smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1ncc([N+](=O)[O-])s1)C1(c2ccccc2)CCCC1 ZINC000033525003 1013736526 /nfs/dbraw/zinc/73/65/26/1013736526.db2.gz WLHWXSJURIDJRT-UHFFFAOYSA-N 0 0 317.370 3.502 50 5 DHBARN Cc1ccc(C(=O)N[C@@H](c2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000011211881 1014668814 /nfs/dbraw/zinc/66/88/14/1014668814.db2.gz NEYIYYOHTCKZSV-KRWDZBQOSA-N 0 0 310.353 3.784 50 5 DHBARN O=C(/C=C\c1ccc(F)cc1)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000096943429 1015273632 /nfs/dbraw/zinc/27/36/32/1015273632.db2.gz IZAULLWOOPNQBN-UTCJRWHESA-N 0 0 322.242 3.664 50 5 DHBARN Cc1c(C(=O)Nc2nc3ccccc3s2)cccc1[N+](=O)[O-] ZINC000000187727 1016783072 /nfs/dbraw/zinc/78/30/72/1016783072.db2.gz SIHVIDMIKNQGPY-UHFFFAOYSA-N 0 0 313.338 3.765 50 5 DHBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCc1ccccc1Cl ZINC000033744018 1021785167 /nfs/dbraw/zinc/78/51/67/1021785167.db2.gz XYUPRNAUELCNSO-HJWRWDBZSA-N 0 0 316.744 3.578 50 5 DHBARN Cc1cc(C(=O)Nc2cccc3cccnc32)ccc1[N+](=O)[O-] ZINC000000521800 1022019731 /nfs/dbraw/zinc/01/97/31/1022019731.db2.gz DDPQUBIPCFUQMH-UHFFFAOYSA-N 0 0 307.309 3.704 50 5 DHBARN COc1ccc(CNc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000002170720 1037608180 /nfs/dbraw/zinc/60/81/80/1037608180.db2.gz QLDDGJFDFPGVGP-UHFFFAOYSA-N 0 0 302.330 3.533 50 5 DHBARN C[C@@H]1C[C@@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000095458022 185370354 /nfs/dbraw/zinc/37/03/54/185370354.db2.gz BKZCACHWVNADIW-ZJUUUORDSA-N 0 0 318.295 3.841 50 5 DHBARN COCc1ccc(CNc2nc3ccc([N+](=O)[O-])cc3s2)o1 ZINC000097147930 185416152 /nfs/dbraw/zinc/41/61/52/185416152.db2.gz CKZCZGPVEOLMTH-UHFFFAOYSA-N 0 0 319.342 3.556 50 5 DHBARN CC[C@](O)(c1ccccc1)[C@H](Cc1ccccc1)C[N+](C)(C)[O-] ZINC000071767248 191028764 /nfs/dbraw/zinc/02/87/64/191028764.db2.gz XXKGQKYISFNEFI-UXHICEINSA-N 0 0 313.441 3.717 50 5 DHBARN CCC(=O)Nc1nc2c(c3c4ccccc4oc(=O)c13)CCCC2 ZINC000000036228 180673760 /nfs/dbraw/zinc/67/37/60/180673760.db2.gz GQKSLCQONCMRMJ-UHFFFAOYSA-N 0 0 322.364 3.569 50 5 DHBARN O=C(Nc1ccccc1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000000101888 180693195 /nfs/dbraw/zinc/69/31/95/180693195.db2.gz MORUOUXZJAHZBA-UHFFFAOYSA-N 0 0 310.231 3.866 50 5 DHBARN O=C(OCc1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])o1 ZINC000000115305 180697652 /nfs/dbraw/zinc/69/76/52/180697652.db2.gz GSEVJWYZOJMBQY-UHFFFAOYSA-N 0 0 316.096 3.852 50 5 DHBARN Cc1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000000313800 180756709 /nfs/dbraw/zinc/75/67/09/180756709.db2.gz HEQHCEMLTSTZSQ-UHFFFAOYSA-N 0 0 306.705 3.515 50 5 DHBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3cccs3)o2)cc1 ZINC000002619603 180940029 /nfs/dbraw/zinc/94/00/29/180940029.db2.gz ASOGBTHZPSQKDC-UHFFFAOYSA-N 0 0 319.367 3.999 50 5 DHBARN Cc1c(C(=O)N[C@H]2CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000003608562 181039993 /nfs/dbraw/zinc/03/99/93/181039993.db2.gz BPUBYMOISIDPQJ-INIZCTEOSA-N 0 0 310.353 3.711 50 5 DHBARN Nc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1[N+](=O)[O-] ZINC000003912735 181057996 /nfs/dbraw/zinc/05/79/96/181057996.db2.gz NUAUTTDOZOQTHF-UHFFFAOYSA-N 0 0 323.312 3.503 50 5 DHBARN O=[N+]([O-])c1cc(F)c(N2CCCCCC2)cc1N1CCCC1 ZINC000004137910 181077882 /nfs/dbraw/zinc/07/78/82/181077882.db2.gz KOJCXWQDVILXDW-UHFFFAOYSA-N 0 0 307.369 3.715 50 5 DHBARN Cc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 ZINC000004187829 181083216 /nfs/dbraw/zinc/08/32/16/181083216.db2.gz BVQKLFGHLDDFSX-UHFFFAOYSA-N 0 0 310.353 3.734 50 5 DHBARN O=[N+]([O-])c1ccc2ncnc(Nc3cc(Cl)ccc3O)c2c1 ZINC000004342280 181099819 /nfs/dbraw/zinc/09/98/19/181099819.db2.gz BUJQLCQOPTWLLD-UHFFFAOYSA-N 0 0 316.704 3.641 50 5 DHBARN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)Cc1ccccc1 ZINC000004616082 181129907 /nfs/dbraw/zinc/12/99/07/181129907.db2.gz OHQKNTHWRNWTEX-UHFFFAOYSA-N 0 0 304.733 3.738 50 5 DHBARN CC(C)c1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004819680 181156730 /nfs/dbraw/zinc/15/67/30/181156730.db2.gz WYDYOZYSVMPIMR-UHFFFAOYSA-N 0 0 314.341 3.736 50 5 DHBARN CC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])c(NC(=O)C(C)(C)C)c1 ZINC000004823032 181157371 /nfs/dbraw/zinc/15/73/71/181157371.db2.gz OXQAJQKHJFNBNU-UHFFFAOYSA-N 0 0 321.377 3.564 50 5 DHBARN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OC ZINC000004839800 181160615 /nfs/dbraw/zinc/16/06/15/181160615.db2.gz FGMYSWVEJWZWOJ-UHFFFAOYSA-N 0 0 302.330 3.614 50 5 DHBARN O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000004867746 181165800 /nfs/dbraw/zinc/16/58/00/181165800.db2.gz HDFNJHKLCNNXLN-UHFFFAOYSA-N 0 0 310.231 3.866 50 5 DHBARN COc1cccc(-c2noc(-c3ccc(C)c([N+](=O)[O-])c3)n2)c1 ZINC000004858351 181164392 /nfs/dbraw/zinc/16/43/92/181164392.db2.gz WDCCUOMPUPYNQL-UHFFFAOYSA-N 0 0 311.297 3.629 50 5 DHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCc2ccccc21 ZINC000004927478 181174338 /nfs/dbraw/zinc/17/43/38/181174338.db2.gz WRVHOEZZJJKDIM-INIZCTEOSA-N 0 0 311.341 3.794 50 5 DHBARN CCCOc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000004996732 181187336 /nfs/dbraw/zinc/18/73/36/181187336.db2.gz FYXWHNNTZVTKHJ-UHFFFAOYSA-N 0 0 318.304 3.775 50 5 DHBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3ccco3)o2)cc1 ZINC000005034946 181194591 /nfs/dbraw/zinc/19/45/91/181194591.db2.gz PMGLQPUTJWADQX-UHFFFAOYSA-N 0 0 303.299 3.530 50 5 DHBARN Cc1cc(C)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000005059850 181198613 /nfs/dbraw/zinc/19/86/13/181198613.db2.gz IGLPIUITEGVXAE-UHFFFAOYSA-N 0 0 314.341 3.538 50 5 DHBARN CC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000005383515 181237078 /nfs/dbraw/zinc/23/70/78/181237078.db2.gz ATBJDKXUYNUMHE-UHFFFAOYSA-N 0 0 318.716 3.703 50 5 DHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2ccccc2o1 ZINC000005745192 181280438 /nfs/dbraw/zinc/28/04/38/181280438.db2.gz VQGIIENCNFEHTL-UHFFFAOYSA-N 0 0 312.281 3.602 50 5 DHBARN CCCN(C(=O)c1sc(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000194137896 201184030 /nfs/dbraw/zinc/18/40/30/201184030.db2.gz DDNBECNIBUOKIR-UHFFFAOYSA-N 0 0 319.386 3.725 50 5 DHBARN CSc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006560426 181355078 /nfs/dbraw/zinc/35/50/78/181355078.db2.gz YGTNICQKELFEBJ-UHFFFAOYSA-N 0 0 316.382 3.589 50 5 DHBARN O=C(Nc1ccc(Cl)c2ncsc21)c1ccc([N+](=O)[O-])o1 ZINC000007598830 181477714 /nfs/dbraw/zinc/47/77/14/181477714.db2.gz ORTDZOMYVFDECY-UHFFFAOYSA-N 0 0 323.717 3.703 50 5 DHBARN Cc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000008973992 181594332 /nfs/dbraw/zinc/59/43/32/181594332.db2.gz XRKIUCQKQITOLK-UHFFFAOYSA-N 0 0 313.338 3.765 50 5 DHBARN Cc1cc(F)ccc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000009548552 181628796 /nfs/dbraw/zinc/62/87/96/181628796.db2.gz DEOLJFQIZQWAFQ-UHFFFAOYSA-N 0 0 320.345 3.773 50 5 DHBARN N=c1oc2ccc3ccccc3c2cc1C(=O)NCc1ccco1 ZINC000017054531 182072241 /nfs/dbraw/zinc/07/22/41/182072241.db2.gz OJBFOYIHTQALAP-UHFFFAOYSA-N 0 0 318.332 3.588 50 5 DHBARN CCSc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000020043838 182183055 /nfs/dbraw/zinc/18/30/55/182183055.db2.gz KVSJNTSLICYCJC-UHFFFAOYSA-N 0 0 302.355 3.959 50 5 DHBARN N=C1c2ccccc2CN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000021487107 182274749 /nfs/dbraw/zinc/27/47/49/182274749.db2.gz CQFBGNLOVVLVPX-UHFFFAOYSA-N 0 0 321.258 3.959 50 5 DHBARN O=[N+]([O-])c1cccnc1N[C@@H]1CCSc2c(F)cccc21 ZINC000023641117 182365108 /nfs/dbraw/zinc/36/51/08/182365108.db2.gz GUGZEYBZLJGMJC-LLVKDONJSA-N 0 0 305.334 3.778 50 5 DHBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000025325870 182409602 /nfs/dbraw/zinc/40/96/02/182409602.db2.gz XJSBKYNMUFDBGV-INIZCTEOSA-N 0 0 314.316 3.711 50 5 DHBARN CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000027818461 182492815 /nfs/dbraw/zinc/49/28/15/182492815.db2.gz DSQDMELWPLDVCC-YLZCUGDYSA-N 0 0 322.364 3.754 50 5 DHBARN Cc1nnc(SCc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000037668750 182918695 /nfs/dbraw/zinc/91/86/95/182918695.db2.gz DGUBXCRDIQWKDA-UHFFFAOYSA-N 0 0 301.780 3.700 50 5 DHBARN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(Cl)cc1F ZINC000040074152 183031478 /nfs/dbraw/zinc/03/14/78/183031478.db2.gz RGHYNPLHFWXGFH-UHFFFAOYSA-N 0 0 322.723 3.660 50 5 DHBARN O=C(NCc1ccccc1F)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000040098675 183034617 /nfs/dbraw/zinc/03/46/17/183034617.db2.gz DRCDNEIRROXIJN-UHFFFAOYSA-N 0 0 323.711 3.709 50 5 DHBARN COc1cccc(CNc2ccc3ncccc3c2[N+](=O)[O-])c1 ZINC000040122911 183038392 /nfs/dbraw/zinc/03/83/92/183038392.db2.gz GMLKIDXDQKAGIO-UHFFFAOYSA-N 0 0 309.325 3.764 50 5 DHBARN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(Cl)s1 ZINC000040509281 183086111 /nfs/dbraw/zinc/08/61/11/183086111.db2.gz MZBQURZVYCPQHX-UHFFFAOYSA-N 0 0 310.762 3.582 50 5 DHBARN Cc1cc2cc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)ccc2[nH]1 ZINC000040510835 183086726 /nfs/dbraw/zinc/08/67/26/183086726.db2.gz DGHNXERVTVYYRC-UHFFFAOYSA-N 0 0 309.325 3.566 50 5 DHBARN Cc1c2c(cc3c4ccccc4c(=O)oc13)CN(C1CC1)CO2 ZINC000057143002 184027934 /nfs/dbraw/zinc/02/79/34/184027934.db2.gz WFAJRUCKGYYVCM-UHFFFAOYSA-N 0 0 307.349 3.569 50 5 DHBARN CCSc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000058052191 184071687 /nfs/dbraw/zinc/07/16/87/184071687.db2.gz LHGKOFWVTOVSIB-UHFFFAOYSA-N 0 0 317.370 3.663 50 5 DHBARN O=C(NC1CCCCCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058407497 184114226 /nfs/dbraw/zinc/11/42/26/184114226.db2.gz GNLBZFAQXXWGTF-UHFFFAOYSA-N 0 0 315.373 3.919 50 5 DHBARN Cc1cccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2F)c1 ZINC000058439301 184118296 /nfs/dbraw/zinc/11/82/96/184118296.db2.gz WFZQLQBBDDBQIS-VMPITWQZSA-N 0 0 300.289 3.694 50 5 DHBARN CCOc1cc(NC(C)(C)C)c([N+](=O)[O-])cc1Br ZINC000065336895 184324844 /nfs/dbraw/zinc/32/48/44/184324844.db2.gz HXTPJLMWDWBTNX-UHFFFAOYSA-N 0 0 317.183 3.966 50 5 DHBARN O=[N+]([O-])c1cnc(N2CC3(CCCC3)[C@H]2c2ccccc2)nc1 ZINC000408520975 257254908 /nfs/dbraw/zinc/25/49/08/257254908.db2.gz DGJVSIZXVXMLRZ-OAHLLOKOSA-N 0 0 310.357 3.507 50 5 DHBARN O=[N+]([O-])c1ccc([C@H]2CN[C@@H](c3ccccc3Cl)O2)cc1 ZINC000019805832 257268828 /nfs/dbraw/zinc/26/88/28/257268828.db2.gz HDEINWKFOMDNAV-HUUCEWRRSA-N 0 0 304.733 3.608 50 5 DHBARN O=[N+]([O-])c1cc(Cl)cnc1N[C@@H](c1cccnc1)C1CC1 ZINC000340075983 130840778 /nfs/dbraw/zinc/84/07/78/130840778.db2.gz IZYDSNJYFCUTNJ-CYBMUJFWSA-N 0 0 304.737 3.601 50 5 DHBARN CC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000000121537 563609926 /nfs/dbraw/zinc/60/99/26/563609926.db2.gz CTKGVJQTGJYRAF-UHFFFAOYSA-N 0 0 306.705 3.999 50 5 DHBARN Cc1cc(C)nc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000008548830 563948955 /nfs/dbraw/zinc/94/89/55/563948955.db2.gz ODJPQNZIDQUHEN-UHFFFAOYSA-N 0 0 305.721 3.512 50 5 DHBARN Cc1nc2c3sc4nc(C(F)(F)F)cc(C)c4c3ncn2n1 ZINC000013643568 563384497 /nfs/dbraw/zinc/38/44/97/563384497.db2.gz JIUZGVUFNLJZHW-UHFFFAOYSA-N 0 0 323.303 3.523 50 5 DHBARN CC(C)OCc1ccccc1CNc1ccc([N+](=O)[O-])cn1 ZINC000032779312 563393125 /nfs/dbraw/zinc/39/31/25/563393125.db2.gz QQBPFQAJTHQNGL-UHFFFAOYSA-N 0 0 301.346 3.527 50 5 DHBARN CN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1(c2ccccc2)CCC1 ZINC000025255793 563421919 /nfs/dbraw/zinc/42/19/19/563421919.db2.gz VQQGRLZRDKMCMR-UHFFFAOYSA-N 0 0 324.380 3.675 50 5 DHBARN COc1cc(CNc2ccc([N+](=O)[O-])cc2C)cc(OC)c1 ZINC000004685539 563497544 /nfs/dbraw/zinc/49/75/44/563497544.db2.gz GCLSFAKJAWZKOQ-UHFFFAOYSA-N 0 0 302.330 3.533 50 5 DHBARN O=C(Oc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000038590 563505289 /nfs/dbraw/zinc/50/52/89/563505289.db2.gz PCSBEINDFQJBPT-UHFFFAOYSA-N 0 0 322.114 3.577 50 5 DHBARN O=C(Nc1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] ZINC000000069325 563516114 /nfs/dbraw/zinc/51/61/14/563516114.db2.gz DWXXIIAUWRLEPK-UHFFFAOYSA-N 0 0 321.130 3.610 50 5 DHBARN CCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000000102861 563543357 /nfs/dbraw/zinc/54/33/57/563543357.db2.gz UPCMMHIESFHFSG-UHFFFAOYSA-N 0 0 304.733 3.915 50 5 DHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1Cl ZINC000000112715 563571014 /nfs/dbraw/zinc/57/10/14/563571014.db2.gz RRYPOIBRJRMEAG-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN CCN(CC)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000136971 563571932 /nfs/dbraw/zinc/57/19/32/563571932.db2.gz MXDUEZIXWDLVNB-UHFFFAOYSA-N 0 0 313.357 3.693 50 5 DHBARN CC(C)Oc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000131376 563572285 /nfs/dbraw/zinc/57/22/85/563572285.db2.gz ZPBKQXUUICMTKW-UHFFFAOYSA-N 0 0 300.314 3.634 50 5 DHBARN O=[N+]([O-])c1cc(-n2ncnc2-c2ccc(Cl)cc2)ccc1F ZINC000000180999 563575580 /nfs/dbraw/zinc/57/55/80/563575580.db2.gz UTEOBSLGYZTWBV-UHFFFAOYSA-N 0 0 318.695 3.635 50 5 DHBARN Cc1cccc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc21 ZINC000000190893 563576836 /nfs/dbraw/zinc/57/68/36/563576836.db2.gz LCJFKOCZRIDMOI-UHFFFAOYSA-N 0 0 313.338 3.765 50 5 DHBARN COc1ccc([N+](=O)[O-])cc1NCc1ccc(SC)cc1 ZINC000000263411 563583596 /nfs/dbraw/zinc/58/35/96/563583596.db2.gz OZZISYVLOSCKMR-UHFFFAOYSA-N 0 0 304.371 3.937 50 5 DHBARN COc1ccc2c(c1)nc1c3cccc4cccc(c(=O)n21)c43 ZINC000000278932 563584042 /nfs/dbraw/zinc/58/40/42/563584042.db2.gz LKXACQJIRVWIPL-UHFFFAOYSA-N 0 0 300.317 3.601 50 5 DHBARN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1Cl ZINC000000295665 563584782 /nfs/dbraw/zinc/58/47/82/563584782.db2.gz ABTUWELVGYGHEU-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000000307196 563586758 /nfs/dbraw/zinc/58/67/58/563586758.db2.gz WHOXNVSBKRZVLF-JTQLQIEISA-N 0 0 304.733 3.739 50 5 DHBARN COc1cc(SC)ccc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000337802 563588643 /nfs/dbraw/zinc/58/86/43/563588643.db2.gz LIRPAIRXCRFXFV-UHFFFAOYSA-N 0 0 318.354 3.578 50 5 DHBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCC(Cc2ccccc2)CC1 ZINC000000327255 563588663 /nfs/dbraw/zinc/58/86/63/563588663.db2.gz LUWGUBFUBHECIX-UHFFFAOYSA-N 0 0 324.380 3.690 50 5 DHBARN O=C1C[C@H](c2cccc([N+](=O)[O-])c2)c2cc3c(cc2N1)CCC3 ZINC000000427632 563611692 /nfs/dbraw/zinc/61/16/92/563611692.db2.gz HSBHLBCESVHRBD-OAHLLOKOSA-N 0 0 308.337 3.558 50 5 DHBARN Cc1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000000451214 563615639 /nfs/dbraw/zinc/61/56/39/563615639.db2.gz ZYCSVIVONVJXKR-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN O=C1c2cccc3cccc(c32)C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000005514402 563622892 /nfs/dbraw/zinc/62/28/92/563622892.db2.gz HHVCRIIEJHKMCU-UHFFFAOYSA-N 0 0 318.288 3.549 50 5 DHBARN CCOc1ccccc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000000473702 563624153 /nfs/dbraw/zinc/62/41/53/563624153.db2.gz IGGOJQXTKMMIMK-UHFFFAOYSA-N 0 0 300.314 3.554 50 5 DHBARN CC(C)c1nc2sc3c(ncn4ncnc34)c2c2c1CCCC2 ZINC000000509827 563658644 /nfs/dbraw/zinc/65/86/44/563658644.db2.gz WNPGUDOXNZWLRQ-UHFFFAOYSA-N 0 0 323.425 3.889 50 5 DHBARN CCN(CC)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000000578906 563671997 /nfs/dbraw/zinc/67/19/97/563671997.db2.gz BWYUEXDYCQUSEV-UHFFFAOYSA-N 0 0 313.357 3.693 50 5 DHBARN Cc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000000860198 563772719 /nfs/dbraw/zinc/77/27/19/563772719.db2.gz JUURSVLUIGZMCZ-CQSZACIVSA-N 0 0 312.369 3.654 50 5 DHBARN O=C(OCc1cc(-c2ccccc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000025066253 563781353 /nfs/dbraw/zinc/78/13/53/563781353.db2.gz WCKWKTMKFQBEQM-UHFFFAOYSA-N 0 0 324.292 3.607 50 5 DHBARN Cc1ccc(NC(=O)CNc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000012790304 563832109 /nfs/dbraw/zinc/83/21/09/563832109.db2.gz NTUQIFFRGZBUFE-UHFFFAOYSA-N 0 0 319.748 3.607 50 5 DHBARN O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCOc3ccccc32)c1 ZINC000237834984 563883936 /nfs/dbraw/zinc/88/39/36/563883936.db2.gz QWZMFQLFQFYWML-HNNXBMFYSA-N 0 0 318.760 3.862 50 5 DHBARN O=[N+]([O-])c1cccnc1Sc1nc2cc(Cl)ccc2[nH]1 ZINC000007738509 563918574 /nfs/dbraw/zinc/91/85/74/563918574.db2.gz KJGKDHWPCRSGKD-UHFFFAOYSA-N 0 0 306.734 3.671 50 5 DHBARN Cc1ccc(C(=O)NCCSC2CCCCC2)cc1[N+](=O)[O-] ZINC000002814943 563940931 /nfs/dbraw/zinc/94/09/31/563940931.db2.gz CMTPLAYBZDDPRH-UHFFFAOYSA-N 0 0 322.430 3.699 50 5 DHBARN CN(Cn1ncc2cc([N+](=O)[O-])ccc21)[C@@H]1CCc2ccccc21 ZINC000029301300 563941215 /nfs/dbraw/zinc/94/12/15/563941215.db2.gz AIMGIDUCFQYYGM-GOSISDBHSA-N 0 0 322.368 3.521 50 5 DHBARN COc1ccc([C@@H](C[N+](=O)[O-])c2c(C)[nH]c3ccccc32)cc1 ZINC000003165964 563942419 /nfs/dbraw/zinc/94/24/19/563942419.db2.gz DXJRRGIMNHCHCK-MRXNPFEDSA-N 0 0 310.353 3.894 50 5 DHBARN C[C@]1(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCCc2ccccc21 ZINC000058340912 563944111 /nfs/dbraw/zinc/94/41/11/563944111.db2.gz KAWQTBLGIPYFFG-IBGZPJMESA-N 0 0 324.380 3.505 50 5 DHBARN Cc1ccc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cc1 ZINC000031546753 563944498 /nfs/dbraw/zinc/94/44/98/563944498.db2.gz QRSHMWDEEPCGNQ-UHFFFAOYSA-N 0 0 314.341 3.619 50 5 DHBARN O=C(N[C@@H](c1cccs1)C1CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000032398372 563945790 /nfs/dbraw/zinc/94/57/90/563945790.db2.gz JACSXKHWBOJIEI-CQSZACIVSA-N 0 0 320.370 3.911 50 5 DHBARN Cc1ccccc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000008074124 563946412 /nfs/dbraw/zinc/94/64/12/563946412.db2.gz HSZHXYFBEQKJGI-UHFFFAOYSA-N 0 0 302.355 3.634 50 5 DHBARN Cc1ccnc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000008747093 563950350 /nfs/dbraw/zinc/95/03/50/563950350.db2.gz GQHMOGLMQFJHAE-UHFFFAOYSA-N 0 0 313.338 3.765 50 5 DHBARN Cc1ccc2nc3c(cnn3-c3ccc([N+](=O)[O-])cc3)cc2c1 ZINC000069382972 563952610 /nfs/dbraw/zinc/95/26/10/563952610.db2.gz DRAADLBTSGJTCR-UHFFFAOYSA-N 0 0 304.309 3.790 50 5 DHBARN C[C@@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000009153983 563953646 /nfs/dbraw/zinc/95/36/46/563953646.db2.gz OEBNGSKXGMIQJW-SNVBAGLBSA-N 0 0 304.371 3.824 50 5 DHBARN Cc1ccc(NC(=O)Nc2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000003086052 568416798 /nfs/dbraw/zinc/41/67/98/568416798.db2.gz BAAPFEAUHWMDHO-UHFFFAOYSA-N 0 0 307.256 3.825 50 5 DHBARN COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000000180949 1016783931 /nfs/dbraw/zinc/78/39/31/1016783931.db2.gz UCVASKHGUXFDCL-UHFFFAOYSA-N 0 0 324.695 3.648 50 5 DHBARN CSc1ccccc1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000033470020 1021441323 /nfs/dbraw/zinc/44/13/23/1021441323.db2.gz UAOVNYYIXKPUOT-KTKRTIGZSA-N 0 0 314.366 3.969 50 5 DHBARN Cc1c(NC(=O)C2Oc3ccccc3C2=O)cccc1[N+](=O)[O-] ZINC000102899295 1022018558 /nfs/dbraw/zinc/01/85/58/1022018558.db2.gz GJQYILVPZSJBJW-UHFFFAOYSA-N 0 0 312.281 3.607 50 5 DHBARN O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000046088198 1023662795 /nfs/dbraw/zinc/66/27/95/1023662795.db2.gz QLNGMVYNVINDCT-INIZCTEOSA-N 0 0 318.398 3.872 50 5 DHBARN Cc1ccc(/C=C\C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000006797767 1027478540 /nfs/dbraw/zinc/47/85/40/1027478540.db2.gz MXKBLVYFAZLOTG-TWGQIWQCSA-N 0 0 300.289 3.694 50 5 DHBARN Cc1ccc(/C=C/C(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000008938283 1028290901 /nfs/dbraw/zinc/29/09/01/1028290901.db2.gz GIWNAZXIWXAMMR-LXKVQUBZSA-N 0 0 314.341 3.729 50 5 DHBARN Cc1cccc(N2C(=O)CS[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000000179930 1038469996 /nfs/dbraw/zinc/46/99/96/1038469996.db2.gz JVSWGXKNIMFQLR-MRXNPFEDSA-N 0 0 314.366 3.682 50 5 DHBARN O=[N+]([O-])c1c(Br)cccc1OCCC(F)(F)F ZINC000169725368 197747893 /nfs/dbraw/zinc/74/78/93/197747893.db2.gz SLNKPBSPFQNQNO-UHFFFAOYSA-N 0 0 314.057 3.689 50 5 DHBARN Cc1cccc2ncnc(NCCc3ccccc3[N+](=O)[O-])c12 ZINC000170652383 197800536 /nfs/dbraw/zinc/80/05/36/197800536.db2.gz QROCMXZHEWXEHN-UHFFFAOYSA-N 0 0 308.341 3.501 50 5 DHBARN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000000103138 180693885 /nfs/dbraw/zinc/69/38/85/180693885.db2.gz PHGOXMHUUDTBPH-SNVBAGLBSA-N 0 0 304.733 3.739 50 5 DHBARN O=C(/C=C/c1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000000106269 180695027 /nfs/dbraw/zinc/69/50/27/180695027.db2.gz DLRUZQAOTGOMTH-FPYGCLRLSA-N 0 0 304.252 3.525 50 5 DHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1c(C)cc(C)cc1C ZINC000000145228 180707731 /nfs/dbraw/zinc/70/77/31/180707731.db2.gz XVYZZVGDMUDPAL-UHFFFAOYSA-N 0 0 314.341 3.781 50 5 DHBARN COC(=O)c1csc([N+](=O)[O-])c1SCc1ccccc1 ZINC000000385904 180774136 /nfs/dbraw/zinc/77/41/36/180774136.db2.gz OFRYIIGFGFEEBU-UHFFFAOYSA-N 0 0 309.368 3.735 50 5 DHBARN O=C(CCNc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000000472424 180801334 /nfs/dbraw/zinc/80/13/34/180801334.db2.gz XGQNMAZWHDDYGH-UHFFFAOYSA-N 0 0 304.733 3.933 50 5 DHBARN C[C@H](C(=O)Nc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000000472046 180801555 /nfs/dbraw/zinc/80/15/55/180801555.db2.gz LWVFIFVLSBRVKD-JTQLQIEISA-N 0 0 304.733 3.990 50 5 DHBARN Cc1ccc(C(C)C)cc1Oc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000002626986 180940963 /nfs/dbraw/zinc/94/09/63/180940963.db2.gz IRCHOUWAGODSIE-UHFFFAOYSA-N 0 0 314.341 3.918 50 5 DHBARN O=C(OCc1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])o1 ZINC000003285524 181000093 /nfs/dbraw/zinc/00/00/93/181000093.db2.gz NRNFPNBQVDUMPY-UHFFFAOYSA-N 0 0 316.096 3.852 50 5 DHBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1CCCc2ccccc21 ZINC000003295808 181001372 /nfs/dbraw/zinc/00/13/72/181001372.db2.gz JTDTZNMXFSDVHW-GZKZCVOOSA-N 0 0 322.364 3.802 50 5 DHBARN CC(C)c1ccccc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000003298475 181002369 /nfs/dbraw/zinc/00/23/69/181002369.db2.gz QGYFPNPNIHBDPM-UHFFFAOYSA-N 0 0 314.341 3.736 50 5 DHBARN Cc1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1[N+](=O)[O-] ZINC000003611823 181040662 /nfs/dbraw/zinc/04/06/62/181040662.db2.gz DCSWTCLPSASXRJ-UHFFFAOYSA-N 0 0 308.696 3.948 50 5 DHBARN Cc1cc(C)n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 ZINC000004050639 181066921 /nfs/dbraw/zinc/06/69/21/181066921.db2.gz QLCFBZDNMRLUIJ-UHFFFAOYSA-N 0 0 300.343 3.521 50 5 DHBARN CCOC(=O)c1ccc(NCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000003913742 181057986 /nfs/dbraw/zinc/05/79/86/181057986.db2.gz CVUMJSLPVUVRBV-UHFFFAOYSA-N 0 0 318.304 3.523 50 5 DHBARN COC(=O)c1ccccc1NSc1ccccc1[N+](=O)[O-] ZINC000003958932 181059815 /nfs/dbraw/zinc/05/98/15/181059815.db2.gz MSXQVAUQYADRQA-UHFFFAOYSA-N 0 0 304.327 3.501 50 5 DHBARN O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1ccoc1 ZINC000004079330 181070499 /nfs/dbraw/zinc/07/04/99/181070499.db2.gz WCRNKOAFANTQNW-UHFFFAOYSA-N 0 0 321.339 3.625 50 5 DHBARN O=[N+]([O-])c1ccc(N2CCCC2)cc1NCCc1ccccc1 ZINC000004182688 181082558 /nfs/dbraw/zinc/08/25/58/181082558.db2.gz DVPSKDMOQSNKCW-UHFFFAOYSA-N 0 0 311.385 3.850 50 5 DHBARN Cc1ccc2nc(/C=C/c3cccc([N+](=O)[O-])c3)oc(=O)c2c1 ZINC000004223213 181086470 /nfs/dbraw/zinc/08/64/70/181086470.db2.gz XHGKXJRTEMNIOF-SOFGYWHQSA-N 0 0 308.293 3.575 50 5 DHBARN CC[C@@H](C)C(=O)Nc1ccc(NC(=O)[C@@H](C)CC)c([N+](=O)[O-])c1 ZINC000004427936 181108762 /nfs/dbraw/zinc/10/87/62/181108762.db2.gz JQOACDYRPWMVDS-MNOVXSKESA-N 0 0 321.377 3.564 50 5 DHBARN N=c1oc2c(cc(Cl)cc2[N+](=O)[O-])cc1-c1ccccn1 ZINC000004451836 181110129 /nfs/dbraw/zinc/11/01/29/181110129.db2.gz DMEGSVJCEKEXCD-UHFFFAOYSA-N 0 0 301.689 3.536 50 5 DHBARN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C12CC3CC(CC(C3)C1)C2 ZINC000004520402 181119686 /nfs/dbraw/zinc/11/96/86/181119686.db2.gz MAIPNGKCZNLSRR-LKBWSCCASA-N 0 0 318.373 3.523 50 5 DHBARN O=c1c2cc(Br)ccc2oc2ccc([N+](=O)[O-])cc12 ZINC000004614874 181129934 /nfs/dbraw/zinc/12/99/34/181129934.db2.gz QEUXAXWXQNIOKF-UHFFFAOYSA-N 0 0 320.098 3.617 50 5 DHBARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000004680584 181135817 /nfs/dbraw/zinc/13/58/17/181135817.db2.gz ZKBASTWKARGWAQ-GPCCPHFNSA-N 0 0 310.781 3.803 50 5 DHBARN Cc1ccc(NC(=O)c2cccc(OC(C)C)c2)c([N+](=O)[O-])c1 ZINC000004695567 181137533 /nfs/dbraw/zinc/13/75/33/181137533.db2.gz IIDGDGBQRTVFOU-UHFFFAOYSA-N 0 0 314.341 3.943 50 5 DHBARN COc1ccc(NC(=O)CCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000004702875 181139965 /nfs/dbraw/zinc/13/99/65/181139965.db2.gz GKAZJMQMTCKTQA-UHFFFAOYSA-N 0 0 314.341 3.565 50 5 DHBARN O=[N+]([O-])c1cccc(-n2nncc2C23CC4CC(CC(C4)C2)C3)c1 ZINC000004808883 181154503 /nfs/dbraw/zinc/15/45/03/181154503.db2.gz FGXXBNPGOGMZAB-UHFFFAOYSA-N 0 0 324.384 3.643 50 5 DHBARN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1C ZINC000004949468 181178292 /nfs/dbraw/zinc/17/82/92/181178292.db2.gz LUCBRCDVOJLKOZ-ZDUSSCGKSA-N 0 0 314.341 3.618 50 5 DHBARN O=C(NCc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004986342 181185284 /nfs/dbraw/zinc/18/52/84/181185284.db2.gz BGQSCSGZLMFRGS-UHFFFAOYSA-N 0 0 305.721 3.570 50 5 DHBARN O=[N+]([O-])/C=C\c1cn(CCOc2ccccc2)c2ccccc12 ZINC000004998734 181188162 /nfs/dbraw/zinc/18/81/62/181188162.db2.gz FEARWRRQUPRCMS-KHPPLWFESA-N 0 0 308.337 3.968 50 5 DHBARN