHFFFAOYSA-N 0 0 403.390 4.956 50 5 HJBARN COc1ccc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)cc1[N+](=O)[O-] ZINC000002860951 568813453 /nfs/dbraw/zinc/81/34/53/568813453.db2.gz JBKUJQKUXASAGA-UHFFFAOYSA-N 0 0 416.389 4.629 50 5 HJBARN O=C(OCc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000002868604 568813733 /nfs/dbraw/zinc/81/37/33/568813733.db2.gz YSKBCNUOFUTHSW-UHFFFAOYSA-N 0 0 411.797 4.824 50 5 HJBARN O=C1NC(=S)SC1=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000002911019 568815602 /nfs/dbraw/zinc/81/56/02/568815602.db2.gz NJJKMLKEWRZUDT-VGOFMYFVSA-N 0 0 403.397 4.624 50 5 HJBARN CCCCSc1nnc2c(n1)O[C@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1-2 ZINC000002920866 568816863 /nfs/dbraw/zinc/81/68/63/568816863.db2.gz JCJMQQUYMSOKCK-GOSISDBHSA-N 0 0 409.471 4.842 50 5 HJBARN Cc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000001217221 568824774 /nfs/dbraw/zinc/82/47/74/568824774.db2.gz DKGROULYZQTVGA-UHFFFAOYSA-N 0 0 421.844 4.851 50 5 HJBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001218280 568824911 /nfs/dbraw/zinc/82/49/11/568824911.db2.gz QBNJHYRVEMBZNT-UHFFFAOYSA-N 0 0 408.254 4.650 50 5 HJBARN Cc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000001218210 568824924 /nfs/dbraw/zinc/82/49/24/568824924.db2.gz VJFWYQLYPBUJKS-UHFFFAOYSA-N 0 0 401.426 4.506 50 5 HJBARN CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CC[C@H](CC)C2 ZINC000001217683 568824937 /nfs/dbraw/zinc/82/49/37/568824937.db2.gz NICMLZZPKWLCHF-LBPRGKRZSA-N 0 0 402.472 4.600 50 5 HJBARN C[C@@H]1C[C@H](C)CN(C(=O)CSc2nc3ccccc3c3nc4ccccc4n32)C1 ZINC000002959655 568829949 /nfs/dbraw/zinc/82/99/49/568829949.db2.gz UHKOLDNYBMZSOO-IYBDPMFKSA-N 0 0 404.539 4.632 50 5 HJBARN COc1cccc(CNC(=O)c2ccc3c4nc5ccccc5n4c(=S)[nH]c3c2)c1 ZINC000002959546 568829996 /nfs/dbraw/zinc/82/99/96/568829996.db2.gz KIEYNTIOYPHQEL-UHFFFAOYSA-N 0 0 414.490 4.637 50 5 HJBARN C[C@H]1C[C@H](C)CN(C(=O)CSc2nc3ccccc3c3nc4ccccc4n32)C1 ZINC000002959659 568830049 /nfs/dbraw/zinc/83/00/49/568830049.db2.gz UHKOLDNYBMZSOO-HOTGVXAUSA-N 0 0 404.539 4.632 50 5 HJBARN O=c1c2ccccc2nc(SCc2cccc([N+](=O)[O-])c2)n1CCc1ccccc1 ZINC000002970134 568830445 /nfs/dbraw/zinc/83/04/45/568830445.db2.gz RIJBZMKHKUKKDX-UHFFFAOYSA-N 0 0 417.490 4.840 50 5 HJBARN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3cccnc3[N+](=O)[O-])ccc21 ZINC000005971268 568833200 /nfs/dbraw/zinc/83/32/00/568833200.db2.gz QSBNSYKEZLCENC-CQSZACIVSA-N 0 0 404.426 4.524 50 5 HJBARN C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc2c(c1)CCCC2 ZINC000012542714 568848910 /nfs/dbraw/zinc/84/89/10/568848910.db2.gz OLIFBXTUIYPYHF-SFHVURJKSA-N 0 0 410.517 4.911 50 5 HJBARN COc1cccc([C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2nccn2C)c1 ZINC000012550767 568853279 /nfs/dbraw/zinc/85/32/79/568853279.db2.gz UPOZOXOQUOBVFH-QGZVFWFLSA-N 0 0 406.364 4.557 50 5 HJBARN O=C1O[C@@H](Nc2ccccc2Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 ZINC000003185766 568860091 /nfs/dbraw/zinc/86/00/91/568860091.db2.gz ZPYAMKCGJVVZCE-LJQANCHMSA-N 0 0 423.406 4.935 50 5 HJBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1csc2nc(-c3ccccc3)cn12 ZINC000012576011 568862656 /nfs/dbraw/zinc/86/26/56/568862656.db2.gz LKLJHUQSIIPDDB-HNNXBMFYSA-N 0 0 420.494 4.733 50 5 HJBARN CN(C(=O)CN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000058104468 568885972 /nfs/dbraw/zinc/88/59/72/568885972.db2.gz VQFHNFMHSXRIKV-GOSISDBHSA-N 0 0 408.285 4.702 50 5 HJBARN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Sc1nncs1 ZINC000058179809 568896104 /nfs/dbraw/zinc/89/61/04/568896104.db2.gz UUGAUFFXAMVJCG-NSHDSACASA-N 0 0 418.525 4.717 50 5 HJBARN O=C(Cc1c(SCc2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccccc1 ZINC000003668816 568923637 /nfs/dbraw/zinc/92/36/37/568923637.db2.gz VGSQGBYEPVRCAV-UHFFFAOYSA-N 0 0 423.450 4.977 50 5 HJBARN Cc1c(C(=O)N[C@@H](Cc2nc3ccccc3n2C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000012734088 568923992 /nfs/dbraw/zinc/92/39/92/568923992.db2.gz DRVKNLTZHXNQQU-FQEVSTJZSA-N 0 0 414.465 4.504 50 5 HJBARN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000031464660 568926694 /nfs/dbraw/zinc/92/66/94/568926694.db2.gz USGCVDFEWPIJAA-UHFFFAOYSA-N 0 0 421.453 4.654 50 5 HJBARN O=C1c2n[nH]c(-c3ccc(F)cc3)c2[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 ZINC000004009039 568933149 /nfs/dbraw/zinc/93/31/49/568933149.db2.gz DBAHRZVGCSOJKN-QFIPXVFZSA-N 0 0 414.396 4.874 50 5 HJBARN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2NCc2ccccc2)cc1 ZINC000004014469 568933538 /nfs/dbraw/zinc/93/35/38/568933538.db2.gz JWDHFBDPRHMMTD-UHFFFAOYSA-N 0 0 406.398 4.676 50 5 HJBARN COc1cc(C(=O)Nc2ccc(-c3nccs3)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000012755427 568942652 /nfs/dbraw/zinc/94/26/52/568942652.db2.gz GMXFTCUWCFVLTR-UHFFFAOYSA-N 0 0 421.381 4.581 50 5 HJBARN O=C(c1ccccc1)c1ccc(Sc2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000012765393 568947807 /nfs/dbraw/zinc/94/78/07/568947807.db2.gz MJBMLVGLRPUPQT-UHFFFAOYSA-N 0 0 402.435 4.762 50 5 HJBARN O=C(c1cccs1)[C@@H]1[C@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N21 ZINC000004168879 568948118 /nfs/dbraw/zinc/94/81/18/568948118.db2.gz IVXTXTKDOXPLHH-PDGJWGCVSA-N 0 0 402.475 4.644 50 5 HJBARN COC(=O)c1ccccc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000001453673 568986720 /nfs/dbraw/zinc/98/67/20/568986720.db2.gz BFLMADXKLMUQFI-UHFFFAOYSA-N 0 0 400.774 4.547 50 5 HJBARN CCCOC(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3[N+](=O)[O-])o2)cc1 ZINC000008400006 568998310 /nfs/dbraw/zinc/99/83/10/568998310.db2.gz OVZHKEJLUWLJBT-UHFFFAOYSA-N 0 0 424.409 4.586 50 5 HJBARN Cc1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000012921180 569023216 /nfs/dbraw/zinc/02/32/16/569023216.db2.gz RLTNEMBPUNRPLF-FQEVSTJZSA-N 0 0 413.524 4.612 50 5 HJBARN O=C1OC(C=Cc2cccc([N+](=O)[O-])c2)=NC1=CNc1ccc(Cl)cc1Cl ZINC000006321691 569043127 /nfs/dbraw/zinc/04/31/27/569043127.db2.gz YQUMZVWNGHPLLP-LVVPDBGKSA-N 0 0 404.209 4.824 50 5 HJBARN CC[C@H](C)NC(=O)c1nn(-c2ccccc2)c(Oc2ccc([N+](=O)[O-])cc2F)c1C ZINC000035591989 569045420 /nfs/dbraw/zinc/04/54/20/569045420.db2.gz JSEASQIRCAEZNV-ZDUSSCGKSA-N 0 0 412.421 4.549 50 5 HJBARN COc1cc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OC(=O)c1ccccc1 ZINC000001745210 569048829 /nfs/dbraw/zinc/04/88/29/569048829.db2.gz HLYKXQHRCFUYST-VQHVLOKHSA-N 0 0 420.377 4.901 50 5 HJBARN CC(C)c1ccc(-c2noc(CCC(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000013009021 569049930 /nfs/dbraw/zinc/04/99/30/569049930.db2.gz FCPFDDZKVYZWNM-MRXNPFEDSA-N 0 0 422.485 4.920 50 5 HJBARN COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)oc2ccccc2c3=O)cc1OC ZINC000006660797 569084994 /nfs/dbraw/zinc/08/49/94/569084994.db2.gz IGGIXNZBAHDCDN-XYOKQWHBSA-N 0 0 401.418 4.615 50 5 HJBARN COc1cccc(N([C@@H](C)c2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000036247666 569116499 /nfs/dbraw/zinc/11/64/99/569116499.db2.gz UQCZDUUPTFTBEI-INIZCTEOSA-N 0 0 412.467 4.560 50 5 HJBARN Cc1cccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000036247997 569116504 /nfs/dbraw/zinc/11/65/04/569116504.db2.gz KMCGSTYAVQGCAF-UHFFFAOYSA-N 0 0 416.886 4.952 50 5 HJBARN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2F)c2ccc(Cl)cc2)cc1 ZINC000036247142 569116505 /nfs/dbraw/zinc/11/65/05/569116505.db2.gz DZKZHWAGJPZSMJ-UHFFFAOYSA-N 0 0 420.849 4.783 50 5 HJBARN Cc1cc(C(=O)Nc2ccc3c(c2)Sc2ccccc2C(=O)N3C)ccc1[N+](=O)[O-] ZINC000064979719 569141082 /nfs/dbraw/zinc/14/10/82/569141082.db2.gz FPLOXBJKSDLEAR-UHFFFAOYSA-N 0 0 419.462 4.897 50 5 HJBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000169938745 569209628 /nfs/dbraw/zinc/20/96/28/569209628.db2.gz XVAKXVJSOGMVBG-ZDUSSCGKSA-N 0 0 401.875 4.878 50 5 HJBARN CCc1cc(N2CCC(c3ccc(O)cc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065514689 569233219 /nfs/dbraw/zinc/23/32/19/569233219.db2.gz VIWRCDSKIWPCQS-UHFFFAOYSA-N 0 0 404.470 4.704 50 5 HJBARN Cc1nc(C)c([C@H](C)N(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)s1 ZINC000170622618 569249401 /nfs/dbraw/zinc/24/94/01/569249401.db2.gz ITQUVDFYEDTTMT-NSHDSACASA-N 0 0 402.501 4.625 50 5 HJBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)N(C)Cc2ccccc2C)cc1 ZINC000007597628 569287788 /nfs/dbraw/zinc/28/77/88/569287788.db2.gz HOCBLMHURITCPF-UHFFFAOYSA-N 0 0 420.465 4.616 50 5 HJBARN CC(C)(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000007759753 569307317 /nfs/dbraw/zinc/30/73/17/569307317.db2.gz REQAPANGNQUQIL-UHFFFAOYSA-N 0 0 414.849 4.739 50 5 HJBARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000036416660 569358097 /nfs/dbraw/zinc/35/80/97/569358097.db2.gz DRONVMYLHJOTNP-GGAORHGYSA-N 0 0 401.422 4.846 50 5 HJBARN CCOCCCn1cc(OC(=O)C(C)C)c2c3nc4ccccc4n3c(C(C)C)nc21 ZINC000002330883 569375777 /nfs/dbraw/zinc/37/57/77/569375777.db2.gz ZJHIFIGPQFYDLW-UHFFFAOYSA-N 0 0 422.529 4.949 50 5 HJBARN CC[C@@H](C)n1c(C)nc2c(c3nc4ccccc4nc3n2-c2cccc(OC)c2)c1=O ZINC000002410379 569396736 /nfs/dbraw/zinc/39/67/36/569396736.db2.gz SXJMNFCCMXPCFE-CQSZACIVSA-N 0 0 413.481 4.572 50 5 HJBARN CC[C@@H](C)n1c(C)nc2c(c3nc4ccccc4nc3n2Cc2ccc(C)cc2)c1=O ZINC000002427402 569398704 /nfs/dbraw/zinc/39/87/04/569398704.db2.gz VHZCHZXZARGFMC-MRXNPFEDSA-N 0 0 411.509 4.931 50 5 HJBARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000013000750 569406298 /nfs/dbraw/zinc/40/62/98/569406298.db2.gz ITLGVDZNXQBTOD-ZDUSSCGKSA-N 0 0 413.455 4.643 50 5 HJBARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000013000748 569406312 /nfs/dbraw/zinc/40/63/12/569406312.db2.gz ITLGVDZNXQBTOD-CYBMUJFWSA-N 0 0 413.455 4.643 50 5 HJBARN COc1ccccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o/c1=N\c1ccccc1 ZINC000008496235 571061740 /nfs/dbraw/zinc/06/17/40/571061740.db2.gz POKIJKMNNDADOG-VHXPQNKSSA-N 0 0 415.405 4.834 50 5 HJBARN CCOC(=O)/C=C(/C)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1c1c[nH]c2ccccc21 ZINC000008655563 571098840 /nfs/dbraw/zinc/09/88/40/571098840.db2.gz BZKJFQNHVMHUPB-LHTZNZITSA-N 0 0 418.453 4.694 50 5 HJBARN O=[N+]([O-])c1ccc(-c2ccc(-c3nn4c(nnc4-c4ccco4)s3)o2)c(Cl)c1 ZINC000008763567 571114717 /nfs/dbraw/zinc/11/47/17/571114717.db2.gz HCNSNHZHDUQMKM-UHFFFAOYSA-N 0 0 413.802 4.934 50 5 HJBARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000040074144 571154374 /nfs/dbraw/zinc/15/43/74/571154374.db2.gz AVDZQDDJECXFBC-UHFFFAOYSA-N 0 0 403.797 4.623 50 5 HJBARN O=C(Nc1ccccc1Oc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000040099103 571160253 /nfs/dbraw/zinc/16/02/53/571160253.db2.gz JBQROFMAZDSVHN-UHFFFAOYSA-N 0 0 418.453 4.741 50 5 HJBARN O=C(Nc1ccc(F)cc1)c1oc2ccccc2c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000009413989 571256095 /nfs/dbraw/zinc/25/60/95/571256095.db2.gz JXXBPZDOIPQWBH-UHFFFAOYSA-N 0 0 419.368 4.985 50 5 HJBARN COc1ccc(C(=O)Nc2ccc(Sc3nc4ccccc4[nH]3)cc2)cc1[N+](=O)[O-] ZINC000009414829 571256116 /nfs/dbraw/zinc/25/61/16/571256116.db2.gz LDHHQLMBMHQJCK-UHFFFAOYSA-N 0 0 420.450 4.883 50 5 HJBARN COc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)n2)cc1 ZINC000009441528 571259194 /nfs/dbraw/zinc/25/91/94/571259194.db2.gz PGXVNVBGKRVTDT-UHFFFAOYSA-N 0 0 424.482 4.579 50 5 HJBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N(Cc1ccccn1)c1nc2ccccc2s1 ZINC000009717004 571281667 /nfs/dbraw/zinc/28/16/67/571281667.db2.gz IZMXZKXFPWWLCA-JLHYYAGUSA-N 0 0 416.462 4.846 50 5 HJBARN O=C(c1ccc([N+](=O)[O-])o1)N(Cc1cccnc1)c1nc2c(cccc2Cl)s1 ZINC000009829721 571287407 /nfs/dbraw/zinc/28/74/07/571287407.db2.gz JPMHDWPSGBLAAX-UHFFFAOYSA-N 0 0 414.830 4.693 50 5 HJBARN O=[N+]([O-])c1cc(-c2nn(-c3ccccc3)c(=S)n2-c2ccccc2)cc([N+](=O)[O-])c1 ZINC000025693897 571315552 /nfs/dbraw/zinc/31/55/52/571315552.db2.gz OXMNVMGKAXHGOW-UHFFFAOYSA-N 0 0 419.422 4.876 50 5 HJBARN CCCCCNC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000004660647 535074676 /nfs/dbraw/zinc/07/46/76/535074676.db2.gz PDHDPPRIYMGQAF-UHFFFAOYSA-N 0 0 409.530 4.974 50 5 HJBARN C[C@H]1CCc2c(sc3nc4c5ccccc5c(N5CCCCC5)nn4c(=O)c23)C1 ZINC000000628580 132229321 /nfs/dbraw/zinc/22/93/21/132229321.db2.gz DUSDQLITXYLXCJ-AWEZNQCLSA-N 0 0 404.539 4.573 50 5 HJBARN O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000012860640 132367904 /nfs/dbraw/zinc/36/79/04/132367904.db2.gz WGUNDSFGWGXIFI-UHFFFAOYSA-N 0 0 421.884 4.878 50 5 HJBARN CSc1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1[N+](=O)[O-] ZINC000032505439 525953162 /nfs/dbraw/zinc/95/31/62/525953162.db2.gz ALVYXMXKEWSRDI-UHFFFAOYSA-N 0 0 414.483 4.630 50 5 HJBARN O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000000682694 527093379 /nfs/dbraw/zinc/09/33/79/527093379.db2.gz WJBASHPHPKGYEJ-KGENOOAVSA-N 0 0 400.390 4.518 50 5 HJBARN O=[N+]([O-])c1cccc(-c2noc(CSc3nnc(Nc4ccccc4)s3)n2)c1 ZINC000031843447 527383019 /nfs/dbraw/zinc/38/30/19/527383019.db2.gz VTIRKRRRPIELBH-UHFFFAOYSA-N 0 0 412.456 4.532 50 5 HJBARN Nc1nc(COc2ccc([N+](=O)[O-])cc2Cl)nc2sc3c(c21)CCCCC3 ZINC000032848672 527552251 /nfs/dbraw/zinc/55/22/51/527552251.db2.gz BTSROKAIKIYSEQ-UHFFFAOYSA-N 0 0 404.879 4.683 50 5 HJBARN CC(C)(C)[C@H]1CCc2nc(N)c3c(=O)oc4ccc(Br)cc4c3c2C1 ZINC000002882297 557419965 /nfs/dbraw/zinc/41/99/65/557419965.db2.gz GYNYIGPHFZCBMG-JTQLQIEISA-N 0 0 401.304 4.837 50 5 HJBARN O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000004328682 558260544 /nfs/dbraw/zinc/26/05/44/558260544.db2.gz AVKHLXPPKMXQJX-UHFFFAOYSA-N 0 0 406.876 4.644 50 5 HJBARN C[C@]1(OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]2C=C[C@@H]1c1c(F)c(F)c(F)c(F)c12 ZINC000004350403 558424590 /nfs/dbraw/zinc/42/45/90/558424590.db2.gz VPKZZSFJSAQQRN-MPDMTVCLSA-N 0 0 407.319 4.908 50 5 HJBARN O=C(COC(=O)c1sccc1-c1ccccc1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000010985593 558641487 /nfs/dbraw/zinc/64/14/87/558641487.db2.gz LGHSFSSLHKCPOZ-UHFFFAOYSA-N 0 0 416.842 4.772 50 5 HJBARN O=[N+]([O-])c1ccc(C2=Nn3c(nnc3-c3ccc(Cl)cc3Cl)SC2)cc1 ZINC000004598337 558829150 /nfs/dbraw/zinc/82/91/50/558829150.db2.gz JFBKEDBDHFONRZ-UHFFFAOYSA-N 0 0 406.254 4.518 50 5 HJBARN COc1ccc(C(=O)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)cc1[N+](=O)[O-] ZINC000013692155 558854935 /nfs/dbraw/zinc/85/49/35/558854935.db2.gz XXZPBJJBNOHIJM-UHFFFAOYSA-N 0 0 419.393 4.678 50 5 HJBARN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(NCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000004683669 558894636 /nfs/dbraw/zinc/89/46/36/558894636.db2.gz RLHFRSPKYISWHH-IAGOWNOFSA-N 0 0 413.861 4.540 50 5 HJBARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(NCCC4=CCCCC4)c([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000004684098 558895101 /nfs/dbraw/zinc/89/51/01/558895101.db2.gz CCQQOTBPMUURGU-ATZDWAIDSA-N 0 0 411.502 4.823 50 5 HJBARN CCCC1=Nc2nc3ccccc3n2[C@@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OCC ZINC000004735574 559009570 /nfs/dbraw/zinc/00/95/70/559009570.db2.gz SZACMFSBLXVPSN-FQEVSTJZSA-N 0 0 406.442 4.577 50 5 HJBARN CC(C)Oc1ccc(C(=O)NCC(C)(C)CNc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000004740949 