CCc1ccccc1NC(=O)CSc1ccsc1[N+](=O)[O-] ZINC000005136636 181208313 /nfs/dbraw/zinc/20/83/13/181208313.db2.gz CMNDOJNUWXQITI-UHFFFAOYSA-N 0 0 322.411 3.950 50 5 DHBARN Cc1cc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c([N+](=O)[O-])c1 ZINC000005208000 181216966 /nfs/dbraw/zinc/21/69/66/181216966.db2.gz SDVYEMRCFKJDTO-UHFFFAOYSA-N 0 0 321.292 3.553 50 5 DHBARN O=[N+]([O-])c1ccc(NCn2c3ccccc3[nH]c2=S)cc1 ZINC000005280327 181225989 /nfs/dbraw/zinc/22/59/89/181225989.db2.gz XJBMHYZRWPBULQ-UHFFFAOYSA-N 0 0 300.343 3.677 50 5 DHBARN O=C(Nc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1Cl ZINC000005338020 181231139 /nfs/dbraw/zinc/23/11/39/181231139.db2.gz QMHCYARSGKCZHB-UHFFFAOYSA-N 0 0 312.112 3.549 50 5 DHBARN Cc1cc(C(=O)O[C@@H](C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000005634698 181266899 /nfs/dbraw/zinc/26/68/99/181266899.db2.gz GCXLFYHGOFNJMO-NSHDSACASA-N 0 0 303.289 3.960 50 5 DHBARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000005794605 181284342 /nfs/dbraw/zinc/28/43/42/181284342.db2.gz VAPSZZZZVHOMKT-ZDUSSCGKSA-N 0 0 314.341 3.618 50 5 DHBARN Cc1[nH]c2ccccc2c1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000005869600 181291948 /nfs/dbraw/zinc/29/19/48/181291948.db2.gz HUQKYYPBHPYNIJ-UHFFFAOYSA-N 0 0 310.309 3.646 50 5 DHBARN CCc1ccc(NC(=O)[C@@H](C)Oc2cccc([N+](=O)[O-])c2)cc1 ZINC000006060817 181309406 /nfs/dbraw/zinc/30/94/06/181309406.db2.gz XYGBWGJHVGOOEK-GFCCVEGCSA-N 0 0 314.341 3.563 50 5 DHBARN COc1ccccc1-n1c2ccc([N+](=O)[O-])cc2nc1SC ZINC000006291744 181326892 /nfs/dbraw/zinc/32/68/92/181326892.db2.gz FXILMCKMFINEJY-UHFFFAOYSA-N 0 0 315.354 3.664 50 5 DHBARN O=C(CCNc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000006815692 181394202 /nfs/dbraw/zinc/39/42/02/181394202.db2.gz GGBGFLPFJKWRII-UHFFFAOYSA-N 0 0 304.733 3.933 50 5 DHBARN Cc1cccc(C2N=NC(=S)N2C2CCCCC2)c1[N+](=O)[O-] ZINC000006860903 181398215 /nfs/dbraw/zinc/39/82/15/181398215.db2.gz JXKBGOZBCHNBLF-UHFFFAOYSA-N 0 0 318.402 3.956 50 5 DHBARN Cc1ccc(Oc2ncc(Cl)cc2Cl)c([N+](=O)[O-])n1 ZINC000006912401 181405302 /nfs/dbraw/zinc/40/53/02/181405302.db2.gz NZGOKWSHLYXRSI-UHFFFAOYSA-N 0 0 300.101 3.792 50 5 DHBARN O=[N+]([O-])c1cccnc1N[C@@H]1CCSc2ccc(F)cc21 ZINC000012682549 181787888 /nfs/dbraw/zinc/78/78/88/181787888.db2.gz OWELKMBJWVOFBZ-LLVKDONJSA-N 0 0 305.334 3.778 50 5 DHBARN Cc1cccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1C ZINC000015790599 182017987 /nfs/dbraw/zinc/01/79/87/182017987.db2.gz WXUZIZFCOZPVPS-UHFFFAOYSA-N 0 0 314.341 3.538 50 5 DHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cccc(C)c1C ZINC000017053156 182071623 /nfs/dbraw/zinc/07/16/23/182071623.db2.gz BDSKJSPANBEMGT-UHFFFAOYSA-N 0 0 315.329 3.864 50 5 DHBARN COC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2 ZINC000018069434 182092196 /nfs/dbraw/zinc/09/21/96/182092196.db2.gz KSJKKZIFUIBWPY-NLKGSNSHSA-N 0 0 315.369 3.606 50 5 DHBARN Cc1cc(C(=O)N(C)[C@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000024831935 182392521 /nfs/dbraw/zinc/39/25/21/182392521.db2.gz VEPHQZQAPOJVJS-KRWDZBQOSA-N 0 0 310.353 3.663 50 5 DHBARN CC(C)c1ccc(C(=O)Cn2cnc([N+](=O)[O-])c2)c(C(C)C)c1 ZINC000029749572 182575816 /nfs/dbraw/zinc/57/58/16/182575816.db2.gz MUICGICHCSPPFN-UHFFFAOYSA-N 0 0 315.373 3.921 50 5 DHBARN Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c2cccnc12 ZINC000031091652 182605833 /nfs/dbraw/zinc/60/58/33/182605833.db2.gz AXAQLXIXFFSPTJ-UHFFFAOYSA-N 0 0 307.309 3.704 50 5 DHBARN CCc1ccc(C(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000040082181 183031756 /nfs/dbraw/zinc/03/17/56/183031756.db2.gz ATZVCZGKSYPKBX-NSHDSACASA-N 0 0 302.330 3.583 50 5 DHBARN CN(Cc1ccco1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000042206231 183242830 /nfs/dbraw/zinc/24/28/30/183242830.db2.gz JDZXTXRGWAQRSY-UHFFFAOYSA-N 0 0 311.135 3.587 50 5 DHBARN C[C@@H]1C[C@@H]1c1ccc(CN(c2ccc([N+](=O)[O-])cn2)C2CC2)o1 ZINC000042103212 183232876 /nfs/dbraw/zinc/23/28/76/183232876.db2.gz OXSNLTORUFKFTL-ABAIWWIYSA-N 0 0 313.357 3.875 50 5 DHBARN CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1CCCCCC1 ZINC000056458037 184012734 /nfs/dbraw/zinc/01/27/34/184012734.db2.gz LLSJPSYTIBZPKT-UHFFFAOYSA-N 0 0 315.373 3.871 50 5 DHBARN CCC[C@@H](C)c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000000618124 262530914 /nfs/dbraw/zinc/53/09/14/262530914.db2.gz KJJSJCVKBLPUCQ-SECBINFHSA-N 0 0 320.374 3.602 50 5 DHBARN CCn1c2ccccc2nc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000009645094 425693529 /nfs/dbraw/zinc/69/35/29/425693529.db2.gz ZYNZYAYVASQSAO-UHFFFAOYSA-N 0 0 324.340 3.525 50 5 DHBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1 ZINC000000463954 331462995 /nfs/dbraw/zinc/46/29/95/331462995.db2.gz IMWQSTGYMOOOIG-BJMVGYQFSA-N 0 0 302.717 3.900 50 5 DHBARN Cc1ncsc1CN(C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174854385 337383533 /nfs/dbraw/zinc/38/35/33/337383533.db2.gz XCQWPMKGMHWWDS-UHFFFAOYSA-N 0 0 311.794 3.645 50 5 DHBARN O=[N+]([O-])c1cccc(-c2nc(/C=C\c3ccncn3)cs2)c1 ZINC000255014291 341497251 /nfs/dbraw/zinc/49/72/51/341497251.db2.gz LLRUZDLGAWLGML-PLNGDYQASA-N 0 0 310.338 3.679 50 5 DHBARN C[C@@H](Nc1cnn(CC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000097038454 563937627 /nfs/dbraw/zinc/93/76/27/563937627.db2.gz NLOQRMPGMUWSKF-SECBINFHSA-N 0 0 314.267 3.527 50 5 DHBARN O=c1c2c3c(sc2nc2c4ccccc4cnn12)CCCCC3 ZINC000000091490 563215684 /nfs/dbraw/zinc/21/56/84/563215684.db2.gz RWCSXVZPKWYGHX-UHFFFAOYSA-N 0 0 321.405 3.726 50 5 DHBARN Cc1ncc(-c2nnc3c4ccccc4c4ccccc4n23)n1C ZINC000032603564 563443504 /nfs/dbraw/zinc/44/35/04/563443504.db2.gz MEBGBIQQKZAXCD-UHFFFAOYSA-N 0 0 313.364 3.745 50 5 DHBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1scc2c1CCCC2 ZINC000000032843 563505952 /nfs/dbraw/zinc/50/59/52/563505952.db2.gz BVGSGHKYQOLRGN-UHFFFAOYSA-N 0 0 302.355 3.787 50 5 DHBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000097972966 563507362 /nfs/dbraw/zinc/50/73/62/563507362.db2.gz ZWQCBGUXALYGIE-UHFFFAOYSA-N 0 0 321.270 3.562 50 5 DHBARN O=C(Nc1ccc(F)cc1F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000060019 563515858 /nfs/dbraw/zinc/51/58/58/563515858.db2.gz SKFWVMBASUXCIP-UHFFFAOYSA-N 0 0 312.659 3.779 50 5 DHBARN CCC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000000060942 563515888 /nfs/dbraw/zinc/51/58/88/563515888.db2.gz BJMWPTDBEYYZEA-UHFFFAOYSA-N 0 0 313.309 3.715 50 5 DHBARN Cc1cc(NC(=O)N(C)[C@H](C)c2cccnc2)ccc1[N+](=O)[O-] ZINC000097049342 563517509 /nfs/dbraw/zinc/51/75/09/563517509.db2.gz YHCKIPATBJSKKT-GFCCVEGCSA-N 0 0 314.345 3.523 50 5 DHBARN Cc1[nH]c2ccccc2c1[C@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000000134654 563571971 /nfs/dbraw/zinc/57/19/71/563571971.db2.gz LJABZXUJICDUMK-CQSZACIVSA-N 0 0 324.336 3.614 50 5 DHBARN O=C(c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000174176 563574817 /nfs/dbraw/zinc/57/48/17/563574817.db2.gz SXYMUGJXZKDIRK-UHFFFAOYSA-N 0 0 306.115 3.588 50 5 DHBARN Cc1ccc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc1 ZINC000000176778 563575180 /nfs/dbraw/zinc/57/51/80/563575180.db2.gz VVBSMBYCVLTTNI-DHDCSXOGSA-N 0 0 322.320 3.556 50 5 DHBARN Cc1cccc2sc(NC(=O)c3cccc([N+](=O)[O-])c3)nc21 ZINC000000190895 563576713 /nfs/dbraw/zinc/57/67/13/563576713.db2.gz FEPKHNRQXHYCBA-UHFFFAOYSA-N 0 0 313.338 3.765 50 5 DHBARN COC(=O)c1ccc(Sc2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000000257687 563582577 /nfs/dbraw/zinc/58/25/77/563582577.db2.gz WKSWQBTYGZQAIY-UHFFFAOYSA-N 0 0 319.338 3.541 50 5 DHBARN COc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000300349 563587121 /nfs/dbraw/zinc/58/71/21/563587121.db2.gz QCHFOQGGUYDKFU-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN O=[N+]([O-])c1ccc(-c2nnc(SCc3ccccc3)o2)cc1 ZINC000000315262 563587290 /nfs/dbraw/zinc/58/72/90/563587290.db2.gz GSTDADMQZFZMJY-UHFFFAOYSA-N 0 0 313.338 3.937 50 5 DHBARN O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1nc2ccccc2s1 ZINC000000310197 563587567 /nfs/dbraw/zinc/58/75/67/563587567.db2.gz CBIRHQBQOSDSFG-UHFFFAOYSA-N 0 0 324.317 3.978 50 5 DHBARN O=C(Nc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000000311768 563587730 /nfs/dbraw/zinc/58/77/30/563587730.db2.gz GIMYNEPZWBFCLP-UHFFFAOYSA-N 0 0 310.231 3.866 50 5 DHBARN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000000435936 563613854 /nfs/dbraw/zinc/61/38/54/563613854.db2.gz XFPPSSNWCYDUNC-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN O=[N+]([O-])c1cccc(-c2nc(-c3ccccc3Cl)no2)c1 ZINC000000430470 563614007 /nfs/dbraw/zinc/61/40/07/563614007.db2.gz JSBCRLLSBQYEQS-UHFFFAOYSA-N 0 0 301.689 3.965 50 5 DHBARN O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000000430955 563614092 /nfs/dbraw/zinc/61/40/92/563614092.db2.gz LTRPFJMERNNGGH-USFYMYEYSA-N 0 0 320.304 3.604 50 5 DHBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1csc2c1CCCC2 ZINC000000443255 563614395 /nfs/dbraw/zinc/61/43/95/563614395.db2.gz OFIDOFVFYNXVMT-UHFFFAOYSA-N 0 0 302.355 3.787 50 5 DHBARN O=C(NCCC1=CCCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000442420 563614642 /nfs/dbraw/zinc/61/46/42/563614642.db2.gz HSUXYGVLNDCRAC-UHFFFAOYSA-N 0 0 308.765 3.869 50 5 DHBARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000000442338 563615030 /nfs/dbraw/zinc/61/50/30/563615030.db2.gz HQHGTAFXRZLEOC-MRXNPFEDSA-N 0 0 314.341 3.699 50 5 DHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCCc2ccccc21 ZINC000000456581 563615477 /nfs/dbraw/zinc/61/54/77/563615477.db2.gz SLFDVMGOZYDXOD-ZHACJKMWSA-N 0 0 308.337 3.587 50 5 DHBARN Cc1cc(C)c(/C(=C2/OC(=O)c3ccccc32)[N+](=O)[O-])cc1C ZINC000000295953 563616070 /nfs/dbraw/zinc/61/60/70/563616070.db2.gz DWNWOBJVFUNKNV-MSUUIHNZSA-N 0 0 309.321 3.885 50 5 DHBARN C[C@@H](Nc1ncc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000048552517 563699139 /nfs/dbraw/zinc/69/91/39/563699139.db2.gz AQJCSYPKGYPFOF-SECBINFHSA-N 0 0 322.162 3.925 50 5 DHBARN CN(CC(F)F)C(=O)c1cc2ccccc2c2cccnc12 ZINC000225541657 563757702 /nfs/dbraw/zinc/75/77/02/563757702.db2.gz DPURGLCANBUMNL-UHFFFAOYSA-N 0 0 300.308 3.725 50 5 DHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)C1CC1 ZINC000025060852 563781574 /nfs/dbraw/zinc/78/15/74/563781574.db2.gz JNLNSHBSQQYGRF-FMIVXFBMSA-N 0 0 322.364 3.799 50 5 DHBARN O=[N+]([O-])c1ccc(CSc2nc3cc(Cl)cnc3[nH]2)cc1 ZINC000001314289 563811621 /nfs/dbraw/zinc/81/16/21/563811621.db2.gz AMSTZDLVZWORJV-UHFFFAOYSA-N 0 0 320.761 3.812 50 5 DHBARN O=C(NCc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000001392846 563816090 /nfs/dbraw/zinc/81/60/90/563816090.db2.gz CZAOVXBXYUIQKH-UHFFFAOYSA-N 0 0 312.350 3.740 50 5 DHBARN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCCc2sccc21 ZINC000192491881 563886229 /nfs/dbraw/zinc/88/62/29/563886229.db2.gz XMGHBFNHAURJND-LBPRGKRZSA-N 0 0 316.382 3.772 50 5 DHBARN O=[N+]([O-])c1c(Br)cccc1N1CCC(F)(F)CC1 ZINC000169725358 563896000 /nfs/dbraw/zinc/89/60/00/563896000.db2.gz AAJYVXHQDOSEDX-UHFFFAOYSA-N 0 0 321.121 3.593 50 5 DHBARN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012137631 563928601 /nfs/dbraw/zinc/92/86/01/563928601.db2.gz FNRQLNBKNKKQAK-INIZCTEOSA-N 0 0 314.341 3.699 50 5 DHBARN CC(C)CCC[C@H](C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000012382198 563928628 /nfs/dbraw/zinc/92/86/28/563928628.db2.gz HPWWYKDCDRVFNW-VNDWYCCKSA-N 0 0 304.390 3.939 50 5 DHBARN Cc1c(C(=O)N(Cc2ccccc2)C2CC2)cccc1[N+](=O)[O-] ZINC000012802781 563928925 /nfs/dbraw/zinc/92/89/25/563928925.db2.gz BAXQXBIYYIYVJZ-UHFFFAOYSA-N 0 0 310.353 3.708 50 5 DHBARN Cc1cc(C(=O)OCc2cccc([N+](=O)[O-])c2)c2ccccc2n1 ZINC000002617203 563939603 /nfs/dbraw/zinc/93/96/03/563939603.db2.gz SCPATRHSKKXQKO-UHFFFAOYSA-N 0 0 322.320 3.808 50 5 DHBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(C(F)(F)F)c1 ZINC000002627685 563939637 /nfs/dbraw/zinc/93/96/37/563939637.db2.gz BBVMHFWMIQTCPJ-UHFFFAOYSA-N 0 0 324.258 3.795 50 5 DHBARN COc1ccc(C(C)=O)cc1COc1cc(F)ccc1[N+](=O)[O-] ZINC000002644236 563940122 /nfs/dbraw/zinc/94/01/22/563940122.db2.gz RLCHFPJPJGZRJT-UHFFFAOYSA-N 0 0 319.288 3.524 50 5 DHBARN Cc1nc(CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)cs1 ZINC000002710609 563940440 /nfs/dbraw/zinc/94/04/40/563940440.db2.gz DICYSXWBMATIFP-UHFFFAOYSA-N 0 0 306.372 3.528 50 5 DHBARN CSc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000002876528 563941094 /nfs/dbraw/zinc/94/10/94/563941094.db2.gz VUYMPWOMZJMZTG-UHFFFAOYSA-N 0 0 302.355 3.877 50 5 DHBARN COC(=O)c1ccc(COc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000029751153 563941513 /nfs/dbraw/zinc/94/15/13/563941513.db2.gz LCJZNHUKWBKZKY-UHFFFAOYSA-N 0 0 315.325 3.577 50 5 DHBARN CCc1ccc(NC(=O)CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000031483053 563944663 /nfs/dbraw/zinc/94/46/63/563944663.db2.gz UIKXDXVBFYEEOZ-UHFFFAOYSA-N 0 0 314.341 3.565 50 5 DHBARN O=[N+]([O-])c1ccc(Nc2n[nH]c(-c3ccccc3Cl)n2)cc1 ZINC000008703370 563949707 /nfs/dbraw/zinc/94/97/07/563949707.db2.gz CNNGEWIXLJEJIN-UHFFFAOYSA-N 0 0 315.720 3.777 50 5 DHBARN CC1=C(C)[C@H](Nc2ccc([N+](=O)[O-])cc2)N(CCC(C)C)C1=O ZINC000008916660 563951293 /nfs/dbraw/zinc/95/12/93/563951293.db2.gz PPHNQGXGUYUSLR-MRXNPFEDSA-N 0 0 317.389 3.558 50 5 DHBARN Cc1cc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000009112006 563952512 /nfs/dbraw/zinc/95/25/12/563952512.db2.gz HHSLSEQLWQJNEK-BBRMVZONSA-N 0 0 302.374 3.698 50 5 DHBARN Cc1ccc(F)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000001000184 568417097 /nfs/dbraw/zinc/41/70/97/568417097.db2.gz FKRQBEONGGSIGU-SOFGYWHQSA-N 0 0 300.289 3.694 50 5 DHBARN O=[N+]([O-])c1ccc(/C=C\Sc2ncnc3ccsc32)o1 ZINC000098054345 1015489784 /nfs/dbraw/zinc/48/97/84/1015489784.db2.gz ITAKSZHTQZAING-HYXAFXHYSA-N 0 0 305.340 3.956 50 5 DHBARN CCCCOc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002024625 1032378625 /nfs/dbraw/zinc/37/86/25/1032378625.db2.gz CDGRPBWCDJWMMT-UHFFFAOYSA-N 0 0 315.325 3.993 50 5 DHBARN Cc1cc(C(=O)NCCc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000000461520 1019925262 /nfs/dbraw/zinc/92/52/62/1019925262.db2.gz UYHDGJOGXDPSGG-UHFFFAOYSA-N 0 0 318.760 3.529 50 5 DHBARN C[C@H](Sc1nnc(NC2CC2)s1)c1cccc([N+](=O)[O-])c1 ZINC000007853421 1022626381 /nfs/dbraw/zinc/62/63/81/1022626381.db2.gz KPXUSKGOMQHKBG-QMMMGPOBSA-N 0 0 322.415 3.874 50 5 DHBARN C[C@@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000675029873 1022768183 /nfs/dbraw/zinc/76/81/83/1022768183.db2.gz RDPLGSVCBSGDOW-GHMZBOCLSA-N 0 0 304.371 3.637 50 5 DHBARN CSc1ccccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000000609805 1023511271 /nfs/dbraw/zinc/51/12/71/1023511271.db2.gz LUZLERWPZPWFPS-UHFFFAOYSA-N 0 0 302.355 3.877 50 5 DHBARN Cc1c(NC(=S)Nc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000000587910 1024506922 /nfs/dbraw/zinc/50/69/22/1024506922.db2.gz OJIRMIBVJUFVGC-UHFFFAOYSA-N 0 0 305.334 3.851 50 5 DHBARN COc1ccc(Cl)cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])o1 ZINC000007945978 1027922745 /nfs/dbraw/zinc/92/27/45/1027922745.db2.gz NLESYORSQCNNDN-ZZXKWVIFSA-N 0 0 322.704 3.502 50 5 DHBARN Cc1csc([C@H](NCc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000095403011 185354811 /nfs/dbraw/zinc/35/48/11/185354811.db2.gz IUJZNGMGHSJOGG-CQSZACIVSA-N 0 0 303.387 3.601 50 5 DHBARN CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000144398 180707287 /nfs/dbraw/zinc/70/72/87/180707287.db2.gz ADEIRPBHYOUENH-UHFFFAOYSA-N 0 0 300.314 3.634 50 5 DHBARN Cc1ccc(-n2cc(C=O)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000000732190 180832064 /nfs/dbraw/zinc/83/20/64/180832064.db2.gz DCEVNQYGNZHCCP-UHFFFAOYSA-N 0 0 307.309 3.568 50 5 DHBARN Cc1cc2ccccn2c1[C@@H](C[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000003207288 180991722 /nfs/dbraw/zinc/99/17/22/180991722.db2.gz APASNXBLYGIDKZ-SFHVURJKSA-N 0 0 323.396 3.722 50 5 DHBARN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000003566711 181035524 /nfs/dbraw/zinc/03/55/24/181035524.db2.gz GGUCEKQVOWOZNH-UHFFFAOYSA-N 0 0 310.231 3.866 50 5 DHBARN O=[N+]([O-])c1ccc(NCCc2nc3ccccc3[nH]2)c(Cl)c1 ZINC000003878106 181051450 /nfs/dbraw/zinc/05/14/50/181051450.db2.gz BGAGBDAFWIXVCJ-UHFFFAOYSA-N 0 0 316.748 3.779 50 5 DHBARN O=[N+]([O-])c1ccc(-n2nncc2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000003900019 181054103 /nfs/dbraw/zinc/05/41/03/181054103.db2.gz SMIRXXSRODYDGQ-UHFFFAOYSA-N 0 0 324.384 3.643 50 5 DHBARN CCOc1ccc(NC(=O)/C=C/c2ccccc2)c([N+](=O)[O-])c1 ZINC000003898517 181054115 /nfs/dbraw/zinc/05/41/15/181054115.db2.gz HCNBMZCOWFXACF-DHZHZOJOSA-N 0 0 312.325 3.645 50 5 DHBARN CCOc1ccc(NC(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000004031840 181065420 /nfs/dbraw/zinc/06/54/20/181065420.db2.gz ZPDGNSDSBYPPCN-UHFFFAOYSA-N 0 0 320.732 3.899 50 5 DHBARN CCOc1ccc(Nc2ncnc3ccc([N+](=O)[O-])cc32)cc1 ZINC000004054373 181067241 /nfs/dbraw/zinc/06/72/41/181067241.db2.gz HVWSIKMVMCBTKE-UHFFFAOYSA-N 0 0 310.313 3.680 50 5 DHBARN Cc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])s2)c(C)c1 ZINC000004078795 181070593 /nfs/dbraw/zinc/07/05/93/181070593.db2.gz QKGGUPYBZFVEPV-QPJJXVBHSA-N 0 0 302.355 3.925 50 5 aggregator DHBARN COc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1OC(C)C ZINC000004513148 181118308 /nfs/dbraw/zinc/11/83/08/181118308.db2.gz LAGYOGIKOKPZEG-SOFGYWHQSA-N 0 0 318.329 3.857 50 5 DHBARN COc1ccc(OCCNc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000004551094 181123708 /nfs/dbraw/zinc/12/37/08/181123708.db2.gz QZMYYCZPWYEOFP-UHFFFAOYSA-N 0 0 322.748 3.748 50 5 DHBARN CC1=C(C)[C@H](Nc2cccc([N+](=O)[O-])c2)N(CCC(C)C)C1=O ZINC000004561899 181124817 /nfs/dbraw/zinc/12/48/17/181124817.db2.gz CLYXXHLUDRDFPO-MRXNPFEDSA-N 0 0 317.389 3.558 50 5 DHBARN Cc1cc(C)cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000004695589 181137804 /nfs/dbraw/zinc/13/78/04/181137804.db2.gz AILQSURPWMQDSL-UHFFFAOYSA-N 0 0 314.341 3.538 50 5 DHBARN N=c1oc2ccc3ccccc3c2cc1C(=O)Nc1ccccn1 ZINC000004728739 181143957 /nfs/dbraw/zinc/14/39/57/181143957.db2.gz UUUAGSRMCPMIBY-UHFFFAOYSA-N 0 0 315.332 3.713 50 5 DHBARN Cc1occc1C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000004749982 181147750 /nfs/dbraw/zinc/14/77/50/181147750.db2.gz WUBWQUDDFIFSKA-UHFFFAOYSA-N 0 0 314.219 3.767 50 5 DHBARN CC[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000004754436 181148260 /nfs/dbraw/zinc/14/82/60/181148260.db2.gz QOTHRWJWXMHTBV-CQSZACIVSA-N 0 0 314.341 3.736 50 5 DHBARN O=C(Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cccs1 ZINC000004777410 181151439 /nfs/dbraw/zinc/15/14/39/181151439.db2.gz LIFASHLOABNZSW-UHFFFAOYSA-N 0 0 316.260 3.927 50 5 DHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(C)c(Cl)c1 ZINC000004819023 181156021 /nfs/dbraw/zinc/15/60/21/181156021.db2.gz ZBLJLSVOHXQFQY-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN O=C(c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCCC1 ZINC000004856164 181163976 /nfs/dbraw/zinc/16/39/76/181163976.db2.gz BDCUIMGXRQNLKZ-UHFFFAOYSA-N 0 0 312.325 3.623 50 5 DHBARN COc1ccc(NC(=O)c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000004842992 181162058 /nfs/dbraw/zinc/16/20/58/181162058.db2.gz FGFVKPOJTDFGEO-UHFFFAOYSA-N 0 0 312.281 3.602 50 5 DHBARN CCOc1ccc(NC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000004845465 181162704 /nfs/dbraw/zinc/16/27/04/181162704.db2.gz GAAJPJHBSWRCFR-UHFFFAOYSA-N 0 0 320.732 3.899 50 5 DHBARN COc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000004852079 181163208 /nfs/dbraw/zinc/16/32/08/181163208.db2.gz CZJWOOZDYYIQMS-UHFFFAOYSA-N 0 0 321.716 3.614 50 5 DHBARN C[C@H](NC(=O)CSc1ccsc1[N+](=O)[O-])c1ccccc1 ZINC000005035968 181194587 /nfs/dbraw/zinc/19/45/87/181194587.db2.gz DXRWLUWLZLFLJQ-JTQLQIEISA-N 0 0 322.411 3.626 50 5 DHBARN Cc1ccc(NC(=O)Cc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000005092435 181203316 /nfs/dbraw/zinc/20/33/16/181203316.db2.gz XCOGFAIISNAURB-UHFFFAOYSA-N 0 0 304.733 3.738 50 5 DHBARN CCOc1ccccc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005178133 181213881 /nfs/dbraw/zinc/21/38/81/181213881.db2.gz YDSSTXUEYAVMQR-UHFFFAOYSA-N 0 0 303.274 3.645 50 5 DHBARN CCOc1ccc(NC(=O)Nc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000005175257 181213131 /nfs/dbraw/zinc/21/31/31/181213131.db2.gz HCYLCBKGEAQTBF-UHFFFAOYSA-N 0 0 315.329 3.946 50 5 DHBARN CSc1ccc(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000005559722 181257302 /nfs/dbraw/zinc/25/73/02/181257302.db2.gz ZQSCCZLIKIMYEI-UHFFFAOYSA-N 0 0 302.355 3.877 50 5 DHBARN O=C(Nc1ccc2c(c1)CCC2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005611109 181263564 /nfs/dbraw/zinc/26/35/64/181263564.db2.gz WESFYSUYKATFNA-UHFFFAOYSA-N 0 0 316.744 3.989 50 5 DHBARN COc1ccc(C(=O)O[C@@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000005739741 181279431 /nfs/dbraw/zinc/27/94/31/181279431.db2.gz WTXKKWPFLBGLPK-JTQLQIEISA-N 0 0 319.288 3.661 50 5 DHBARN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C1CCCC1 ZINC000006333558 181330786 /nfs/dbraw/zinc/33/07/86/181330786.db2.gz HVDVHGKFKHWAPF-UHFFFAOYSA-N 0 0 317.370 3.847 50 5 DHBARN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000006790711 181389934 /nfs/dbraw/zinc/38/99/34/181389934.db2.gz MQHIWXGLRFOJEZ-VIFPVBQESA-N 0 0 322.723 3.878 50 5 DHBARN O=Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@H]1c1cccnc1 ZINC000008764439 181584569 /nfs/dbraw/zinc/58/45/69/181584569.db2.gz NGYAZMIBVPVMOP-INIZCTEOSA-N 0 0 311.341 3.534 50 5 biogenic DHBARN Cc1ncccc1OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000096501105 193673130 /nfs/dbraw/zinc/67/31/30/193673130.db2.gz FIZSWVGXOYTWED-UHFFFAOYSA-N 0 0 311.297 3.532 50 5 DHBARN CN(Cc1cccs1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000012911712 181810657 /nfs/dbraw/zinc/81/06/57/181810657.db2.gz ZCZWWLIHHKWBAE-UHFFFAOYSA-N 0 0 310.762 3.582 50 5 DHBARN Cc1ccc(NC(=O)N2CCC[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000015837932 182020911 /nfs/dbraw/zinc/02/09/11/182020911.db2.gz KDJNDJRUMRFTGX-ZDUSSCGKSA-N 0 0 315.329 3.865 50 5 DHBARN O=[N+]([O-])c1ccc(OCc2cc3c(c(Cl)c2)OCO3)cc1 ZINC000016341100 182041388 /nfs/dbraw/zinc/04/13/88/182041388.db2.gz JPTFFNULBVXCOR-UHFFFAOYSA-N 0 0 307.689 3.556 50 5 DHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1c2ccccc2C[C@@H]1C ZINC000017032278 182070189 /nfs/dbraw/zinc/07/01/89/182070189.db2.gz SYDYJXWGUBIGPZ-LBPRGKRZSA-N 0 0 311.341 3.886 50 5 DHBARN COc1ccc(NC(=S)Nc2ccccc2F)c([N+](=O)[O-])c1 ZINC000017055667 182072613 /nfs/dbraw/zinc/07/26/13/182072613.db2.gz XGWVWBITGHIWEF-UHFFFAOYSA-N 0 0 321.333 3.551 50 5 DHBARN O=C(NCCc1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000018177220 182096516 /nfs/dbraw/zinc/09/65/16/182096516.db2.gz HETXUPXYFNOUQD-UHFFFAOYSA-N 0 0 319.748 3.612 50 5 DHBARN O=[N+]([O-])c1cc(CN2CCc3ccccc3C2)ccc1Cl ZINC000019536369 182129054 /nfs/dbraw/zinc/12/90/54/182129054.db2.gz TXCKGTQOQKNTCU-UHFFFAOYSA-N 0 0 302.761 3.807 50 5 DHBARN CCCc1noc(-c2ccc(NC3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000020898017 182252379 /nfs/dbraw/zinc/25/23/79/182252379.db2.gz IXEDIMSNQHYVQH-UHFFFAOYSA-N 0 0 316.361 3.952 50 5 DHBARN O=[N+]([O-])c1ccc(Sc2nc3ccccc3n2C(F)F)nc1 ZINC000022420198 182321604 /nfs/dbraw/zinc/32/16/04/182321604.db2.gz QGCKHLLXQRZZHD-UHFFFAOYSA-N 0 0 322.296 3.886 50 5 DHBARN CCN(Cc1cccc(F)c1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000024452205 182380964 /nfs/dbraw/zinc/38/09/64/182380964.db2.gz WUKPVKVXOWTCOE-UHFFFAOYSA-N 0 0 322.361 3.766 50 5 DHBARN Cc1ccc(NC(=O)c2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000024842811 182393239 /nfs/dbraw/zinc/39/32/39/182393239.db2.gz NEVRSPUXALXYLX-UHFFFAOYSA-N 0 0 322.267 3.757 50 5 DHBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1F ZINC000033316268 182703381 /nfs/dbraw/zinc/70/33/81/182703381.db2.gz RUGASMMRAOJUNC-BAQGIRSFSA-N 0 0 304.252 3.525 50 5 DHBARN CN(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000040099046 183034723 /nfs/dbraw/zinc/03/47/23/183034723.db2.gz YGFZNYPABKJDLT-UHFFFAOYSA-N 0 0 319.748 3.912 50 5 DHBARN O=C(Nc1ccc(Oc2ccc(F)cc2[N+](=O)[O-])cc1)C1CC1 ZINC000052390315 183859462 /nfs/dbraw/zinc/85/94/62/183859462.db2.gz IXMMRDRZAJXNAA-UHFFFAOYSA-N 0 0 316.288 3.875 50 5 DHBARN C[C@H]1c2ccccc2CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000341067982 257236617 /nfs/dbraw/zinc/23/66/17/257236617.db2.gz SCMYEENDWKTWEF-ZDUSSCGKSA-N 0 0 310.353 3.631 50 5 DHBARN Cc1cc2cc(NC(=O)c3ccc([N+](=O)[O-])s3)ccc2[nH]1 ZINC000032818542 563398208 /nfs/dbraw/zinc/39/82/08/563398208.db2.gz PCPXHCSOXSTLHE-UHFFFAOYSA-N 0 0 301.327 3.698 50 5 DHBARN CC(=O)Nc1ccc(NCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000096427505 563481615 /nfs/dbraw/zinc/48/16/15/563481615.db2.gz HMFCZIZHKSDWCC-UHFFFAOYSA-N 0 0 319.748 3.819 50 5 DHBARN Cc1ncc([N+](=O)[O-])n1CCSc1nc2ccccc2s1 ZINC000000020833 563487706 /nfs/dbraw/zinc/48/77/06/563487706.db2.gz SENAYCDVBMOTJZ-UHFFFAOYSA-N 0 0 320.399 3.502 50 5 DHBARN Cc1c(NC(=O)COc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000000038844 