559043723 /nfs/dbraw/zinc/04/37/23/559043723.db2.gz QJWZPZZFSKGYST-UHFFFAOYSA-N 0 0 419.909 4.904 50 5 HJBARN CCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000004767980 559055395 /nfs/dbraw/zinc/05/53/95/559055395.db2.gz DWVNXWJINNCRDB-OAQYLSRUSA-N 0 0 420.469 4.967 50 5 HJBARN CCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccccc1[N+](=O)[O-] ZINC000004767981 559055398 /nfs/dbraw/zinc/05/53/98/559055398.db2.gz DWVNXWJINNCRDB-NRFANRHFSA-N 0 0 420.469 4.967 50 5 HJBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1cnn(Cc2c(Cl)cccc2Cl)c1 ZINC000033332801 559063209 /nfs/dbraw/zinc/06/32/09/559063209.db2.gz POEYHJYWVJVHBZ-FPLPWBNLSA-N 0 0 417.252 4.798 50 5 HJBARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004854183 559191802 /nfs/dbraw/zinc/19/18/02/559191802.db2.gz DRONVMYLHJOTNP-FYYLOGMGSA-N 0 0 401.422 4.846 50 5 HJBARN COc1cc(NC(=O)c2c(C)onc2-c2ccccc2Cl)c(C)cc1[N+](=O)[O-] ZINC000004966166 559218340 /nfs/dbraw/zinc/21/83/40/559218340.db2.gz DCHJSCXBJRJQKP-UHFFFAOYSA-N 0 0 401.806 4.781 50 5 HJBARN CCOc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3cccc(Cl)c3)n2)cc1 ZINC000005029833 559231128 /nfs/dbraw/zinc/23/11/28/559231128.db2.gz SGJWYQGJUBIXEE-UHFFFAOYSA-N 0 0 400.826 4.506 50 5 HJBARN CC[C@@H](C)n1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccc(OC)cc2)c1=O ZINC000005151254 559253817 /nfs/dbraw/zinc/25/38/17/559253817.db2.gz OAXPWBMPIBIYDZ-CQSZACIVSA-N 0 0 413.481 4.572 50 5 HJBARN Cc1ccc([C@H]2Cc3cc(C(=O)Nc4ccc([N+](=O)[O-])cc4C)ccc3C(=O)O2)cc1 ZINC000011851803 559262030 /nfs/dbraw/zinc/26/20/30/559262030.db2.gz OOPJFCFGKIKZIH-JOCHJYFZSA-N 0 0 416.433 4.918 50 5 HJBARN COc1cc2ccccc2cc1C(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 ZINC000005193047 559291616 /nfs/dbraw/zinc/29/16/16/559291616.db2.gz HVLFHOYKAFWLEW-UHFFFAOYSA-N 0 0 406.423 4.527 50 5 HJBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000005446815 560588306 /nfs/dbraw/zinc/58/83/06/560588306.db2.gz CBHYJDAVENFPHP-UHFFFAOYSA-N 0 0 405.435 4.889 50 5 HJBARN CC(=O)N(c1nc(COc2ccc(C)nc2[N+](=O)[O-])cs1)c1ccc(C)c(C)c1 ZINC000005689411 560784658 /nfs/dbraw/zinc/78/46/58/560784658.db2.gz ZOKVKSOSOKCWNL-UHFFFAOYSA-N 0 0 412.471 4.635 50 5 HJBARN O=C(Nc1oc2ccccc2c(=O)c1-c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000101350281 560793252 /nfs/dbraw/zinc/79/32/52/560793252.db2.gz UEDIDGULWDOLMD-UHFFFAOYSA-N 0 0 404.353 4.760 50 5 HJBARN O=C1CCCC2=Nc3ncnn3[C@H](c3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C12 ZINC000102580921 560817008 /nfs/dbraw/zinc/81/70/08/560817008.db2.gz ZGXIXIROCOJCLJ-HXUWFJFHSA-N 0 0 421.388 4.789 50 5 HJBARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc([N+](=O)[O-])cc3)C2=O)c(C)c1 ZINC000103005055 560836372 /nfs/dbraw/zinc/83/63/72/560836372.db2.gz XOUVFIKGMHUDKS-STZFKDTASA-N 0 0 413.433 4.852 50 5 HJBARN Cn1cc([C@@H](CC(=O)NCc2ccco2)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000106798263 560893898 /nfs/dbraw/zinc/89/38/98/560893898.db2.gz QFPIOPCRIZXNGS-FQEVSTJZSA-N 0 0 403.438 4.518 50 5 HJBARN Cn1cc([C@@H](CC(=O)NCc2ccccc2)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000106798248 560893904 /nfs/dbraw/zinc/89/39/04/560893904.db2.gz ZQRRHGQINHVZKQ-QFIPXVFZSA-N 0 0 413.477 4.925 50 5 HJBARN Cn1c2oc(-c3ccccc3)c(C(=O)c3ccccc3)c(=O)c2c2ccccc2c1=O ZINC000000715549 568465770 /nfs/dbraw/zinc/46/57/70/568465770.db2.gz RTPBAGYOWNXGFW-UHFFFAOYSA-N 0 0 407.425 4.543 50 5 HJBARN O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000024929769 568490545 /nfs/dbraw/zinc/49/05/45/568490545.db2.gz ZIZGSRCYIGERPK-UHFFFAOYSA-N 0 0 401.831 4.559 50 5 HJBARN COc1cccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3o2)c1 ZINC000000824708 568497994 /nfs/dbraw/zinc/49/79/94/568497994.db2.gz CBNHXNIIKTVCLM-UHFFFAOYSA-N 0 0 403.394 4.972 50 5 HJBARN O=C(Nc1cccc(C2SCCS2)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000095381717 568603516 /nfs/dbraw/zinc/60/35/16/568603516.db2.gz PGQJRLUYIIRYCC-UHFFFAOYSA-N 0 0 412.496 4.511 50 5 HJBARN COc1ccc(NC(=O)c2oc(=O)c3ccccc3c2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000020767548 568643526 /nfs/dbraw/zinc/64/35/26/568643526.db2.gz VSIXBFCCNWOPKK-UHFFFAOYSA-N 0 0 416.389 4.629 50 5 HJBARN COc1ccc(-c2noc(-c3ccc(N(C)Cc4ccccc4)c([N+](=O)[O-])c3)n2)cc1 ZINC000020897754 568649343 /nfs/dbraw/zinc/64/93/43/568649343.db2.gz HLSANBKJZVSGBJ-UHFFFAOYSA-N 0 0 416.437 4.957 50 5 HJBARN Cc1ccc([C@@H]2Cc3cc(C(=O)Nc4cccc([N+](=O)[O-])c4)ccc3C(=O)O2)cc1 ZINC000020900165 568649558 /nfs/dbraw/zinc/64/95/58/568649558.db2.gz ZUPQDXMYDXUZRJ-NRFANRHFSA-N 0 0 402.406 4.610 50 5 HJBARN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277038 568715878 /nfs/dbraw/zinc/71/58/78/568715878.db2.gz DEZLBQZVUYUEKE-SJKOYZFVSA-N 0 0 414.849 4.815 50 5 HJBARN CCCC(=O)N(c1ccc(C)c(F)c1)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000034675663 568725867 /nfs/dbraw/zinc/72/58/67/568725867.db2.gz BTNRHWWEUCAHHU-UHFFFAOYSA-N 0 0 413.493 4.840 50 5 HJBARN Cc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccncc2)cc1 ZINC000000897304 568740749 /nfs/dbraw/zinc/74/07/49/568740749.db2.gz HPIAZVVKWDGLEO-UHFFFAOYSA-N 0 0 403.467 4.838 50 5 HJBARN O=C(Oc1cccc2c1Oc1nc3ccccc3nc1O2)c1ccccc1[N+](=O)[O-] ZINC000000984202 568760151 /nfs/dbraw/zinc/76/01/51/568760151.db2.gz MOEARZNYYRPZFN-UHFFFAOYSA-N 0 0 401.334 4.655 50 5 HJBARN CSc1nnc2c3cccn3c3c4c(nc(-c5ccccc5)nc4C)sc3n12 ZINC000001008929 568762019 /nfs/dbraw/zinc/76/20/19/568762019.db2.gz NUCODHFKIYYHMD-UHFFFAOYSA-N 0 0 402.508 4.837 50 5 HJBARN O=C(NC(=S)Nc1cccc2ncccc21)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000001051243 568764851 /nfs/dbraw/zinc/76/48/51/568764851.db2.gz DHNJPVNFXJYGHH-UHFFFAOYSA-N 0 0 418.434 4.530 50 5 HJBARN Cc1ccc(C(=O)COc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1C ZINC000001109488 568768811 /nfs/dbraw/zinc/76/88/11/568768811.db2.gz QVUCOESJJWWVII-UHFFFAOYSA-N 0 0 404.422 4.726 50 5 HJBARN O=C(COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 ZINC000001118830 568770900 /nfs/dbraw/zinc/77/09/00/568770900.db2.gz OSKYVZMJHJECPE-UHFFFAOYSA-N 0 0 414.211 4.550 50 5 HJBARN Cc1nn(C(=O)COc2ccc(C)cc2C)c(C)c1Sc1ccccc1[N+](=O)[O-] ZINC000001120402 568771117 /nfs/dbraw/zinc/77/11/17/568771117.db2.gz IELFIVZXISEUAN-UHFFFAOYSA-N 0 0 411.483 4.895 50 5 HJBARN COc1ccc(NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000001149354 568772681 /nfs/dbraw/zinc/77/26/81/568772681.db2.gz CSCVHKHFBXHYNZ-UHFFFAOYSA-N 0 0 405.769 4.612 50 5 HJBARN O=C(CSc1nc2ccccc2n1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000001130759 568773105 /nfs/dbraw/zinc/77/31/05/568773105.db2.gz FOCZTJDDUVYZRC-UHFFFAOYSA-N 0 0 403.463 4.968 50 5 HJBARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000001133997 568773276 /nfs/dbraw/zinc/77/32/76/568773276.db2.gz ZVNWYKIFGVOFRE-UHFFFAOYSA-N 0 0 419.364 4.769 50 5 HJBARN CC(=O)Nc1ccc(NC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001152256 568774041 /nfs/dbraw/zinc/77/40/41/568774041.db2.gz JOYDGICCRNYPGZ-UHFFFAOYSA-N 0 0 407.451 4.957 50 5 HJBARN CCOc1ccc2[nH]c(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)nc2c1 ZINC000002616876 568785833 /nfs/dbraw/zinc/78/58/33/568785833.db2.gz ZZFMDGJQTYHDJW-JTQLQIEISA-N 0 0 420.878 4.643 50 5 HJBARN O=c1c2ccccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1F ZINC000002636438 568792186 /nfs/dbraw/zinc/79/21/86/568792186.db2.gz LZDJKJRNXRBWFO-UHFFFAOYSA-N 0 0 407.426 4.725 50 5 HJBARN COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCCCC2 ZINC000002746850 568805983 /nfs/dbraw/zinc/80/59/83/568805983.db2.gz DDUKZZOHDDRTGR-UHFFFAOYSA-N 0 0 408.863 4.618 50 5 HJBARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000002859628 568813344 /nfs/dbraw/zinc/81/33/44/568813344.db2.gz GSMUMHCGVXZLSW-UHFFFAOYSA-N 0 0 409.829 4.682 50 5 HJBARN Cc1cc(OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c(C)cc1Br ZINC000002881138 568814085 /nfs/dbraw/zinc/81/40/85/568814085.db2.gz OIRFGZJHWSXTQS-UHFFFAOYSA-N 0 0 404.220 4.603 50 5 HJBARN O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccc([N+](=O)[O-])o1 ZINC000002884916 568814327 /nfs/dbraw/zinc/81/43/27/568814327.db2.gz MMQUAEAUEHVSBJ-UHFFFAOYSA-N 0 0 410.769 4.867 50 5 HJBARN O=c1c2sccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccc(F)cc1 ZINC000002909027 568815509 /nfs/dbraw/zinc/81/55/09/568815509.db2.gz AOEGXCIYXPNKTF-UHFFFAOYSA-N 0 0 413.455 4.787 50 5 HJBARN COc1cccc2c1O[C@@H](c1cccc([N+](=O)[O-])c1)N1N=C(c3ccccc3)C[C@@H]21 ZINC000216139692 568816754 /nfs/dbraw/zinc/81/67/54/568816754.db2.gz IBKVVEYALGFSOS-REWPJTCUSA-N 0 0 401.422 4.846 50 5 HJBARN O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1cc([N+](=O)[O-])ccc1F ZINC000001181482 568821636 /nfs/dbraw/zinc/82/16/36/568821636.db2.gz WRCGHFFBQZROLD-QHHAFSJGSA-N 0 0 414.245 4.567 50 5 HJBARN Cc1ccccc1NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCC2 ZINC000001188679 568821866 /nfs/dbraw/zinc/82/18/66/568821866.db2.gz BSSJIEZQFJZPAZ-UHFFFAOYSA-N 0 0 421.478 4.958 50 5 HJBARN O=[N+]([O-])c1ccccc1SCC1N=NC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000003179756 568859313 /nfs/dbraw/zinc/85/93/13/568859313.db2.gz WOIAVOUVKRGLSF-UHFFFAOYSA-N 0 0 412.418 4.775 50 5 HJBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1csc2nc(-c3ccccc3)cn12 ZINC000012576001 568862626 /nfs/dbraw/zinc/86/26/26/568862626.db2.gz LKLJHUQSIIPDDB-OAHLLOKOSA-N 0 0 420.494 4.733 50 5 HJBARN CCCn1c(=O)c2c3c(sc2nc1SCc1ccc([N+](=O)[O-])cc1)CCC3 ZINC000003277900 568871089 /nfs/dbraw/zinc/87/10/89/568871089.db2.gz JMIPTJITFNSAFX-UHFFFAOYSA-N 0 0 401.513 4.557 50 5 HJBARN Cc1ccc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)cc1[N+](=O)[O-] ZINC000004079150 568882663 /nfs/dbraw/zinc/88/26/63/568882663.db2.gz MUEMVLCGARUDRM-UHFFFAOYSA-N 0 0 414.874 4.741 50 5 HJBARN COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2[N+](=O)[O-])c1 ZINC000025782365 568914911 /nfs/dbraw/zinc/91/49/11/568914911.db2.gz ZNPMGNOOXNMBEG-FYYLOGMGSA-N 0 0 401.422 4.846 50 5 HJBARN O=C1c2n[nH]c(-c3ccc(F)cc3)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 ZINC000004009038 568933255 /nfs/dbraw/zinc/93/32/55/568933255.db2.gz DBAHRZVGCSOJKN-JOCHJYFZSA-N 0 0 414.396 4.874 50 5 HJBARN CCCCCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1OC ZINC000004037649 568935707 /nfs/dbraw/zinc/93/57/07/568935707.db2.gz KWFZQPGGYVACJP-XYOKQWHBSA-N 0 0 414.458 4.833 50 5 biogenic HJBARN Cc1ccc([C@@H](NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c2ccccc2)cc1 ZINC000025921184 568938833 /nfs/dbraw/zinc/93/88/33/568938833.db2.gz VSVSVFSEEPDRCA-QFIPXVFZSA-N 0 0 400.438 4.832 50 5 HJBARN Cc1ccc(-n2nc3c(c2NC(=O)c2cccc([N+](=O)[O-])c2C)CSC3)c(C)c1 ZINC000004176135 568948616 /nfs/dbraw/zinc/94/86/16/568948616.db2.gz XTLGBMZTHVRIAZ-UHFFFAOYSA-N 0 0 408.483 4.705 50 5 HJBARN CC(C)(C)c1csc(-c2ccc(Oc3nc4ccccn4c(=O)c3[N+](=O)[O-])cc2)n1 ZINC000012822591 569006601 /nfs/dbraw/zinc/00/66/01/569006601.db2.gz CPKHHKILAYFLHX-UHFFFAOYSA-N 0 0 422.466 4.816 50 5 HJBARN CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000015835551 569011643 /nfs/dbraw/zinc/01/16/43/569011643.db2.gz ZUKNGDRXCXRVCI-JOCHJYFZSA-N 0 0 421.478 4.764 50 5 HJBARN O=C1NC(=S)SC1=Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000016214032 569029920 /nfs/dbraw/zinc/02/99/20/569029920.db2.gz IQCTUILPNRVICQ-YBEGLDIGSA-N 0 0 408.464 4.777 50 5 HJBARN Cc1ccc2[nH]c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)nc2c1 ZINC000006420862 569048723 /nfs/dbraw/zinc/04/87/23/569048723.db2.gz CNWONABEXCRJOA-UHFFFAOYSA-N 0 0 410.377 4.529 50 5 HJBARN CC[C@@H](C)c1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 ZINC000006552781 569065337 /nfs/dbraw/zinc/06/53/37/569065337.db2.gz CFJXIOSNOGDEAE-CYBMUJFWSA-N 0 0 411.487 4.640 50 5 HJBARN C[C@H](Sc1ccc(F)cc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000006589302 569068038 /nfs/dbraw/zinc/06/80/38/569068038.db2.gz YBCUFGOWBQKXJR-NSHDSACASA-N 0 0 403.460 4.977 50 5 HJBARN Cc1cccc(CSc2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000006740490 569106546 /nfs/dbraw/zinc/10/65/46/569106546.db2.gz OUDHPNRQMYHJTI-UHFFFAOYSA-N 0 0 403.463 4.895 50 5 HJBARN Cc1ccc(CSc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc1 ZINC000006786894 569121894 /nfs/dbraw/zinc/12/18/94/569121894.db2.gz GHPBFYBMPUXOTP-UHFFFAOYSA-N 0 0 420.556 4.760 50 5 HJBARN O=c1c(Cl)c(N2CCC[C@H](c3ccccc3)CC2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000170620641 569248849 /nfs/dbraw/zinc/24/88/49/569248849.db2.gz WTXWLZZRWRRXMY-KRWDZBQOSA-N 0 0 424.888 4.568 50 5 HJBARN Cc1ccc(-c2cc(OC(=O)c3ccccc3[N+](=O)[O-])cc3sc(=O)oc32)cc1 ZINC000016742250 569261968 /nfs/dbraw/zinc/26/19/68/569261968.db2.gz MGOFZHOXTHTQGX-UHFFFAOYSA-N 0 0 407.403 4.957 50 5 HJBARN O=C(c1ccc2ccccc2c1)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000007596495 569287728 /nfs/dbraw/zinc/28/77/28/569287728.db2.gz RGCQXLGEJVBAEW-UHFFFAOYSA-N 0 0 414.421 4.603 50 5 HJBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)/C(=C\c1ccccc1)NC(=O)c1ccccc1 ZINC000027520796 569328070 /nfs/dbraw/zinc/32/80/70/569328070.db2.gz AOSPDRTYBDRDDV-DEDYPNTBSA-N 0 0 421.840 4.658 50 5 HJBARN Cc1nc2c(c3nc4ccccc4nc3n2C2CCCCC2)c(=O)n1Cc1ccco1 ZINC000002313990 569372965 /nfs/dbraw/zinc/37/29/65/569372965.db2.gz SECWODNYSTYTSK-UHFFFAOYSA-N 0 0 413.481 4.749 50 5 HJBARN CCCCCn1c(C)nc2c(c3nc4ccccc4nc3n2Cc2ccccc2)c1=O ZINC000002318087 569373309 /nfs/dbraw/zinc/37/33/09/569373309.db2.gz FTBHRTQXUSGVRF-UHFFFAOYSA-N 0 0 411.509 4.841 50 5 HJBARN O=c1c2ccccc2sc2nc(-c3cccs3)n(Cc3ccccc3)c(=O)c12 ZINC000002327036 569375516 /nfs/dbraw/zinc/37/55/16/569375516.db2.gz GMDFRUYNUUAKQE-UHFFFAOYSA-N 0 0 402.500 4.748 50 5 HJBARN CCCCCCn1c(=O)c2c(=O)c3ccc(OC)cc3oc2nc1-c1ccc(F)cc1 ZINC000002353419 569385203 /nfs/dbraw/zinc/38/52/03/569385203.db2.gz HJWWMYAGOQBAPG-UHFFFAOYSA-N 0 0 422.456 4.898 50 5 HJBARN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000009489264 569393123 /nfs/dbraw/zinc/39/31/23/569393123.db2.gz AXFMUVLAYBXQIK-VUUXHMSQSA-N 0 0 424.456 4.556 50 5 HJBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)cc(-c2nc3cc(Cl)ccc3o2)c1O ZINC000012856562 569403948 /nfs/dbraw/zinc/40/39/48/569403948.db2.gz PGHBRHTXEOCIQN-UHFFFAOYSA-N 0 0 413.773 4.916 50 5 HJBARN COc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc1[N+](=O)[O-] ZINC000013067906 569408465 /nfs/dbraw/zinc/40/84/65/569408465.db2.gz ITPLBAKLVISLTM-UHFFFAOYSA-N 0 0 424.800 4.712 50 5 HJBARN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1)c1cccc([N+](=O)[O-])c1 ZINC000001174397 571043147 /nfs/dbraw/zinc/04/31/47/571043147.db2.gz MSLZWIRZLKRDPR-UHFFFAOYSA-N 0 0 418.434 4.530 50 5 HJBARN CCCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1Br ZINC000008564039 571082007 /nfs/dbraw/zinc/08/20/07/571082007.db2.gz MZYGCJNHSPNVRO-UHFFFAOYSA-N 0 0 411.227 4.928 50 5 HJBARN CC(C)c1nc2sc3c(ncn(Cc4ccc([N+](=O)[O-])cc4)c3=O)c2c2c1CCC2 ZINC000008993073 571207788 /nfs/dbraw/zinc/20/77/88/571207788.db2.gz NPUPGONVMMFGPY-UHFFFAOYSA-N 0 0 420.494 