563505225 /nfs/dbraw/zinc/50/52/25/563505225.db2.gz JYBBTKUULQMUCL-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN COc1ccc(C)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000060389 563517044 /nfs/dbraw/zinc/51/70/44/563517044.db2.gz XNVWXMFYYKQOOM-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN CCOc1ccccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000000102982 563543461 /nfs/dbraw/zinc/54/34/61/563543461.db2.gz ZLIACEUNKASXTF-UHFFFAOYSA-N 0 0 300.314 3.554 50 5 DHBARN COc1ccc([N+](=O)[O-])c(C[C@H]2c3ccccc3C=CN2C)c1 ZINC000071775033 563557948 /nfs/dbraw/zinc/55/79/48/563557948.db2.gz PONWIMNTPYOGAF-SFHVURJKSA-N 0 0 310.353 3.803 50 5 DHBARN O=[N+]([O-])c1cccc(-c2noc(-c3c(F)cccc3F)n2)c1 ZINC000000150542 563573238 /nfs/dbraw/zinc/57/32/38/563573238.db2.gz QPOAACJCNGJXGA-UHFFFAOYSA-N 0 0 303.224 3.590 50 5 DHBARN O=C(Nc1ccc(Cl)cc1)c1c(F)ccc([N+](=O)[O-])c1F ZINC000000165783 563573873 /nfs/dbraw/zinc/57/38/73/563573873.db2.gz MPLBMQKIDNSWRE-UHFFFAOYSA-N 0 0 312.659 3.779 50 5 DHBARN COc1ccccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000000168295 563574612 /nfs/dbraw/zinc/57/46/12/563574612.db2.gz BXAZEJYUXQGMQH-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN Cc1cc(C(=O)Nc2cc(Cl)ccc2O)ccc1[N+](=O)[O-] ZINC000000239000 563580025 /nfs/dbraw/zinc/58/00/25/563580025.db2.gz SDNIZKJWHITTPT-UHFFFAOYSA-N 0 0 306.705 3.515 50 5 DHBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000000239823 563580365 /nfs/dbraw/zinc/58/03/65/563580365.db2.gz JLCXWYPZAHWPAJ-YPMHNXCESA-N 0 0 322.792 3.901 50 5 DHBARN CC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000000259082 563582411 /nfs/dbraw/zinc/58/24/11/563582411.db2.gz YVCRQSKRTNYSJT-UHFFFAOYSA-N 0 0 318.716 3.703 50 5 DHBARN Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1[N+](=O)[O-] ZINC000000380116 563591399 /nfs/dbraw/zinc/59/13/99/563591399.db2.gz FZTQKTRYQFCZHU-UHFFFAOYSA-N 0 0 300.145 3.763 50 5 DHBARN O=C(Nc1ccc(Cl)cn1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000381259 563591433 /nfs/dbraw/zinc/59/14/33/563591433.db2.gz JFJXOGJWDLRAHZ-UHFFFAOYSA-N 0 0 312.112 3.549 50 5 DHBARN COc1ccc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000005002692 563595712 /nfs/dbraw/zinc/59/57/12/563595712.db2.gz NLKJMXVTKCSLGP-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1F ZINC000000423987 563612118 /nfs/dbraw/zinc/61/21/18/563612118.db2.gz IHPGVJDYGWIARM-HNNXBMFYSA-N 0 0 318.329 3.513 50 5 DHBARN O=C1CS[C@@H](c2ccccc2[N+](=O)[O-])N1c1cccc(F)c1 ZINC000000423816 563612278 /nfs/dbraw/zinc/61/22/78/563612278.db2.gz QXKXBABVPWCGJB-HNNXBMFYSA-N 0 0 318.329 3.513 50 5 DHBARN O=[N+]([O-])c1cccc(-c2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000000430469 563613954 /nfs/dbraw/zinc/61/39/54/563613954.db2.gz RIWIKYQSVVZNGJ-UHFFFAOYSA-N 0 0 301.689 3.965 50 5 DHBARN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000000445631 563614375 /nfs/dbraw/zinc/61/43/75/563614375.db2.gz OLWBHMOLQGHBTQ-UHFFFAOYSA-N 0 0 320.732 3.899 50 5 DHBARN O=C(NCCC1=CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000441732 563614633 /nfs/dbraw/zinc/61/46/33/563614633.db2.gz YNDMIHODAMPJMP-UHFFFAOYSA-N 0 0 308.765 3.869 50 5 DHBARN CCN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1C ZINC000000442287 563614685 /nfs/dbraw/zinc/61/46/85/563614685.db2.gz PRYNDETXJJHGJC-VAWYXSNFSA-N 0 0 310.353 3.970 50 5 DHBARN COc1ccc(Cl)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000000457083 563615787 /nfs/dbraw/zinc/61/57/87/563615787.db2.gz QJGVETOTGDWCDM-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN Cc1ccc2cccc(C(=O)N(C)c3ccc([N+](=O)[O-])cc3)c2n1 ZINC000180137261 563628623 /nfs/dbraw/zinc/62/86/23/563628623.db2.gz ZCTHEVPFGUHVCG-UHFFFAOYSA-N 0 0 321.336 3.728 50 5 DHBARN Cc1ccc(NC(=O)N(CCC(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000048345043 563697169 /nfs/dbraw/zinc/69/71/69/563697169.db2.gz INNUCBNKBLLWDR-UHFFFAOYSA-N 0 0 305.378 3.946 50 5 DHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)cc1Cl ZINC000000613980 563698796 /nfs/dbraw/zinc/69/87/96/563698796.db2.gz FKANEUODTKJYEC-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN CC[C@H](Oc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000000617600 563698971 /nfs/dbraw/zinc/69/89/71/563698971.db2.gz RETZZTYLUSOCIQ-INIZCTEOSA-N 0 0 314.341 3.699 50 5 DHBARN COCc1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000025334832 563787437 /nfs/dbraw/zinc/78/74/37/563787437.db2.gz YVHUUYNLHWUTEM-UHFFFAOYSA-N 0 0 320.732 3.647 50 5 DHBARN O=[N+]([O-])c1ccc(-c2nc3ccccn3c2Br)cc1 ZINC000001390342 563815780 /nfs/dbraw/zinc/81/57/80/563815780.db2.gz TZYZRNQKAKPWBQ-UHFFFAOYSA-N 0 0 318.130 3.672 50 5 DHBARN O=C(NCCCC1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000012901537 563853109 /nfs/dbraw/zinc/85/31/09/563853109.db2.gz HCKXUKFZUKMSTP-UHFFFAOYSA-N 0 0 310.781 3.948 50 5 DHBARN Cc1cc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000012901070 563853217 /nfs/dbraw/zinc/85/32/17/563853217.db2.gz SGFBVNCKAFYKQV-IIAWOOMASA-N 0 0 316.401 3.992 50 5 DHBARN CCc1ccc(Oc2ncncc2Br)c([N+](=O)[O-])c1 ZINC000090783107 563875615 /nfs/dbraw/zinc/87/56/15/563875615.db2.gz PJWSRQYDLDTEPC-UHFFFAOYSA-N 0 0 324.134 3.502 50 5 DHBARN O=C(Nc1nc2ccc(F)cc2s1)c1cccc([N+](=O)[O-])c1 ZINC000001863925 563882726 /nfs/dbraw/zinc/88/27/26/563882726.db2.gz QVVKMVAKUMTSJN-UHFFFAOYSA-N 0 0 317.301 3.596 50 5 DHBARN Oc1ccc(-c2c3c[nH]nc3nc3c4ccc(O)cc4oc32)cc1 ZINC000096222420 563890360 /nfs/dbraw/zinc/89/03/60/563890360.db2.gz IFCHZVNEHGVZGO-UHFFFAOYSA-N 0 0 317.304 3.936 50 5 biogenic DHBARN O=[N+]([O-])c1ccc2ncnc(Nc3ccc(F)c(F)c3)c2c1 ZINC000006862943 563897052 /nfs/dbraw/zinc/89/70/52/563897052.db2.gz XSQMYFTXSXHPDQ-UHFFFAOYSA-N 0 0 302.240 3.560 50 5 DHBARN CCC(=O)N1N=C(c2ccccc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000170618995 563908541 /nfs/dbraw/zinc/90/85/41/563908541.db2.gz RZSHNDZOLPDEBE-QGZVFWFLSA-N 0 0 323.352 3.683 50 5 DHBARN CC[C@@H](OC(=O)c1oc(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000089845947 563911463 /nfs/dbraw/zinc/91/14/63/563911463.db2.gz OMVAWYAMQPEVEN-CYBMUJFWSA-N 0 0 304.302 3.508 50 5 DHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCc2ccccc21 ZINC000017032267 563912580 /nfs/dbraw/zinc/91/25/80/563912580.db2.gz RZESMGDYEHFPAR-UHFFFAOYSA-N 0 0 311.341 3.888 50 5 DHBARN CC(=O)Nc1ccc(SCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000007705105 563918032 /nfs/dbraw/zinc/91/80/32/563918032.db2.gz GQLSQKHDDXQIDN-UHFFFAOYSA-N 0 0 302.355 3.846 50 5 DHBARN COc1ccc(-n2c(C)nc3cc4ccccc4cc3c2=O)cc1 ZINC000019910035 563930576 /nfs/dbraw/zinc/93/05/76/563930576.db2.gz QOBXWCIKFVIICL-UHFFFAOYSA-N 0 0 316.360 3.856 50 5 DHBARN C[C@H](CCC(=O)c1cccc([N+](=O)[O-])c1)C1OCC(C)(C)CO1 ZINC000095932579 563931975 /nfs/dbraw/zinc/93/19/75/563931975.db2.gz CKDNIDWJPZOBQE-GFCCVEGCSA-N 0 0 321.373 3.593 50 5 DHBARN CCCCN(CCCC)C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002741894 563940598 /nfs/dbraw/zinc/94/05/98/563940598.db2.gz CARVKPVRRDRGSO-UHFFFAOYSA-N 0 0 323.349 3.545 50 5 DHBARN Cc1ccc(C(=O)N2CCC[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000029797039 563941395 /nfs/dbraw/zinc/94/13/95/563941395.db2.gz KHBBVTTWVIHIFY-ZDUSSCGKSA-N 0 0 316.382 3.942 50 5 DHBARN O=C(OCc1nc2ccccc2s1)c1ccc([N+](=O)[O-])s1 ZINC000003199241 563942743 /nfs/dbraw/zinc/94/27/43/563942743.db2.gz XFLJROQOZWHMTG-UHFFFAOYSA-N 0 0 320.351 3.623 50 5 DHBARN Cc1cccc(C(=O)N2CCCc3cc(F)ccc32)c1[N+](=O)[O-] ZINC000057986160 563943553 /nfs/dbraw/zinc/94/35/53/563943553.db2.gz GRFLUYVSOFTMRO-UHFFFAOYSA-N 0 0 314.316 3.635 50 5 DHBARN O=[N+]([O-])c1ccc(N2CCC[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000007981765 563945973 /nfs/dbraw/zinc/94/59/73/563945973.db2.gz CEKAQAPHAPZRPU-LBPRGKRZSA-N 0 0 319.342 3.906 50 5 DHBARN O=C(NCc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000072331451 191125112 /nfs/dbraw/zinc/12/51/12/191125112.db2.gz OKCZADZOYASFEC-UHFFFAOYSA-N 0 0 324.258 3.544 50 5 DHBARN Cc1ccc(Cl)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000000133302 180704219 /nfs/dbraw/zinc/70/42/19/180704219.db2.gz BVMVBOQJMOVYKV-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN Cc1ccc2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2n1 ZINC000000999400 180839858 /nfs/dbraw/zinc/83/98/58/180839858.db2.gz IFQOVZQSKSBNQI-UHFFFAOYSA-N 0 0 307.309 3.704 50 5 DHBARN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000002168652 180913296 /nfs/dbraw/zinc/91/32/96/180913296.db2.gz DPQYRXNRGNLPFC-UHFFFAOYSA-N 0 0 304.995 3.829 50 5 DHBARN Cc1ccc(C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000002534526 180932389 /nfs/dbraw/zinc/93/23/89/180932389.db2.gz DKSCGIVEGYUGNN-UHFFFAOYSA-N 0 0 305.717 3.914 50 5 DHBARN CSc1ccc(C(=O)NCC2CCCCC2)cc1[N+](=O)[O-] ZINC000003553813 181033739 /nfs/dbraw/zinc/03/37/39/181033739.db2.gz AKZJKSBNWVPMBV-UHFFFAOYSA-N 0 0 308.403 3.627 50 5 DHBARN Cc1ccc(F)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003566318 181036054 /nfs/dbraw/zinc/03/60/54/181036054.db2.gz RMHCEQAYKPPPDK-UHFFFAOYSA-N 0 0 308.696 3.948 50 5 DHBARN O=[N+]([O-])c1ccc2nonc2c1Nc1cccc(C(F)(F)F)c1 ZINC000003879050 181051716 /nfs/dbraw/zinc/05/17/16/181051716.db2.gz IBJZYVNVTABIBX-UHFFFAOYSA-N 0 0 324.218 3.893 50 5 DHBARN Cc1ccc2sc(NC(=O)c3ccc([N+](=O)[O-])o3)nc2c1C ZINC000004275352 181090582 /nfs/dbraw/zinc/09/05/82/181090582.db2.gz YJEURAOCQYCOCP-UHFFFAOYSA-N 0 0 317.326 3.667 50 5 DHBARN O=[N+]([O-])c1ccc(CSc2ccc(-c3ccncc3)nn2)cc1 ZINC000004358227 181101684 /nfs/dbraw/zinc/10/16/84/181101684.db2.gz STNZSVPWOATOAL-UHFFFAOYSA-N 0 0 324.365 3.739 50 5 DHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(SC)c1 ZINC000004517532 181118841 /nfs/dbraw/zinc/11/88/41/181118841.db2.gz FPWGRVFVYSHSSR-UHFFFAOYSA-N 0 0 318.354 3.578 50 5 DHBARN O=C(Nc1ccccc1[N+](=O)[O-])c1cc2c(s1)CCCC2 ZINC000004750286 181148338 /nfs/dbraw/zinc/14/83/38/181148338.db2.gz NRWLEVSKJMMYTR-UHFFFAOYSA-N 0 0 302.355 3.787 50 5 DHBARN Nc1cc(Br)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000004774772 181150273 /nfs/dbraw/zinc/15/02/73/181150273.db2.gz NOZIPGFSSPXNGD-UHFFFAOYSA-N 0 0 323.146 3.519 50 5 DHBARN Cc1ccc(Cl)cc1NC(=O)Nc1ccc([N+](=O)[O-])cn1 ZINC000004774104 181150599 /nfs/dbraw/zinc/15/05/99/181150599.db2.gz KMVZPGHHQWCHPZ-UHFFFAOYSA-N 0 0 306.709 3.596 50 5 DHBARN Cc1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C ZINC000004867534 181165918 /nfs/dbraw/zinc/16/59/18/181165918.db2.gz RYSGHVKXKXWXOL-UHFFFAOYSA-N 0 0 314.341 3.538 50 5 DHBARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000004902418 181170958 /nfs/dbraw/zinc/17/09/58/181170958.db2.gz WKAWXRIUKQNKJT-MRXNPFEDSA-N 0 0 314.341 3.699 50 5 DHBARN Cc1ccc(NC(=S)NCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000005041280 181195154 /nfs/dbraw/zinc/19/51/54/181195154.db2.gz FCVIXCALCKIXCJ-UHFFFAOYSA-N 0 0 319.361 3.529 50 5 DHBARN Cc1cccc(N2C(=O)CS[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000005187184 181214937 /nfs/dbraw/zinc/21/49/37/181214937.db2.gz NHHSMEDERMXGKA-INIZCTEOSA-N 0 0 314.366 3.682 50 5 DHBARN CC(C)Oc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000005191900 181215091 /nfs/dbraw/zinc/21/50/91/181215091.db2.gz RORVQBIFKLVFLB-UHFFFAOYSA-N 0 0 300.314 3.634 50 5 DHBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc2c(s1)CCC2 ZINC000005308588 181228360 /nfs/dbraw/zinc/22/83/60/181228360.db2.gz MEKAGUUBFHSZPF-UHFFFAOYSA-N 0 0 303.339 3.502 50 5 DHBARN O=[N+]([O-])c1c2nonc2ccc1Nc1ccc(F)c(Cl)c1 ZINC000005670832 181270168 /nfs/dbraw/zinc/27/01/68/181270168.db2.gz BFZNXAFREFMQDF-UHFFFAOYSA-N 0 0 308.656 3.667 50 5 DHBARN Cc1c(NC(=O)Cc2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000005825091 181286785 /nfs/dbraw/zinc/28/67/85/181286785.db2.gz GIJXPSHQXLNLEG-UHFFFAOYSA-N 0 0 304.733 3.738 50 5 DHBARN O=[N+]([O-])c1cc(Oc2ccc(Cl)cc2)cc(-n2cncn2)c1 ZINC000006667945 181367967 /nfs/dbraw/zinc/36/79/67/181367967.db2.gz UTLFRQHSRXRDSW-UHFFFAOYSA-N 0 0 316.704 3.621 50 5 DHBARN COc1ccc(NC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000006701122 181372929 /nfs/dbraw/zinc/37/29/29/181372929.db2.gz SWCDIPFVMVHRBJ-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)c1C ZINC000007609987 181479100 /nfs/dbraw/zinc/47/91/00/181479100.db2.gz CCUOVCGPOJTCLA-UHFFFAOYSA-N 0 0 313.357 3.530 50 5 DHBARN O=[N+]([O-])c1c(Cl)cc(Cl)cc1I ZINC000263624927 203488217 /nfs/dbraw/zinc/48/82/17/203488217.db2.gz VFUYFGYIBZQIJA-UHFFFAOYSA-N 0 0 317.897 3.506 50 5 DHBARN O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1CCCC1 ZINC000008921705 181591676 /nfs/dbraw/zinc/59/16/76/181591676.db2.gz WJSHERKQFORBBZ-UHFFFAOYSA-N 0 0 320.732 3.744 50 5 DHBARN CCOc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000015554601 182006552 /nfs/dbraw/zinc/00/65/52/182006552.db2.gz CVSUUIYQHABXAD-JTQLQIEISA-N 0 0 320.370 3.546 50 5 DHBARN Cc1cccc(NC(=S)Nc2ccc(N)c([N+](=O)[O-])c2)c1C ZINC000016238320 182038145 /nfs/dbraw/zinc/03/81/45/182038145.db2.gz JHQWVXWIUWIOCB-UHFFFAOYSA-N 0 0 316.386 3.603 50 5 DHBARN Cc1ccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000018182833 182097459 /nfs/dbraw/zinc/09/74/59/182097459.db2.gz RVYBCRVQJXNRPI-UKRRQHHQSA-N 0 0 302.374 3.698 50 5 DHBARN CN(Cc1cccc(Cl)c1Cl)c1ncccc1[N+](=O)[O-] ZINC000021363919 182273223 /nfs/dbraw/zinc/27/32/23/182273223.db2.gz IQKGOHZKIKMLGE-UHFFFAOYSA-N 0 0 312.156 3.933 50 5 DHBARN COc1cccc(OCCCCOc2ccccc2[N+](=O)[O-])c1 ZINC000022023101 182304829 /nfs/dbraw/zinc/30/48/29/182304829.db2.gz FLPHHTUERVZUHI-UHFFFAOYSA-N 0 0 317.341 3.841 50 5 DHBARN CC(=O)c1ccc(N(C)Cc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000024207315 182376705 /nfs/dbraw/zinc/37/67/05/182376705.db2.gz LGXYTRDFGWQMDM-UHFFFAOYSA-N 0 0 320.295 3.712 50 5 DHBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nc2ccccc2o1 ZINC000024862744 182393304 /nfs/dbraw/zinc/39/33/04/182393304.db2.gz PFOKFPCOBLGEMI-GFCCVEGCSA-N 0 0 311.341 3.929 50 5 DHBARN CC(=Cc1csc([N+](=O)[O-])c1)c1nc(=O)c2ccsc2[nH]1 ZINC000098053231 193778561 /nfs/dbraw/zinc/77/85/61/193778561.db2.gz POAONTGZMIEVPO-QPJJXVBHSA-N 0 0 319.367 3.515 50 5 DHBARN COc1ccc2ccccc2c1CNc1ncccc1[N+](=O)[O-] ZINC000029528435 182568856 /nfs/dbraw/zinc/56/88/56/182568856.db2.gz NORFCAFUQXXBMC-UHFFFAOYSA-N 0 0 309.325 3.764 50 5 DHBARN COc1ccc(NC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000034884204 182741246 /nfs/dbraw/zinc/74/12/46/182741246.db2.gz TUQDLFUJQWYPGT-NQBHXWOUSA-N 0 0 321.377 3.550 50 5 DHBARN COc1ccc(OC)c(Sc2ccc([N+](=O)[O-])cc2C=O)c1 ZINC000040450087 183068166 /nfs/dbraw/zinc/06/81/66/183068166.db2.gz BOQDRLQTTIBYHK-UHFFFAOYSA-N 0 0 319.338 3.576 50 5 DHBARN CO[C@@H](CNc1ccc(C(C)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000042739640 183303377 /nfs/dbraw/zinc/30/33/77/183303377.db2.gz XZBKMNNNSAERRA-KRWDZBQOSA-N 0 0 314.341 3.597 50 5 DHBARN CN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cl ZINC000043146307 183341227 /nfs/dbraw/zinc/34/12/27/183341227.db2.gz ZCQZREQBPAPRLK-UHFFFAOYSA-N 0 0 319.748 3.912 50 5 DHBARN Cc1cc([C@@H](C)Nc2nc3sccn3c2[N+](=O)[O-])c(C)o1 ZINC000044730831 183436404 /nfs/dbraw/zinc/43/64/04/183436404.db2.gz UESHHTVZYJHSJI-MRVPVSSYSA-N 0 0 306.347 3.687 50 5 DHBARN O=C(Nc1ccc(-c2ccccc2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000057994864 184065383 /nfs/dbraw/zinc/06/53/83/184065383.db2.gz DTMJAUZQDBEFOG-UHFFFAOYSA-N 0 0 319.320 3.909 50 5 DHBARN Cc1ccc(NC(=O)/C=C/c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000004902771 256517597 /nfs/dbraw/zinc/51/75/97/256517597.db2.gz AOCNFZNMHJOQLK-WEVVVXLNSA-N 0 0 300.289 3.694 50 5 DHBARN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(SC)cc1 ZINC000016833373 257217785 /nfs/dbraw/zinc/21/77/85/257217785.db2.gz MKVNWEDUMQEQKP-UHFFFAOYSA-N 0 0 318.354 3.578 50 5 DHBARN O=[N+]([O-])c1ccc([C@H]2CN[C@H](c3ccccc3Cl)O2)cc1 ZINC000019805834 257268994 /nfs/dbraw/zinc/26/89/94/257268994.db2.gz HDEINWKFOMDNAV-CABCVRRESA-N 0 0 304.733 3.608 50 5 DHBARN O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc([N+](=O)[O-])o1 ZINC000000451112 331462551 /nfs/dbraw/zinc/46/25/51/331462551.db2.gz RKUDBXPUQWKLJG-UHFFFAOYSA-N 0 0 308.293 3.692 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1-c1cc(C(=O)OC(C)(C)C)on1 ZINC000096034801 563935213 /nfs/dbraw/zinc/93/52/13/563935213.db2.gz XJNWSSYVYFGUJN-UHFFFAOYSA-N 0 0 304.302 3.514 50 5 DHBARN CSc1nc2c(sc3nc4ccccc4n32)c(SC)n1 ZINC000000383346 563248129 /nfs/dbraw/zinc/24/81/29/563248129.db2.gz SNDQPKSNGBKMSE-UHFFFAOYSA-N 0 0 318.452 3.936 50 5 DHBARN COc1ccc(OCCCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002906388 563355518 /nfs/dbraw/zinc/35/55/18/563355518.db2.gz ZEVWATMWPUYUDQ-UHFFFAOYSA-N 0 0 317.341 3.841 50 5 DHBARN CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O ZINC000012504479 563370520 /nfs/dbraw/zinc/37/05/20/563370520.db2.gz VNDWQCSOSCCWIP-UHFFFAOYSA-N 0 0 309.344 3.994 50 5 in-vivo DHBARN COc1ccc(CNc2ccc([N+](=O)[O-])cc2Cl)cc1O ZINC000032932657 563414064 /nfs/dbraw/zinc/41/40/64/563414064.db2.gz VVRLSYJIJRPOHF-UHFFFAOYSA-N 0 0 308.721 3.575 50 5 DHBARN Cc1ccc([C@@H](C)Nc2cnn(CC(F)F)c2)cc1[N+](=O)[O-] ZINC000097038005 563516527 /nfs/dbraw/zinc/51/65/27/563516527.db2.gz VQFZZALMXKHPRX-SNVBAGLBSA-N 0 0 310.304 3.538 50 5 DHBARN O=[N+]([O-])c1ccc2cnn(-c3cccc(C(F)(F)F)c3)c2c1 ZINC000000091586 563528453 /nfs/dbraw/zinc/52/84/53/563528453.db2.gz PTBMBTPBRSSVLG-UHFFFAOYSA-N 0 0 307.231 3.953 50 5 DHBARN CCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000000103132 563543133 /nfs/dbraw/zinc/54/31/33/563543133.db2.gz UXHKJVPAVGTXAD-UHFFFAOYSA-N 0 0 320.732 3.899 50 5 DHBARN COc1ccc(C(=O)Nc2c(C)cccc2Cl)cc1[N+](=O)[O-] ZINC000000103380 563544124 /nfs/dbraw/zinc/54/41/24/563544124.db2.gz FPEIHKLCTYTIPH-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN COc1cc(C(=O)Nc2ccccc2Cl)cc([N+](=O)[O-])c1 ZINC000014086200 563558668 /nfs/dbraw/zinc/55/86/68/563558668.db2.gz ABGSUNPUKMONBU-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN O=[N+]([O-])c1ccc(Sc2nnc3n2CCCCC3)c(Cl)c1 ZINC000014069204 563558683 /nfs/dbraw/zinc/55/86/83/563558683.db2.gz QIPONNQPOICZMM-UHFFFAOYSA-N 0 0 324.793 3.717 50 5 DHBARN O=[N+]([O-])c1cccc(F)c1CN1CCC(OC2CCCC2)CC1 ZINC000071800057 563559126 /nfs/dbraw/zinc/55/91/26/563559126.db2.gz KIZNQSANEPUURN-UHFFFAOYSA-N 0 0 322.380 3.658 50 5 DHBARN O=[N+]([O-])c1ccc(/C=C/c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000100170692 563568506 /nfs/dbraw/zinc/56/85/06/563568506.db2.gz ZFNHLPUHTFNCSA-AATRIKPKSA-N 0 0 315.241 3.582 50 5 DHBARN Cc1ccc(CSc2ccc([N+](=O)[O-])c3nonc32)cc1 ZINC000000168603 563574109 /nfs/dbraw/zinc/57/41/09/563574109.db2.gz NOHCHUOPLDKMBL-UHFFFAOYSA-N 0 0 301.327 3.732 50 5 DHBARN Cc1nc(NC(=O)c2cccc([N+](=O)[O-])c2)sc1C(C)(C)C ZINC000000241461 563580906 /nfs/dbraw/zinc/58/09/06/563580906.db2.gz DPGIIBXHFCPENC-UHFFFAOYSA-N 0 0 319.386 3.910 50 5 DHBARN COc1ccc(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000000246300 563581291 /nfs/dbraw/zinc/58/12/91/563581291.db2.gz POKOZDDDEZCEFN-UHFFFAOYSA-N 0 0 307.305 3.988 50 5 DHBARN O=C(Nc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000000259066 563582248 /nfs/dbraw/zinc/58/22/48/563582248.db2.gz AWXRQORTERQSGS-UHFFFAOYSA-N 0 0 312.659 3.779 50 5 DHBARN COc1ccc(Cl)cc1NC(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000000258373 563583009 /nfs/dbraw/zinc/58/30/09/563583009.db2.gz YQCHSBNPVLOXAX-UHFFFAOYSA-N 0 0 324.695 3.648 50 5 DHBARN COc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000000299203 563584703 /nfs/dbraw/zinc/58/47/03/563584703.db2.gz ZNLLPLVJKBIBNN-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(Cl)c1 ZINC000000308661 563586992 /nfs/dbraw/zinc/58/69/92/563586992.db2.gz HOLKTDDHRWZMCY-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN Cc1c(NC(=O)COc2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000000358770 563590122 /nfs/dbraw/zinc/59/01/22/563590122.db2.gz ZIRITEYGWHNXOB-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000044412198 563601387 /nfs/dbraw/zinc/60/13/87/563601387.db2.gz ZVDGIIRFVIDUPK-CYBMUJFWSA-N 0 0 320.345 3.773 50 5 DHBARN CN(C)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000442426 563615101 /nfs/dbraw/zinc/61/51/01/563615101.db2.gz FTHFMYNYEBWPCI-UHFFFAOYSA-N 0 0 319.748 3.567 50 5 DHBARN CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1C ZINC000000440412 563615131 /nfs/dbraw/zinc/61/51/31/563615131.db2.gz FYYWBHJINGWXRG-UHFFFAOYSA-N 0 0 314.341 3.579 50 5 DHBARN Cc1cc(C(=O)Nc2ccc(Cl)cc2F)ccc1[N+](=O)[O-] ZINC000000476321 563624192 /nfs/dbraw/zinc/62/41/92/563624192.db2.gz PAGMRKVFKIGCJT-UHFFFAOYSA-N 0 0 308.696 3.948 50 5 DHBARN COc1ccc(C(C)=O)cc1COc1ccc([N+](=O)[O-])c(C)c1 ZINC000000471792 563624238 /nfs/dbraw/zinc/62/42/38/563624238.db2.gz UNDUCXVGVTYZDA-UHFFFAOYSA-N 0 0 315.325 3.693 50 5 DHBARN C[C@@H](C(=O)N1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000000471789 563624924 /nfs/dbraw/zinc/62/49/24/563624924.db2.gz QCPYRJZVUNOBAE-CYBMUJFWSA-N 0 0 310.353 3.678 50 5 DHBARN Cc1nc(SCc2cccc([N+](=O)[O-])c2)nc2c1CCCC2 ZINC000000531669 563665201 /nfs/dbraw/zinc/66/52/01/563665201.db2.gz HEKXEPVBOVKFRW-UHFFFAOYSA-N 0 0 315.398 3.864 50 5 DHBARN O=[N+]([O-])c1cccc(-c2nc(-c3ccc(O)cc3O)cs2)c1 ZINC000048355139 563697502 /nfs/dbraw/zinc/69/75/02/563697502.db2.gz JFCVYOLDMYAKRO-UHFFFAOYSA-N 0 0 314.322 3.797 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccccc1C ZINC000001064607 563788431 /nfs/dbraw/zinc/78/84/31/563788431.db2.gz UFLGSXGSHSVFRJ-CYBMUJFWSA-N 0 0 314.341 3.618 50 5 DHBARN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc2ccccc2c1 ZINC000012772125 563828106 /nfs/dbraw/zinc/82/81/06/563828106.db2.gz UXWURDQXAXVOJK-LLVKDONJSA-N 0 0 309.325 3.567 50 5 DHBARN O=[N+]([O-])c1cccc(OCc2coc(-c3cccc(F)c3)n2)c1 ZINC000026015126 563838109 /nfs/dbraw/zinc/83/81/09/563838109.db2.gz SJTJFPIJGRXCRU-UHFFFAOYSA-N 0 0 314.272 3.968 50 5 DHBARN C[C@H](O)c1ccc(CNc2ccc([N+](=O)[O-])c3cnccc23)cc1 ZINC000053601882 563863971 /nfs/dbraw/zinc/86/39/71/563863971.db2.gz IIUFRXFBISBRJT-LBPRGKRZSA-N 0 0 323.352 3.808 50 5 DHBARN O=[N+]([O-])c1ccc(N2CCC(F)(F)CC2)c(Br)c1 ZINC000169725379 563895766 /nfs/dbraw/zinc/89/57/66/563895766.db2.gz IQPHNXRTHZBYEU-UHFFFAOYSA-N 0 0 321.121 3.593 50 5 DHBARN O=[N+]([O-])c1ccc(Br)cc1N1CCC(F)(F)CC1 ZINC000169725420 563895960 /nfs/dbraw/zinc/89/59/60/563895960.db2.gz GXEQXXGABKFYPD-UHFFFAOYSA-N 0 0 321.121 3.593 50 5 DHBARN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000007078056 563902687 /nfs/dbraw/zinc/90/26/87/563902687.db2.gz HNXUBRYOLXNKLF-CQSZACIVSA-N 0 0 304.371 3.783 50 5 DHBARN CCOC(=O)CCn1c2ccccc2c2nc3ccccc3nc21 ZINC000000151743 563912806 /nfs/dbraw/zinc/91/28/06/563912806.db2.gz QAUCPPHZRCIAES-UHFFFAOYSA-N 0 0 319.364 3.691 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)Sc1ccc(O)cc1 ZINC000002156351 563916046 /nfs/dbraw/zinc/91/60/46/563916046.db2.gz LOTXAIVDRQIKOK-UHFFFAOYSA-N 0 0 304.327 3.933 50 5 DHBARN CCCCc1nc2sc3c(ncn4cnnc34)c2c2c1CCC2 ZINC000002215490 563919222 /nfs/dbraw/zinc/91/92/22/563919222.db2.gz VXJQDMXIQBANPR-UHFFFAOYSA-N 0 0 323.425 3.719 50 5 DHBARN Cc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC000037868945 563929121 /nfs/dbraw/zinc/92/91/21/563929121.db2.gz JZYDPJWJNMJIIO-UHFFFAOYSA-N 0 0 313.338 3.765 50 5 DHBARN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(F)cc1)C1CC1 ZINC000012924624 563929165 /nfs/dbraw/zinc/92/91/65/563929165.db2.gz IHTMQJRAANPGBN-UHFFFAOYSA-N 0 0 314.316 3.539 50 5 DHBARN C[C@H]1CCc2nc(CNc3cccc([N+](=O)[O-])c3)sc2C1 ZINC000095983155 563933830 /nfs/dbraw/zinc/93/38/30/563933830.db2.gz ARLYBIIAERYYCM-JTQLQIEISA-N 0 0 303.387 3.788 50 5 DHBARN COc1ccc([C@H](C[N+](=O)[O-])c2c(C)cc3ccccn32)cc1 ZINC000003206091 563942824 /nfs/dbraw/zinc/94/28/24/563942824.db2.gz DYEDZAFSBOYINM-KRWDZBQOSA-N 0 0 310.353 3.665 50 5 DHBARN Cc1cc2ccccn2c1[C@H](C[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000003207290 563942843 /nfs/dbraw/zinc/94/28/43/563942843.db2.gz APASNXBLYGIDKZ-GOSISDBHSA-N 0 0 323.396 3.722 50 5 DHBARN Cc1cc(N2CCC[C@H](C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000058356982 563944260 /nfs/dbraw/zinc/94/42/60/563944260.db2.gz TVCWIQPBYUWYRR-LBPRGKRZSA-N 0 0 312.373 3.597 50 5 DHBARN Cc1cc(N2CCC[C@@H](C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000058356983 563944264 /nfs/dbraw/zinc/94/42/64/563944264.db2.gz TVCWIQPBYUWYRR-GFCCVEGCSA-N 0 0 312.373 3.597 50 5 DHBARN C[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000008054136 563946394 /nfs/dbraw/zinc/94/63/94/563946394.db2.gz DFGXMBMSUNWKIW-SECBINFHSA-N 0 0 319.748 3.520 50 5 DHBARN CC(=O)c1ccc(-n2cnc3cc(C)c(C)cc32)c([N+](=O)[O-])c1 ZINC000008051960 563946495 /nfs/dbraw/zinc/94/64/95/563946495.db2.gz DZSLGHOXDOAIOU-UHFFFAOYSA-N 0 0 309.325 3.753 50 5 DHBARN CCOc1ccc2oc(=O)c(-c3ccc([N+](=O)[O-])cc3)cc2c1 ZINC000008390729 563948258 /nfs/dbraw/zinc/94/82/58/563948258.db2.gz KBEWNCQXIYFIBF-UHFFFAOYSA-N 0 0 311.293 3.767 50 5 DHBARN O=C(CCc1c[nH]c2ccccc12)OCc1ccc([N+](=O)[O-])cc1 ZINC000008650119 563949613 /nfs/dbraw/zinc/94/96/13/563949613.db2.gz BXNSGLJIMLSTSE-UHFFFAOYSA-N 0 0 324.336 3.752 50 5 DHBARN O=C(Nc1noc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009667565 563957387 /nfs/dbraw/zinc/95/73/87/563957387.db2.gz HFYYLVCHABMOLJ-UHFFFAOYSA-N 0 0 317.688 3.642 50 5 DHBARN O=C1O/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3cc21 ZINC000034746214 568417146 /nfs/dbraw/zinc/41/71/46/568417146.db2.gz YZNPETPNYRSTFS-CXUHLZMHSA-N 0 0 318.288 3.812 50 5 DHBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1C(F)(F)F ZINC000012977322 568418494 /nfs/dbraw/zinc/41/84/94/568418494.db2.gz SUEAMLWWLNETAQ-UHFFFAOYSA-N 0 0 314.219 3.767 50 5 DHBARN C[C@@H]1CCC[C@H](C)N1C(=S)Sc1ncccc1[N+](=O)[O-] ZINC000013575419 568420044 /nfs/dbraw/zinc/42/00/44/568420044.db2.gz FGGVYWNAQYEJBV-AOOOYVTPSA-N 0 0 311.432 3.630 50 5 DHBARN Cc1ccc(N2C(=O)CS[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000000179941 1016776784 /nfs/dbraw/zinc/77/67/84/1016776784.db2.gz QMLFQXOVHUKFMP-INIZCTEOSA-N 0 0 314.366 3.682 50 5 DHBARN Cc1cccc(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1C ZINC000000466627 1019924959 /nfs/dbraw/zinc/92/49/59/1019924959.db2.gz TZPDXCWAGFMALI-ZDUSSCGKSA-N 0 0 314.341 3.618 50 5 DHBARN O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000046088196 1023663316 /nfs/dbraw/zinc/66/33/16/1023663316.db2.gz QLNGMVYNVINDCT-MRXNPFEDSA-N 0 0 318.398 3.872 50 5 DHBARN O=[N+]([O-])c1ccc(/C=C\c2ccc(Oc3cnccn3)cc2)nc1 ZINC000221841890 1026100880 /nfs/dbraw/zinc/10/08/80/1026100880.db2.gz HPSVAQVXUCIGPY-RJRFIUFISA-N 0 0 320.308 3.743 50 5 DHBARN O=[N+]([O-])c1cnc(N2CC3C[C@@H]4CC2C[C@H](C3)C4)c(Cl)c1 ZINC000170633270 1036346922 /nfs/dbraw/zinc/34/69/22/1036346922.db2.gz QDSQAGCWJFMSPG-ZYANWLCNSA-N 0 0 307.781 3.658 50 5 DHBARN CC1CCC(N(C)C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000209627521 1037265460 /nfs/dbraw/zinc/26/54/60/1037265460.db2.gz ULSBDBJMASEDFX-GHXNOFRVSA-N 0 0 302.374 3.645 50 5 DHBARN COCc1ccccc1NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000079101214 185158421 /nfs/dbraw/zinc/15/84/21/185158421.db2.gz UVZDWASIQJFJNW-UHFFFAOYSA-N 0 0 315.329 3.694 50 5 DHBARN CO[C@@H](C)c1nsc(Oc2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC000328589462 231233449 /nfs/dbraw/zinc/23/34/49/231233449.db2.gz IHSMDFZCCJGLCL-LURJTMIESA-N 0 0 315.738 3.599 50 5 DHBARN Cc1cc(C(=O)N[C@@H](C)Cc2ccccc2)cc(C)c1[N+](=O)[O-] ZINC000000329695 190612535 /nfs/dbraw/zinc/61/25/35/190612535.db2.gz ZECHURSRSYIZGX-AWEZNQCLSA-N 0 0 312.369 3.573 50 5 DHBARN COc1ccc2nc(C)n3c4ccccc4c(NC(C)=O)c3c2c1 ZINC000000196717 180722294 /nfs/dbraw/zinc/72/22/94/180722294.db2.gz GZZSCPGKKYNDJX-UHFFFAOYSA-N 0 0 319.364 3.916 50 5 DHBARN O=[N+]([O-])c1ccc(-c2noc(Cc3ccc(Cl)cc3)n2)cc1 ZINC000000441877 180792079 /nfs/dbraw/zinc/79/20/79/180792079.db2.gz XRVBHOUJJMEXMF-UHFFFAOYSA-N 0 0 315.716 3.889 50 5 DHBARN O=C(CSc1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000000460158 180797839 /nfs/dbraw/zinc/79/78/39/180797839.db2.gz TYUPZCPXQOCFEU-UHFFFAOYSA-N 0 0 322.773 3.979 50 5 DHBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc21 ZINC000000447563 180794249 /nfs/dbraw/zinc/79/42/49/180794249.db2.gz LQVYFMYYSSXVGC-UHFFFAOYSA-N 0 0 322.320 3.766 50 5 DHBARN CCOc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000000475976 180803162 /nfs/dbraw/zinc/80/31/62/180803162.db2.gz ZXXKAZYEFUYGPA-UHFFFAOYSA-N 0 0 300.314 3.554 50 5 DHBARN Cc1nc2cc(NC(=O)Nc3cccc([N+](=O)[O-])c3)ccc2o1 ZINC000000470286 180800979 /nfs/dbraw/zinc/80/09/79/180800979.db2.gz CDDOJKHNIVGABH-UHFFFAOYSA-N 0 0 312.285 3.688 50 5 DHBARN CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000000858805 180835808 /nfs/dbraw/zinc/83/58/08/180835808.db2.gz ZFYZAGMRFAWDIH-UHFFFAOYSA-N 0 0 320.732 3.899 50 5 DHBARN CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000000858841 180835992 /nfs/dbraw/zinc/83/59/92/180835992.db2.gz WIAJINAFILKRNA-UHFFFAOYSA-N 0 0 314.341 3.863 50 5 DHBARN O=[N+]([O-])c1cc(NC(=S)NC2CCCCC2)ccc1Cl ZINC000003231821 180993884 /nfs/dbraw/zinc/99/38/84/180993884.db2.gz XDOFNSRSQUAFMD-UHFFFAOYSA-N 0 0 313.810 3.867 50 5 DHBARN COc1ccccc1NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000003553764 181033489 /nfs/dbraw/zinc/03/34/89/181033489.db2.gz PECAVIAGGDRNJR-UHFFFAOYSA-N 0 0 318.354 3.578 50 5 DHBARN O=[N+]([O-])c1ccc(NCCOc2ccccc2)c2ncccc12 ZINC000003877909 181051408 /nfs/dbraw/zinc/05/14/08/181051408.db2.gz JWZHVRKNTNZDGN-UHFFFAOYSA-N 0 0 309.325 3.634 50 5 DHBARN O=[N+]([O-])c1c(NCc2ccc(Cl)cc2)nc2sccn21 ZINC000004024234 181063567 /nfs/dbraw/zinc/06/35/67/181063567.db2.gz JODBWSLRWQKYOG-UHFFFAOYSA-N 0 0 308.750 3.570 50 5 DHBARN Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004040201 181065846 /nfs/dbraw/zinc/06/58/46/181065846.db2.gz NRRGEUKXIMGPIE-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc2cccnc21 ZINC000004349501 181100981 /nfs/dbraw/zinc/10/09/81/181100981.db2.gz BMZZQIHFBMEWST-UHFFFAOYSA-N 0 0 308.297 3.787 50 5 DHBARN O=C(CSc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004496570 181115099 /nfs/dbraw/zinc/11/50/99/181115099.db2.gz BMJKIFKVFUGINF-UHFFFAOYSA-N 0 0 322.773 3.979 50 5 DHBARN O=[N+]([O-])c1ccc(Cl)cc1N1CCN(c2ccccc2)CC1 ZINC000004687569 181136961 /nfs/dbraw/zinc/13/69/61/181136961.db2.gz SKXKCWFGYOXVJT-UHFFFAOYSA-N 0 0 317.776 3.575 50 5 DHBARN O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000004745353 181146748 /nfs/dbraw/zinc/14/67/48/181146748.db2.gz FGQRWRWPGFWVQZ-UHFFFAOYSA-N 0 0 321.130 3.610 50 5 DHBARN CC(C)c1ccc(OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000004819746 181156685 /nfs/dbraw/zinc/15/66/85/181156685.db2.gz VAIVYCRWJNJQSB-UHFFFAOYSA-N 0 0 314.341 3.736 50 5 DHBARN O=[N+]([O-])c1cccc(-c2ccc(SCc3ccncc3)nn2)c1 ZINC000005381031 181237267 /nfs/dbraw/zinc/23/72/67/181237267.db2.gz XGRBGGMKPNAMOE-UHFFFAOYSA-N 0 0 324.365 3.739 50 5 DHBARN CCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000005465498 181246781 /nfs/dbraw/zinc/24/67/81/181246781.db2.gz LIQBHQPWNBJPCD-UHFFFAOYSA-N 0 0 300.314 3.554 50 5 DHBARN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000005465512 181247070 /nfs/dbraw/zinc/24/70/70/181247070.db2.gz PVEGSZRHAFIKST-UHFFFAOYSA-N 0 0 320.732 3.899 50 5 DHBARN CSc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000005560265 181257314 /nfs/dbraw/zinc/25/73/14/181257314.db2.gz FJAWSWHPNMZZJC-UHFFFAOYSA-N 0 0 302.355 3.877 50 5 DHBARN O=C1CC(/C=C/c2ccc([N+](=O)[O-])cc2)=Nc2ccccc2N1 ZINC000005578076 181259965 /nfs/dbraw/zinc/25/99/65/181259965.db2.gz GZXQEQLCBJGPFG-VMPITWQZSA-N 0 0 307.309 3.723 50 5 DHBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(F)(F)F ZINC000005679341 181271585 /nfs/dbraw/zinc/27/15/85/181271585.db2.gz MZFCSMDLHLGIDM-UHFFFAOYSA-N 0 0 324.258 3.795 50 5 DHBARN Cc1ccc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005753015 181281200 /nfs/dbraw/zinc/28/12/00/181281200.db2.gz WJOTTZDGWDOSSO-UHFFFAOYSA-N 0 0 302.355 3.634 50 5 DHBARN COc1ccc(CCNc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000005865279 181290940 /nfs/dbraw/zinc/29/09/40/181290940.db2.gz BBEZCULYUGNUSJ-UHFFFAOYSA-N 0 0 306.749 3.911 50 5 DHBARN C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)c1c[nH]c2ccccc12 ZINC000005869574 181291770 /nfs/dbraw/zinc/29/17/70/181291770.db2.gz FUJLCUHYASALFS-LLVKDONJSA-N 0 0 310.309 3.726 50 5 DHBARN CCS[C@H](C)c1noc(COc2cccc(C)c2[N+](=O)[O-])n1 ZINC000089274837 192756824 /nfs/dbraw/zinc/75/68/24/192756824.db2.gz YBZUKNJHQZGCNM-SNVBAGLBSA-N 0 0 323.374 3.679 50 5 DHBARN O=[N+]([O-])c1ccc(N2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000006346362 181333049 /nfs/dbraw/zinc/33/30/49/181333049.db2.gz JHWKYYVYQSEDMI-UHFFFAOYSA-N 0 0 317.776 3.575 50 5 DHBARN O=C(c1sc2cc([N+](=O)[O-])ccc2c1Cl)N1CCCC1 ZINC000006473384 181343488 /nfs/dbraw/zinc/34/34/88/181343488.db2.gz VEWUXLGAIXYZPN-UHFFFAOYSA-N 0 0 310.762 3.699 50 5 DHBARN O=C(Nc1cccc(C(F)F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000195421319 201388055 /nfs/dbraw/zinc/38/80/55/201388055.db2.gz ZVFKCWICPCLNKQ-UHFFFAOYSA-N 0 0 310.231 3.924 50 5 DHBARN O=[N+]([O-])c1ccc(Sc2cc(C(F)(F)F)ncn2)cc1 ZINC000261494775 203074328 /nfs/dbraw/zinc/07/43/28/203074328.db2.gz FVSCDXBZTODOID-UHFFFAOYSA-N 0 0 301.249 3.555 50 5 DHBARN Cc1nc2ccccc2n1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000013207746 181837771 /nfs/dbraw/zinc/83/77/71/181837771.db2.gz HNMIKRRMNPJONC-UHFFFAOYSA-N 0 0 315.716 3.595 50 5 DHBARN O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(F)c(F)c2)c1 ZINC000017031895 182069905 /nfs/dbraw/zinc/06/99/05/182069905.db2.gz ZTSDDRZWYJJLCZ-UHFFFAOYSA-N 0 0 309.297 3.682 50 5 DHBARN C[C@H]1C[C@H](C)CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000017032384 182069933 /nfs/dbraw/zinc/06/99/33/182069933.db2.gz RTEBSOYOPFEXJX-UWVGGRQHSA-N 0 0 311.769 3.758 50 5 DHBARN CCc1ccc(CN(C)C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000023053974 182346444 /nfs/dbraw/zinc/34/64/44/182346444.db2.gz YUDYXKKIUWNIJA-UHFFFAOYSA-N 0 0 312.369 3.738 50 5 DHBARN Cc1ccc(C(=O)N(C)[C@@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000024234852 182377288 /nfs/dbraw/zinc/37/72/88/182377288.db2.gz IPLSWBNKMWMPCO-NSHDSACASA-N 0 0 304.371 3.798 50 5 DHBARN O=C(Nc1nc(-c2cccs2)cs1)c1ccc([N+](=O)[O-])o1 ZINC000032981836 182685717 /nfs/dbraw/zinc/68/57/17/182685717.db2.gz BJNCOXWOISEZNX-UHFFFAOYSA-N 0 0 321.339 3.625 50 5 DHBARN O=[N+]([O-])c1ccc(Nc2cccc(OCc3ccccn3)c2)nc1 ZINC000032923547 182681200 /nfs/dbraw/zinc/68/12/00/182681200.db2.gz ZNWJBALGGUPVGQ-UHFFFAOYSA-N 0 0 322.324 3.707 50 5 DHBARN O=C(c1ccccc1)N1CCC(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000039931217 183022891 /nfs/dbraw/zinc/02/28/91/183022891.db2.gz JXGWQAJHERXXHX-UHFFFAOYSA-N 0 0 324.380 3.690 50 5 DHBARN CCSc1nnc(Sc2ccc([N+](=O)[O-])cc2F)s1 ZINC000040091194 183033668 /nfs/dbraw/zinc/03/36/68/183033668.db2.gz RBGNOJGAOWWSCC-UHFFFAOYSA-N 0 0 317.392 3.849 50 5 DHBARN Nc1nc(Nc2ccc(Oc3ccccc3)cc2)ncc1[N+](=O)[O-] ZINC000056908500 184021381 /nfs/dbraw/zinc/02/13/81/184021381.db2.gz CRKUYKQVDFLUJH-UHFFFAOYSA-N 0 0 323.312 3.503 50 5 DHBARN Cc1ccc([N+](=O)[O-])c(OCc2ccn(-c3ccccc3)n2)c1 ZINC000060278815 184145699 /nfs/dbraw/zinc/14/56/99/184145699.db2.gz NYBQNEQCRONRFP-UHFFFAOYSA-N 0 0 309.325 3.668 50 5 DHBARN C[C@@H](C(=O)Nc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000000472047 563624962 /nfs/dbraw/zinc/62/49/62/563624962.db2.gz LWVFIFVLSBRVKD-SNVBAGLBSA-N 0 0 304.733 3.990 50 5 DHBARN CC(C)OC(=O)Cn1c2ccccc2c2nc3ccccc3nc21 ZINC000002706842 563338600 /nfs/dbraw/zinc/33/86/00/563338600.db2.gz BKGHLUBSYZITHO-UHFFFAOYSA-N 0 0 319.364 3.689 50 5 DHBARN COc1ccccc1[C@H](C)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000032825412 563399524 /nfs/dbraw/zinc/39/95/24/563399524.db2.gz CPMJQNUUVIUNRJ-ZDUSSCGKSA-N 0 0 300.358 3.796 50 5 DHBARN O=[N+]([O-])c1c(N2CCC[C@@H]2c2ccccc2)nc2ccccn21 ZINC000032888391 563408398 /nfs/dbraw/zinc/40/83/98/563408398.db2.gz HCQLHHWMJIHQIG-CQSZACIVSA-N 0 0 308.341 3.584 50 5 DHBARN O=C(Nc1ccc(Cl)c2ncccc12)c1ccc([N+](=O)[O-])o1 ZINC000032909740 563411023 /nfs/dbraw/zinc/41/10/23/563411023.db2.gz LNYRXAIIGVHSSF-UHFFFAOYSA-N 0 0 317.688 3.642 50 5 DHBARN Cn1c(-c2ccc([N+](=O)[O-])cc2)csc1=Nc1ccccc1 ZINC000254295333 563480292 /nfs/dbraw/zinc/48/02/92/563480292.db2.gz NIYGIRXWELPUAN-UHFFFAOYSA-N 0 0 311.366 3.894 50 5 DHBARN CC(=O)Nc1ccc(Cl)cc1NCc1cccc([N+](=O)[O-])c1 ZINC000096427472 563481483 /nfs/dbraw/zinc/48/14/83/563481483.db2.gz MNWLCKDHQMJHPI-UHFFFAOYSA-N 0 0 319.748 3.819 50 5 DHBARN Cc1cccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1O ZINC000096461754 563483877 /nfs/dbraw/zinc/48/38/77/563483877.db2.gz ZDPXFFUUGBHTMZ-UHFFFAOYSA-N 0 0 306.705 3.515 50 5 DHBARN Cc1c([C@H](C)NCc2nccn2CC(C)C)cccc1[N+](=O)[O-] ZINC000096478390 563484600 /nfs/dbraw/zinc/48/46/00/563484600.db2.gz KQLDGHHKKPFQQL-AWEZNQCLSA-N 0 0 316.405 3.607 50 5 DHBARN O=[N+]([O-])c1ccccc1-c1nnc(-c2ccc(Cl)cc2)o1 ZINC000000092296 563527728 /nfs/dbraw/zinc/52/77/28/563527728.db2.gz VEPCHAOPRYVYNH-UHFFFAOYSA-N 0 0 301.689 3.965 50 5 DHBARN O=C(O[C@H]1C=C[C@@H]2CC[C@H]3CC[C@H]1[C@H]23)c1ccc([N+](=O)[O-])cc1 ZINC000071785734 563558138 /nfs/dbraw/zinc/55/81/38/563558138.db2.gz JRZRZDAXZSLBIC-RTLLQYERSA-N 0 0 313.353 3.742 50 5 DHBARN CCCCN(CCCC)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003148134 563567677 /nfs/dbraw/zinc/56/76/77/563567677.db2.gz GQFMWBPVMLWCNA-UHFFFAOYSA-N 0 0 323.349 3.545 50 5 DHBARN CC1=N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(C)=C1Br ZINC000012357663 563567611 /nfs/dbraw/zinc/56/76/11/563567611.db2.gz QHZFXKDNBZDPDL-LBPRGKRZSA-N 0 0 309.163 3.649 50 5 DHBARN CC(C)c1ccccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000133500 563572085 /nfs/dbraw/zinc/57/20/85/563572085.db2.gz YGYXLTUBYHYHGK-UHFFFAOYSA-N 0 0 314.341 3.736 50 5 DHBARN O=C(NCC1(c2ccccc2)CCCC1)c1ccccc1[N+](=O)[O-] ZINC000000168967 563574059 /nfs/dbraw/zinc/57/40/59/563574059.db2.gz DIXLBLOGNGTLGK-UHFFFAOYSA-N 0 0 324.380 3.837 50 5 DHBARN O=C(Nc1ccncc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000000235232 563579775 /nfs/dbraw/zinc/57/97/75/563579775.db2.gz ROXFLNPXDCKXSD-UHFFFAOYSA-N 0 0 309.281 3.502 50 5 DHBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000000239826 563580533 /nfs/dbraw/zinc/58/05/33/563580533.db2.gz JLCXWYPZAHWPAJ-AAEUAGOBSA-N 0 0 322.792 3.901 50 5 DHBARN COc1cccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000000244454 563581160 /nfs/dbraw/zinc/58/11/60/563581160.db2.gz VLBLGBNVXOKLSS-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN COc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000000284784 563584664 /nfs/dbraw/zinc/58/46/64/563584664.db2.gz ARGQVELONHQJGZ-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000000291678 563584740 /nfs/dbraw/zinc/58/47/40/563584740.db2.gz ORBMGIKZJQYBLC-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000000288699 563584796 /nfs/dbraw/zinc/58/47/96/563584796.db2.gz NBBCRDKZQJMSCV-JTQLQIEISA-N 0 0 304.733 3.739 50 5 DHBARN O=C(Oc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000000287715 563585412 /nfs/dbraw/zinc/58/54/12/563585412.db2.gz XJQDEHRKNWESPO-UHFFFAOYSA-N 0 0 322.114 3.577 50 5 DHBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)cc1 ZINC000000338854 563588831 /nfs/dbraw/zinc/58/88/31/563588831.db2.gz ZJQDYRDVDWOKQF-XCVCLJGOSA-N 0 0 303.701 3.867 50 5 DHBARN COc1ccc(Cl)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000000370185 563590758 /nfs/dbraw/zinc/59/07/58/563590758.db2.gz ZFVHCRROPJQGLK-UHFFFAOYSA-N 0 0 324.695 3.648 50 5 DHBARN Cc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000000370140 563591424 /nfs/dbraw/zinc/59/14/24/563591424.db2.gz ALEQVPXYNQUBIY-UHFFFAOYSA-N 0 0 304.733 3.738 50 5 DHBARN O=C(c1ccccc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004904753 563593113 /nfs/dbraw/zinc/59/31/13/563593113.db2.gz ZMTXSKUYSYBJSE-UHFFFAOYSA-N 0 0 310.353 3.816 50 5 DHBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CCC2 ZINC000033789007 563596685 /nfs/dbraw/zinc/59/66/85/563596685.db2.gz LZMBRHKUIGAMKE-WDZFZDKYSA-N 0 0 308.337 3.735 50 5 DHBARN C[C@@H]1CC[C@@H]2CCCC[C@H]2N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000248335180 563603559 /nfs/dbraw/zinc/60/35/59/563603559.db2.gz MOMLIPCTFFGVNI-DVOMOZLQSA-N 0 0 302.374 3.778 50 5 DHBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(Cl)c1 ZINC000000438113 563614086 /nfs/dbraw/zinc/61/40/86/563614086.db2.gz FRCCULLTQVUSMR-UHFFFAOYSA-N 0 0 308.696 3.569 50 5 DHBARN CC(C)NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000000472308 563624299 /nfs/dbraw/zinc/62/42/99/563624299.db2.gz XPKRBRZQFSLXTN-UHFFFAOYSA-N 0 0 308.721 3.646 50 5 DHBARN C[C@H](Nc1nccc(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC000044976879 563687622 /nfs/dbraw/zinc/68/76/22/563687622.db2.gz VERODZVCLWUBMP-QMMMGPOBSA-N 0 0 312.251 3.577 50 5 DHBARN Cc1c(NC(=O)Nc2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000000611892 563698652 /nfs/dbraw/zinc/69/86/52/563698652.db2.gz ZRFQPIJXYGKLSW-UHFFFAOYSA-N 0 0 307.256 3.825 50 5 DHBARN Cc1ccc(C(=O)OCc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000000616030 563698782 /nfs/dbraw/zinc/69/87/82/563698782.db2.gz PRVAXERIPQCYSV-UHFFFAOYSA-N 0 0 305.717 3.914 50 5 DHBARN Cc1nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2s1 ZINC000000618896 563698945 /nfs/dbraw/zinc/69/89/45/563698945.db2.gz PBEQYYYZRZFWIS-UHFFFAOYSA-N 0 0 313.338 3.765 50 5 DHBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1O ZINC000000621201 563703187 /nfs/dbraw/zinc/70/31/87/563703187.db2.gz HMRBMBINXVKJFE-UHFFFAOYSA-N 0 0 323.304 3.811 50 5 DHBARN Cc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000000860196 563772938 /nfs/dbraw/zinc/77/29/38/563772938.db2.gz JUURSVLUIGZMCZ-AWEZNQCLSA-N 0 0 312.369 3.654 50 5 DHBARN COc1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000025309834 563787333 /nfs/dbraw/zinc/78/73/33/563787333.db2.gz CNNYLDKWTYMJSY-UHFFFAOYSA-N 0 0 324.695 3.648 50 5 DHBARN O=[N+]([O-])c1cccc(OCc2nc3ccccc3n2C(F)F)c1 ZINC000031676918 563796217 /nfs/dbraw/zinc/79/62/17/563796217.db2.gz NLHQGWCAXJOZBM-UHFFFAOYSA-N 0 0 319.267 3.919 50 5 DHBARN Nc1c(-c2ccc(Cl)cc2)cnn1-c1cccc([N+](=O)[O-])c1 ZINC000002508431 563810208 /nfs/dbraw/zinc/81/02/08/563810208.db2.gz ZVIXDBLFHTVXBC-UHFFFAOYSA-N 0 0 314.732 3.683 50 5 DHBARN COC(=O)c1ccc(Oc2ccc(C)cc2C)c([N+](=O)[O-])c1 ZINC000001403575 563818511 /nfs/dbraw/zinc/81/85/11/563818511.db2.gz UYYUUMQLWJRBEO-UHFFFAOYSA-N 0 0 301.298 3.791 50 5 DHBARN CN(Cc1ccsc1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000035123721 563838768 /nfs/dbraw/zinc/83/87/68/563838768.db2.gz ZEPFSWMAHRCREK-UHFFFAOYSA-N 0 0 310.762 3.582 50 5 DHBARN Cc1sc(C(=O)Nc2ccc3c(c2)CCC3)cc1[N+](=O)[O-] ZINC000074350615 563845645 /nfs/dbraw/zinc/84/56/45/563845645.db2.gz AEOLXMDNWDCUSR-UHFFFAOYSA-N 0 0 302.355 3.706 50 5 DHBARN O=[N+]([O-])c1cccc([N+](=O)[O-])c1Sc1nc2ccccc2[nH]1 ZINC000075279016 563862630 /nfs/dbraw/zinc/86/26/30/563862630.db2.gz JOQZAICJKBNEGR-UHFFFAOYSA-N 0 0 316.298 3.531 50 5 DHBARN CC1(C)C[C@]2(O[C@H]2c2cccc([N+](=O)[O-])c2)C(=O)c2ccccc21 ZINC000001744783 563874602 /nfs/dbraw/zinc/87/46/02/563874602.db2.gz IDDOVPNRRHNRRQ-HKUYNNGSSA-N 0 0 323.348 3.969 50 5 DHBARN COc1ccc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000007276144 563905145 /nfs/dbraw/zinc/90/51/45/563905145.db2.gz SCYIRZRQJCSNOD-UHFFFAOYSA-N 0 0 313.235 3.761 50 5 DHBARN CCOc1ccc(C(C)=O)cc1COc1cccc([N+](=O)[O-])c1 ZINC000007654754 563917757 /nfs/dbraw/zinc/91/77/57/563917757.db2.gz OXEXKMJEAZEXCS-UHFFFAOYSA-N 0 0 315.325 3.775 50 5 DHBARN C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000009226664 563927709 /nfs/dbraw/zinc/92/77/09/563927709.db2.gz DVGRTJYBVPPYIC-JTQLQIEISA-N 0 0 320.732 3.654 50 5 DHBARN O=[N+]([O-])c1cc(Br)ccc1OCCC(F)(F)F ZINC000116550503 563928360 /nfs/dbraw/zinc/92/83/60/563928360.db2.gz WEGHVURORXPBSC-UHFFFAOYSA-N 0 0 314.057 3.689 50 5 DHBARN O=C(Nc1cccc(F)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000013135491 563929238 /nfs/dbraw/zinc/92/92/38/563929238.db2.gz GLBUROGMWHYBMX-UHFFFAOYSA-N 0 0 315.304 3.561 50 5 DHBARN CSc1ccc(C(=O)NCc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000013137386 563929365 /nfs/dbraw/zinc/92/93/65/563929365.db2.gz HLLFAYNQRJTZPY-UHFFFAOYSA-N 0 0 316.382 3.555 50 5 DHBARN C[C@@H](CCC(=O)c1cccc([N+](=O)[O-])c1)C1OCC(C)(C)CO1 ZINC000095932578 563932027 /nfs/dbraw/zinc/93/20/27/563932027.db2.gz CKDNIDWJPZOBQE-LBPRGKRZSA-N 0 0 321.373 3.593 50 5 DHBARN Cc1n[nH]c(C)c1CCCCCOc1ccccc1[N+](=O)[O-] ZINC000002502347 563938275 /nfs/dbraw/zinc/93/82/75/563938275.db2.gz PIOYQABBKWSYAA-UHFFFAOYSA-N 0 0 303.362 3.727 50 5 DHBARN O=[N+]([O-])c1cc(Cl)c(I)c(Cl)c1 ZINC000002522759 563938380 /nfs/dbraw/zinc/93/83/80/563938380.db2.gz FCDBEIIBODDDEJ-UHFFFAOYSA-N 0 0 317.897 3.506 50 5 DHBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000002801985 563940940 /nfs/dbraw/zinc/94/09/40/563940940.db2.gz OPNCEGSGOXTCMD-UHFFFAOYSA-N 0 0 321.130 3.610 50 5 DHBARN CCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000002972853 563941402 /nfs/dbraw/zinc/94/14/02/563941402.db2.gz SOMGKHFOKRSYKI-UHFFFAOYSA-N 0 0 318.304 3.775 50 5 DHBARN Cc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000008491341 563948860 /nfs/dbraw/zinc/94/88/60/563948860.db2.gz QONIHPFQPCIMCE-LLVKDONJSA-N 0 0 302.305 3.533 50 5 DHBARN CCc1noc(-c2ccc(N3CCCC[C@H]3C)c([N+](=O)[O-])c2)n1 ZINC000008587117 563949112 /nfs/dbraw/zinc/94/91/12/563949112.db2.gz OIVUNRINSQHLOD-LLVKDONJSA-N 0 0 316.361 3.586 50 5 DHBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1ccc(F)cc1 ZINC000009690398 563957251 /nfs/dbraw/zinc/95/72/51/563957251.db2.gz OETLCXBYQULPSM-LLVKDONJSA-N 0 0 317.320 3.959 50 5 DHBARN CCCOc1ccccc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000010213868 563958393 /nfs/dbraw/zinc/95/83/93/563958393.db2.gz UBWCYMLLJNGPNY-UHFFFAOYSA-N 0 0 314.341 3.944 50 5 DHBARN C[C@@H]1CCCCN1C(=S)Sc1ccc([N+](=O)[O-])cc1C=O ZINC000013574281 568420037 /nfs/dbraw/zinc/42/00/37/568420037.db2.gz IAFKAVXZCGSOMZ-SNVBAGLBSA-N 0 0 324.427 3.659 50 5 DHBARN CCc1ccc(NC(=O)c2cccc3ncccc32)cc1[N+](=O)[O-] ZINC000027311430 568420967 /nfs/dbraw/zinc/42/09/67/568420967.db2.gz LWXSQFQIUCEVOU-UHFFFAOYSA-N 0 0 321.336 3.958 50 5 DHBARN COc1ccc2c(c1)C=Cc1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])O2 ZINC000002186343 568420998 /nfs/dbraw/zinc/42/09/98/568420998.db2.gz RASRTBLDUZCBAH-UHFFFAOYSA-N 0 0 314.253 3.788 50 5 DHBARN Cc1ccccc1/C=C1\N=C(c2ccc(C)c([N+](=O)[O-])c2)OC1=O ZINC000000060091 1015348699 /nfs/dbraw/zinc/34/86/99/1015348699.db2.gz JOQKLYDKSCYDDR-DHDCSXOGSA-N 0 0 322.320 3.556 50 5 DHBARN Cc1ccc(CSCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000000469199 1019920213 /nfs/dbraw/zinc/92/02/13/1019920213.db2.gz VPZZNUXIFOMHOW-UHFFFAOYSA-N 0 0 316.382 3.775 50 5 DHBARN CC[C@](C)(CCCNc1ccccc1[N+](=O)[O-])C1OCCO1 ZINC000072307583 1023120544 /nfs/dbraw/zinc/12/05/44/1023120544.db2.gz QYAOFNWGNLVQPY-MRXNPFEDSA-N 0 0 308.378 3.576 50 5 DHBARN O=C(Nc1nc2cc([N+](=O)[O-])ccc2s1)c1ccc(F)cc1 ZINC000012230282 1023760133 /nfs/dbraw/zinc/76/01/33/1023760133.db2.gz WHXRCNMNHHFJKB-UHFFFAOYSA-N 0 0 317.301 3.596 50 5 DHBARN Cc1ccc(/C=C/C(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000008938287 1028290591 /nfs/dbraw/zinc/29/05/91/1028290591.db2.gz GIWNAZXIWXAMMR-WTNCMQEWSA-N 0 0 314.341 3.729 50 5 DHBARN O=C(Cc1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000000303120 180752930 /nfs/dbraw/zinc/75/29/30/180752930.db2.gz MEUBFGHIJOAHMV-UHFFFAOYSA-N 0 0 308.696 3.569 50 5 DHBARN Cn1cnc([N+](=O)[O-])c1Sc1ccc(Cl)c(Cl)c1 ZINC000000480492 180804048 /nfs/dbraw/zinc/80/40/48/180804048.db2.gz LIUQXKPNDYGGLQ-UHFFFAOYSA-N 0 0 304.158 3.786 50 5 DHBARN O=[N+]([O-])c1cc(F)ccc1CCc1ccc(F)cc1[N+](=O)[O-] ZINC000001609481 180878321 /nfs/dbraw/zinc/87/83/21/180878321.db2.gz NRDWMCMPPQKQMY-UHFFFAOYSA-N 0 0 308.240 3.566 50 5 DHBARN CC(C)CCC[C@@H](C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000002989907 180974605 /nfs/dbraw/zinc/97/46/05/180974605.db2.gz HPWWYKDCDRVFNW-PLSXKVAHSA-N 0 0 304.390 3.939 50 5 DHBARN Cc1c(NC(=O)c2ccc3ncsc3c2)cccc1[N+](=O)[O-] ZINC000003425362 181018183 /nfs/dbraw/zinc/01/81/83/181018183.db2.gz WRRRSTUIEXLZPH-UHFFFAOYSA-N 0 0 313.338 3.765 50 5 DHBARN Cc1c(NC(=O)CSc2ccccc2)cccc1[N+](=O)[O-] ZINC000003604009 181039526 /nfs/dbraw/zinc/03/95/26/181039526.db2.gz MDQBQQHLMMZTFM-UHFFFAOYSA-N 0 0 302.355 3.634 50 5 DHBARN CCOc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000003879215 181051411 /nfs/dbraw/zinc/05/14/11/181051411.db2.gz WNMCDSUFVJWXLF-UHFFFAOYSA-N 0 0 303.274 3.645 50 5 DHBARN O=[N+]([O-])c1c2nonc2ccc1Nc1ccccc1C(F)(F)F ZINC000003909318 181057212 /nfs/dbraw/zinc/05/72/12/181057212.db2.gz ARWRRLDPOVCVCN-UHFFFAOYSA-N 0 0 324.218 3.893 50 5 DHBARN CCOc1ccc(NC(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000004031842 181065078 /nfs/dbraw/zinc/06/50/78/181065078.db2.gz BBRADWUSHYFRFP-UHFFFAOYSA-N 0 0 300.314 3.554 50 5 DHBARN Cc1ccc(OCCCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000004041772 181066114 /nfs/dbraw/zinc/06/61/14/181066114.db2.gz FFALEQMEASTJGQ-UHFFFAOYSA-N 0 0 314.341 3.701 50 5 DHBARN C[C@H]1CCCC[C@H]1Nc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC000004183769 181082222 /nfs/dbraw/zinc/08/22/22/181082222.db2.gz YTZABSJRIVRGPQ-CMPLNLGQSA-N 0 0 302.330 3.692 50 5 DHBARN Cc1ccccc1OCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000004182398 181082337 /nfs/dbraw/zinc/08/23/37/181082337.db2.gz FSDVVTKYDIQLKE-UHFFFAOYSA-N 0 0 323.352 3.942 50 5 DHBARN Cn1c2ccc([N+](=O)[O-])cc2nc1-c1ccc(Br)o1 ZINC000004543041 181122545 /nfs/dbraw/zinc/12/25/45/181122545.db2.gz JUGJAJRUTMHESS-UHFFFAOYSA-N 0 0 322.118 3.504 50 5 DHBARN COc1cc2sc3c(c2cc1OC)c1ccccc1[nH]c3=O ZINC000004631841 181130981 /nfs/dbraw/zinc/13/09/81/181130981.db2.gz GKKZAAKMPHCCTA-UHFFFAOYSA-N 0 0 311.362 3.913 50 5 DHBARN O=[N+]([O-])c1cccc(N[S@@](=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000004653958 