4.575 50 5 HJBARN O=C1OC(c2cccc3ccccc32)=N/C1=C\c1ccc([N+](=O)[O-])c(Br)c1 ZINC000009007853 571210069 /nfs/dbraw/zinc/21/00/69/571210069.db2.gz IHHQICOSITZTOW-BOPFTXTBSA-N 0 0 423.222 4.855 50 5 HJBARN Cc1cccc2cc(CN(C(=O)c3cccc([N+](=O)[O-])c3)c3ccccc3)c(=O)[nH]c12 ZINC000009019655 571211863 /nfs/dbraw/zinc/21/18/63/571211863.db2.gz ISKGZCGKJNJUAX-UHFFFAOYSA-N 0 0 413.433 4.592 50 5 HJBARN O=[N+]([O-])c1cccc([C@H]2Oc3ccc([N+](=O)[O-])cc3[C@H]3CC(c4ccccc4)=NN32)c1 ZINC000009190926 571235518 /nfs/dbraw/zinc/23/55/18/571235518.db2.gz GEQLPMYGOSCNJN-IFMALSPDSA-N 0 0 416.393 4.745 50 5 HJBARN O=C1c2n[nH]c(-c3ccc(F)cc3)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 ZINC000009244119 571240912 /nfs/dbraw/zinc/24/09/12/571240912.db2.gz JEQZOODEKGFOJA-QFIPXVFZSA-N 0 0 414.396 4.874 50 5 HJBARN O=C(Nc1ccccc1)c1sc(NC[C@H]2CCCO2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000009282981 571244701 /nfs/dbraw/zinc/24/47/01/571244701.db2.gz IFJZSOGZPJVETR-QGZVFWFLSA-N 0 0 424.482 4.562 50 5 HJBARN Cc1nc2c3c4c(sc3n3c(SCCc5ccccc5)nnc3n2n1)CCCC4 ZINC000009345401 571250151 /nfs/dbraw/zinc/25/01/51/571250151.db2.gz VXRTYJYSHRLEJG-UHFFFAOYSA-N 0 0 420.567 4.509 50 5 HJBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Sc2nc3ccccc3[nH]2)cc1 ZINC000009792849 571285646 /nfs/dbraw/zinc/28/56/46/571285646.db2.gz RZRRUDCMCLOQKV-UHFFFAOYSA-N 0 0 420.450 4.640 50 5 HJBARN CCCn1c2ccccc2nc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000005827192 571307414 /nfs/dbraw/zinc/30/74/14/571307414.db2.gz TUFVSTBNYSXQOC-UHFFFAOYSA-N 0 0 407.474 4.597 50 5 HJBARN O=[N+]([O-])c1cccc(-c2nc3ccccc3c(N3CCN(c4ccccc4)CC3)n2)c1 ZINC000001137846 132238533 /nfs/dbraw/zinc/23/85/33/132238533.db2.gz DQULOUZZRPYJPU-UHFFFAOYSA-N 0 0 411.465 4.532 50 5 HJBARN O=C(c1ccccc1)c1ccc(Nc2cccc(N3CCOC3=O)c2)c([N+](=O)[O-])c1 ZINC000032824996 526798392 /nfs/dbraw/zinc/79/83/92/526798392.db2.gz VALOYCRCAUCKMU-UHFFFAOYSA-N 0 0 403.394 4.526 50 5 HJBARN O=C1CCCN1Cc1ccc(-c2ccccc2CNc2ccccc2[N+](=O)[O-])cc1 ZINC000032906794 526977529 /nfs/dbraw/zinc/97/75/29/526977529.db2.gz NJMFNPIUGHXCHD-UHFFFAOYSA-N 0 0 401.466 4.996 50 5 HJBARN Cc1nc2c(c3ccccn3c2C(=O)c2ccccc2)c2nc3ccc([N+](=O)[O-])cc3n21 ZINC000031848401 527095798 /nfs/dbraw/zinc/09/57/98/527095798.db2.gz DBRGBZQPEKGUMN-UHFFFAOYSA-N 0 0 421.416 4.736 50 5 HJBARN CCCOc1ccc([C@H]2Oc3ccc(Br)cc3C=C2[N+](=O)[O-])cc1OC ZINC000002471689 557351103 /nfs/dbraw/zinc/35/11/03/557351103.db2.gz KMGSKGITAQQSSQ-LJQANCHMSA-N 0 0 420.259 4.998 50 5 HJBARN O=C(Nc1nc(-c2ccc(Br)s2)cs1)c1ccc([N+](=O)[O-])s1 ZINC000010573129 557704643 /nfs/dbraw/zinc/70/46/43/557704643.db2.gz SPGCLKPYSWHJEM-UHFFFAOYSA-N 0 0 416.303 4.856 50 5 HJBARN O=c1c2c3nc4ccccc4nc3n(C3CCCCC3)c2ncn1Cc1ccccc1 ZINC000006700923 557716175 /nfs/dbraw/zinc/71/61/75/557716175.db2.gz MFWYDBQECHAMCE-UHFFFAOYSA-N 0 0 409.493 4.848 50 5 HJBARN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000004335998 558262141 /nfs/dbraw/zinc/26/21/41/558262141.db2.gz MPIZJMUHOYPPNX-UHFFFAOYSA-N 0 0 404.266 4.835 50 5 HJBARN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cccc(NC(=O)c2ccccc2)c1 ZINC000072011683 558423060 /nfs/dbraw/zinc/42/30/60/558423060.db2.gz HEOAKFUYVXMPRV-CQSZACIVSA-N 0 0 423.856 4.992 50 5 HJBARN Cc1c(NC(=O)CNc2cc(C(F)(F)F)ccc2N2CCCC2)cccc1[N+](=O)[O-] ZINC000010845192 558492442 /nfs/dbraw/zinc/49/24/42/558492442.db2.gz AWODGPAYGVGMGM-UHFFFAOYSA-N 0 0 422.407 4.573 50 5 HJBARN COc1ccc2oc(-c3csc(NC(=O)c4ccc([N+](=O)[O-])s4)n3)cc2c1 ZINC000010882591 558537703 /nfs/dbraw/zinc/53/77/03/558537703.db2.gz FPVRQLMSICFBBP-UHFFFAOYSA-N 0 0 401.425 4.787 50 5 HJBARN CCCCOCCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000072288262 558719694 /nfs/dbraw/zinc/71/96/94/558719694.db2.gz RZCJXYHJGNNLTE-UHFFFAOYSA-N 0 0 421.291 4.821 50 5 HJBARN Cc1cccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000013758921 558865426 /nfs/dbraw/zinc/86/54/26/558865426.db2.gz PYPKBRHVDMLEHF-UHFFFAOYSA-N 0 0 413.433 4.592 50 5 HJBARN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000011227570 558892371 /nfs/dbraw/zinc/89/23/71/558892371.db2.gz TZGVPPFLBIECKF-UHFFFAOYSA-N 0 0 409.377 4.572 50 5 HJBARN Cc1c(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cccc1[N+](=O)[O-] ZINC000011227609 558892470 /nfs/dbraw/zinc/89/24/70/558892470.db2.gz SBDXEXMPRJAHPF-UHFFFAOYSA-N 0 0 405.414 4.741 50 5 HJBARN Cc1ccc(C(=O)COC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1C ZINC000004701915 558906621 /nfs/dbraw/zinc/90/66/21/558906621.db2.gz LVFPVZCZBWHHOX-UHFFFAOYSA-N 0 0 404.422 4.995 50 5 HJBARN Cc1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cccc1-c1nc2ccccc2o1 ZINC000013898101 558937892 /nfs/dbraw/zinc/93/78/92/558937892.db2.gz QMSDVAMHZKAZPF-UHFFFAOYSA-N 0 0 418.365 4.872 50 5 HJBARN Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000004810939 559068755 /nfs/dbraw/zinc/06/87/55/559068755.db2.gz WFXSMDRWPCHBRL-UHFFFAOYSA-N 0 0 412.877 4.767 50 5 HJBARN Cc1ccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000004817979 559068951 /nfs/dbraw/zinc/06/89/51/559068951.db2.gz NRPUZZWVEWAXMJ-UHFFFAOYSA-N 0 0 414.508 4.996 50 5 HJBARN O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)c1ccc(Cc2ccccc2)cc1 ZINC000011617412 559115649 /nfs/dbraw/zinc/11/56/49/559115649.db2.gz DXTGLQCNSYMEFV-UHFFFAOYSA-N 0 0 416.462 4.956 50 5 HJBARN CCCCC(=O)Nc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000004821404 559124169 /nfs/dbraw/zinc/12/41/69/559124169.db2.gz UBPQJFHSWTXMKS-UHFFFAOYSA-N 0 0 410.474 4.576 50 5 HJBARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004821164 559124399 /nfs/dbraw/zinc/12/43/99/559124399.db2.gz ZDNAAHPYBPUWQW-KRWDZBQOSA-N 0 0 417.465 4.598 50 5 HJBARN O=C(Nc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)cc1)c1ccccc1 ZINC000004832826 559163161 /nfs/dbraw/zinc/16/31/61/559163161.db2.gz DIVPUFJYJGXESM-UHFFFAOYSA-N 0 0 410.813 4.858 50 5 HJBARN CC1CCN(c2ccc(C(=O)OCC(=O)c3cc4ccccc4o3)cc2[N+](=O)[O-])CC1 ZINC000014360747 559164799 /nfs/dbraw/zinc/16/47/99/559164799.db2.gz HRSXHHIIKTZGGV-UHFFFAOYSA-N 0 0 422.437 4.617 50 5 HJBARN CCCCOCCN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000072288267 559171662 /nfs/dbraw/zinc/17/16/62/559171662.db2.gz PYTAUVMAJZUQBB-UHFFFAOYSA-N 0 0 421.291 4.821 50 5 HJBARN COc1ccc2nc3ccccc3nc2c1NC(=O)c1ccccc1Br ZINC000004844311 559179165 /nfs/dbraw/zinc/17/91/65/559179165.db2.gz KUUNFLKALSWWHJ-UHFFFAOYSA-N 0 0 408.255 4.806 50 5 HJBARN COc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1cccc([N+](=O)[O-])c1)O2 ZINC000004858265 559192774 /nfs/dbraw/zinc/19/27/74/559192774.db2.gz VTKZDTUTWZFSRQ-GGAORHGYSA-N 0 0 401.422 4.846 50 5 HJBARN CCCCCn1c2nc3ccccc3nc2c2c1ncn(Cc1cccs1)c2=O ZINC000005030641 559230846 /nfs/dbraw/zinc/23/08/46/559230846.db2.gz MKJPHOUTHYHPPH-UHFFFAOYSA-N 0 0 403.511 4.594 50 5 HJBARN COc1ccc(C=C2SC(=S)NC2=O)cc1OCc1ccccc1[N+](=O)[O-] ZINC000033708934 559231900 /nfs/dbraw/zinc/23/19/00/559231900.db2.gz XZBWWVIZGOMHTD-SXGWCWSVSA-N 0 0 402.453 4.512 50 5 HJBARN COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccc(OCc2ccccc2)cc1 ZINC000005041969 559235544 /nfs/dbraw/zinc/23/55/44/559235544.db2.gz XFFRWOQRDFEXJA-UHFFFAOYSA-N 0 0 409.467 4.991 50 5 HJBARN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000005102490 559245559 /nfs/dbraw/zinc/24/55/59/559245559.db2.gz MCUQNGWMAVDSOO-UHFFFAOYSA-N 0 0 407.817 4.543 50 5 HJBARN Cc1cc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1Br ZINC000005119359 559247544 /nfs/dbraw/zinc/24/75/44/559247544.db2.gz