181132471 /nfs/dbraw/zinc/13/24/71/181132471.db2.gz NIOORYSMSMLENJ-NPQPELAPSA-N 0 0 320.414 3.639 50 5 DHBARN CCOC(=O)c1ccc(N[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000004708882 181140185 /nfs/dbraw/zinc/14/01/85/181140185.db2.gz BXDCFLSLMLUPRQ-GFCCVEGCSA-N 0 0 314.341 3.945 50 5 DHBARN Cc1cc(OCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1Cl ZINC000004725415 181143082 /nfs/dbraw/zinc/14/30/82/181143082.db2.gz JPTAQEIWJSKWLU-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN CCOc1ccc(NC(=O)c2ccc(CC)s2)c([N+](=O)[O-])c1 ZINC000004750322 181148458 /nfs/dbraw/zinc/14/84/58/181148458.db2.gz DBZSCLHBAUALEG-UHFFFAOYSA-N 0 0 320.370 3.870 50 5 DHBARN Cc1cc(C)c(OCC(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000004801840 181153058 /nfs/dbraw/zinc/15/30/58/181153058.db2.gz AXGOIWABOVKPLH-UHFFFAOYSA-N 0 0 314.341 3.538 50 5 DHBARN Cc1c(C(=O)Nc2cccc(OC(C)C)c2)cccc1[N+](=O)[O-] ZINC000004855087 181163803 /nfs/dbraw/zinc/16/38/03/181163803.db2.gz RTLHCDQENCMQRB-UHFFFAOYSA-N 0 0 314.341 3.943 50 5 DHBARN Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1C ZINC000004918620 181172803 /nfs/dbraw/zinc/17/28/03/181172803.db2.gz UIXSBYBQWJDEIT-CYBMUJFWSA-N 0 0 314.341 3.618 50 5 DHBARN O=C(OC12CC3CC(CC(C3)C1)C2)c1cccc([N+](=O)[O-])c1 ZINC000004953027 181178980 /nfs/dbraw/zinc/17/89/80/181178980.db2.gz BQEUXRIPBZCXAK-UHFFFAOYSA-N 0 0 301.342 3.720 50 5 DHBARN COc1ccc(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)cc1OC ZINC000073639486 191335483 /nfs/dbraw/zinc/33/54/83/191335483.db2.gz XRLPDVDCBNOCTH-UHFFFAOYSA-N 0 0 314.297 3.729 50 5 DHBARN COc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000004964427 181180643 /nfs/dbraw/zinc/18/06/43/181180643.db2.gz XMNAKGRJKXEYBT-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN Cn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\c1ccccc1 ZINC000005123977 181206562 /nfs/dbraw/zinc/20/65/62/181206562.db2.gz NIYGIRXWELPUAN-MSUUIHNZSA-N 0 0 311.366 3.894 50 5 DHBARN C[C@@H](Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC000005529255 181253885 /nfs/dbraw/zinc/25/38/85/181253885.db2.gz SXSXPVZYSFAPQG-GFCCVEGCSA-N 0 0 323.352 3.620 50 5 DHBARN O=[N+]([O-])c1ccc(NC[C@@H]2COc3ccccc3O2)c(Cl)c1 ZINC000006051588 181308427 /nfs/dbraw/zinc/30/84/27/181308427.db2.gz ZXWBJRHMDSIGAI-LLVKDONJSA-N 0 0 320.732 3.500 50 5 DHBARN COCCCn1c(C)c(C)c2c3nc4ccccc4n3c(C)nc21 ZINC000006665659 181367247 /nfs/dbraw/zinc/36/72/47/181367247.db2.gz BPHBADYHUAWAFE-UHFFFAOYSA-N 0 0 322.412 3.799 50 5 DHBARN Cc1cc(C)n(-c2cc(N3CCCC3)c(Cl)cc2[N+](=O)[O-])n1 ZINC000006670278 181368514 /nfs/dbraw/zinc/36/85/14/181368514.db2.gz KFYUGBYMAZXWNJ-UHFFFAOYSA-N 0 0 320.780 3.651 50 5 DHBARN COc1ccc(Cl)cc1COc1ccc(C)nc1[N+](=O)[O-] ZINC000007133746 181442050 /nfs/dbraw/zinc/44/20/50/181442050.db2.gz ZUFQDLWMWWZKRH-UHFFFAOYSA-N 0 0 308.721 3.539 50 5 DHBARN Cc1c(NC(=O)N2CCC[C@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000015837954 182021196 /nfs/dbraw/zinc/02/11/96/182021196.db2.gz HXFQAIJQQNSWFV-AWEZNQCLSA-N 0 0 315.329 3.865 50 5 DHBARN O=C(Nc1ccc(SC(F)F)cc1)c1ccc([N+](=O)[O-])o1 ZINC000016018979 182029115 /nfs/dbraw/zinc/02/91/15/182029115.db2.gz VZIBFXKFJZWBND-UHFFFAOYSA-N 0 0 314.269 3.755 50 5 DHBARN Cc1ccc(F)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000015965286 182026281 /nfs/dbraw/zinc/02/62/81/182026281.db2.gz VXTKOVQYRDEKJT-UHFFFAOYSA-N 0 0 308.696 3.948 50 5 DHBARN O=[N+]([O-])c1ccc(C2N=NC(=S)N2C2CCCCC2)cc1 ZINC000016429740 182044583 /nfs/dbraw/zinc/04/45/83/182044583.db2.gz VTBLXPTUIFQZNP-UHFFFAOYSA-N 0 0 304.375 3.647 50 5 DHBARN Cn1cnnc1SCc1nc2ccccc2c2ccccc12 ZINC000017155576 182077597 /nfs/dbraw/zinc/07/75/97/182077597.db2.gz HERXASHYSJOTCJ-UHFFFAOYSA-N 0 0 306.394 3.809 50 5 DHBARN O=C(NCc1ccc(F)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000017056734 182074246 /nfs/dbraw/zinc/07/42/46/182074246.db2.gz LIGGWNBBFOWARI-UHFFFAOYSA-N 0 0 323.711 3.709 50 5 DHBARN O=[N+]([O-])c1ccc(CN2CCc3c4ccccc4[nH]c3C2)s1 ZINC000019594821 182133346 /nfs/dbraw/zinc/13/33/46/182133346.db2.gz NZAORUHMZKJKOS-UHFFFAOYSA-N 0 0 313.382 3.696 50 5 DHBARN COC(=O)c1cc(-c2cc(OC)ccc2Cl)cc([N+](=O)[O-])c1 ZINC000097757142 193754872 /nfs/dbraw/zinc/75/48/72/193754872.db2.gz MEQUWAGZVXWDOH-UHFFFAOYSA-N 0 0 321.716 3.710 50 5 DHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)SC1CCCC1 ZINC000024985756 182397457 /nfs/dbraw/zinc/39/74/57/182397457.db2.gz MHBXUBAAJJNQMU-SNVBAGLBSA-N 0 0 324.402 3.606 50 5 DHBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1F ZINC000033315910 182703284 /nfs/dbraw/zinc/70/32/84/182703284.db2.gz XKTUIIDQEYOIQG-DAXSKMNVSA-N 0 0 304.252 3.525 50 5 DHBARN CCNc1ccc(C(=O)N(C)C2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000039975986 183026098 /nfs/dbraw/zinc/02/60/98/183026098.db2.gz IPXYSECISDGDOG-UHFFFAOYSA-N 0 0 319.405 3.677 50 5 DHBARN Cc1ccc([C@@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000040095691 183034083 /nfs/dbraw/zinc/03/40/83/183034083.db2.gz AMGKENADPHTJFW-LLVKDONJSA-N 0 0 303.318 3.687 50 5 DHBARN O=[N+]([O-])c1cccc(CSc2nccc(C(F)(F)F)n2)c1 ZINC000041895880 183224287 /nfs/dbraw/zinc/22/42/87/183224287.db2.gz UJMHKVAUZILPHI-UHFFFAOYSA-N 0 0 315.276 3.696 50 5 DHBARN O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccccc1 ZINC000044405304 183408181 /nfs/dbraw/zinc/40/81/81/183408181.db2.gz AIVCPCMUFDFLLB-ZDUSSCGKSA-N 0 0 302.355 3.634 50 5 DHBARN CC[C@H](C)N1COc2ccc3c4ccccc4c(=O)oc3c2C1 ZINC000057142755 184027842 /nfs/dbraw/zinc/02/78/42/184027842.db2.gz VCLKDGKECFHWOA-LBPRGKRZSA-N 0 0 309.365 3.897 50 5 DHBARN CCc1ccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000058055575 184072379 /nfs/dbraw/zinc/07/23/79/184072379.db2.gz WWFGLWFQXDHOFN-UHFFFAOYSA-N 0 0 324.789 3.802 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccc2cc[nH]c2c1 ZINC000408515341 257256309 /nfs/dbraw/zinc/25/63/09/257256309.db2.gz KGVZAQLRTVFQNT-UHFFFAOYSA-N 0 0 309.325 3.661 50 5 DHBARN O=C(Nc1cccc(O)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004771230 257267602 /nfs/dbraw/zinc/26/76/02/257267602.db2.gz JJUPLPWLNINRPU-UHFFFAOYSA-N 0 0 307.693 3.598 50 5 DHBARN O=[N+]([O-])c1c(F)cccc1NC[C@@H](O)c1ccc(Cl)cc1 ZINC000072027363 184923599 /nfs/dbraw/zinc/92/35/99/184923599.db2.gz OJDLYNDVWKMWMO-CYBMUJFWSA-N 0 0 310.712 3.533 50 5 DHBARN CCC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000005894374 134473465 /nfs/dbraw/zinc/47/34/65/134473465.db2.gz WUMVMOWJSRTZLC-UHFFFAOYSA-N 0 0 319.405 3.504 50 5 DHBARN COc1ccccc1/C=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002170550 331469120 /nfs/dbraw/zinc/46/91/20/331469120.db2.gz LMIUFYSCIBRPIA-VOTSOKGWSA-N 0 0 300.270 3.682 50 5 DHBARN CN(CCc1cccs1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000081299879 337712137 /nfs/dbraw/zinc/71/21/37/337712137.db2.gz PSAUQJNPERFJGI-UHFFFAOYSA-N 0 0 324.789 3.624 50 5 DHBARN C[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000239439093 524405288 /nfs/dbraw/zinc/40/52/88/524405288.db2.gz ZKBASTWKARGWAQ-BFVZDQMLSA-N 0 0 310.781 3.803 50 5 DHBARN Cc1ccccc1-n1c(=O)c2ccccc2c2ccccc2c1=O ZINC000000426924 563252771 /nfs/dbraw/zinc/25/27/71/563252771.db2.gz BHGZUJSCDFVGML-UHFFFAOYSA-N 0 0 313.356 3.813 50 5 DHBARN COc1ccc(CNc2cc(F)c(F)cc2F)cc1[N+](=O)[O-] ZINC000002534508 563350761 /nfs/dbraw/zinc/35/07/61/563350761.db2.gz AMSXNCUDFLRBQR-UHFFFAOYSA-N 0 0 312.247 3.633 50 5 DHBARN Cc1cc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])sc1C ZINC000032816870 563398244 /nfs/dbraw/zinc/39/82/44/563398244.db2.gz VODOQLWLNMMJDW-UHFFFAOYSA-N 0 0 304.371 3.545 50 5 DHBARN O=[N+]([O-])c1ccc(Nc2cccc(Cn3cccn3)c2)c(F)c1 ZINC000032923435 563412865 /nfs/dbraw/zinc/41/28/65/563412865.db2.gz NQBDHKOPYYXPDO-UHFFFAOYSA-N 0 0 312.304 3.722 50 5 DHBARN CCn1cc(-c2nnc3c4ccccc4c4ccccc4n23)cn1 ZINC000032593273 563442521 /nfs/dbraw/zinc/44/25/21/563442521.db2.gz RTRYBGONJTXYFR-UHFFFAOYSA-N 0 0 313.364 3.919 50 5 DHBARN Cc1c(C(=O)N[C@H](C)CCc2ccccc2)cccc1[N+](=O)[O-] ZINC000000073801 563520519 /nfs/dbraw/zinc/52/05/19/563520519.db2.gz FXPSYSLKOGMHGF-CYBMUJFWSA-N 0 0 312.369 3.654 50 5 DHBARN O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)N1CCCCC1 ZINC000085210075 563567837 /nfs/dbraw/zinc/56/78/37/563567837.db2.gz UVCXLNDAUQGSNL-UHFFFAOYSA-N 0 0 310.353 3.888 50 5 DHBARN CC1=N[C@H](Cc2ccc([N+](=O)[O-])cc2)C(C)=C1Br ZINC000012357664 563567875 /nfs/dbraw/zinc/56/78/75/563567875.db2.gz QHZFXKDNBZDPDL-GFCCVEGCSA-N 0 0 309.163 3.649 50 5 DHBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000000170960 563574665 /nfs/dbraw/zinc/57/46/65/563574665.db2.gz QSLYZLOTNYOEEC-UHFFFAOYSA-N 0 0 300.245 3.732 50 5 DHBARN CNc1ccccc1-c1nc2cc3ccccc3cc2[nH]c1=O ZINC000000175744 563575191 /nfs/dbraw/zinc/57/51/91/563575191.db2.gz MFKINTGHKZCOMR-UHFFFAOYSA-N 0 0 301.349 3.785 50 5 DHBARN O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(F)cc1 ZINC000000180269 563575624 /nfs/dbraw/zinc/57/56/24/563575624.db2.gz RXWOWSLGPJPAOP-OAHLLOKOSA-N 0 0 318.329 3.513 50 5 DHBARN O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1F ZINC000000180783 563575692 /nfs/dbraw/zinc/57/56/92/563575692.db2.gz NGXKEAWARQLYPT-HNNXBMFYSA-N 0 0 318.329 3.513 50 5 DHBARN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(F)cc1 ZINC000000181090 563576161 /nfs/dbraw/zinc/57/61/61/563576161.db2.gz LNBWADNSCHENST-UHFFFAOYSA-N 0 0 317.301 3.596 50 5 DHBARN O=C(Nc1ccc(Cl)cc1F)c1ccc(F)c([N+](=O)[O-])c1 ZINC000000258369 563583155 /nfs/dbraw/zinc/58/31/55/563583155.db2.gz FUHBSSWVHMQERM-UHFFFAOYSA-N 0 0 312.659 3.779 50 5 DHBARN Cc1cccc(Oc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])c1 ZINC000000268829 563583452 /nfs/dbraw/zinc/58/34/52/563583452.db2.gz NITOTNZPPAEAHZ-UHFFFAOYSA-N 0 0 310.309 3.547 50 5 DHBARN O=C(Nc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000000260692 563583740 /nfs/dbraw/zinc/58/37/40/563583740.db2.gz ANGXMTLCIYYHTQ-UHFFFAOYSA-N 0 0 321.130 3.610 50 5 DHBARN O=C(Nc1nccs1)c1cc2c(ccc3ccccc32)oc1=O ZINC000000273923 563584311 /nfs/dbraw/zinc/58/43/11/563584311.db2.gz MNBYKCRUGAEXCA-UHFFFAOYSA-N 0 0 322.345 3.655 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1[C@@H]2CCC=CCC[C@@H]12 ZINC000000335426 563589026 /nfs/dbraw/zinc/58/90/26/563589026.db2.gz RXQQVOZRUATOPJ-ZIAGYGMSSA-N 0 0 300.358 3.834 50 5 DHBARN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1cccc2ccccc21 ZINC000000357182 563590067 /nfs/dbraw/zinc/59/00/67/563590067.db2.gz WPVORICJSWGOPP-UHFFFAOYSA-N 0 0 318.288 3.549 50 5 DHBARN C[C@@H](CCc1ccccc1)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000033457536 563592516 /nfs/dbraw/zinc/59/25/16/563592516.db2.gz DUKYUTFWQHDVJZ-PLFFATQSSA-N 0 0 324.380 3.746 50 5 DHBARN COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000002485611 563624656 /nfs/dbraw/zinc/62/46/56/563624656.db2.gz GRRPSCBOSVBVOW-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN Cc1c(C(=O)Nc2ccccc2OC(F)F)cccc1[N+](=O)[O-] ZINC000000557773 563670983 /nfs/dbraw/zinc/67/09/83/563670983.db2.gz MJGWGYMZSAZBJP-UHFFFAOYSA-N 0 0 322.267 3.757 50 5 DHBARN O=C(Nc1nccs1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000000616265 563700897 /nfs/dbraw/zinc/70/08/97/563700897.db2.gz QUXHHAVSQLVISY-UHFFFAOYSA-N 0 0 315.310 3.564 50 5 DHBARN Cc1cc(-c2ccccc2)nc(Sc2ccc([N+](=O)[O-])cn2)n1 ZINC000001057748 563788177 /nfs/dbraw/zinc/78/81/77/563788177.db2.gz MKIPBZYIWXBVAY-UHFFFAOYSA-N 0 0 324.365 3.906 50 5 DHBARN O=C(c1ccco1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000063449660 563795566 /nfs/dbraw/zinc/79/55/66/563795566.db2.gz IAUQXAYYDRSVJT-UHFFFAOYSA-N 0 0 320.732 3.898 50 5 DHBARN CC(C)(CNC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000031664425 563796313 /nfs/dbraw/zinc/79/63/13/563796313.db2.gz GYARVUSAAHMHFE-UHFFFAOYSA-N 0 0 313.357 3.694 50 5 DHBARN O=[N+]([O-])c1ccc(N2CCCCC2)cc1NCc1ccco1 ZINC000004104321 563809708 /nfs/dbraw/zinc/80/97/08/563809708.db2.gz AGHBTMRECPMHRT-UHFFFAOYSA-N 0 0 301.346 3.790 50 5 DHBARN O=C(c1ccc([N+](=O)[O-])cc1)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000084581870 563827586 /nfs/dbraw/zinc/82/75/86/563827586.db2.gz JPYGQUZFWLWHBD-SFHVURJKSA-N 0 0 322.364 3.887 50 5 DHBARN Cc1cccc(C)c1OCCn1ncc2ccc([N+](=O)[O-])cc21 ZINC000012897550 563852516 /nfs/dbraw/zinc/85/25/16/563852516.db2.gz JGHCWQUTGWTCQR-UHFFFAOYSA-N 0 0 311.341 3.640 50 5 DHBARN CCC[C@@](C)(CO)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000075092306 563859142 /nfs/dbraw/zinc/85/91/42/563859142.db2.gz VSLAMTXIGILVBP-LBPRGKRZSA-N 0 0 306.284 3.577 50 5 DHBARN COc1cc(OC)c2[nH]c3c(C)c(Cl)ccc3c(=O)c2c1 ZINC000043214680 563877351 /nfs/dbraw/zinc/87/73/51/563877351.db2.gz IQTFEGPDLFMAKX-UHFFFAOYSA-N 0 0 303.745 3.660 50 5 DHBARN O=[N+]([O-])c1c(N[C@@H](c2ccccc2)C2CC2)nc2ccccn21 ZINC000054370719 563891771 /nfs/dbraw/zinc/89/17/71/563891771.db2.gz FWLWITKGPDEKPJ-HNNXBMFYSA-N 0 0 308.341 3.806 50 5 DHBARN CCn1cc(NCc2cc(=O)oc3ccc4ccccc4c23)cn1 ZINC000170079590 563903616 /nfs/dbraw/zinc/90/36/16/563903616.db2.gz OURBUSOMYVXJRV-UHFFFAOYSA-N 0 0 319.364 3.775 50 5 DHBARN Cc1ccc2c(c1)CCCN2C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000014423083 563910646 /nfs/dbraw/zinc/91/06/46/563910646.db2.gz JGWIQPIOLOZHAX-UHFFFAOYSA-N 0 0 310.353 3.805 50 5 DHBARN Cc1sc2ncnc(Oc3ccc(C)nc3[N+](=O)[O-])c2c1C ZINC000007783824 563919362 /nfs/dbraw/zinc/91/93/62/563919362.db2.gz IREAVJVIGNDDJF-UHFFFAOYSA-N 0 0 316.342 3.712 50 5 DHBARN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccncc2)c2ccncc21 ZINC000301911079 563928495 /nfs/dbraw/zinc/92/84/95/563928495.db2.gz GHMXEPVRAXZINW-MRXNPFEDSA-N 0 0 320.352 3.880 50 5 DHBARN CCCCC(=O)Nc1cc(CC)nc2ccc([N+](=O)[O-])cc21 ZINC000095997599 563934717 /nfs/dbraw/zinc/93/47/17/563934717.db2.gz YPAMJYSJRFJBSD-UHFFFAOYSA-N 0 0 301.346 3.834 50 5 DHBARN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1cccs1 ZINC000096409105 563936896 /nfs/dbraw/zinc/93/68/96/563936896.db2.gz WRGIFGRBCQCLFH-UHFFFAOYSA-N 0 0 308.384 3.696 50 5 DHBARN CCCOc1cc([N+](=O)[O-])cc2c1C(=O)Nc1ccccc1O2 ZINC000002545775 563938823 /nfs/dbraw/zinc/93/88/23/563938823.db2.gz IDMAJOJRTRWMBE-UHFFFAOYSA-N 0 0 314.297 3.742 50 5 DHBARN Cc1ccc(C)c2sc(NC(=O)c3ccc([N+](=O)[O-])o3)nc21 ZINC000002723912 563940358 /nfs/dbraw/zinc/94/03/58/563940358.db2.gz SZHCOZUPHPBRAE-UHFFFAOYSA-N 0 0 317.326 3.667 50 5 DHBARN COc1ccc(OCCCCOc2ccccc2[N+](=O)[O-])cc1 ZINC000002906118 563941137 /nfs/dbraw/zinc/94/11/37/563941137.db2.gz OHQLQQWAFMRNIS-UHFFFAOYSA-N 0 0 317.341 3.841 50 5 DHBARN O=C(Nc1ccc(Cl)cc1)c1noc2cc([N+](=O)[O-])ccc21 ZINC000003051222 563941834 /nfs/dbraw/zinc/94/18/34/563941834.db2.gz SQZILFZYOYHIMU-UHFFFAOYSA-N 0 0 317.688 3.642 50 5 DHBARN O=C1OCC(c2ccc(Cl)s2)=C1c1ccccc1[N+](=O)[O-] ZINC000003254315 563943325 /nfs/dbraw/zinc/94/33/25/563943325.db2.gz FWQKSLCZIVBUSF-UHFFFAOYSA-N 0 0 321.741 3.777 50 5 DHBARN Cc1cc(C)nc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000008548825 563949014 /nfs/dbraw/zinc/94/90/14/563949014.db2.gz HJVBWMMCJXDKFF-UHFFFAOYSA-N 0 0 305.721 3.512 50 5 DHBARN CC(C)Nc1ccc(-c2nc(-c3ccco3)no2)cc1[N+](=O)[O-] ZINC000008586874 563949223 /nfs/dbraw/zinc/94/92/23/563949223.db2.gz FLWLEDIRBFGIPG-UHFFFAOYSA-N 0 0 314.301 3.725 50 5 DHBARN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)c1cccs1 ZINC000172058915 563950125 /nfs/dbraw/zinc/95/01/25/563950125.db2.gz DMFQZJSGPHSVMH-UHFFFAOYSA-N 0 0 318.398 3.593 50 5 DHBARN CCCCN(C)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000071805655 563958820 /nfs/dbraw/zinc/95/88/20/563958820.db2.gz ZNKNPIXPBFIYMU-UHFFFAOYSA-N 0 0 321.255 3.758 50 5 DHBARN C[C@H](Nc1c2ccccc2oc(=O)c1[N+](=O)[O-])c1ccccc1 ZINC000013572459 568413091 /nfs/dbraw/zinc/41/30/91/568413091.db2.gz UBWUFOROAVBWDP-NSHDSACASA-N 0 0 310.309 3.874 50 5 DHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCC1=CCCCC1 ZINC000000469114 1019922774 /nfs/dbraw/zinc/92/27/74/1019922774.db2.gz RNLYKYLWVLNGRN-MDZDMXLPSA-N 0 0 300.358 3.615 50 5 DHBARN CCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1C ZINC000000466490 1019922903 /nfs/dbraw/zinc/92/29/03/1019922903.db2.gz UDZATLQNJLKWLX-JLHYYAGUSA-N 0 0 310.353 3.970 50 5 DHBARN CC1(C)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@]2(C)CC[C@H]1C2 ZINC000013464300 1021568236 /nfs/dbraw/zinc/56/82/36/1021568236.db2.gz DCDQZYYZZXAUAQ-YLQAJVPDSA-N 0 0 302.374 3.539 50 5 DHBARN O=C(/C=C\c1ccccc1[N+](=O)[O-])NCc1ccccc1Cl ZINC000035242360 1031519555 /nfs/dbraw/zinc/51/95/55/1031519555.db2.gz HADFVSJIYXJLNP-KTKRTIGZSA-N 0 0 316.744 3.578 50 5 DHBARN CC1(C)CN(C(=O)c2cc3ccccc3c3cccnc23)CCO1 ZINC000078878622 185122143 /nfs/dbraw/zinc/12/21/43/185122143.db2.gz UQWRXJNBOOZQTE-UHFFFAOYSA-N 0 0 320.392 3.639 50 5 DHBARN CCOc1ccc(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000456683 190614015 /nfs/dbraw/zinc/61/40/15/190614015.db2.gz AGBYZRYWYDFJTF-UHFFFAOYSA-N 0 0 305.717 3.878 50 5 DHBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1cc2ccccc2cc1O ZINC000000466985 190614414 /nfs/dbraw/zinc/61/44/14/190614414.db2.gz PNHGMGGOJQQYEH-UHFFFAOYSA-N 0 0 323.304 3.811 50 5 DHBARN CCOc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000000303867 180753225 /nfs/dbraw/zinc/75/32/25/180753225.db2.gz LZVPKVZTYSZEBJ-UHFFFAOYSA-N 0 0 320.732 3.899 50 5 DHBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1ccccc1 ZINC000000483180 180804826 /nfs/dbraw/zinc/80/48/26/180804826.db2.gz LWVCEMYGUGVIMB-OLZOCXBDSA-N 0 0 316.744 3.990 50 5 DHBARN CCOc1ccccc1NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000000609189 180827263 /nfs/dbraw/zinc/82/72/63/180827263.db2.gz BPXZUTFZKBIEMM-UHFFFAOYSA-N 0 0 315.329 3.946 50 5 DHBARN CCCCCC(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 ZINC000003016527 180977239 /nfs/dbraw/zinc/97/72/39/180977239.db2.gz VGJQVRWLBWQFPW-UHFFFAOYSA-N 0 0 320.374 3.632 50 5 DHBARN O=C(Cc1ccccc1Cl)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000003416272 181016848 /nfs/dbraw/zinc/01/68/48/181016848.db2.gz RVMAPUHITZQYIV-UHFFFAOYSA-N 0 0 308.696 3.569 50 5 DHBARN Cc1csc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n1 ZINC000003430234 181018446 /nfs/dbraw/zinc/01/84/46/181018446.db2.gz AMPSLNLWADGORG-UHFFFAOYSA-N 0 0 324.383 3.519 50 5 DHBARN CCCCOC(=O)c1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1 ZINC000003880518 181051684 /nfs/dbraw/zinc/05/16/84/181051684.db2.gz HJFXLLDTHKAWLC-UHFFFAOYSA-N 0 0 315.329 3.690 50 5 DHBARN O=[N+]([O-])c1ccc(-c2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 ZINC000003832590 181048158 /nfs/dbraw/zinc/04/81/58/181048158.db2.gz MPUYYRPTFCMIMT-UHFFFAOYSA-N 0 0 310.269 3.560 50 5 DHBARN CC(C)(C)C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000004031606 181064886 /nfs/dbraw/zinc/06/48/86/181064886.db2.gz FNFSLTJNAKGCHI-UHFFFAOYSA-N 0 0 305.359 3.703 50 5 DHBARN Cc1ccc(C)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1C ZINC000004042998 181066571 /nfs/dbraw/zinc/06/65/71/181066571.db2.gz BPHDYCFRGIORSA-UHFFFAOYSA-N 0 0 314.341 3.538 50 5 DHBARN CCOC(=O)c1cccc(NSc2ccccc2[N+](=O)[O-])c1 ZINC000003958931 181059600 /nfs/dbraw/zinc/05/96/00/181059600.db2.gz AEDCWMBLPIGNSV-UHFFFAOYSA-N 0 0 318.354 3.891 50 5 DHBARN O=[N+]([O-])c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1 ZINC000004005682 181061533 /nfs/dbraw/zinc/06/15/33/181061533.db2.gz VKARCXAIYFAJCV-UHFFFAOYSA-N 0 0 310.269 3.560 50 5 DHBARN COc1ccccc1OCCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000004599228 181128782 /nfs/dbraw/zinc/12/87/82/181128782.db2.gz HLPCGSCGOLXMPH-UHFFFAOYSA-N 0 0 322.748 3.748 50 5 DHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H](C)c1ccccc1 ZINC000004600564 181129077 /nfs/dbraw/zinc/12/90/77/181129077.db2.gz LTNWLFRWYJGIEQ-GFCCVEGCSA-N 0 0 314.341 3.736 50 5 DHBARN Cc1ccc(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000004701521 181139173 /nfs/dbraw/zinc/13/91/73/181139173.db2.gz GAJMWLTXWHFRMC-UHFFFAOYSA-N 0 0 310.353 3.734 50 5 DHBARN Cc1cccc([N+](=O)[O-])c1NC(=O)Sc1ccc(O)cc1 ZINC000004793699 181152602 /nfs/dbraw/zinc/15/26/02/181152602.db2.gz FJSKUWRPBPZYQJ-UHFFFAOYSA-N 0 0 304.327 3.933 50 5 DHBARN CC(C)Oc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004821327 181156780 /nfs/dbraw/zinc/15/67/80/181156780.db2.gz JXWDPNYISACYQM-UHFFFAOYSA-N 0 0 300.314 3.634 50 5 DHBARN O=C(Nc1nccs1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000004842016 181161139 /nfs/dbraw/zinc/16/11/39/181161139.db2.gz CDBGUOPKWNXZDX-UHFFFAOYSA-N 0 0 315.310 3.564 50 5 DHBARN O=C(Nc1cc(F)cc(F)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000004858491 181164593 /nfs/dbraw/zinc/16/45/93/181164593.db2.gz HVFUIPHMNGFKOL-UHFFFAOYSA-N 0 0 312.659 3.779 50 5 DHBARN CCOc1cc(NC(C)C)c([N+](=O)[O-])cc1Br ZINC000074937721 191391537 /nfs/dbraw/zinc/39/15/37/191391537.db2.gz OOYVHFHUOZHVFE-UHFFFAOYSA-N 0 0 303.156 3.576 50 5 DHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(Cl)cc1 ZINC000005008804 181190034 /nfs/dbraw/zinc/19/00/34/181190034.db2.gz QNIMIDWHZATMTC-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN O=[N+]([O-])c1c2nsnc2ccc1NCCCc1ccccc1 ZINC000005375092 181236077 /nfs/dbraw/zinc/23/60/77/181236077.db2.gz DQTCGBVJXVNWMT-UHFFFAOYSA-N 0 0 314.370 3.644 50 5 DHBARN Cc1cc(C(=O)N[C@@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000005442936 181244434 /nfs/dbraw/zinc/24/44/34/181244434.db2.gz PHTMDYWTSJXVFV-MRXNPFEDSA-N 0 0 310.353 3.711 50 5 DHBARN Cc1ccc(F)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000005510059 181251141 /nfs/dbraw/zinc/25/11/41/181251141.db2.gz UOYWGAYGCDIMRE-UHFFFAOYSA-N 0 0 308.696 3.948 50 5 DHBARN O=c1[nH]c(C(Cl)(Cl)Cl)nc2c3ccccc3ccc12 ZINC000006147401 181315971 /nfs/dbraw/zinc/31/59/71/181315971.db2.gz SMTZEEYPYXYUPL-UHFFFAOYSA-N 0 0 313.571 3.903 50 5 DHBARN COc1ccc([N+](=O)[O-])cc1OCC(=O)c1ccc(Cl)cc1 ZINC000006290683 181326944 /nfs/dbraw/zinc/32/69/44/181326944.db2.gz BIRIJGIMBKVVJC-UHFFFAOYSA-N 0 0 321.716 3.519 50 5 DHBARN Cc1ccccc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000006406001 181338469 /nfs/dbraw/zinc/33/84/69/181338469.db2.gz OVEPADCLENMUKL-UHFFFAOYSA-N 0 0 302.355 3.634 50 5 DHBARN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1 ZINC000009253275 181610032 /nfs/dbraw/zinc/61/00/32/181610032.db2.gz MSOMXSFIBFOUQY-UHFFFAOYSA-N 0 0 322.773 3.979 50 5 DHBARN Cc1c(NCc2nc(-c3cccs3)no2)cccc1[N+](=O)[O-] ZINC000009364339 181617411 /nfs/dbraw/zinc/61/74/11/181617411.db2.gz LJFGTVDVYIGWBV-UHFFFAOYSA-N 0 0 316.342 3.627 50 5 DHBARN Cc1cc(C(=O)N2CCC[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000009112007 181601782 /nfs/dbraw/zinc/60/17/82/181601782.db2.gz HHSLSEQLWQJNEK-CZUORRHYSA-N 0 0 302.374 3.698 50 5 DHBARN CC1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000012848967 181803092 /nfs/dbraw/zinc/80/30/92/181803092.db2.gz YTSNUPNJKMDHPL-UHFFFAOYSA-N 0 0 310.781 3.899 50 5 DHBARN CCOc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000015554599 182006594 /nfs/dbraw/zinc/00/65/94/182006594.db2.gz CVSUUIYQHABXAD-SNVBAGLBSA-N 0 0 320.370 3.546 50 5 DHBARN CCn1c(C)cc(C(=O)COc2cc(C)ccc2[N+](=O)[O-])c1C ZINC000021615663 182281218 /nfs/dbraw/zinc/28/12/18/182281218.db2.gz LGXNFHYAAIHNFG-UHFFFAOYSA-N 0 0 316.357 3.603 50 5 DHBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2ccccc2)c([N+](=O)[O-])c1 ZINC000100170511 193796206 /nfs/dbraw/zinc/79/62/06/193796206.db2.gz JHMMNVQXKFUCCZ-SREVYHEPSA-N 0 0 315.241 3.582 50 5 DHBARN CC(C)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000039976633 183026136 /nfs/dbraw/zinc/02/61/36/183026136.db2.gz DVUXAKNQQKXETI-UHFFFAOYSA-N 0 0 312.369 3.575 50 5 DHBARN CCCn1c2ccccc2nc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004900247 431303468 /nfs/dbraw/zinc/30/34/68/431303468.db2.gz JLLIANWHDQWCMY-UHFFFAOYSA-N 0 0 324.340 3.607 50 5 DHBARN CCCn1c2ccccc2nc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004900371 431305127 /nfs/dbraw/zinc/30/51/27/431305127.db2.gz WKJMDEDYJHLPGD-UHFFFAOYSA-N 0 0 324.340 3.607 50 5 DHBARN CC(=O)Nc1ccc(Oc2c3ccccc3ncc2[N+](=O)[O-])cc1 ZINC000005283579 338009147 /nfs/dbraw/zinc/00/91/47/338009147.db2.gz WKSIJTWYGBSRGA-UHFFFAOYSA-N 0 0 323.308 3.894 50 5 DHBARN CCCOP(=O)(OCCC)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000003178541 563942632 /nfs/dbraw/zinc/94/26/32/563942632.db2.gz GBOFDOYHHWNSTR-CYBMUJFWSA-N 0 0 317.278 3.632 50 5 DHBARN O=c1c2ccc([N+](=O)[O-])c3cccc(c4nc5ccccc5n41)c23 ZINC000000226035 563231633 /nfs/dbraw/zinc/23/16/33/563231633.db2.gz JLAHLIKOBNNHKO-UHFFFAOYSA-N 0 0 315.288 3.500 50 5 DHBARN Cc1ccc(NC=C([C@@H]2OC(=O)c3ccccc32)[N+](=O)[O-])c(C)c1 ZINC000003041906 563321232 /nfs/dbraw/zinc/32/12/32/563321232.db2.gz CSMQMKXQLONWMF-BRVCPTFNSA-N 0 0 324.336 3.745 50 5 DHBARN O=c1cc(-c2ccc([N+](=O)[O-])cc2)c2cc(Cl)ccc2[nH]1 ZINC000003121734 563322381 /nfs/dbraw/zinc/32/23/81/563322381.db2.gz YKNQXBIVSRKXDX-UHFFFAOYSA-N 0 0 300.701 3.757 50 5 DHBARN CC(C)COc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000008073713 563344143 /nfs/dbraw/zinc/34/41/43/563344143.db2.gz QCJSPURCVGODQQ-UHFFFAOYSA-N 0 0 314.341 