AEMANZSLLMUAOY-SNVBAGLBSA-N 0 0 412.671 4.758 50 5 HJBARN COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc([N+](=O)[O-])c2)c1 ZINC000248182517 559268429 /nfs/dbraw/zinc/26/84/29/559268429.db2.gz FIJUYMJOTUDCJO-GMAHTHKFSA-N 0 0 401.422 4.846 50 5 HJBARN COc1ccc2sc(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])o3)nc2c1 ZINC000005299698 560564024 /nfs/dbraw/zinc/56/40/24/560564024.db2.gz MBPTUYCCXPJFAZ-UHFFFAOYSA-N 0 0 409.423 4.653 50 5 HJBARN Cc1ccc(-c2c(=O)c3ccccc3n(C)c2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000005321737 560568287 /nfs/dbraw/zinc/56/82/87/560568287.db2.gz VLXSFHXGDVTYCS-UHFFFAOYSA-N 0 0 413.433 4.674 50 5 HJBARN Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000005379589 560573088 /nfs/dbraw/zinc/57/30/88/560573088.db2.gz PWDTZKZRSONVHB-UHFFFAOYSA-N 0 0 405.241 4.707 50 5 HJBARN O=[N+]([O-])c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000005576784 560624586 /nfs/dbraw/zinc/62/45/86/560624586.db2.gz UEXIVPKUBVSPOF-CVDCTZTESA-N 0 0 415.405 4.566 50 5 HJBARN Cc1nn([C@@H]2CCOC(C)(C)C2)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)SCC(=O)N2 ZINC000017246821 560704851 /nfs/dbraw/zinc/70/48/51/560704851.db2.gz VJLFXQVWARDSSI-CRAIPNDOSA-N 0 0 416.503 4.654 50 5 HJBARN O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000018046082 560774384 /nfs/dbraw/zinc/77/43/84/560774384.db2.gz FBJWYSYZIRRIOH-CJRSTVEYSA-N 0 0 424.456 4.838 50 5 HJBARN O=C1CCCC2=Nc3ncnn3[C@@H](c3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C12 ZINC000102580925 560816864 /nfs/dbraw/zinc/81/68/64/560816864.db2.gz ZGXIXIROCOJCLJ-FQEVSTJZSA-N 0 0 421.388 4.789 50 5 HJBARN O=C1c2n[nH]c(-c3ccc([N+](=O)[O-])cc3)c2[C@@H](c2ccccc2F)N1c1ccccc1 ZINC000108808407 568419626 /nfs/dbraw/zinc/41/96/26/568419626.db2.gz LTYZSWGTQJPIQA-JOCHJYFZSA-N 0 0 414.396 4.874 50 5 HJBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CNc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000000711478 568465297 /nfs/dbraw/zinc/46/52/97/568465297.db2.gz WXVPYFWILLPVAJ-UHFFFAOYSA-N 0 0 423.812 4.706 50 5 HJBARN Cc1ccc(N[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)c(C)c1 ZINC000000837040 568515054 /nfs/dbraw/zinc/51/50/54/568515054.db2.gz BCVAXYOOQLGPBY-MRXNPFEDSA-N 0 0 416.692 4.750 50 5 HJBARN Cn1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCC2)cn1 ZINC000095477198 568630961 /nfs/dbraw/zinc/63/09/61/568630961.db2.gz UAANMJAOQUUWJA-UHFFFAOYSA-N 0 0 403.442 4.648 50 5 HJBARN Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2cc(Cl)ccc2Cl)s1 ZINC000000948843 568754838 /nfs/dbraw/zinc/75/48/38/568754838.db2.gz HEILCTQMJMMPJY-UHFFFAOYSA-N 0 0 409.254 4.860 50 5 HJBARN Cc1ccc(C)c(N[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)c1 ZINC000000973380 568758987 /nfs/dbraw/zinc/75/89/87/568758987.db2.gz AXIHBEALLFZARK-INIZCTEOSA-N 0 0 416.692 4.750 50 5 HJBARN O=C(CSc1ccccc1)Nc1cc(OCC(F)(F)C(F)F)cc([N+](=O)[O-])c1 ZINC000001002363 568762253 /nfs/dbraw/zinc/76/22/53/568762253.db2.gz FWFDUPJKYCWQBR-UHFFFAOYSA-N 0 0 418.368 4.605 50 5 HJBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1 ZINC000001053211 568764266 /nfs/dbraw/zinc/76/42/66/568764266.db2.gz MVBMTIXJUDEZHE-NYYWCZLTSA-N 0 0 419.828 4.634 50 5 HJBARN Cc1cccc(C(=O)Oc2c(Br)cc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000001042528 568764417 /nfs/dbraw/zinc/76/44/17/568764417.db2.gz ATVWYWINJASMJD-UHFFFAOYSA-N 0 0 404.138 4.904 50 5 HJBARN O=C(NC(=S)Nc1cccc2cccnc21)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001065413 568766024 /nfs/dbraw/zinc/76/60/24/568766024.db2.gz NXPHRBIBRATVKP-UHFFFAOYSA-N 0 0 418.434 4.530 50 5 HJBARN Cn1c2ccccc2c2nnc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc21 ZINC000001070103 568766291 /nfs/dbraw/zinc/76/62/91/568766291.db2.gz QDOJRNCPOMCGBZ-UHFFFAOYSA-N 0 0 405.361 4.595 50 5 HJBARN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000001109767 568768704 /nfs/dbraw/zinc/76/87/04/568768704.db2.gz HRAXPCFVLJRAKV-UHFFFAOYSA-N 0 0 414.421 4.708 50 5 HJBARN COc1cc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)C(C)C ZINC000001101328 568770031 /nfs/dbraw/zinc/77/00/31/568770031.db2.gz FTBSTKWZCUIWHY-UHFFFAOYSA-N 0 0 423.425 4.710 50 5 HJBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000001113640 568770577 /nfs/dbraw/zinc/77/05/77/568770577.db2.gz FQWLFKXLSZGZCF-UHFFFAOYSA-N 0 0 421.291 4.981 50 5 HJBARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000001140214 568772091 /nfs/dbraw/zinc/77/20/91/568772091.db2.gz AVGFHAHKLLTANP-UHFFFAOYSA-N 0 0 414.414 4.891 50 5 HJBARN CC(=O)c1sc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000002709778 568801739 /nfs/dbraw/zinc/80/17/39/568801739.db2.gz PUFQADHIKZCLNE-UHFFFAOYSA-N 0 0 401.831 4.827 50 5 HJBARN CCOc1ccc(C(=O)Nc2cc(OCC(F)(F)C(F)F)cc([N+](=O)[O-])c2)cc1 ZINC000002764388 568807169 /nfs/dbraw/zinc/80/71/69/568807169.db2.gz KSNYZSMYMXNIOA-UHFFFAOYSA-N 0 0 416.327 4.525 50 5 HJBARN Cc1ccc(OCc2cccc(-c3nc4c5ccccc5ncn4n3)c2)c([N+](=O)[O-])c1 ZINC000002808001 568810951 /nfs/dbraw/zinc/81/09/51/568810951.db2.gz CCBMVYMPHWEAFL-UHFFFAOYSA-N 0 0 411.421 4.740 50 5 HJBARN C[C@H](NC(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000002825974 568812162 /nfs/dbraw/zinc/81/21/62/568812162.db2.gz XUPNLKDYUUFSPL-IRXDYDNUSA-N 0 0 417.465 4.577 50 5 HJBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCSCc1c(Cl)cccc1Cl ZINC000002818320 568812187 /nfs/dbraw/zinc/81/21/87/568812187.db2.gz RYVGOUWFJQCQDU-BQYQJAHWSA-N 0 0 411.310 4.964 50 5 HJBARN O=C(Nc1nnc(CSCc2ccc(Cl)cc2)s1)c1cccc([N+](=O)[O-])c1 ZINC000002844447 568812832 /nfs/dbraw/zinc/81/28/32/568812832.db2.gz JPRJHJTVFVUJNP-UHFFFAOYSA-N 0 0 420.903 4.785 50 5 aggregator HJBARN COc1cccc(C2(c3cccc(OC)c3)C[C@H]2C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000001187009 568821880 /nfs/dbraw/zinc/82/18/80/568821880.db2.gz ZUVSQCKCPGWHPP-QFIPXVFZSA-N 0 0 418.449 4.557 50 5 HJBARN O=C(Nc1nc(-c2ccccc2)cs1)c1cc([N+](=O)[O-])ccc1Br ZINC000001202241 568823212 /nfs/dbraw/zinc/82/32/12/568823212.db2.gz DDFJKVYJKKCSOD-UHFFFAOYSA-N 0 0 404.245 4.733 50 5 HJBARN CCOc1ccccc1N1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O ZINC000001210942 568824438 /nfs/dbraw/zinc/82/44/38/568824438.db2.gz PFULEQCVIKRDJE-UHFFFAOYSA-N 0 0 404.378 4.586 50 5 HJBARN Cc1cc2nc(-c3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3O)oc2cc1C ZINC000001210896 568824439 /nfs/dbraw/zinc/82/44/39/568824439.db2.gz UCLPVSYXQVYYCA-UHFFFAOYSA-N 0 0 403.394 4.978 50 5 HJBARN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000002985134 568833068 /nfs/dbraw/zinc/83/30/68/568833068.db2.gz AQKAFVFPJQZNMK-UHFFFAOYSA-N 0 0 407.879 4.554 50 5 HJBARN COc1ccccc1[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nccn1C ZINC000012550873 568852920 /nfs/dbraw/zinc/85/29/20/568852920.db2.gz PFBJAQGLLXPUQR-QGZVFWFLSA-N 0 0 406.364 4.557 50 5 HJBARN COc1ccc(C2=NN(C(=O)c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000001307260 568913743 /nfs/dbraw/zinc/91/37/43/568913743.db2.gz KBLHBVPAEBBJKD-QFIPXVFZSA-N 0 0 401.422 4.595 50 5 HJBARN COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2[N+](=O)[O-])c1 ZINC000025782363 568914881 /nfs/dbraw/zinc/91/48/81/568914881.db2.gz ZNPMGNOOXNMBEG-JTHBVZDNSA-N 0 0 401.422 4.846 50 5 HJBARN COC(=O)c1sc2cc([N+](=O)[O-])cc(SCc3ccccc3)c2c1NC(C)=O ZINC000003618744 568919975 /nfs/dbraw/zinc/91/99/75/568919975.db2.gz DWZMXDXGGCCWBO-UHFFFAOYSA-N 0 0 416.480 4.847 50 5 HJBARN COc1cccc2c1O[C@@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c3ccc(C)o3)C[C@H]21 