3.882 50 5 DHBARN Cc1cccc([C@H]2CCCN2c2nc3ccccn3c2[N+](=O)[O-])c1 ZINC000071970478 563416310 /nfs/dbraw/zinc/41/63/10/563416310.db2.gz BNBNVIZFIHULAC-OAHLLOKOSA-N 0 0 322.368 3.892 50 5 DHBARN O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])o1 ZINC000010922286 563420042 /nfs/dbraw/zinc/42/00/42/563420042.db2.gz AYGKJMYRILNHIJ-UHFFFAOYSA-N 0 0 316.096 3.852 50 5 DHBARN C[C@H](Nc1ccc([N+](=O)[O-])c2nonc21)c1ccccc1Cl ZINC000033012153 563461872 /nfs/dbraw/zinc/46/18/72/563461872.db2.gz QCCKNXGIEKCFHQ-QMMMGPOBSA-N 0 0 318.720 3.958 50 5 DHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1 ZINC000000041699 563508638 /nfs/dbraw/zinc/50/86/38/563508638.db2.gz VVNVULOSTOJUBS-BQYQJAHWSA-N 0 0 302.717 3.900 50 5 DHBARN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000000064762 563515820 /nfs/dbraw/zinc/51/58/20/563515820.db2.gz FWMMIDGETIMDPY-JTQLQIEISA-N 0 0 304.733 3.739 50 5 DHBARN O=C(CSc1ccccc1[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC000000075943 563523213 /nfs/dbraw/zinc/52/32/13/563523213.db2.gz KUCUIVBZVXIGHI-UHFFFAOYSA-N 0 0 323.757 3.946 50 5 DHBARN Cn1c(=O)c(-c2ccccc2[N+](=O)[O-])c(Cl)c2ccccc21 ZINC000000083520 563524701 /nfs/dbraw/zinc/52/47/01/563524701.db2.gz AFHKHYMAIYNQGO-UHFFFAOYSA-N 0 0 314.728 3.767 50 5 DHBARN O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000000098782 563527733 /nfs/dbraw/zinc/52/77/33/563527733.db2.gz CIRDLCSIJNBPLD-UHFFFAOYSA-N 0 0 310.231 3.866 50 5 DHBARN COc1ccc(Cl)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000000101907 563543410 /nfs/dbraw/zinc/54/34/10/563543410.db2.gz DKIIZJBAJLPGMZ-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000000103377 563543476 /nfs/dbraw/zinc/54/34/76/563543476.db2.gz WRLHWNCVQKIPMG-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN CC(=O)Nc1nc2c(c3c4ccccc4oc(=O)c13)CCCCC2 ZINC000100636609 563552381 /nfs/dbraw/zinc/55/23/81/563552381.db2.gz PUKULTUZYBZIOM-UHFFFAOYSA-N 0 0 322.364 3.569 50 5 DHBARN CC(C)(C)c1ccc(O)c(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000014202400 563561124 /nfs/dbraw/zinc/56/11/24/563561124.db2.gz VVZUPSRXSMWITN-UHFFFAOYSA-N 0 0 314.341 3.850 50 5 DHBARN CC(C)(C)c1cc(CS(=O)(=O)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000000116133 563570854 /nfs/dbraw/zinc/57/08/54/563570854.db2.gz AJDQVMQBKWDRCQ-UHFFFAOYSA-N 0 0 313.419 3.606 50 5 DHBARN Cc1cccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1C ZINC000000122311 563571702 /nfs/dbraw/zinc/57/17/02/563571702.db2.gz ZILRKADEQVPBEQ-UHFFFAOYSA-N 0 0 314.341 3.538 50 5 DHBARN CC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000000127342 563571720 /nfs/dbraw/zinc/57/17/20/563571720.db2.gz KMIPSWIKPDHLPK-UHFFFAOYSA-N 0 0 318.716 3.703 50 5 DHBARN Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000000133717 563571874 /nfs/dbraw/zinc/57/18/74/563571874.db2.gz QETYDVNJQKICOT-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN Cc1ccc(C2=N/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1C ZINC000000178093 563575249 /nfs/dbraw/zinc/57/52/49/563575249.db2.gz HMLGMMILTKDENG-YBEGLDIGSA-N 0 0 322.320 3.556 50 5 DHBARN Cc1ccccc1N1C(=O)CS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000240182 563580565 /nfs/dbraw/zinc/58/05/65/563580565.db2.gz ASXWETYJQTVLMW-INIZCTEOSA-N 0 0 314.366 3.682 50 5 DHBARN C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000000288700 563584148 /nfs/dbraw/zinc/58/41/48/563584148.db2.gz NBBCRDKZQJMSCV-SNVBAGLBSA-N 0 0 304.733 3.739 50 5 DHBARN O=C(Nc1cccc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000000291000 563584827 /nfs/dbraw/zinc/58/48/27/563584827.db2.gz LBNSHSUJHXCWON-UHFFFAOYSA-N 0 0 321.130 3.610 50 5 DHBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(F)c(F)cc1Cl ZINC000000302120 563586807 /nfs/dbraw/zinc/58/68/07/563586807.db2.gz RDECLXVUVBFLPV-UHFFFAOYSA-N 0 0 312.659 3.779 50 5 DHBARN CC(C)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000000309329 563586906 /nfs/dbraw/zinc/58/69/06/563586906.db2.gz CCRGFPHJHHQNCP-UHFFFAOYSA-N 0 0 314.341 3.736 50 5 DHBARN COc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000000303037 563587028 /nfs/dbraw/zinc/58/70/28/563587028.db2.gz NIIVMEFMJIRWFN-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN Cc1cc(F)ccc1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000033477395 563592138 /nfs/dbraw/zinc/59/21/38/563592138.db2.gz SOGNRUOXINYZNU-YVMONPNESA-N 0 0 300.289 3.694 50 5 DHBARN Cc1ccc(Cl)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000000442673 563614647 /nfs/dbraw/zinc/61/46/47/563614647.db2.gz MDDWIMUJLBQDIW-UHFFFAOYSA-N 0 0 304.733 3.738 50 5 DHBARN Cc1ccccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000000449421 563615079 /nfs/dbraw/zinc/61/50/79/563615079.db2.gz DYWDIFJYNZBPIK-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN COc1cc(C=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000000450459 563615712 /nfs/dbraw/zinc/61/57/12/563615712.db2.gz IQJLIAPBNJUKNX-UHFFFAOYSA-N 0 0 321.716 3.648 50 5 DHBARN O=C(CCSc1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000000468916 563623072 /nfs/dbraw/zinc/62/30/72/563623072.db2.gz ZKLQIGKKKCFBLQ-UHFFFAOYSA-N 0 0 302.355 3.716 50 5 DHBARN C[C@H](C(=O)NCc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000000471193 563624061 /nfs/dbraw/zinc/62/40/61/563624061.db2.gz OSYQPVDUWMHJSU-NSHDSACASA-N 0 0 318.760 3.668 50 5 DHBARN COc1ccc(C)cc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000000475806 563624649 /nfs/dbraw/zinc/62/46/49/563624649.db2.gz ZMGOUZSMCOXTOF-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN C[C@@H](C(=O)Nc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000000471384 563624937 /nfs/dbraw/zinc/62/49/37/563624937.db2.gz KSWAUQRCAXOIRZ-SNVBAGLBSA-N 0 0 304.733 3.990 50 5 DHBARN O=[N+]([O-])c1cccc(COc2ccc(Br)cc2)c1 ZINC000000472062 563625026 /nfs/dbraw/zinc/62/50/26/563625026.db2.gz WTXUPWNYUIEZBY-UHFFFAOYSA-N 0 0 308.131 3.936 50 5 DHBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1O ZINC000000566939 563670820 /nfs/dbraw/zinc/67/08/20/563670820.db2.gz IBYMMZRSUPQKJQ-UHFFFAOYSA-N 0 0 323.304 3.811 50 5 DHBARN O=C(c1csc([N+](=O)[O-])c1)N1CCC=Cc2ccccc21 ZINC000190104263 563674530 /nfs/dbraw/zinc/67/45/30/563674530.db2.gz OLALDXMHSCKLPV-UHFFFAOYSA-N 0 0 300.339 3.720 50 5 DHBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1ccsc1 ZINC000048248634 563694378 /nfs/dbraw/zinc/69/43/78/563694378.db2.gz JVPCMWKQYSZJIZ-CQSZACIVSA-N 0 0 316.382 3.563 50 5 DHBARN O=C(NCCC1=CCCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000048298007 563695887 /nfs/dbraw/zinc/69/58/87/563695887.db2.gz HYGZTMXYCITOSK-UHFFFAOYSA-N 0 0 313.357 3.696 50 5 DHBARN Cc1c(NC(=O)N(CCC(C)C)C2CC2)cccc1[N+](=O)[O-] ZINC000048345041 563697177 /nfs/dbraw/zinc/69/71/77/563697177.db2.gz JFLKBPJRSRNHBN-UHFFFAOYSA-N 0 0 305.378 3.946 50 5 DHBARN Cc1ccc(-c2noc(COc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000000616089 563698722 /nfs/dbraw/zinc/69/87/22/563698722.db2.gz XNMZGXRKRGCZKW-UHFFFAOYSA-N 0 0 311.297 3.532 50 5 DHBARN CN(Cc1cc(Cl)cc(Cl)c1)c1ncccc1[N+](=O)[O-] ZINC000048565584 563699166 /nfs/dbraw/zinc/69/91/66/563699166.db2.gz OYOBONGFDYOWLO-UHFFFAOYSA-N 0 0 312.156 3.933 50 5 DHBARN COc1ccc(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)c(OC)c1 ZINC000226305298 563783455 /nfs/dbraw/zinc/78/34/55/563783455.db2.gz JVRBRGUOOIENFE-UHFFFAOYSA-N 0 0 314.297 3.729 50 5 DHBARN Cc1cc(C)c2c(n1)sc1c2nnn2c3ccccc3nc12 ZINC000000969350 563785500 /nfs/dbraw/zinc/78/55/00/563785500.db2.gz MEZCXZIGJJIMKG-UHFFFAOYSA-N 0 0 305.366 3.657 50 5 DHBARN O=[N+]([O-])c1ccc(Sc2ncc3ccccn32)c2ccncc21 ZINC000025370976 563787560 /nfs/dbraw/zinc/78/75/60/563787560.db2.gz WMADQCKSTCRXRM-UHFFFAOYSA-N 0 0 322.349 3.942 50 5 DHBARN Cc1ccc(Sc2ccc(C(=O)N(C)C)cc2[N+](=O)[O-])cc1 ZINC000001386989 563813428 /nfs/dbraw/zinc/81/34/28/563813428.db2.gz YDYNEEMBSYFRRO-UHFFFAOYSA-N 0 0 316.382 3.756 50 5 DHBARN Cc1ccc(CN(C)C(=O)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000087238964 563852705 /nfs/dbraw/zinc/85/27/05/563852705.db2.gz CLQJBFFRWCIYMX-UHFFFAOYSA-N 0 0 318.398 3.556 50 5 DHBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CSc2ccccc21 ZINC000118194553 563869639 /nfs/dbraw/zinc/86/96/39/563869639.db2.gz XGWJFGQUEHSKER-LLVKDONJSA-N 0 0 318.329 3.562 50 5 DHBARN O=c1[nH]c(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2ccc(F)cc12 ZINC000053855994 563877580 /nfs/dbraw/zinc/87/75/80/563877580.db2.gz YQFIJXOLRQVOBM-UHFFFAOYSA-N 0 0 319.679 3.703 50 5 DHBARN CC(C)c1cccc(Oc2ncc([N+](=O)[O-])c(NC3CC3)n2)c1 ZINC000026693917 563878825 /nfs/dbraw/zinc/87/88/25/563878825.db2.gz OZLJAPKLRBAFAQ-UHFFFAOYSA-N 0 0 314.345 3.875 50 5 DHBARN C[C@H](Nc1ncccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000026709821 563879240 /nfs/dbraw/zinc/87/92/40/563879240.db2.gz WPPXJHWPFQZECZ-VIFPVBQESA-N 0 0 322.162 3.925 50 5 DHBARN Oc1ccc2c(c1)oc1c2nc2n[nH]cc2c1-c1cccc(O)c1 ZINC000096221614 563890343 /nfs/dbraw/zinc/89/03/43/563890343.db2.gz DVISMFROJXZCDX-UHFFFAOYSA-N 0 0 317.304 3.936 50 5 biogenic DHBARN Nc1ccc(C(=O)OCc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000007122370 563903417 /nfs/dbraw/zinc/90/34/17/563903417.db2.gz CKSBOLCXVDTJSN-UHFFFAOYSA-N 0 0 322.320 3.687 50 5 DHBARN O=C(Oc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000002156337 563916121 /nfs/dbraw/zinc/91/61/21/563916121.db2.gz RXULDVIRCGTXET-UHFFFAOYSA-N 0 0 311.215 3.833 50 5 DHBARN O=C(Nc1cccc([N+](=O)[O-])c1)Oc1cccc2cccnc21 ZINC000002164679 563916697 /nfs/dbraw/zinc/91/66/97/563916697.db2.gz DNDPTCRDIRIHJU-UHFFFAOYSA-N 0 0 309.281 3.754 50 5 DHBARN C[C@H](CCO)N(Cc1ccccc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000095458774 563931601 /nfs/dbraw/zinc/93/16/01/563931601.db2.gz CZOBRHKXHPAPLW-CYBMUJFWSA-N 0 0 318.348 3.511 50 5 DHBARN COc1ccccc1C(C)(C)NCc1csc([N+](=O)[O-])c1 ZINC000096403976 563936675 /nfs/dbraw/zinc/93/66/75/563936675.db2.gz IPUUJOUSGHKOHP-UHFFFAOYSA-N 0 0 306.387 3.690 50 5 DHBARN COc1cc(N[C@H](c2nccs2)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000096489925 563937370 /nfs/dbraw/zinc/93/73/70/563937370.db2.gz YNBDENVJNBICLW-ZDUSSCGKSA-N 0 0 323.349 3.762 50 5 DHBARN CCc1ccccc1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000055826721 563939190 /nfs/dbraw/zinc/93/91/90/563939190.db2.gz LIKJQIKIELQTIG-UHFFFAOYSA-N 0 0 324.340 3.819 50 5 DHBARN Cc1nn(COc2cc(C)c(Cl)c(C)c2)c(C)c1[N+](=O)[O-] ZINC000002731892 563940616 /nfs/dbraw/zinc/94/06/16/563940616.db2.gz ZOYOBLMPEHHLOT-UHFFFAOYSA-N 0 0 309.753 3.715 50 5 DHBARN Cc1ccc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2n1 ZINC000002766436 563940673 /nfs/dbraw/zinc/94/06/73/563940673.db2.gz BWGAHHITLORLJM-UHFFFAOYSA-N 0 0 308.293 3.671 50 5 DHBARN Cc1c(C(=O)NCCSC2CCCCC2)cccc1[N+](=O)[O-] ZINC000002816115 563940846 /nfs/dbraw/zinc/94/08/46/563940846.db2.gz DUAIIQNSADBVHT-UHFFFAOYSA-N 0 0 322.430 3.699 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccccc1 ZINC000003080981 563941922 /nfs/dbraw/zinc/94/19/22/563941922.db2.gz MMUOZHJVIVYGQT-UHFFFAOYSA-N 0 0 316.382 3.775 50 5 DHBARN Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])c2cccnc12 ZINC000031091643 563944268 /nfs/dbraw/zinc/94/42/68/563944268.db2.gz WRWYYBQIVSQWQT-UHFFFAOYSA-N 0 0 307.309 3.704 50 5 DHBARN Cc1ccccc1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000007983133 563946001 /nfs/dbraw/zinc/94/60/01/563946001.db2.gz OYJCLJIRTCWQFE-UHFFFAOYSA-N 0 0 318.760 3.829 50 5 DHBARN CC(=O)c1ccc(NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 ZINC000008149102 563946983 /nfs/dbraw/zinc/94/69/83/563946983.db2.gz LXTSPDZZJMEBQT-UHFFFAOYSA-N 0 0 323.352 3.933 50 5 DHBARN O=[N+]([O-])c1ccccc1-c1nnc(/C=C/c2ccc(F)cc2)o1 ZINC000008306482 563947678 /nfs/dbraw/zinc/94/76/78/563947678.db2.gz UASXPFFSTDIXQN-JXMROGBWSA-N 0 0 311.272 3.954 50 5 DHBARN CC(C)CNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000067190038 563948568 /nfs/dbraw/zinc/94/85/68/563948568.db2.gz AFODJCSJWYPIBK-LDADJPATSA-N 0 0 324.380 3.908 50 5 DHBARN Cc1cccnc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000008780151 563950771 /nfs/dbraw/zinc/95/07/71/563950771.db2.gz SQFYJOXQLIOFBH-UHFFFAOYSA-N 0 0 313.338 3.765 50 5 DHBARN Cc1cc(OCc2cc(-c3ccco3)on2)ccc1[N+](=O)[O-] ZINC000010320504 563958498 /nfs/dbraw/zinc/95/84/98/563958498.db2.gz GNCJMBMLBFENPK-UHFFFAOYSA-N 0 0 300.270 3.730 50 5 DHBARN O=C(/C=C\c1ccc(-c2ccccc2[N+](=O)[O-])s1)NC1CC1 ZINC000098054139 1015502736 /nfs/dbraw/zinc/50/27/36/1015502736.db2.gz IWSFWGYJSBDBBJ-NTMALXAHSA-N 0 0 314.366 3.615 50 5 DHBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCc1ccccc1Cl ZINC000033383507 1021354613 /nfs/dbraw/zinc/35/46/13/1021354613.db2.gz ZVQBAXNXKRRQJW-YFHOEESVSA-N 0 0 316.744 3.578 50 5 DHBARN O=[N+]([O-])c1ccc(/C=C\Sc2nncn2-c2ccccc2)o1 ZINC000096936395 185392803 /nfs/dbraw/zinc/39/28/03/185392803.db2.gz MGGIIIXQJGLPCO-HJWRWDBZSA-N 0 0 314.326 3.532 50 5 DHBARN CC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000090466188 185297978 /nfs/dbraw/zinc/29/79/78/185297978.db2.gz UYCCXRSHNBFZTJ-KKUMJFAQSA-N 0 0 314.341 3.559 50 5 DHBARN Cc1nnc(-c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)o1 ZINC000000316768 180758143 /nfs/dbraw/zinc/75/81/43/180758143.db2.gz ZDLIOWDCNXKJSI-UHFFFAOYSA-N 0 0 315.260 3.885 50 5 DHBARN CNc1nnc(-c2cc3c(ccc4ccccc43)oc2=O)s1 ZINC000000387589 180774828 /nfs/dbraw/zinc/77/48/28/180774828.db2.gz FVHSWDAAACWMFU-UHFFFAOYSA-N 0 0 309.350 3.506 50 5 DHBARN O=[N+]([O-])c1ccc(-c2noc(-c3cccc(Cl)c3)n2)cc1 ZINC000000462215 180798251 /nfs/dbraw/zinc/79/82/51/180798251.db2.gz FXYLDLUPRJEJPD-UHFFFAOYSA-N 0 0 301.689 3.965 50 5 DHBARN CCOc1ccccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000000471457 180801772 /nfs/dbraw/zinc/80/17/72/180801772.db2.gz VUASLPMOPLTWLP-GFCCVEGCSA-N 0 0 314.341 3.736 50 5 DHBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2n1 ZINC000003234969 180994560 /nfs/dbraw/zinc/99/45/60/180994560.db2.gz WAIMGNFIBRDSPY-UHFFFAOYSA-N 0 0 308.293 3.500 50 5 DHBARN C[C@H]1C[C@H]1C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 ZINC000003286567 181000391 /nfs/dbraw/zinc/00/03/91/181000391.db2.gz DMSWOIBHKLUPSN-XHDPSFHLSA-N 0 0 308.333 3.645 50 5 DHBARN Cc1cc(C(=O)Nc2nc(C(C)(C)C)cs2)ccc1[N+](=O)[O-] ZINC000003437611 181019742 /nfs/dbraw/zinc/01/97/42/181019742.db2.gz XLQWFVSHRBZTLY-UHFFFAOYSA-N 0 0 319.386 3.910 50 5 DHBARN COc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccccc1 ZINC000004091237 181071838 /nfs/dbraw/zinc/07/18/38/181071838.db2.gz HGVDYDIWZCHHKB-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN Nc1c(Br)cc([N+](=O)[O-])cc1OCc1ccccc1 ZINC000004100920 181073433 /nfs/dbraw/zinc/07/34/33/181073433.db2.gz CRKNEPJRORQMRX-UHFFFAOYSA-N 0 0 323.146 3.519 50 5 DHBARN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000004541849 181121942 /nfs/dbraw/zinc/12/19/42/181121942.db2.gz FVGRNGOVLMYFIE-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN O=C(Nc1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000004587792 181127241 /nfs/dbraw/zinc/12/72/41/181127241.db2.gz ZKIZIYLXEIHPEA-UHFFFAOYSA-N 0 0 312.659 3.779 50 5 DHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 ZINC000004598744 181128748 /nfs/dbraw/zinc/12/87/48/181128748.db2.gz HZNJXGKTQVSATD-UHFFFAOYSA-N 0 0 300.358 3.750 50 5 DHBARN Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000004599169 181128768 /nfs/dbraw/zinc/12/87/68/181128768.db2.gz KOKPPSWBLFTOPX-UHFFFAOYSA-N 0 0 308.696 3.948 50 5 DHBARN CCO[C@H]1CC(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000004612940 181129829 /nfs/dbraw/zinc/12/98/29/181129829.db2.gz PIPVNMOXKPPQBP-KRWDZBQOSA-N 0 0 311.341 3.572 50 5 DHBARN O=C(OCC12CC3CC(CC(C3)C1)C2)c1ccc([N+](=O)[O-])cc1 ZINC000004698383 181138456 /nfs/dbraw/zinc/13/84/56/181138456.db2.gz GUHVKAPDQTZCNO-UHFFFAOYSA-N 0 0 315.369 3.968 50 5 DHBARN CCOC(=O)c1ccc(N[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000004708880 181140141 /nfs/dbraw/zinc/14/01/41/181140141.db2.gz BXDCFLSLMLUPRQ-LBPRGKRZSA-N 0 0 314.341 3.945 50 5 DHBARN CCN(CC)c1cc(N2CCCCCC2)c([N+](=O)[O-])cc1F ZINC000004706646 181140663 /nfs/dbraw/zinc/14/06/63/181140663.db2.gz BEKSBADIWLJLSB-UHFFFAOYSA-N 0 0 309.385 3.961 50 5 DHBARN CC[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000004754435 181148224 /nfs/dbraw/zinc/14/82/24/181148224.db2.gz QOTHRWJWXMHTBV-AWEZNQCLSA-N 0 0 314.341 3.736 50 5 DHBARN Cc1ccccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004819512 181156523 /nfs/dbraw/zinc/15/65/23/181156523.db2.gz OJQKESZSXPNXIH-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN O=[N+]([O-])c1cccc(NCc2ccc(Br)cc2)c1 ZINC000004838753 181160219 /nfs/dbraw/zinc/16/02/19/181160219.db2.gz FDHZGLKATWTLDU-UHFFFAOYSA-N 0 0 307.147 3.969 50 5 DHBARN COc1cccc(-c2noc(-c3cccc([N+](=O)[O-])c3C)n2)c1 ZINC000004850592 181162304 /nfs/dbraw/zinc/16/23/04/181162304.db2.gz SAWKJMHVGPVYJJ-UHFFFAOYSA-N 0 0 311.297 3.629 50 5 DHBARN COc1ccc(NC(=O)c2ccc(C(C)C)cc2)c([N+](=O)[O-])c1 ZINC000004893630 181169600 /nfs/dbraw/zinc/16/96/00/181169600.db2.gz UWOPRKLSUUJQTB-UHFFFAOYSA-N 0 0 314.341 3.979 50 5 DHBARN Cc1ccc(C)c(SCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000005019761 181191911 /nfs/dbraw/zinc/19/19/11/181191911.db2.gz SHFZFKDBOWWKAA-UHFFFAOYSA-N 0 0 316.382 3.942 50 5 DHBARN Cc1ccc(OCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c(C)c1 ZINC000005093940 181203175 /nfs/dbraw/zinc/20/31/75/181203175.db2.gz KAJUPWWBCPMKEA-UHFFFAOYSA-N 0 0 314.341 3.538 50 5 DHBARN COc1ccsc1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000005353314 181233807 /nfs/dbraw/zinc/23/38/07/181233807.db2.gz ZRVLPYBSXBUODA-UHFFFAOYSA-N 0 0 312.734 3.571 50 5 DHBARN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cccs1 ZINC000005600454 181262500 /nfs/dbraw/zinc/26/25/00/181262500.db2.gz JGIIESQTAXJCDC-UHFFFAOYSA-N 0 0 316.260 3.927 50 5 DHBARN O=[N+]([O-])c1ccc(NN=c2[nH]nc(Cl)c3ccccc32)cc1 ZINC000005704875 181274815 /nfs/dbraw/zinc/27/48/15/181274815.db2.gz YYSRWPWAQMSHNH-UHFFFAOYSA-N 0 0 315.720 3.630 50 5 DHBARN Cc1ccc(N(C(=O)c2cc([N+](=O)[O-])cnc2C)C(C)C)cc1 ZINC000089633297 192829800 /nfs/dbraw/zinc/82/98/00/192829800.db2.gz JDTKIMYMRYNAFU-UHFFFAOYSA-N 0 0 313.357 3.662 50 5 DHBARN O=c1[nH]c(C(Cl)(Cl)Cl)nc2ccc3ccccc3c21 ZINC000006147403 181316484 /nfs/dbraw/zinc/31/64/84/181316484.db2.gz BUXAYGYOWBWPRS-UHFFFAOYSA-N 0 0 313.571 3.903 50 5 DHBARN Cc1cc(C(=O)Nc2cccc3ncccc32)ccc1[N+](=O)[O-] ZINC000006203084 181319273 /nfs/dbraw/zinc/31/92/73/181319273.db2.gz IWPJTDIQMNEFHR-UHFFFAOYSA-N 0 0 307.309 3.704 50 5 DHBARN CCCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000006330740 181330571 /nfs/dbraw/zinc/33/05/71/181330571.db2.gz FSZFECSATFAFJB-UHFFFAOYSA-N 0 0 314.341 3.944 50 5 DHBARN CSc1ccc(C(=O)NC2CCCCCC2)cc1[N+](=O)[O-] ZINC000006652295 181365904 /nfs/dbraw/zinc/36/59/04/181365904.db2.gz QHUYFRUBFFOORC-UHFFFAOYSA-N 0 0 308.403 3.769 50 5 DHBARN CCc1nc2c(c(C)c(C)n2CCOC)c2nc3ccccc3n21 ZINC000006665677 181367450 /nfs/dbraw/zinc/36/74/50/181367450.db2.gz NJKVQJMSLMYVRX-UHFFFAOYSA-N 0 0 322.412 3.663 50 5 DHBARN CC(C)[C@@H](C)NC(=O)CS[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000007133378 181441863 /nfs/dbraw/zinc/44/18/63/181441863.db2.gz NMCGBVSXZNXJRB-VXGBXAGGSA-N 0 0 310.419 3.550 50 5 DHBARN CN(Cc1cc2ccccc2o1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000096445186 193649098 /nfs/dbraw/zinc/64/90/98/193649098.db2.gz WGPNSZZROQMRAK-UHFFFAOYSA-N 0 0 324.336 3.542 50 5 DHBARN CC(C)Oc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000009227748 181608138 /nfs/dbraw/zinc/60/81/38/181608138.db2.gz PVPIUCQICATXKQ-UHFFFAOYSA-N 0 0 314.341 3.563 50 5 DHBARN CCN(CC)c1ccc(-c2nc(C(C)C)no2)cc1[N+](=O)[O-] ZINC000015833940 182019654 /nfs/dbraw/zinc/01/96/54/182019654.db2.gz ZACWWIQHISUERZ-UHFFFAOYSA-N 0 0 304.350 3.614 50 5 DHBARN NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1ccccc1 ZINC000017178132 182078335 /nfs/dbraw/zinc/07/83/35/182078335.db2.gz JNJOLYKPIAORPJ-XDOYNYLZSA-N 0 0 314.344 3.917 50 5 DHBARN O=C(NCCc1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000017055132 182072586 /nfs/dbraw/zinc/07/25/86/182072586.db2.gz MJYQKBNTZYWKMJ-UHFFFAOYSA-N 0 0 319.748 3.612 50 5 DHBARN Cc1ccc(-c2noc(-c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)cc1 ZINC000020897684 182252085 /nfs/dbraw/zinc/25/20/85/182252085.db2.gz UXKZKDRJWNMWBG-UHFFFAOYSA-N 0 0 324.340 3.686 50 5 DHBARN COC(=O)c1cc(-c2ccc(SC)cc2)cc([N+](=O)[O-])c1 ZINC000097757141 193754824 /nfs/dbraw/zinc/75/48/24/193754824.db2.gz KSXRLKHSGUHBOW-UHFFFAOYSA-N 0 0 303.339 3.770 50 5 DHBARN C[C@H](Sc1nnnn1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000021732417 182287061 /nfs/dbraw/zinc/28/70/61/182287061.db2.gz JOGMJSMKVWAHJC-JTQLQIEISA-N 0 0 319.390 3.550 50 5 DHBARN Cc1ccc(C(=O)N(C)[C@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000024234845 182377208 /nfs/dbraw/zinc/37/72/08/182377208.db2.gz IPLSWBNKMWMPCO-LLVKDONJSA-N 0 0 304.371 3.798 50 5 DHBARN Cc1ccc([N+](=O)[O-])c(C)c1OCC(=O)c1ccc(F)c(F)c1 ZINC000029750881 182576422 /nfs/dbraw/zinc/57/64/22/182576422.db2.gz IVBBYLWSISWVSI-UHFFFAOYSA-N 0 0 321.279 3.752 50 5 DHBARN COc1cc([N+](=O)[O-])ccc1Sc1nc2ccccc2n1C ZINC000030836001 182598896 /nfs/dbraw/zinc/59/88/96/182598896.db2.gz SYHSFHGXFQIMCN-UHFFFAOYSA-N 0 0 315.354 3.641 50 5 DHBARN Cc1cc([C@H](C)NC(=O)c2ccccc2[N+](=O)[O-])c(C)s1 ZINC000040074310 183031474 /nfs/dbraw/zinc/03/14/74/183031474.db2.gz GADVPJQNPGARAP-JTQLQIEISA-N 0 0 304.371 3.764 50 5 DHBARN Cc1c(C(=O)N2CCCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000040133936 183038726 /nfs/dbraw/zinc/03/87/26/183038726.db2.gz RBIBQRNILDMLKH-UHFFFAOYSA-N 0 0 310.353 3.886 50 5 DHBARN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccccc1 ZINC000043191298 183343614 /nfs/dbraw/zinc/34/36/14/183343614.db2.gz JRELMRXUDCTPQI-UHFFFAOYSA-N 0 0 301.302 3.638 50 5 DHBARN O=[N+]([O-])c1ccc(NCc2ccc(Oc3ccccc3)nc2)nc1 ZINC000060333613 184146314 /nfs/dbraw/zinc/14/63/14/184146314.db2.gz BMEUSHYCHSJUCY-UHFFFAOYSA-N 0 0 322.324 3.789 50 5 DHBARN COC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(C)cc2)c1 ZINC000063110847 184271111 /nfs/dbraw/zinc/27/11/11/184271111.db2.gz XCZJXKQJMHVPIP-UHFFFAOYSA-N 0 0 303.339 3.841 50 5 DHBARN O=C(OCc1csc([N+](=O)[O-])c1)c1sccc1C1CC1 ZINC000063974103 184291544 /nfs/dbraw/zinc/29/15/44/184291544.db2.gz GWZREUZZXVJQGO-UHFFFAOYSA-N 0 0 309.368 3.952 50 5 DHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@@H](C)c1ccco1 ZINC000156033350 197082004 /nfs/dbraw/zinc/08/20/04/197082004.db2.gz MOVMYSUAFYOTEZ-NSHDSACASA-N 0 0 303.318 3.721 50 5 DHBARN O=C(Nc1ccccc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000152959844 196839003 /nfs/dbraw/zinc/83/90/03/196839003.db2.gz CLACAYFEFRSXJU-UHFFFAOYSA-N 0 0 321.130 3.610 50 5 DHBARN C[C@@H]1c2ccccc2CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000341067981 257237026 /nfs/dbraw/zinc/23/70/26/257237026.db2.gz SCMYEENDWKTWEF-CYBMUJFWSA-N 0 0 310.353 3.631 50 5 DHBARN O=C(CS/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccccc1 ZINC000408516293 257255387 /nfs/dbraw/zinc/25/53/87/257255387.db2.gz RASUWCBREPIBBN-CMDGGOBGSA-N 0 0 304.327 3.530 50 5 DHBARN Cc1c(NC(=O)/C=C/c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000000464082 331462941 /nfs/dbraw/zinc/46/29/41/331462941.db2.gz KKYSPQBZADQOCY-JXMROGBWSA-N 0 0 300.289 3.694 50 5 DHBARN CCOc1ncccc1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000095420095 332169977 /nfs/dbraw/zinc/16/99/77/332169977.db2.gz AABNISZRXXHHHM-CYBMUJFWSA-N 0 0 315.373 3.548 50 5 DHBARN CC(C)CCC[C@H](C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000002829424 563866090 /nfs/dbraw/zinc/86/60/90/563866090.db2.gz LZSRJCVPEHLFLT-TZIYXEQSSA-N 0 0 304.390 3.939 50 5 DHBARN O=[N+]([O-])c1ccccc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000004347634 563370812 /nfs/dbraw/zinc/37/08/12/563370812.db2.gz YZKQBUWNKRTZQC-UHFFFAOYSA-N 0 0 311.385 3.671 50 5 DHBARN Cc1ccc(SCCOC(=O)c2ccc([N+](=O)[O-])o2)cc1C ZINC000032933377 563414905 /nfs/dbraw/zinc/41/49/05/563414905.db2.gz UJYZAMMWVZTZIJ-UHFFFAOYSA-N 0 0 321.354 3.754 50 5 DHBARN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000010923960 563419716 /nfs/dbraw/zinc/41/97/16/563419716.db2.gz CNSVUXCNDSDXRK-UHFFFAOYSA-N 0 0 322.773 3.508 50 5 DHBARN CCN(CC)c1cc(N2CCC(C)CC2)c([N+](=O)[O-])cc1F ZINC000004701100 563500523 /nfs/dbraw/zinc/50/05/23/563500523.db2.gz UTDYWLCVXAPBCZ-UHFFFAOYSA-N 0 0 309.385 3.816 50 5 DHBARN Cc1c(COC(=O)C2(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000060736850 563522780 /nfs/dbraw/zinc/52/27/80/563522780.db2.gz XASGBTFFIGJHFT-UHFFFAOYSA-N 0 0 311.337 3.678 50 5 DHBARN O=[N+]([O-])c1ccc(Sc2nc3ccccc3[nH]2)c([N+](=O)[O-])c1 ZINC000003059030 563525809 /nfs/dbraw/zinc/52/58/09/563525809.db2.gz RHFGBYHJOWMZHY-UHFFFAOYSA-N 0 0 316.298 3.531 50 5 DHBARN Cc1cc(O)c(C(C)C)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000092332 563527712 /nfs/dbraw/zinc/52/77/12/563527712.db2.gz HDGWMMQSXLWICT-UHFFFAOYSA-N 0 0 314.341 3.985 50 5 DHBARN Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000000102056 563543111 /nfs/dbraw/zinc/54/31/11/563543111.db2.gz DUJRVEWWPMCTQV-UHFFFAOYSA-N 0 0 308.696 3.948 50 5 DHBARN O=C(COc1ccccc1[N+](=O)[O-])OCCCC1CCCCC1 ZINC000013987920 563546245 /nfs/dbraw/zinc/54/62/45/563546245.db2.gz ZDXIWWKXSBEDDU-UHFFFAOYSA-N 0 0 321.373 3.877 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@@H]2C=CCCCC[C@@H]21 ZINC000100107585 563558677 /nfs/dbraw/zinc/55/86/77/563558677.db2.gz VSOZXAHPNMJONZ-IJEWVQPXSA-N 0 0 300.358 3.834 50 5 DHBARN CCc1cccc(C)c1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000000117035 563570310 /nfs/dbraw/zinc/57/03/10/563570310.db2.gz VZRQNVOSKZRXFR-UHFFFAOYSA-N 0 0 314.341 3.727 50 5 DHBARN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccco1 ZINC000000149029 563572472 /nfs/dbraw/zinc/57/24/72/563572472.db2.gz WQRQAAQBWATKQO-UHFFFAOYSA-N 0 0 315.310 3.564 50 5 DHBARN Cc1nc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc1C ZINC000000168537 563574069 /nfs/dbraw/zinc/57/40/69/563574069.db2.gz ZCBBOUARVSQEGT-UHFFFAOYSA-N 0 0 311.750 3.574 50 5 DHBARN Cc1cc(C(=O)Nc2cnc3ccccc3c2)ccc1[N+](=O)[O-] ZINC000000174761 563574528 /nfs/dbraw/zinc/57/45/28/563574528.db2.gz PEGZMBGTOGLRJV-UHFFFAOYSA-N 0 0 307.309 3.704 50 5 DHBARN Cc1ccc(-c2nc3cc(Cl)ccc3c(=O)o2)cc1[N+](=O)[O-] ZINC000000174752 563574703 /nfs/dbraw/zinc/57/47/03/563574703.db2.gz KBYKSHCROWQQSU-UHFFFAOYSA-N 0 0 316.700 3.725 50 5 DHBARN O=C(Nc1ccc(Cl)cn1)c1ccc([N+](=O)[O-])cc1Cl ZINC000000236285 563579780 /nfs/dbraw/zinc/57/97/80/563579780.db2.gz XRFVIBDTSMDUJA-UHFFFAOYSA-N 0 0 312.112 3.549 50 5 DHBARN CC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000000259707 563582883 /nfs/dbraw/zinc/58/28/83/563582883.db2.gz DLDMGOQPCNYIMZ-UHFFFAOYSA-N 0 0 318.716 3.703 50 5 DHBARN Cc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000000296247 563584965 /nfs/dbraw/zinc/58/49/65/563584965.db2.gz HFQYWKPVHJOEKZ-UHFFFAOYSA-N 0 0 308.696 3.948 50 5 DHBARN O=C(Nc1cccnc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000000381212 563591373 /nfs/dbraw/zinc/59/13/73/563591373.db2.gz FWDRAPQADCLBCR-UHFFFAOYSA-N 0 0 309.281 3.502 50 5 DHBARN C[C@@H]1CC[C@H]2CCCC[C@H]2N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000248335181 563603399 /nfs/dbraw/zinc/60/33/99/563603399.db2.gz MOMLIPCTFFGVNI-XJKCOSOUSA-N 0 0 302.374 3.778 50 5 DHBARN CCOc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000000442652 563615151 /nfs/dbraw/zinc/61/51/51/563615151.db2.gz FQHGFGQYIYFIRM-UHFFFAOYSA-N 0 0 320.732 3.899 50 5 DHBARN CCOc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000000441474 563615193 /nfs/dbraw/zinc/61/51/93/563615193.db2.gz KMPKWOCDSIJWSZ-UHFFFAOYSA-N 0 0 300.314 3.554 50 5 DHBARN O=[N+]([O-])c1ccc(-c2noc(CCCc3ccccc3)n2)cc1 ZINC000000458408 563615605 /nfs/dbraw/zinc/61/56/05/563615605.db2.gz AGMQQPFBYAJUQR-UHFFFAOYSA-N 0 0 309.325 3.820 50 5 DHBARN O=C1CS[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(F)cc1 ZINC000000180285 563622917 /nfs/dbraw/zinc/62/29/17/563622917.db2.gz YMAWFDKHMUOBFM-OAHLLOKOSA-N 0 0 318.329 3.513 50 5 DHBARN C[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000000476694 563624082 /nfs/dbraw/zinc/62/40/82/563624082.db2.gz MLDMJZRRPMBOLN-SNVBAGLBSA-N 0 0 304.733 3.990 50 5 DHBARN CC(C)c1nc2sc3c(ncn4cnnc34)c2c2c1CCCC2 ZINC000000507311 563657601 /nfs/dbraw/zinc/65/76/01/563657601.db2.gz WFROAOBJPBTPIS-UHFFFAOYSA-N 0 0 323.425 3.889 50 5 DHBARN CC(C)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000858472 563772271 /nfs/dbraw/zinc/77/22/71/563772271.db2.gz WNFHEGJXXRKRIO-UHFFFAOYSA-N 0 0 314.341 3.736 50 5 DHBARN Cc1cc(C(=O)N(C)Cc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000025253964 563786866 /nfs/dbraw/zinc/78/68/66/563786866.db2.gz SWFWCTMDKTZFLS-UHFFFAOYSA-N 0 0 304.371 3.545 50 5 DHBARN C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000025371134 563787608 /nfs/dbraw/zinc/78/76/08/563787608.db2.gz GSNFIXGQRKHNNM-VIFPVBQESA-N 0 0 322.162 3.925 50 5 DHBARN Cc1nc(Cl)cc(Oc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000052834914 563809822 /nfs/dbraw/zinc/80/98/22/563809822.db2.gz IKBYHSJYJBJNFW-UHFFFAOYSA-N 0 0 300.101 3.792 50 5 DHBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCCSc2ccccc21 ZINC000012764370 563826278 /nfs/dbraw/zinc/82/62/78/563826278.db2.gz OTFODKNRLSNOND-UHFFFAOYSA-N 0 0 314.366 3.737 50 5 DHBARN Cc1cccc(Cl)c1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000085295988 563835151 /nfs/dbraw/zinc/83/51/51/563835151.db2.gz IOGWVJKIDMAOSC-UHFFFAOYSA-N 0 0 304.733 3.738 50 5 DHBARN CCOc1cccc2c1O[C@@H](c1ccc(F)cc1)C([N+](=O)[O-])=C2 ZINC000000103620 563851166 /nfs/dbraw/zinc/85/11/66/563851166.db2.gz BFZXDHIUPNWOMT-INIZCTEOSA-N 0 0 315.300 3.976 50 5 in-vitro DHBARN O=[N+]([O-])c1c(Br)cccc1N1CCCC(F)(F)C1 ZINC000169725356 563896024 /nfs/dbraw/zinc/89/60/24/563896024.db2.gz PHLVDPWMGXZFFR-UHFFFAOYSA-N 0 0 321.121 3.593 50 5 DHBARN O=C(Nc1ccc(F)cc1F)Nc1cc([N+](=O)[O-])ccc1F ZINC000006936850 563899819 /nfs/dbraw/zinc/89/98/19/563899819.db2.gz WUFCBWXFJIRQSY-UHFFFAOYSA-N 0 0 311.219 3.656 50 5 DHBARN CCC(=O)N1N=C(c2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000170618994 563908618 /nfs/dbraw/zinc/90/86/18/563908618.db2.gz RZSHNDZOLPDEBE-KRWDZBQOSA-N 0 0 323.352 3.683 50 5 DHBARN O=[N+]([O-])c1c(N2CCC[C@]3(CC=CCC3)C2)nc2sccn21 ZINC000170626880 563908818 /nfs/dbraw/zinc/90/88/18/563908818.db2.gz DTJIYBDNSFQYBV-OAHLLOKOSA-N 0 0 318.402 3.631 50 5 DHBARN Cc1nc(-c2ccc(OCc3csc([N+](=O)[O-])c3)cc2)no1 ZINC000054454291 563914149 /nfs/dbraw/zinc/91/41/49/563914149.db2.gz UFWDDVAHPCUTDK-UHFFFAOYSA-N 0 0 317.326 3.594 50 5 DHBARN O=[N+]([O-])c1ccc(Br)cc1OCc1ccccc1 ZINC000116587003 563928468 /nfs/dbraw/zinc/92/84/68/563928468.db2.gz ISIBNKKIJOEHIW-UHFFFAOYSA-N 0 0 308.131 3.936 50 5 DHBARN CC(C)(C)SCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000012854325 563928946 /nfs/dbraw/zinc/92/89/46/563928946.db2.gz PLBCXIQIXCACES-UHFFFAOYSA-N 0 0 316.810 3.510 50 5 DHBARN COC(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000013135245 563929328 /nfs/dbraw/zinc/92/93/28/563929328.db2.gz WXFINIMRTKNKOI-UHFFFAOYSA-N 0 0 320.732 3.647 50 5 DHBARN C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000002635740 563939931 /nfs/dbraw/zinc/93/99/31/563939931.db2.gz NIXHWESOPMIYDY-LBPRGKRZSA-N 0 0 316.382 3.564 50 5 DHBARN Cc1nn([C@@H](C)C(=O)c2cccc(Cl)c2)c(C)c1[N+](=O)[O-] ZINC000002661215 563940183 /nfs/dbraw/zinc/94/01/83/563940183.db2.gz ILVFMZWRIRBOCO-JTQLQIEISA-N 0 0 307.737 3.505 50 5 DHBARN Cc1nn(C(=O)C2CC2)c(C)c1Sc1ccccc1[N+](=O)[O-] ZINC000002685872 563940446 /nfs/dbraw/zinc/94/04/46/563940446.db2.gz HBHFTFYMVWTQBE-UHFFFAOYSA-N 0 0 317.370 3.610 50 5 DHBARN O=C(Oc1ccccc1[N+](=O)[O-])c1ccccc1Br ZINC000002820378 563940890 /nfs/dbraw/zinc/94/08/90/563940890.db2.gz WWZRCFHGINUHLI-UHFFFAOYSA-N 0 0 322.114 3.577 50 5 DHBARN Cc1cc(OCCCn2cnc3ccccc32)ccc1[N+](=O)[O-] ZINC000002868212 563941009 /nfs/dbraw/zinc/94/10/09/563941009.db2.gz VPWXTWUVCJLHJW-UHFFFAOYSA-N 0 0 311.341 3.722 50 5 DHBARN Cc1c(Br)cc([N+](=O)[O-])c(F)c1Br ZINC000216699397 563941230 /nfs/dbraw/zinc/94/12/30/563941230.db2.gz IEDUCLXNKAWOGT-UHFFFAOYSA-N 0 0 312.920 3.567 50 5 DHBARN CCOc1ccc(OCCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002985755 563941506 /nfs/dbraw/zinc/94/15/06/563941506.db2.gz OESYBKSCOOXYGH-UHFFFAOYSA-N 0 0 317.341 3.841 50 5 DHBARN Cc1ccc(NC(=O)n2ncc3ccc([N+](=O)[O-])cc32)cc1C ZINC000003091319 563942167 /nfs/dbraw/zinc/94/21/67/563942167.db2.gz OMWDELWQQRZCAU-UHFFFAOYSA-N 0 0 310.313 3.642 50 5 DHBARN COc1ccc([C@H](C[N+](=O)[O-])c2c(C)[nH]c3ccccc32)cc1 ZINC000003165963 563942536 /nfs/dbraw/zinc/94/25/36/563942536.db2.gz DXJRRGIMNHCHCK-INIZCTEOSA-N 0 0 310.353 3.894 50 5 DHBARN CCOc1ccc(C(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000003515411 563944059 /nfs/dbraw/zinc/94/40/59/563944059.db2.gz VGTAJRQENTUMOJ-LBPRGKRZSA-N 0 0 315.325 3.644 50 5 DHBARN O=[N+]([O-])c1ccccc1OCc1cc(Cl)c2c(c1)OCCO2 ZINC000008190631 563947206 /nfs/dbraw/zinc/94/72/06/563947206.db2.gz RCWGIHZBEJYFPC-UHFFFAOYSA-N 0 0 321.716 3.598 50 5 DHBARN Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000008562374 563949200 /nfs/dbraw/zinc/94/92/00/563949200.db2.gz RPANRYAVGYJZQH-CYBMUJFWSA-N 0 0 314.341 3.618 50 5 DHBARN CCn1c2ccccc2c(NCc2ccccc2)c([N+](=O)[O-])c1=O ZINC000008743292 563950424 /nfs/dbraw/zinc/95/04/24/563950424.db2.gz FNRPQJFPDRRRMJ-UHFFFAOYSA-N 0 0 323.352 3.542 50 5 DHBARN CO[C@H](C)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000071862888 563959373 /nfs/dbraw/zinc/95/93/73/563959373.db2.gz IBUSDTKMCKWRLO-SNVBAGLBSA-N 0 0 318.304 3.694 50 5 DHBARN Cc1ccc2[nH]c(Sc3ccc([N+](=O)[O-])cc3C=O)nc2c1 ZINC000013572928 568420047 /nfs/dbraw/zinc/42/00/47/568420047.db2.gz PZTPTQAENRTPMH-UHFFFAOYSA-N 0 0 313.338 3.743 50 5 DHBARN O=[N+]([O-])c1cc(Br)c(Cl)cc1Br ZINC000307167573 1013655828 /nfs/dbraw/zinc/65/58/28/1013655828.db2.gz SANAAYIBGNVNRO-UHFFFAOYSA-N 0 0 315.348 3.773 50 5 DHBARN O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C\c1ccc(Cl)s1 ZINC000097015578 1015295943 /nfs/dbraw/zinc/29/59/43/1015295943.db2.gz FSCKOIDSEBNDSW-UXBLZVDNSA-N 0 0 306.730 3.802 50 5 DHBARN C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(OC(F)F)cc1 ZINC000044724807 1023507702 /nfs/dbraw/zinc/50/77/02/1023507702.db2.gz JBSJPGYERSKHOR-VIFPVBQESA-N 0 0 309.272 3.764 50 5 DHBARN CCOC(=O)CCCCCCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002580317 1024569584 /nfs/dbraw/zinc/56/95/84/1024569584.db2.gz JPLUOJMTINSTSU-UHFFFAOYSA-N 0 0 307.346 3.681 50 5 DHBARN O=C(Oc1ccc2c(c1)CCC2)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000084490325 1035329627 /nfs/dbraw/zinc/32/96/27/1035329627.db2.gz OJOBTVNBSZMHJN-UHFFFAOYSA-N 0 0 322.320 3.784 50 5 DHBARN Cc1cccc(N2C(=O)CS[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000000179932 1038469867 /nfs/dbraw/zinc/46/98/67/1038469867.db2.gz JVSWGXKNIMFQLR-INIZCTEOSA-N 0 0 314.366 3.682 50 5 DHBARN Cc1cc(N2CCC[C@@H]2c2nc3ccccc3[nH]2)ncc1[N+](=O)[O-] ZINC000095411532 185357544 /nfs/dbraw/zinc/35/75/44/185357544.db2.gz DYLXEEFPAGPVIF-CQSZACIVSA-N 0 0 323.356 3.516 50 5 DHBARN Cc1[nH]c2ccccc2c1[C@@H](C[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000000038209 180674716 /nfs/dbraw/zinc/67/47/16/180674716.db2.gz PQXYLOPWOYKWEP-KRWDZBQOSA-N 0 0 323.396 3.951 50 5 DHBARN COc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000000103127 180693935 /nfs/dbraw/zinc/69/39/35/180693935.db2.gz BYTQUSRTIXNKCG-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN COc1ccc(-c2nc(-c3cccc(C)c3)no2)cc1[N+](=O)[O-] ZINC000000199784 180723056 /nfs/dbraw/zinc/72/30/56/180723056.db2.gz MXAZGRGHNGFOTN-UHFFFAOYSA-N 0 0 311.297 3.629 50 5 DHBARN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000000304998 180753490 /nfs/dbraw/zinc/75/34/90/180753490.db2.gz YJUMQVFYBYPVDP-SNVBAGLBSA-N 0 0 304.733 3.739 50 5 DHBARN C[C@@H](Oc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000000337749 180761217 /nfs/dbraw/zinc/76/12/17/180761217.db2.gz UTMGXOZRAGBIMI-SNVBAGLBSA-N 0 0 320.732 3.654 50 5 DHBARN COC(=O)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000000317995 180758579 /nfs/dbraw/zinc/75/85/79/180758579.db2.gz PJRCKQDQVKEMLR-UHFFFAOYSA-N 0 0 307.689 3.827 50 5 DHBARN O=C1CS[C@H](c2ccccc2[N+](=O)[O-])N1c1ccc(F)cc1 ZINC000000423807 180785011 /nfs/dbraw/zinc/78/50/11/180785011.db2.gz ZIYPDWXAZMOCCU-OAHLLOKOSA-N 0 0 318.329 3.513 50 5 DHBARN CCC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000000612657 180828266 /nfs/dbraw/zinc/82/82/66/180828266.db2.gz QHNCEZUXGPHPKB-KRWDZBQOSA-N 0 0 323.352 3.683 50 5 DHBARN O=[N+]([O-])/C=C/c1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000001384860 180857770 /nfs/dbraw/zinc/85/77/70/180857770.db2.gz CHWRAOYRHOVALA-AATRIKPKSA-N 0 0 305.746 3.964 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(N(C)C)cc1 ZINC000002173687 180914083 /nfs/dbraw/zinc/91/40/83/180914083.db2.gz JOWFCKJHMMMXPI-UHFFFAOYSA-N 0 0 314.345 3.613 50 5 DHBARN O=C(NCc1cccc(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000003352036 181010672 /nfs/dbraw/zinc/01/06/72/181010672.db2.gz OQBGGBGAOYXUDK-UHFFFAOYSA-N 0 0 324.258 3.544 50 5 DHBARN Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000003524181 181030026 /nfs/dbraw/zinc/03/00/26/181030026.db2.gz KVYKZOIBYUNRJQ-INIZCTEOSA-N 0 0 310.353 3.711 50 5 DHBARN Cc1cc(C)c(C(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1C ZINC000003587872 181038012 /nfs/dbraw/zinc/03/80/12/181038012.db2.gz YTUPDLVEEHXBNP-UHFFFAOYSA-N 0 0 317.316 3.921 50 5 DHBARN O=[N+]([O-])c1c(NCc2ccccc2Cl)nc2sccn21 ZINC000004024235 181063494 /nfs/dbraw/zinc/06/34/94/181063494.db2.gz ODVNKHLXCGEEGS-UHFFFAOYSA-N 0 0 308.750 3.570 50 5 DHBARN Cc1ccc(Nc2ccc3nonc3c2[N+](=O)[O-])cc1Cl ZINC000004131786 181077410 /nfs/dbraw/zinc/07/74/10/181077410.db2.gz OENOCPALKUYRPA-UHFFFAOYSA-N 0 0 304.693 3.836 50 5 DHBARN CCn1c2ccccc2c(NC2CCCCC2)c([N+](=O)[O-])c1=O ZINC000004310909 181096060 /nfs/dbraw/zinc/09/60/60/181096060.db2.gz GVSFIONYMBOJPG-UHFFFAOYSA-N 0 0 315.373 3.674 50 5 DHBARN COc1ccc(NC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004528855 181120347 /nfs/dbraw/zinc/12/03/47/181120347.db2.gz SDHUJHXSBGFHKB-VAWYXSNFSA-N 0 0 312.325 3.645 50 5 DHBARN CC(C)COc1cccc(C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000004544114 181122646 /nfs/dbraw/zinc/12/26/46/181122646.db2.gz WQCLMNJQGXYLJB-UHFFFAOYSA-N 0 0 314.341 3.882 50 5 DHBARN C[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000004680582 181136303 /nfs/dbraw/zinc/13/63/03/181136303.db2.gz ZKBASTWKARGWAQ-RULNRJAQSA-N 0 0 310.781 3.803 50 5 DHBARN Cc1ccc([C@@H](C)c2c(C)c([N+](=O)[O-])cc(C)c2[N+](=O)[O-])cn1 ZINC000004713635 181140767 /nfs/dbraw/zinc/14/07/67/181140767.db2.gz MJPYHZZWNGRGOF-LLVKDONJSA-N 0 0 315.329 3.975 50 5 DHBARN Cc1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)c1O ZINC000004833020 181158546 /nfs/dbraw/zinc/15/85/46/181158546.db2.gz QDMGGJMAACUHSB-UHFFFAOYSA-N 0 0 321.716 3.619 50 5 DHBARN COc1cc(SC)ccc1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004841628 181161131 /nfs/dbraw/zinc/16/11/31/181161131.db2.gz YFEBFJIAFLSSCY-UHFFFAOYSA-N 0 0 318.354 3.578 50 5 DHBARN CC(C)c1onc(C(=O)Nc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000004937474 181175861 /nfs/dbraw/zinc/17/58/61/181175861.db2.gz NROFSGBVUGMDDH-UHFFFAOYSA-N 0 0 309.709 3.612 50 5 DHBARN CCN(CC)c1ccc(C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000004983422 181184360 /nfs/dbraw/zinc/18/43/60/181184360.db2.gz AUPYAOOYKRDXPQ-UHFFFAOYSA-N 0 0 313.357 3.693 50 5 DHBARN Cc1ccc(NC(=S)Nc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000004999064 181188123 /nfs/dbraw/zinc/18/81/23/181188123.db2.gz MWVMSVNLCVSGBP-UHFFFAOYSA-N 0 0 323.324 3.990 50 5 DHBARN CC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000005041265 181195353 /nfs/dbraw/zinc/19/53/53/181195353.db2.gz AUAGGTWELRMUOM-UHFFFAOYSA-N 0 0 317.276 3.581 50 5 DHBARN CC(=O)c1cccc(NC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000005063058 181199002 /nfs/dbraw/zinc/19/90/02/181199002.db2.gz LNQXTAMELOOULQ-UHFFFAOYSA-N 0 0 313.313 3.750 50 5 DHBARN CCCOc1cccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000005094329 181203299 /nfs/dbraw/zinc/20/32/99/181203299.db2.gz IDQNURREQDMLLL-UHFFFAOYSA-N 0 0 314.341 3.944 50 5 DHBARN C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1 ZINC000005109046 181204583 /nfs/dbraw/zinc/20/45/83/181204583.db2.gz VIYORKWHAYVPKB-SNVBAGLBSA-N 0 0 320.732 3.654 50 5 DHBARN O=C1c2ccccc2CC[C@@]12N=NC[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000005253030 181222582 /nfs/dbraw/zinc/22/25/82/181222582.db2.gz ACCOTTALHJCHOV-WMZOPIPTSA-N 0 0 321.336 3.712 50 5 DHBARN CCCCc1ccccc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC000005615485 181264144 /nfs/dbraw/zinc/26/41/44/181264144.db2.gz QZPVTKWLGHTAFV-UHFFFAOYSA-N 0 0 322.752 3.566 50 5 DHBARN CC(C)c1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cn2)cc1 ZINC000005911733 181295936 /nfs/dbraw/zinc/29/59/36/181295936.db2.gz GJADCLFANRERAD-BJMVGYQFSA-N 0 0 311.341 3.765 50 5 DHBARN CCCc1cc(=O)[nH]c(C(=Cc2ccc([N+](=O)[O-])s2)CC)n1 ZINC000193615979 201087491 /nfs/dbraw/zinc/08/74/91/201087491.db2.gz ROKHVQWCGZSFIC-CSKARUKUSA-N 0 0 319.386 3.643 50 5 DHBARN O=C(Nc1ccc2c(=O)c3cccc(F)c3oc2c1)c1ccco1 ZINC000006660855 181366660 /nfs/dbraw/zinc/36/66/60/181366660.db2.gz KVUDENCDJOKDQP-UHFFFAOYSA-N 0 0 323.279 3.931 50 5 DHBARN Cc1cnc(OCc2ncc(-c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000096451061 193652441 /nfs/dbraw/zinc/65/24/41/193652441.db2.gz RHHYRMXXIHXFBL-UHFFFAOYSA-N 0 0 311.297 3.532 50 5 DHBARN Cc1cc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000008161448 181531466 /nfs/dbraw/zinc/53/14/66/181531466.db2.gz GHVXWUMOWITNQR-UKRRQHHQSA-N 0 0 302.374 3.556 50 5 DHBARN CCCOc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000010213876 181660979 /nfs/dbraw/zinc/66/09/79/181660979.db2.gz NBCVEKIMBKMUHR-UHFFFAOYSA-N 0 0 314.341 3.944 50 5 DHBARN Cc1ccc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2n1 ZINC000015835310 182019929 /nfs/dbraw/zinc/01/99/29/182019929.db2.gz ASIKXZQKCMXXJR-UHFFFAOYSA-N 0 0 307.309 3.704 50 5 DHBARN CCc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000017053146 182071487 /nfs/dbraw/zinc/07/14/87/182071487.db2.gz LWVUQTLXGKCFRY-UHFFFAOYSA-N 0 0 315.329 3.810 50 5 DHBARN Cc1ccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000018182831 182097481 /nfs/dbraw/zinc/09/74/81/182097481.db2.gz RVYBCRVQJXNRPI-HIFRSBDPSA-N 0 0 302.374 3.698 50 5 DHBARN Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)c(Br)c1 ZINC000020077702 182185623 /nfs/dbraw/zinc/18/56/23/182185623.db2.gz ISSBWHHBJLLAJB-UHFFFAOYSA-N 0 0 309.119 3.853 50 5 DHBARN Cc1noc(-c2ccc(NC3CCCCC3)c([N+](=O)[O-])c2)n1 ZINC000020897924 182252263 /nfs/dbraw/zinc/25/22/63/182252263.db2.gz DZBQLSCABFLUTO-UHFFFAOYSA-N 0 0 302.334 3.698 50 5 DHBARN CCNc1ccc(-c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000020897586 182252340 /nfs/dbraw/zinc/25/23/40/182252340.db2.gz KSRHSSOPCHFBMG-UHFFFAOYSA-N 0 0 310.313 3.744 50 5 DHBARN COc1ccc(NC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000023392139 182359823 /nfs/dbraw/zinc/35/98/23/182359823.db2.gz TUQDLFUJQWYPGT-NTZNESFSSA-N 0 0 321.377 3.550 50 5 DHBARN CC(C)C(=O)Nc1cccc(CNc2ccccc2[N+](=O)[O-])c1 ZINC000024211283 182376635 /nfs/dbraw/zinc/37/66/35/182376635.db2.gz NSGCJNIBCZWRDS-UHFFFAOYSA-N 0 0 313.357 3.801 50 5 DHBARN O=C(NCc1cccs1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000024049725 182373361 /nfs/dbraw/zinc/37/33/61/182373361.db2.gz LSHLXQXAKQAETL-UHFFFAOYSA-N 0 0 318.379 3.801 50 5 DHBARN Cc1cc(C(=O)N(C)Cc2cccc([N+](=O)[O-])c2)sc1C ZINC000025255543 182405608 /nfs/dbraw/zinc/40/56/08/182405608.db2.gz AIZGCAVYPVIEGK-UHFFFAOYSA-N 0 0 304.371 3.545 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(F)c(F)c1 ZINC000031885650 182627939 /nfs/dbraw/zinc/62/79/39/182627939.db2.gz KHPCSCWLZLOZOA-UHFFFAOYSA-N 0 0 320.295 3.753 50 5 DHBARN Cc1cccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000032902468 182676355 /nfs/dbraw/zinc/67/63/55/182676355.db2.gz WNFDDYQURWRSDJ-HIFRSBDPSA-N 0 0 302.374 3.698 50 5 DHBARN CC(C)=C[C@H]1[C@@H](C(=O)Oc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000057983593 184064145 /nfs/dbraw/zinc/06/41/45/184064145.db2.gz NGZJXHYURJYHGJ-FZMZJTMJSA-N 0 0 307.321 3.878 50 5 DHBARN CC(C)(C)C[C@H]1CCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000060863838 184157450 /nfs/dbraw/zinc/15/74/50/184157450.db2.gz VAAKDHSTFGJNPW-SNVBAGLBSA-N 0 0 308.407 3.709 50 5 DHBARN O=C(/C=C/c1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004902766 256517678 /nfs/dbraw/zinc/51/76/78/256517678.db2.gz BPKFRLNHVIQVII-RUDMXATFSA-N 0 0 302.717 3.900 50 5 DHBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)Oc1ccc(F)cc1 ZINC000004771272 257231119 /nfs/dbraw/zinc/23/11/19/257231119.db2.gz NVVSIIRVMCYSID-UHFFFAOYSA-N 0 0 310.668 3.998 50 5 DHBARN COc1ccc(C(=O)Nc2ccc(SC)cc2)cc1[N+](=O)[O-] ZINC000016832589 257211034 /nfs/dbraw/zinc/21/10/34/257211034.db2.gz OWGUYIRLMJNRFW-UHFFFAOYSA-N 0 0 318.354 3.578 50 5 DHBARN C[C@H](Nc1ncc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000048552513 563699103 /nfs/dbraw/zinc/69/91/03/563699103.db2.gz AQJCSYPKGYPFOF-VIFPVBQESA-N 0 0 322.162 3.925 50 5 DHBARN CCOc1ccc(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000008185915 563344739 /nfs/dbraw/zinc/34/47/39/563344739.db2.gz GXLDCRLOZRXDMS-UHFFFAOYSA-N 0 0 320.732 3.899 50 5 DHBARN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000033191697 563500850 /nfs/dbraw/zinc/50/08/50/563500850.db2.gz NFPKGBAEWLLMIT-SECBINFHSA-N 0 0 324.789 3.730 50 5 DHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1 ZINC000000063820 563517338 /nfs/dbraw/zinc/51/73/38/563517338.db2.gz WNVAWJJIKAHJKR-RUDMXATFSA-N 0 0 302.717 3.900 50 5 DHBARN CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000000103099 563543233 /nfs/dbraw/zinc/54/32/33/563543233.db2.gz LJIUCHQZZCCHDI-UHFFFAOYSA-N 0 0 320.732 3.899 50 5 DHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Cl)cc1 ZINC000000146695 563572792 /nfs/dbraw/zinc/57/27/92/563572792.db2.gz ZMGMWXHXKJWBNM-RUDMXATFSA-N 0 0 303.701 3.867 50 5 DHBARN Cc1cccc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)c1 ZINC000000176759 563575306 /nfs/dbraw/zinc/57/53/06/563575306.db2.gz FTOYTDWHVAOCMI-DHDCSXOGSA-N 0 0 322.320 3.556 50 5 DHBARN Cc1nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc2s1 ZINC000000193794 563577534 /nfs/dbraw/zinc/57/75/34/563577534.db2.gz QDXYYZIEIYQOPR-UHFFFAOYSA-N 0 0 313.338 3.765 50 5 DHBARN CC(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000258985 563582495 /nfs/dbraw/zinc/58/24/95/563582495.db2.gz VKCPTVUQONTBOW-UHFFFAOYSA-N 0 0 318.716 3.703 50 5 DHBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCCc2ccccc21 ZINC000000269517 563583501 /nfs/dbraw/zinc/58/35/01/563583501.db2.gz CCJFYETXNKLZJH-FMIVXFBMSA-N 0 0 308.337 3.587 50 5 DHBARN CCN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000288687 563584805 /nfs/dbraw/zinc/58/48/05/563584805.db2.gz MSXDUUDBWQJCRT-UHFFFAOYSA-N 0 0 318.760 3.911 50 5 DHBARN CCOc1ccc(CNc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000000355386 563589345 /nfs/dbraw/zinc/58/93/45/563589345.db2.gz BAMAECSJJLGKEP-UHFFFAOYSA-N 0 0 302.330 3.614 50 5 DHBARN CCOc1ccccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000000376230 563591430 /nfs/dbraw/zinc/59/14/30/563591430.db2.gz JINDTBMDNAQQQJ-UHFFFAOYSA-N 0 0 320.732 3.899 50 5 DHBARN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1[N+](=O)[O-] ZINC000000380117 563591455 /nfs/dbraw/zinc/59/14/55/563591455.db2.gz FXWDIQGUFHPIDD-UHFFFAOYSA-N 0 0 300.145 3.763 50 5 DHBARN Cc1cc(NC(=O)C2CCCC2)nc2c3ccccc3oc(=O)c12 ZINC000100612644 563597006 /nfs/dbraw/zinc/59/70/06/563597006.db2.gz UONLIUUPUHVDLZ-UHFFFAOYSA-N 0 0 322.364 3.778 50 5 DHBARN O=c1c2cc3ccccc3cc2[n-]c(=S)n1Cc1ccco1 ZINC000000425065 563611934 /nfs/dbraw/zinc/61/19/34/563611934.db2.gz WDSQZWOIHQDKLH-UHFFFAOYSA-N 0 0 308.362 3.854 50 5 DHBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1C(F)(F)F ZINC000000444303 563615012 /nfs/dbraw/zinc/61/50/12/563615012.db2.gz QXYQKVZPUCIQKT-UHFFFAOYSA-N 0 0 310.231 3.866 50 5 DHBARN COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000000449725 563615210 /nfs/dbraw/zinc/61/52/10/563615210.db2.gz RZYHOCXXLHTGBI-UHFFFAOYSA-N 0 0 314.341 3.979 50 5 DHBARN O=C(Cc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000000451277 563615482 /nfs/dbraw/zinc/61/54/82/563615482.db2.gz RUDKDMQODZTUDU-UHFFFAOYSA-N 0 0 308.696 3.569 50 5 DHBARN Cc1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000000474470 563624134 /nfs/dbraw/zinc/62/41/34/563624134.db2.gz BXKKJDJUVOWDNQ-WEVVVXLNSA-N 0 0 300.289 3.694 50 5 DHBARN Cn1cnc([N+](=O)[O-])c1Sc1c(Cl)cccc1Cl ZINC000000481403 563637089 /nfs/dbraw/zinc/63/70/89/563637089.db2.gz JENITLUKRDCUBO-UHFFFAOYSA-N 0 0 304.158 3.786 50 5 DHBARN CCOc1ccc(NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000000611774 563698574 /nfs/dbraw/zinc/69/85/74/563698574.db2.gz RVWSCCFPLSYLEI-UHFFFAOYSA-N 0 0 315.329 3.946 50 5 DHBARN COc1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000000614981 563698655 /nfs/dbraw/zinc/69/86/55/563698655.db2.gz ONTCEXDQPALIFM-UHFFFAOYSA-N 0 0 308.378 3.548 50 5 DHBARN Cc1c2oc3c(nc4n[nH]cc4c3-c3cccnc3)c2ccc1O ZINC000218380828 563716184 /nfs/dbraw/zinc/71/61/84/563716184.db2.gz UNWFMDKYTVQLSG-UHFFFAOYSA-N 0 0 316.320 3.933 50 5 DHBARN CN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(Cl)ccc1F ZINC000024948043 563721525 /nfs/dbraw/zinc/72/15/25/563721525.db2.gz FIOZPJDCGZOYMB-UHFFFAOYSA-N 0 0 322.723 3.660 50 5 DHBARN CCc1ccccc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000025056178 563780983 /nfs/dbraw/zinc/78/09/83/563780983.db2.gz SRQDQYWURBVPIC-UHFFFAOYSA-N 0 0 313.357 3.598 50 5 DHBARN O=C(Nc1nc2c(s1)CCCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000012918310 