ZINC000001407919 568928527 /nfs/dbraw/zinc/92/85/27/568928527.db2.gz PUSKRQCKMPAHMR-GCJKJVERSA-N 0 0 405.410 4.747 50 5 HJBARN O=C(CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)Nc1ccccc1 ZINC000012779854 568956882 /nfs/dbraw/zinc/95/68/82/568956882.db2.gz SDUSQTFMDGUJQI-UHFFFAOYSA-N 0 0 409.829 4.534 50 5 HJBARN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000006083488 568996713 /nfs/dbraw/zinc/99/67/13/568996713.db2.gz AJTNUMPYNLLMFC-LLVKDONJSA-N 0 0 415.799 4.726 50 5 HJBARN Cc1nc(COc2cccc(C(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)c2)cs1 ZINC000012866691 569012171 /nfs/dbraw/zinc/01/21/71/569012171.db2.gz LGPQVIPKUOCEMC-AWEZNQCLSA-N 0 0 411.483 4.772 50 5 HJBARN Cc1ccc([N+](=O)[O-])c(NC(=O)CN(Cc2c(F)cccc2Cl)C2CC2)c1C ZINC000012867752 569012241 /nfs/dbraw/zinc/01/22/41/569012241.db2.gz IMESGMUCONMLFR-UHFFFAOYSA-N 0 0 405.857 4.607 50 5 HJBARN O=C(Nc1ccc(N2CCc3sccc3C2)nc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000012946218 569029110 /nfs/dbraw/zinc/02/91/10/569029110.db2.gz ISAPXPJPNVHWTN-UHFFFAOYSA-N 0 0 414.874 4.520 50 5 HJBARN Cc1nc(-c2ccc(CCNC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cs1 ZINC000012982876 569047307 /nfs/dbraw/zinc/04/73/07/569047307.db2.gz XRNPAJQBZCXEDP-UHFFFAOYSA-N 0 0 401.875 4.653 50 5 HJBARN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000013007039 569049710 /nfs/dbraw/zinc/04/97/10/569049710.db2.gz QXIHABSDJFDKGJ-NRFANRHFSA-N 0 0 410.520 4.923 50 5 HJBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2O[C@@H](C)C(=O)N2CCc3ccccc32)cc1 ZINC000006537497 569064381 /nfs/dbraw/zinc/06/43/81/569064381.db2.gz WDBGAAVUWLOMCU-INIZCTEOSA-N 0 0 418.449 4.627 50 5 HJBARN COc1ccc(CN2COc3c(C)c4oc(=O)c5ccccc5c4cc3C2)cc1OC ZINC000054278226 569064545 /nfs/dbraw/zinc/06/45/45/569064545.db2.gz FWZVGVUFRMRULZ-UHFFFAOYSA-N 0 0 417.461 4.624 50 5 biogenic HJBARN COc1ccccc1NC(=O)c1cc([N+](=O)[O-])c(Nc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000016677328 569070130 /nfs/dbraw/zinc/07/01/30/569070130.db2.gz SWHWRTXJGWOMBQ-UHFFFAOYSA-N 0 0 422.397 4.816 50 5 HJBARN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2cccc(Cl)c2)c2ccc(F)cc2)cc1 ZINC000036247429 569117048 /nfs/dbraw/zinc/11/70/48/569117048.db2.gz VVRDSDAPIKLILJ-UHFFFAOYSA-N 0 0 420.849 4.783 50 5 HJBARN Cn1c2ccccc2c(=O)c2c(=O)n(-c3cccc(Cl)c3)c(C3CCCCC3)nc21 ZINC000006815154 569137483 /nfs/dbraw/zinc/13/74/83/569137483.db2.gz FWEQAEDOKUQTFO-UHFFFAOYSA-N 0 0 419.912 4.939 50 5 HJBARN COC(=O)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@H]32)cc1 ZINC000239297040 569232364 /nfs/dbraw/zinc/23/23/64/569232364.db2.gz DPPVYLGWQXIIRM-PUHATCMVSA-N 0 0 400.434 4.852 50 5 HJBARN CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(C2CCCCC2)s1 ZINC000016722546 569261546 /nfs/dbraw/zinc/26/15/46/569261546.db2.gz WZJDCZNHQZMUBK-UHFFFAOYSA-N 0 0 403.508 4.593 50 5 HJBARN Cc1ccc(OCc2ccc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)o2)c([N+](=O)[O-])c1 ZINC000002102600 569281226 /nfs/dbraw/zinc/28/12/26/569281226.db2.gz UTPBEFWTLGZGJG-UHFFFAOYSA-N 0 0 411.370 4.544 50 5 HJBARN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000002145035 569288948 /nfs/dbraw/zinc/28/89/48/569288948.db2.gz XCOFOOMMBSRGBQ-UHFFFAOYSA-N 0 0 407.879 4.554 50 5 HJBARN O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000027348611 569294477 /nfs/dbraw/zinc/29/44/77/569294477.db2.gz UPJIKPGTGPBWTA-INIZCTEOSA-N 0 0 423.256 4.537 50 5 HJBARN Cc1cc(C)cc(-n2c(=O)c3c(=O)c4ccccc4n(C)c3nc2C2CCCCC2)c1 ZINC000002196611 569294684 /nfs/dbraw/zinc/29/46/84/569294684.db2.gz FGBZNYWXMXCLGH-UHFFFAOYSA-N 0 0 413.521 4.902 50 5 HJBARN O=[N+]([O-])c1ccc(CN2CCCn3cccc3[C@@H]2c2cc(F)c(F)cc2F)cc1 ZINC000037523223 569302930 /nfs/dbraw/zinc/30/29/30/569302930.db2.gz NCAMQBTYJRHPHP-NRFANRHFSA-N 0 0 401.388 4.809 50 5 HJBARN O=[N+]([O-])c1ccc(CN2CCCn3cccc3[C@H]2c2cc(F)c(F)cc2F)cc1 ZINC000037523222 569302938 /nfs/dbraw/zinc/30/29/38/569302938.db2.gz NCAMQBTYJRHPHP-OAQYLSRUSA-N 0 0 401.388 4.809 50 5 HJBARN O=[N+]([O-])c1ccccc1CN1CCCn2cccc2[C@H]1c1cc(F)c(F)cc1F ZINC000037523787 569303669 /nfs/dbraw/zinc/30/36/69/569303669.db2.gz 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CCCCCn1c(=O)c2c(=O)c3ccc(OC)cc3oc2nc1-c1ccc(F)cc1 ZINC000002356821 569385482 /nfs/dbraw/zinc/38/54/82/569385482.db2.gz KOUPURAWMAJVKU-UHFFFAOYSA-N 0 0 408.429 4.508 50 5 HJBARN O=C(Nc1ccc(Br)cc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000012855448 569404000 /nfs/dbraw/zinc/40/40/00/569404000.db2.gz CYBZBQRGAYZXMT-UHFFFAOYSA-N 0 0 424.682 4.863 50 5 HJBARN CC1CCN(c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2[N+](=O)[O-])CC1 ZINC000013129300 569409619 /nfs/dbraw/zinc/40/96/19/569409619.db2.gz QZGLLLXMUPVWJM-UHFFFAOYSA-N 0 0 423.391 4.982 50 5 HJBARN CCOc1ccc2nc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])sc2c1 ZINC000079024345 569424570 /nfs/dbraw/zinc/42/45/70/569424570.db2.gz BNWHJVFKOFEDKN-UHFFFAOYSA-N 0 0 422.260 4.618 50 5 HJBARN COc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1Cl ZINC000008754089 571113016 /nfs/dbraw/zinc/11/30/16/571113016.db2.gz JBMMJZYEHLJAKK-UHFFFAOYSA-N 0 0 403.847 4.941 50 5 HJBARN O=c1c2ccccc2nc(-c2ccccc2[N+](=O)[O-])n1-c1ccc(Br)cc1 ZINC000008837727 571123265 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568831781 /nfs/dbraw/zinc/83/17/81/568831781.db2.gz OEDHZBGNEFUSOX-UHFFFAOYSA-N 0 0 409.492 4.707 50 5 HJBARN COc1cccc(-c2cc(CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C(C)C)no2)c1 ZINC000034922366 568832870 /nfs/dbraw/zinc/83/28/70/568832870.db2.gz SGYCZZCRVOSZBV-UHFFFAOYSA-N 0 0 410.430 4.701 50 5 HJBARN CCN(CC)C(=O)c1ccc(Sc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000003015306 568838567 /nfs/dbraw/zinc/83/85/67/568838567.db2.gz CWSMDAYPMBPZRO-UHFFFAOYSA-N 0 0 409.305 4.991 50 5 HJBARN CN(CC(=O)Nc1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000012522201 568842007 /nfs/dbraw/zinc/84/20/07/568842007.db2.gz DROUUUNOMOGLKY-UHFFFAOYSA-N 0 0 405.241 4.525 50 5 HJBARN Cc1ccc(N[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c(C)c1 ZINC000003091906 568854805 /nfs/dbraw/zinc/85/48/05/568854805.db2.gz GRHVDRMWUHOIQU-INIZCTEOSA-N 0 0 416.692 4.750 50 5 HJBARN O=C(N[C@@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000003118674 568856062 /nfs/dbraw/zinc/85/60/62/568856062.db2.gz RVHLVZIOUQAPDJ-CQSZACIVSA-N 0 0 423.083 4.786 50 5 HJBARN O=C(c1ccc2c(c1)C(=O)N(c1ccc3ccccc3c1)C2=O)c1cccc([N+](=O)[O-])c1 ZINC000003195138 568860896 /nfs/dbraw/zinc/86/08/96/568860896.db2.gz ZFVUZOJMOHJUKX-UHFFFAOYSA-N 0 0 422.396 4.780 50 5 HJBARN C[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000012621135 568877324 /nfs/dbraw/zinc/87/73/24/568877324.db2.gz UWKRAXYZCHAWRN-MRVPVSSYSA-N 0 0 417.632 4.739 50 5 HJBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1Br ZINC000003309054 568877693 /nfs/dbraw/zinc/87/76/93/568877693.db2.gz LJMQFXFVUFUMBO-UHFFFAOYSA-N 0 0 409.286 4.942 50 5 HJBARN O=C(N[C@H](Sc1ccccc1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000001232893 568880778 /nfs/dbraw/zinc/88/07/78/568880778.db2.gz ARYBHBSMPRKQOS-CQSZACIVSA-N 0 0 405.690 4.813 50 5 HJBARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Sc1nncs1 ZINC000058179811 568896168 /nfs/dbraw/zinc/89/61/68/568896168.db2.gz UUGAUFFXAMVJCG-LLVKDONJSA-N 0 0 418.525 4.717 50 5 HJBARN CCOC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CCCCC2 ZINC000004134793 568915826 /nfs/dbraw/zinc/91/58/26/568915826.db2.gz IUJFGCVYQMBNPT-VAWYXSNFSA-N 0 0 414.483 4.754 50 5 HJBARN C[C@@H](NC(=O)c1cc2c(nc1C(F)(F)F)oc1ccccc1c2=O)c1ccccc1 ZINC000001399847 568925995 /nfs/dbraw/zinc/92/59/95/568925995.db2.gz GIDPDCBPZWGNOK-GFCCVEGCSA-N 0 0 412.367 4.851 50 5 HJBARN CCOC(=O)c1sc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)cc1C ZINC000004194703 568934885 /nfs/dbraw/zinc/93/48/85/568934885.db2.gz NWQPDLHKDWTTOT-UHFFFAOYSA-N 0 0 407.447 4.745 50 5 HJBARN Cc1cccc(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)c1[N+](=O)[O-] ZINC000084225741 568944674 /nfs/dbraw/zinc/94/46/74/568944674.db2.gz HVTCESWWHHMOOM-UHFFFAOYSA-N 0 0 423.296 4.688 50 5 HJBARN CC(=O)Oc1cc2sc3cc(C)ccc3[nH]c2c2c(=O)c3ccccc3c(=O)c12 ZINC000004310754 568960831 /nfs/dbraw/zinc/96/08/31/568960831.db2.gz SPUPRFZMNKGCSP-UHFFFAOYSA-N 0 0 401.443 4.643 50 5 biogenic HJBARN Cc1oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2c(=O)c1-c1ccccc1 ZINC000001447962 568985178 /nfs/dbraw/zinc/98/51/78/568985178.db2.gz CPHLXGMOEDFMPF-UHFFFAOYSA-N 0 0 401.374 4.896 50 5 HJBARN CN1c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2Sc2ccccc2C1=O ZINC000015826049 569011447 /nfs/dbraw/zinc/01/14/47/569011447.db2.gz XJYGBLQVNDRERH-UHFFFAOYSA-N 0 0 405.435 4.588 50 5 HJBARN O=C1NC(=S)SC1=Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000035315154 569031334 /nfs/dbraw/zinc/03/13/34/569031334.db2.gz GWVNLRQBKQFJBV-AUWJEWJLSA-N 0 0 403.397 4.624 50 5 HJBARN CC(C)c1ccc(-c2noc(CCC(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000013009019 569049921 /nfs/dbraw/zinc/04/99/21/569049921.db2.gz FCPFDDZKVYZWNM-INIZCTEOSA-N 0 0 422.485 4.920 50 5 HJBARN O=[N+]([O-])c1ccc(Sc2nnc(-c3ccco3)n2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000001829096 569056286 /nfs/dbraw/zinc/05/62/86/569056286.db2.gz TZHLKYBLBJQDOP-UHFFFAOYSA-N 0 0 423.410 4.554 50 5 HJBARN CCCCOc1ccc2c(c1)c1ccnc3c1n2c(=O)c1c3ccc(OC)c1OC ZINC000006624535 569061107 /nfs/dbraw/zinc/06/11/07/569061107.db2.gz LJTIVSWBIGWILR-UHFFFAOYSA-N 0 0 402.450 4.788 50 5 biogenic HJBARN Cc1cccc(N([C@H](C)c2ccccc2F)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000036247781 569117104 /nfs/dbraw/zinc/11/71/04/569117104.db2.gz XOZDTWSJMNQPBT-MRXNPFEDSA-N 0 0 414.458 4.999 50 5 HJBARN CN(Cc1ccccc1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000006774259 569118344 /nfs/dbraw/zinc/11/83/44/569118344.db2.gz KWUCWMJZXYCOCT-UHFFFAOYSA-N 0 0 412.449 4.720 50 5 HJBARN O=C(OCc1nc2ccccc2c2ccccc12)c1ccc(CN2CCCC2=O)cc1 ZINC000006821123 569140450 /nfs/dbraw/zinc/14/04/50/569140450.db2.gz WTUKQXJMKQPZQS-UHFFFAOYSA-N 0 0 410.473 4.867 50 5 HJBARN CCc1ccc([C@@H]2c3cccn3CCCN2Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000036348093 569144373 /nfs/dbraw/zinc/14/43/73/569144373.db2.gz QFACGZMRLAVWQZ-XMMPIXPASA-N 0 0 405.498 4.963 50 5 HJBARN O=C(NCc1cccc(COCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000036392520 569167603 /nfs/dbraw/zinc/16/76/03/569167603.db2.gz SNQKMLBSZZJLLR-UHFFFAOYSA-N 0 0 410.857 4.895 50 5 HJBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000036757153 569227047 /nfs/dbraw/zinc/22/70/47/569227047.db2.gz ZKANSBSIKFIJPH-HXUWFJFHSA-N 0 0 413.524 4.612 50 5 HJBARN COc1ccccc1-c1nc(-c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)no1 ZINC000037278928 569246152 /nfs/dbraw/zinc/24/61/52/569246152.db2.gz IDELSIDZJQBEBM-UHFFFAOYSA-N 0 0 403.394 4.899 50 5 HJBARN Cc1nc(N[C@H](C)c2nc(-c3ccc(Br)cc3)c[nH]2)ccc1[N+](=O)[O-] ZINC000170616197 569247423 /nfs/dbraw/zinc/24/74/23/569247423.db2.gz ZDPQNYVNXKKYED-LLVKDONJSA-N 0 0 402.252 4.624 50 5 HJBARN CCn1cnc2c1nc(N1CC[C@H]3CCCC[C@H]3C1)nc2Nc1cccc([N+](=O)[O-])c1 ZINC000249698954 569255387 /nfs/dbraw/zinc/25/53/87/569255387.db2.gz WKVMTXJWGZKVOF-CVEARBPZSA-N 0 0 421.505 4.515 50 5 HJBARN CCCCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 ZINC000002089841 569277949 /nfs/dbraw/zinc/27/79/49/569277949.db2.gz PQXUNVFLUUMHBZ-UHFFFAOYSA-N 0 0 402.472 4.744 50 5 HJBARN Cc1cccc2c3nc4ccccc4nc3n(CCOC(=O)COc3ccccc3)c21 ZINC000002193928 569293919 /nfs/dbraw/zinc/29/39/19/569293919.db2.gz ZAFPLELFYSBQOB-UHFFFAOYSA-N 0 0 411.461 4.668 50 5 HJBARN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CCCc2ccccc21 ZINC000007780469 569309625 /nfs/dbraw/zinc/30/96/25/569309625.db2.gz ZJFKTJCZBJGALS-HNNXBMFYSA-N 0 0 410.417 4.900 50 5 HJBARN O=c1c2ccccc2oc2nc(-c3ccc(Cl)cc3)n(-c3ccccc3)c(=O)c12 ZINC000002227711 569317283 /nfs/dbraw/zinc/31/72/83/569317283.db2.gz UPYULDHPJYTWFY-UHFFFAOYSA-N 0 0 400.821 4.813 50 5 HJBARN O=[N+]([O-])c1cccc(-c2csc(=Nc3cc(Cl)ccc3Cl)n2CCO)c1 ZINC000252668232 569319095 /nfs/dbraw/zinc/31/90/95/569319095.db2.gz FACNDMUTQDGZGX-UHFFFAOYSA-N 0 0 410.282 4.656 50 5 HJBARN Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCCCC3)c(-c3cccs3)nc21 ZINC000002241504 569323611 /nfs/dbraw/zinc/32/36/11/569323611.db2.gz LHBSUIMMLOMRMT-UHFFFAOYSA-N 0 0 405.523 4.872 50 5 HJBARN COc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccn2)cc1 ZINC000002351219 569381206 /nfs/dbraw/zinc/38/12/06/569381206.db2.gz BGMBJHKIFLOQBF-UHFFFAOYSA-N 0 0 419.466 4.538 50 5 HJBARN COc1ccc2cc(-c3c4cnn(C)c4nc4c5ccc(O)cc5oc43)c(=O)[nH]c2c1 ZINC000253623597 569383183 /nfs/dbraw/zinc/38/31/83/569383183.db2.gz AEAWTHLCVYXBHL-UHFFFAOYSA-N 0 0 412.405 4.503 50 5 biogenic HJBARN COC(=O)c1cccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc32)c1 ZINC000009059078 569391413 /nfs/dbraw/zinc/39/14/13/569391413.db2.gz UPBAXBXZNUMTHE-UHFFFAOYSA-N 0 0 400.394 4.735 50 5 HJBARN Cc1ccn2cc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3)nc2n1 ZINC000009572090 569393600 /nfs/dbraw/zinc/39/36/00/569393600.db2.gz HITHMFVHWOEQMJ-UHFFFAOYSA-N 0 0 407.817 4.519 50 5 HJBARN CCCn1c(C)nc2c(c3nc4ccccc4nc3n2Cc2ccccc2Cl)c1=O ZINC000002410824 569396823 /nfs/dbraw/zinc/39/68/23/569396823.db2.gz RHTKWTKMPNRWOK-UHFFFAOYSA-N 0 0 417.900 4.715 50 5 HJBARN O=[N+]([O-])c1ccc(/C=C/c2nn3c(nnc3C34CC5CC(CC(C5)C3)C4)s2)cc1 ZINC000080346267 569398942 /nfs/dbraw/zinc/39/89/42/569398942.db2.gz PYBYTEWRMYQRPX-ZZXKWVIFSA-N 0 0 407.499 4.732 50 5 HJBARN CCCC(=O)Nc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2s1 ZINC000012650857 569402302 /nfs/dbraw/zinc/40/23/02/569402302.db2.gz DZLRAQBSSZXLJD-UHFFFAOYSA-N 0 0 418.862 4.849 50 5 HJBARN Cc1cccc(-c2nnc3sc(-c4ccc(-c5ccccc5[N+](=O)[O-])n4C)nn32)c1 ZINC000067300023 571073687 /nfs/dbraw/zinc/07/36/87/571073687.db2.gz DCODCBAMIFMZQQ-UHFFFAOYSA-N 0 0 416.466 4.742 50 5 HJBARN Cc1c(C(=O)Nc2nnc(SCc3ccccc3Cl)s2)cccc1[N+](=O)[O-] ZINC000008860157 571128319 /nfs/dbraw/zinc/12/83/19/571128319.db2.gz XAIZBKXTVXFSFI-UHFFFAOYSA-N 0 0 420.903 4.953 50 5 aggregator HJBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1oc2ccccc2c1NC(=O)c1cccc(F)c1 ZINC000009414187 571256108 /nfs/dbraw/zinc/25/61/08/571256108.db2.gz WGPFSPLTPVOKFL-UHFFFAOYSA-N 0 0 419.368 4.985 50 5 HJBARN O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000009491609 571262746 /nfs/dbraw/zinc/26/27/46/571262746.db2.gz WYQGTGPKCQONIY-FQEVSTJZSA-N 0 0 420.856 4.838 50 5 HJBARN Cc1ccccc1-c1nnc(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1C ZINC000009514012 571264682 /nfs/dbraw/zinc/26/46/82/571264682.db2.gz JLPSIIWMZQUGSW-ZDUSSCGKSA-N 0 0 422.470 4.602 50 5 HJBARN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000009899028 571289711 /nfs/dbraw/zinc/28/97/11/571289711.db2.gz MVGPXPYXGPZNLC-LJQANCHMSA-N 0 0 402.472 4.793 50 5 HJBARN COc1cc2c(cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])oc1ccccc12 ZINC000009905985 571289912 /nfs/dbraw/zinc/28/99/12/571289912.db2.gz PHUBSRGINCYJQZ-UHFFFAOYSA-N 0 0 421.365 4.592 50 5 HJBARN