563853697 /nfs/dbraw/zinc/85/36/97/563853697.db2.gz HLTALARSNIDVFX-UHFFFAOYSA-N 0 0 317.370 3.573 50 5 DHBARN COc1nc2ccccc2nc1/C=C/c1cccc([N+](=O)[O-])c1 ZINC000075260221 563862360 /nfs/dbraw/zinc/86/23/60/563862360.db2.gz DMUQJZOHZLPEFU-MDZDMXLPSA-N 0 0 307.309 3.717 50 5 DHBARN COC(=O)c1cccc(COc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000001728962 563866561 /nfs/dbraw/zinc/86/65/61/563866561.db2.gz IWCXQSCSIYCLEJ-UHFFFAOYSA-N 0 0 321.716 3.614 50 5 DHBARN COc1ccc(C(=O)N[C@@H](C)CCCC(C)C)cc1[N+](=O)[O-] ZINC000001795892 563878809 /nfs/dbraw/zinc/87/88/09/563878809.db2.gz VGIJODHQJCGSNL-LBPRGKRZSA-N 0 0 308.378 3.548 50 5 DHBARN O=C(OCC=C=CSc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000001862879 563882829 /nfs/dbraw/zinc/88/28/29/563882829.db2.gz FNRCYCIZLJBCCP-UHFFFAOYSA-N 0 0 317.322 3.806 50 5 DHBARN O=[N+]([O-])c1ccc(Br)cc1OCCC(F)(F)F ZINC000169725424 563895939 /nfs/dbraw/zinc/89/59/39/563895939.db2.gz ORVVWEUPQGWPNK-UHFFFAOYSA-N 0 0 314.057 3.689 50 5 DHBARN Cc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1[N+](=O)[O-] ZINC000036394913 563898246 /nfs/dbraw/zinc/89/82/46/563898246.db2.gz MMZOHKZXUNMKHE-UHFFFAOYSA-N 0 0 313.288 3.776 50 5 DHBARN O=C(Nc1nc2ccc(F)cc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000006926276 563899700 /nfs/dbraw/zinc/89/97/00/563899700.db2.gz FFAKXRKYHBZSMP-UHFFFAOYSA-N 0 0 317.301 3.596 50 5 DHBARN CCNc1nnc(S[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000007248862 563904898 /nfs/dbraw/zinc/90/48/98/563904898.db2.gz LAPDUXLXKMXKGX-MRVPVSSYSA-N 0 0 310.404 3.731 50 5 DHBARN C[C@H]1CCCC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000095941198 563931954 /nfs/dbraw/zinc/93/19/54/563931954.db2.gz WPKBABQIMJWCCD-BLLLJJGKSA-N 0 0 315.373 3.918 50 5 DHBARN C[C@H](CCC(=O)c1ccc([N+](=O)[O-])cc1)C1OCC(C)(C)CO1 ZINC000095932581 563932046 /nfs/dbraw/zinc/93/20/46/563932046.db2.gz KTWWZEMOHMZRHF-GFCCVEGCSA-N 0 0 321.373 3.593 50 5 DHBARN CCn1ccnc1[C@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000281158330 563932169 /nfs/dbraw/zinc/93/21/69/563932169.db2.gz PMNGHCYDSBWIFY-MRXNPFEDSA-N 0 0 314.389 3.538 50 5 DHBARN COc1cc(N[C@@H](c2nccs2)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000096489922 563937373 /nfs/dbraw/zinc/93/73/73/563937373.db2.gz YNBDENVJNBICLW-CYBMUJFWSA-N 0 0 323.349 3.762 50 5 DHBARN O=C(c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000002566802 563939188 /nfs/dbraw/zinc/93/91/88/563939188.db2.gz LMPHOJDMACTBKY-UHFFFAOYSA-N 0 0 306.115 3.588 50 5 DHBARN Cc1ccc([N+](=O)[O-])c(C)c1OCC(=O)c1ccc(F)cc1 ZINC000031458547 563944617 /nfs/dbraw/zinc/94/46/17/563944617.db2.gz OPTGZIILIIZQAJ-UHFFFAOYSA-N 0 0 303.289 3.612 50 5 DHBARN Cn1cnc([N+](=O)[O-])c1Oc1ccc(C2SCCS2)cc1 ZINC000008318749 563947784 /nfs/dbraw/zinc/94/77/84/563947784.db2.gz LMIWZUPXZFUZHG-UHFFFAOYSA-N 0 0 323.399 3.599 50 5 DHBARN O=C(N[C@H](c1ccc(F)cc1)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000069808542 563954813 /nfs/dbraw/zinc/95/48/13/563954813.db2.gz CHZINFHOCIRSRJ-INIZCTEOSA-N 0 0 314.316 3.615 50 5 DHBARN Cc1conc1CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000952994567 1032682608 /nfs/dbraw/zinc/68/26/08/1032682608.db2.gz XRFHYQTVKYBKQD-UHFFFAOYSA-N 0 0 301.224 3.522 50 5 DHBARN CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC000027818624 1017899816 /nfs/dbraw/zinc/89/98/16/1017899816.db2.gz CSYIUSJZUXEWET-ZPHJMFTNSA-N 0 0 322.364 3.754 50 5 DHBARN C[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000675029887 1018228825 /nfs/dbraw/zinc/22/88/25/1018228825.db2.gz RDPLGSVCBSGDOW-WDEREUQCSA-N 0 0 304.371 3.637 50 5 DHBARN Cn1ncc2c1nc1c3ccc(O)cc3oc1c2-c1cccnc1 ZINC000252482077 1018983985 /nfs/dbraw/zinc/98/39/85/1018983985.db2.gz CXLUYNIUIGNEMT-UHFFFAOYSA-N 0 0 316.320 3.635 50 5 DHBARN Cc1nn(C)c(C)c1/C=C\c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC000033466801 1021439412 /nfs/dbraw/zinc/43/94/12/1021439412.db2.gz UFQSGICNULFCEX-CLFYSBASSA-N 0 0 308.341 3.664 50 5 DHBARN O=C(CS/C=C\c1ccc([N+](=O)[O-])o1)Nc1ccccc1 ZINC000789983029 1033388254 /nfs/dbraw/zinc/38/82/54/1033388254.db2.gz RASUWCBREPIBBN-HJWRWDBZSA-N 0 0 304.327 3.530 50 5 DHBARN Cc1ccc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)cn1 ZINC000095403080 185354821 /nfs/dbraw/zinc/35/48/21/185354821.db2.gz DFEMQSLAXJKLTD-UHFFFAOYSA-N 0 0 309.272 3.512 50 5 DHBARN Cc1cc(NC(=O)N(C)[C@H](C)c2ccccn2)ccc1[N+](=O)[O-] ZINC000097163022 185418095 /nfs/dbraw/zinc/41/80/95/185418095.db2.gz GGFOINJNNNLBNO-GFCCVEGCSA-N 0 0 314.345 3.523 50 5 DHBARN CC(=O)c1ccc(N[C@H](C)c2ccncc2F)c([N+](=O)[O-])c1 ZINC000253398677 186306170 /nfs/dbraw/zinc/30/61/70/186306170.db2.gz ZQLHBSFMCQOPQG-SECBINFHSA-N 0 0 303.293 3.505 50 5 DHBARN Cc1cc(Cl)ccc1OC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000000122562 180699757 /nfs/dbraw/zinc/69/97/57/180699757.db2.gz RYCWTYWXEQJLHP-UHFFFAOYSA-N 0 0 321.716 3.541 50 5 DHBARN O=[N+]([O-])c1ccc(Sc2cccc3cccnc32)c2nonc21 ZINC000000198505 180722686 /nfs/dbraw/zinc/72/26/86/180722686.db2.gz CQJQSSLHFOYHBO-UHFFFAOYSA-N 0 0 324.321 3.830 50 5 DHBARN CC[C@H](Oc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000000442318 180792053 /nfs/dbraw/zinc/79/20/53/180792053.db2.gz LHSRHIJJVTXHEJ-INIZCTEOSA-N 0 0 314.341 3.699 50 5 DHBARN Cc1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1C[C@H]1CO1 ZINC000000478389 180803509 /nfs/dbraw/zinc/80/35/09/180803509.db2.gz QNHHBTACXJSMEP-HNNXBMFYSA-N 0 0 308.337 3.924 50 5 DHBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000000483179 180804842 /nfs/dbraw/zinc/80/48/42/180804842.db2.gz LWVCEMYGUGVIMB-QWHCGFSZSA-N 0 0 316.744 3.990 50 5 DHBARN O=[N+]([O-])c1ccc(-c2noc(-c3ccc(Cl)cc3)n2)cc1 ZINC000001037976 180842320 /nfs/dbraw/zinc/84/23/20/180842320.db2.gz QWQZIHBEVWXTEL-UHFFFAOYSA-N 0 0 301.689 3.965 50 5 DHBARN Cc1cc(-c2nc3cc(Cl)ccc3c(=O)o2)ccc1[N+](=O)[O-] ZINC000001504538 180870154 /nfs/dbraw/zinc/87/01/54/180870154.db2.gz XRAIRTZFRMQROG-UHFFFAOYSA-N 0 0 316.700 3.725 50 5 DHBARN Cc1cc(C(=O)NCCCCc2ccccc2)ccc1[N+](=O)[O-] ZINC000002774396 180955243 /nfs/dbraw/zinc/95/52/43/180955243.db2.gz CNDMHIUSRJVEGK-UHFFFAOYSA-N 0 0 312.369 3.656 50 5 DHBARN C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000003446953 181020677 /nfs/dbraw/zinc/02/06/77/181020677.db2.gz MIUPYKDARQOVAT-VIFPVBQESA-N 0 0 322.723 3.878 50 5 DHBARN CCCCOc1cc([N+](=O)[O-])c(OCCCC)cc1[N+](=O)[O-] ZINC000003894597 181053849 /nfs/dbraw/zinc/05/38/49/181053849.db2.gz QWVSNHRZJQSBTR-UHFFFAOYSA-N 0 0 312.322 3.861 50 5 DHBARN CCOc1ccc(NC(=O)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000004031528 181065073 /nfs/dbraw/zinc/06/50/73/181065073.db2.gz YDCPYZWZKJMYDY-UHFFFAOYSA-N 0 0 320.732 3.899 50 5 DHBARN Cc1ccc(OCCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004041776 181066042 /nfs/dbraw/zinc/06/60/42/181066042.db2.gz VBOOGPRVSBAIAK-UHFFFAOYSA-N 0 0 314.341 3.701 50 5 DHBARN CC(C)c1ccccc1OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000003957234 181059402 /nfs/dbraw/zinc/05/94/02/181059402.db2.gz WBWQQJDWMUCLEY-UHFFFAOYSA-N 0 0 314.341 3.736 50 5 DHBARN O=c1c2ccccc2[nH]c2cc3c(cc21)[nH]c1ccccc1c3=O ZINC000003984116 181059454 /nfs/dbraw/zinc/05/94/54/181059454.db2.gz NRCMAYZCPIVABH-UHFFFAOYSA-N 0 0 312.328 3.676 50 5 endogenous,in-man DHBARN COc1ccc(OC)c(CNc2ccc([N+](=O)[O-])cc2C)c1 ZINC000004309391 181095610 /nfs/dbraw/zinc/09/56/10/181095610.db2.gz QITGCGNZEURVBM-UHFFFAOYSA-N 0 0 302.330 3.533 50 5 DHBARN CCOC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 ZINC000004294146 181093491 /nfs/dbraw/zinc/09/34/91/181093491.db2.gz BDJANNYFODFNPN-RMKNXTFCSA-N 0 0 301.298 3.740 50 5 DHBARN COc1cc2nc3cc([N+](=O)[O-])ccc3c(Cl)c2cc1OC ZINC000004577120 181127001 /nfs/dbraw/zinc/12/70/01/181127001.db2.gz JTUBTXLHWQGBAT-UHFFFAOYSA-N 0 0 318.716 3.967 50 5 DHBARN O=C(/C=C/c1cccs1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004652294 181132189 /nfs/dbraw/zinc/13/21/89/181132189.db2.gz ZRPGGCPXJFXSHZ-GQCTYLIASA-N 0 0 308.746 3.962 50 5 DHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ccccc1 ZINC000004696155 181138661 /nfs/dbraw/zinc/13/86/61/181138661.db2.gz VSUHOUSPQXGNOH-UHFFFAOYSA-N 0 0 302.355 3.634 50 5 DHBARN C[C@@H](C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000004891743 181168678 /nfs/dbraw/zinc/16/86/78/181168678.db2.gz UXXBDDADGXCQDJ-SNVBAGLBSA-N 0 0 304.733 3.990 50 5 DHBARN CC(=O)c1cccc(Nc2c3ccccc3oc(=O)c2[N+](=O)[O-])c1 ZINC000004995635 181187283 /nfs/dbraw/zinc/18/72/83/181187283.db2.gz IOTLMOXGZYUBGH-UHFFFAOYSA-N 0 0 324.292 3.647 50 5 DHBARN Cc1ccc(SCC(=O)Nc2ccccc2[N+](=O)[O-])cc1C ZINC000005017033 181190846 /nfs/dbraw/zinc/19/08/46/181190846.db2.gz GAVYFGYEIGJUEV-UHFFFAOYSA-N 0 0 316.382 3.942 50 5 DHBARN CCCNc1ccc(C(=O)Nc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000005068689 181200531 /nfs/dbraw/zinc/20/05/31/181200531.db2.gz QTJXHRZIRUHBSC-UHFFFAOYSA-N 0 0 313.357 3.977 50 5 DHBARN Cc1ccc(OCC(=O)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000005177433 181213782 /nfs/dbraw/zinc/21/37/82/181213782.db2.gz MAZXSOSXUIUSNL-UHFFFAOYSA-N 0 0 321.716 3.541 50 5 DHBARN O=C(N[C@@H]1CCSc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000005176787 181213908 /nfs/dbraw/zinc/21/39/08/181213908.db2.gz YJLZUMYQMBOXEM-CQSZACIVSA-N 0 0 314.366 3.562 50 5 DHBARN O=[N+]([O-])c1ccc(-c2ccc(SCc3cccnc3)nn2)cc1 ZINC000005381046 181237217 /nfs/dbraw/zinc/23/72/17/181237217.db2.gz QELSSMJNJKHQMD-UHFFFAOYSA-N 0 0 324.365 3.739 50 5 DHBARN C[C@H](Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC000005529254 181253762 /nfs/dbraw/zinc/25/37/62/181253762.db2.gz SXSXPVZYSFAPQG-LBPRGKRZSA-N 0 0 323.352 3.620 50 5 DHBARN COc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000005527029 181253983 /nfs/dbraw/zinc/25/39/83/181253983.db2.gz ZBANEACWYPRNHC-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN O=C(Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-])c1cccnc1 ZINC000005604495 181263030 /nfs/dbraw/zinc/26/30/30/181263030.db2.gz XOQGZKOJNDUOME-UHFFFAOYSA-N 0 0 319.320 3.909 50 5 DHBARN Cc1cccc(C)c1OCCOC(=O)c1ccc([N+](=O)[O-])s1 ZINC000006084407 181311471 /nfs/dbraw/zinc/31/14/71/181311471.db2.gz KDEFPAIGNFCQOF-UHFFFAOYSA-N 0 0 321.354 3.509 50 5 DHBARN CC[C@@H](NC(=O)c1cccc(OC)c1[N+](=O)[O-])c1cccs1 ZINC000194105127 201178457 /nfs/dbraw/zinc/17/84/57/201178457.db2.gz TYTIZVPMDCCNMU-LLVKDONJSA-N 0 0 320.370 3.546 50 5 DHBARN C[C@@H]1CCC[C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000007518775 181471550 /nfs/dbraw/zinc/47/15/50/181471550.db2.gz KOFNBXFPVFPOHV-JTNHKYCSSA-N 0 0 307.419 3.706 50 5 DHBARN Cc1cc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000009112005 181601385 /nfs/dbraw/zinc/60/13/85/181601385.db2.gz HHSLSEQLWQJNEK-CJNGLKHVSA-N 0 0 302.374 3.698 50 5 DHBARN Cn1ccnc1[C@H](Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000012579781 181778642 /nfs/dbraw/zinc/77/86/42/181778642.db2.gz PWSPGKJRRVXCBX-MRXNPFEDSA-N 0 0 308.341 3.530 50 5 DHBARN C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000012926538 181812155 /nfs/dbraw/zinc/81/21/55/181812155.db2.gz FPKINHCKGIYMHK-NSHDSACASA-N 0 0 318.760 3.668 50 5 DHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1ccco1 ZINC000015837901 182021191 /nfs/dbraw/zinc/02/11/91/182021191.db2.gz HLNLWIACTJMMCG-ZDUSSCGKSA-N 0 0 301.302 3.557 50 5 DHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1c2ccccc2C[C@H]1C ZINC000017032276 182069869 /nfs/dbraw/zinc/06/98/69/182069869.db2.gz SYDYJXWGUBIGPZ-GFCCVEGCSA-N 0 0 311.341 3.886 50 5 DHBARN O=C(NCc1cccs1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000017032374 182070148 /nfs/dbraw/zinc/07/01/48/182070148.db2.gz ONXCZCHAKGMVLD-UHFFFAOYSA-N 0 0 311.750 3.631 50 5 DHBARN COc1ccc(C)cc1NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000017053128 182071742 /nfs/dbraw/zinc/07/17/42/182071742.db2.gz LQFHVDRFPJRODZ-UHFFFAOYSA-N 0 0 315.329 3.864 50 5 DHBARN CCCCNc1ccc(-c2nc(C(C)C)no2)cc1[N+](=O)[O-] ZINC000020898128 182252093 /nfs/dbraw/zinc/25/20/93/182252093.db2.gz VBCFDXXMDLICJK-UHFFFAOYSA-N 0 0 304.350 3.980 50 5 DHBARN CCCCC[C@H](C)NC(=O)c1ccc(NCC)c([N+](=O)[O-])c1 ZINC000024005527 182372215 /nfs/dbraw/zinc/37/22/15/182372215.db2.gz UUSQKDXVSRYCRZ-LBPRGKRZSA-N 0 0 307.394 3.725 50 5 DHBARN CC1CCC(N(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000024757953 182390248 /nfs/dbraw/zinc/39/02/48/182390248.db2.gz ULSBDBJMASEDFX-KPKJPENVSA-N 0 0 302.374 3.645 50 5 DHBARN CCC(=O)Nc1ccccc1-c1nc2ccc([N+](=O)[O-])cc2o1 ZINC000033870956 182725143 /nfs/dbraw/zinc/72/51/43/182725143.db2.gz ZYUXGBLEBHWFSK-UHFFFAOYSA-N 0 0 311.297 3.752 50 5 DHBARN CN(Cc1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000040098692 183034739 /nfs/dbraw/zinc/03/47/39/183034739.db2.gz ZQNJZFPAADWLKE-UHFFFAOYSA-N 0 0 319.748 3.912 50 5 DHBARN CCc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)s1 ZINC000040106765 183035587 /nfs/dbraw/zinc/03/55/87/183035587.db2.gz QIVMMGOWFHVZMS-UHFFFAOYSA-N 0 0 310.400 3.519 50 5 DHBARN C[C@@H]1C[C@H]1c1ccc(CN(c2ccc([N+](=O)[O-])cn2)C2CC2)o1 ZINC000042103217 183232602 /nfs/dbraw/zinc/23/26/02/183232602.db2.gz OXSNLTORUFKFTL-IAQYHMDHSA-N 0 0 313.357 3.875 50 5 DHBARN Cc1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3F)cc2)no1 ZINC000042096843 183232657 /nfs/dbraw/zinc/23/26/57/183232657.db2.gz LZCIGJQKWYUFNO-UHFFFAOYSA-N 0 0 315.260 3.885 50 5 DHBARN CC(=O)c1ccc(N2CCC[C@H]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000054838569 183952859 /nfs/dbraw/zinc/95/28/59/183952859.db2.gz RYANIBAGGKAAFA-HNNXBMFYSA-N 0 0 302.374 3.956 50 5 DHBARN O=C(Nc1ccncc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000009594811 256524327 /nfs/dbraw/zinc/52/43/27/256524327.db2.gz MPFQJQCGTXWURU-UHFFFAOYSA-N 0 0 309.281 3.502 50 5 DHBARN O=[N+]([O-])c1cccc(NCn2c3ccccc3[nH]c2=S)c1 ZINC000005594348 256519695 /nfs/dbraw/zinc/51/96/95/256519695.db2.gz MVKQJXIHZGFRPT-UHFFFAOYSA-N 0 0 300.343 3.677 50 5 DHBARN O=[N+]([O-])c1c(F)cccc1NC[C@H](O)c1ccc(Cl)cc1 ZINC000072027362 184923727 /nfs/dbraw/zinc/92/37/27/184923727.db2.gz OJDLYNDVWKMWMO-ZDUSSCGKSA-N 0 0 310.712 3.533 50 5 DHBARN Cc1cc(N2CCc3[nH]c4ccccc4c3C2)ccc1[N+](=O)[O-] ZINC000058357874 134795058 /nfs/dbraw/zinc/79/50/58/134795058.db2.gz OESUGVLNNIBIFQ-UHFFFAOYSA-N 0 0 307.353 3.947 50 5 DHBARN COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000000474092 563624053 /nfs/dbraw/zinc/62/40/53/563624053.db2.gz GLECGFXZXIBVNT-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN COc1ccc(Cl)cc1COc1cc(F)ccc1[N+](=O)[O-] ZINC000012804182 563928968 /nfs/dbraw/zinc/92/89/68/563928968.db2.gz YQWLFPKKEYRXRB-UHFFFAOYSA-N 0 0 311.696 3.975 50 5 DHBARN Cc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c(F)c1 ZINC000069737050 563954436 /nfs/dbraw/zinc/95/44/36/563954436.db2.gz SFWQTIRNSQFQSN-UHFFFAOYSA-N 0 0 308.696 3.948 50 5 DHBARN CSc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000071184954 563469093 /nfs/dbraw/zinc/46/90/93/563469093.db2.gz FCOKRPRQSZCMCE-UHFFFAOYSA-N 0 0 323.761 3.617 50 5 DHBARN COc1cccc(CNc2ccc([N+](=O)[O-])cc2C)c1OC ZINC000004685487 563497587 /nfs/dbraw/zinc/49/75/87/563497587.db2.gz ORRWYEJVTXGNEP-UHFFFAOYSA-N 0 0 302.330 3.533 50 5 DHBARN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000033191698 563500652 /nfs/dbraw/zinc/50/06/52/563500652.db2.gz NFPKGBAEWLLMIT-VIFPVBQESA-N 0 0 324.789 3.730 50 5 DHBARN Cc1cc(NC(=O)N(C)[C@@H](C)c2ccccn2)ccc1[N+](=O)[O-] ZINC000097163021 563507305 /nfs/dbraw/zinc/50/73/05/563507305.db2.gz GGFOINJNNNLBNO-LBPRGKRZSA-N 0 0 314.345 3.523 50 5 DHBARN O=C(OCc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000000055572 563515341 /nfs/dbraw/zinc/51/53/41/563515341.db2.gz PUGMKDYKSKLASA-UHFFFAOYSA-N 0 0 314.322 3.562 50 5 DHBARN CCOc1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000000063827 563516055 /nfs/dbraw/zinc/51/60/55/563516055.db2.gz MEBAPMZAOFKITP-ZHACJKMWSA-N 0 0 312.325 3.645 50 5 DHBARN Cc1c2c(c(C)n1-c1ccc(C)c([N+](=O)[O-])c1)c(C)nnc2C ZINC000098086992 563524621 /nfs/dbraw/zinc/52/46/21/563524621.db2.gz ILOXXJZRTHIFOK-UHFFFAOYSA-N 0 0 310.357 3.871 50 5 DHBARN Cc1ccc(NC(=O)COc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000000094394 563527768 /nfs/dbraw/zinc/52/77/68/563527768.db2.gz ABYLGDAZAWNWEI-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN COc1ccc(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000103218 563543427 /nfs/dbraw/zinc/54/34/27/563543427.db2.gz XIVXTJVNCOICEO-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000000168663 563573917 /nfs/dbraw/zinc/57/39/17/563573917.db2.gz XYQVGCWCODMPCR-HNNXBMFYSA-N 0 0 318.304 3.530 50 5 DHBARN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccs1 ZINC000000175623 563574533 /nfs/dbraw/zinc/57/45/33/563574533.db2.gz FSNIXLWOQCMYJY-UHFFFAOYSA-N 0 0 305.340 3.518 50 5 DHBARN Cc1c(Cl)cccc1-n1ncnc1-c1cccc([N+](=O)[O-])c1 ZINC000000180886 563575676 /nfs/dbraw/zinc/57/56/76/563575676.db2.gz LGAIERLGDRYDTJ-UHFFFAOYSA-N 0 0 314.732 3.804 50 5 DHBARN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000000208501 563577221 /nfs/dbraw/zinc/57/72/21/563577221.db2.gz DAEHQTYJJQDOBU-UHFFFAOYSA-N 0 0 301.689 3.965 50 5 DHBARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000000244277 563580953 /nfs/dbraw/zinc/58/09/53/563580953.db2.gz UJNOYTXEORQEGS-UHFFFAOYSA-N 0 0 310.231 3.866 50 5 DHBARN O=C(Nc1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1Cl ZINC000000259065 563582407 /nfs/dbraw/zinc/58/24/07/563582407.db2.gz ARTCUTQGUVJVLD-UHFFFAOYSA-N 0 0 312.659 3.779 50 5 DHBARN COC(=O)c1ccc(SCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000000258320 563583142 /nfs/dbraw/zinc/58/31/42/563583142.db2.gz MPRLYYSABARXQF-UHFFFAOYSA-N 0 0 321.329 3.813 50 5 DHBARN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000000272614 563584031 /nfs/dbraw/zinc/58/40/31/563584031.db2.gz LMDDILQNCFBHSM-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN C[C@H](Oc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000000337748 563588752 /nfs/dbraw/zinc/58/87/52/563588752.db2.gz UTMGXOZRAGBIMI-JTQLQIEISA-N 0 0 320.732 3.654 50 5 DHBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCc2ccccc21 ZINC000033477537 563592223 /nfs/dbraw/zinc/59/22/23/563592223.db2.gz MDMFRPNFIXSSMB-ADYSOMBNSA-N 0 0 322.364 3.802 50 5 DHBARN CC(=O)Nc1ccc(Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000008120222 563596664 /nfs/dbraw/zinc/59/66/64/563596664.db2.gz ODIQJHCWEHEPLN-UHFFFAOYSA-N 0 0 305.721 3.950 50 5 DHBARN COc1ccc(-c2noc(-c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 ZINC000000447482 563614659 /nfs/dbraw/zinc/61/46/59/563614659.db2.gz LCQPFTPVYOFEAX-UHFFFAOYSA-N 0 0 311.297 3.629 50 5 DHBARN Cc1cccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000000449645 563614700 /nfs/dbraw/zinc/61/47/00/563614700.db2.gz YPKKMETVEVQWIB-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN C[C@@H](C(=O)NCCC1=CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000000472129 563624930 /nfs/dbraw/zinc/62/49/30/563624930.db2.gz YGMPHWPJWNDBBB-CYBMUJFWSA-N 0 0 302.374 3.705 50 5 DHBARN O=C(Nc1ccccc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000002485523 563624948 /nfs/dbraw/zinc/62/49/48/563624948.db2.gz FRFOXBSTPQRRJL-UHFFFAOYSA-N 0 0 321.130 3.610 50 5 DHBARN C[C@@H](Nc1nccc(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC000044976882 563687527 /nfs/dbraw/zinc/68/75/27/563687527.db2.gz VERODZVCLWUBMP-MRVPVSSYSA-N 0 0 312.251 3.577 50 5 DHBARN CC[C@@H](C)c1ccc(NC(=O)c2c([N+](=O)[O-])cnn2CC)cc1 ZINC000000812288 563719798 /nfs/dbraw/zinc/71/97/98/563719798.db2.gz ZWVAZLLSAFCBGW-LLVKDONJSA-N 0 0 316.361 3.577 50 5 DHBARN O=C(COc1cccc([N+](=O)[O-])c1)OC1CCCCCCC1 ZINC000084374557 563826554 /nfs/dbraw/zinc/82/65/54/563826554.db2.gz KMMFLLQESYCMHK-UHFFFAOYSA-N 0 0 307.346 3.630 50 5 DHBARN CN(C)c1ccc([C@H](C[N+](=O)[O-])Sc2ccccc2)cc1 ZINC000001448934 563832211 /nfs/dbraw/zinc/83/22/11/563832211.db2.gz MRVQLQCMYYWLEU-INIZCTEOSA-N 0 0 302.399 3.863 50 5 DHBARN Nc1ccc(OCc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000204913110 563852133 /nfs/dbraw/zinc/85/21/33/563852133.db2.gz VCYNIFPFDJMURS-UHFFFAOYSA-N 0 0 323.146 3.519 50 5 DHBARN O=[N+]([O-])c1ccc([C@H]2N=NC(c3ccc(F)cc3)=CN2O)cc1 ZINC000075253337 563861710 /nfs/dbraw/zinc/86/17/10/563861710.db2.gz DBLFIBWGNXIMEY-HNNXBMFYSA-N 0 0 314.276 3.888 50 5 DHBARN COc1c(NC(=O)Nc2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000001732585 563870608 /nfs/dbraw/zinc/87/06/08/563870608.db2.gz JTFMQBYUUQXRHO-UHFFFAOYSA-N 0 0 321.720 3.901 50 5 DHBARN C[C@@H]1CCC[C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000241213345 563918287 /nfs/dbraw/zinc/91/82/87/563918287.db2.gz KOFNBXFPVFPOHV-UHIISALHSA-N 0 0 307.419 3.706 50 5 DHBARN Cc1ccc(C(=O)N(C)[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000012794881 563928941 /nfs/dbraw/zinc/92/89/41/563928941.db2.gz APICDOFLPMHFDD-INIZCTEOSA-N 0 0 310.353 3.663 50 5 DHBARN O=C(NC1CCCCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000013137382 563929349 /nfs/dbraw/zinc/92/93/49/563929349.db2.gz CAJNIEDIKOCPPT-UHFFFAOYSA-N 0 0 317.389 3.622 50 5 DHBARN O=C(c1ccncc1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000096412020 563936834 /nfs/dbraw/zinc/93/68/34/563936834.db2.gz BDVNXZQDIVXOAY-UHFFFAOYSA-N 0 0 311.341 3.579 50 5 DHBARN Cc1cccc(C(=O)OC[C@@H]2CCCC(F)(F)C2)c1[N+](=O)[O-] ZINC000225731973 563938489 /nfs/dbraw/zinc/93/84/89/563938489.db2.gz MGJFKZSLFSEDHS-LLVKDONJSA-N 0 0 313.300 3.886 50 5 DHBARN CC(C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000002696780 563940435 /nfs/dbraw/zinc/94/04/35/563940435.db2.gz LDHMTRWEUUGDNK-UHFFFAOYSA-N 0 0 305.359 3.703 50 5 DHBARN O=[N+]([O-])c1ccc(NCc2cn3ccccc3n2)c(Cl)c1 ZINC000009319519 563955177 /nfs/dbraw/zinc/95/51/77/563955177.db2.gz LCYGNPRCDOWNRE-UHFFFAOYSA-N 0 0 302.721 3.508 50 5 DHBARN CC(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2)cc1[N+](=O)[O-] ZINC000009470662 563956219 /nfs/dbraw/zinc/95/62/19/563956219.db2.gz MOIGYJVHEWSTDD-INIZCTEOSA-N 0 0 311.341 3.572 50 5 DHBARN CCCOc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000010213873 563958404 /nfs/dbraw/zinc/95/84/04/563958404.db2.gz VYGRUSPXRDPOIV-UHFFFAOYSA-N 0 0 300.314 3.636 50 5 DHBARN O=[N+]([O-])c1cccc([C@@H]2NCc3ccccc3-n3cccc32)c1 ZINC000055211536 1019481326 /nfs/dbraw/zinc/48/13/26/1019481326.db2.gz ROSHMIXVPMKGBW-SFHVURJKSA-N 0 0 305.337 3.578 50 5 DHBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])NCc1ccc(Cl)cc1 ZINC000000464155 1019924182 /nfs/dbraw/zinc/92/41/82/1019924182.db2.gz TZRYYISWWRHTPM-JXMROGBWSA-N 0 0 316.744 3.578 50 5 DHBARN O=[N+]([O-])c1ccc(Nc2cccc(C(F)(F)F)c2)c2nonc21 ZINC000003879048 1021488882 /nfs/dbraw/zinc/48/88/82/1021488882.db2.gz NOTBIKCWMFOMFI-UHFFFAOYSA-N 0 0 324.218 3.893 50 5 DHBARN Cc1cccc(C)c1OCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000000587181 1022427581 /nfs/dbraw/zinc/42/75/81/1022427581.db2.gz ZDESXMLFKVWKSN-UHFFFAOYSA-N 0 0 314.341 3.538 50 5 DHBARN CN(Cc1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])cn1 ZINC000048976680 1023831842 /nfs/dbraw/zinc/83/18/42/1023831842.db2.gz PKILIJCIQBWCGC-UHFFFAOYSA-N 0 0 312.156 3.933 50 5 DHBARN Cc1ccc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000000469480 1024505816 /nfs/dbraw/zinc/50/58/16/1024505816.db2.gz QSDAUOFPBCJGMJ-UHFFFAOYSA-N 0 0 316.382 3.942 50 5 DHBARN O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C/c1ccc(Cl)s1 ZINC000012972890 1029946316 /nfs/dbraw/zinc/94/63/16/1029946316.db2.gz FSCKOIDSEBNDSW-POHAHGRESA-N 0 0 306.730 3.802 50 5 DHBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCC(F)(F)F ZINC000079385068 185167796 /nfs/dbraw/zinc/16/77/96/185167796.db2.gz BGBILLWQCKNZFX-UHFFFAOYSA-N 0 0 324.686 3.549 50 5 DHBARN Cc1ncsc1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000084066542 192399735 /nfs/dbraw/zinc/39/97/35/192399735.db2.gz AWGSEWBYLKWSGF-UHFFFAOYSA-N 0 0 315.301 3.573 50 5 DHBARN Cc1ccc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000000141817 180706734 /nfs/dbraw/zinc/70/67/34/180706734.db2.gz SCZFTPKVHUWDBW-UHFFFAOYSA-N 0 0 302.355 3.634 50 5 DHBARN CCOc1ccccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000000149022 180708928 /nfs/dbraw/zinc/70/89/28/180708928.db2.gz JHECBQVLZUJPCD-UHFFFAOYSA-N 0 0 301.298 3.521 50 5 DHBARN CN(Cc1ccccc1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000300519 180752415 /nfs/dbraw/zinc/75/24/15/180752415.db2.gz KAQVSHXFXLHYHB-UHFFFAOYSA-N 0 0 304.733 3.520 50 5 DHBARN O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000000438847 180791266 /nfs/dbraw/zinc/79/12/66/180791266.db2.gz COBZPCIJYVLZEU-RMKNXTFCSA-N 0 0 302.717 3.900 50 5 DHBARN O=C1CS[C@H](c2ccccc2[N+](=O)[O-])N1c1ccccc1F ZINC000000423999 180785000 /nfs/dbraw/zinc/78/50/00/180785000.db2.gz YDBHHRSNPPAEJB-OAHLLOKOSA-N 0 0 318.329 3.513 50 5 DHBARN CCOc1ccccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000000471456 180801412 /nfs/dbraw/zinc/80/14/12/180801412.db2.gz VUASLPMOPLTWLP-LBPRGKRZSA-N 0 0 314.341 3.736 50 5 DHBARN C[C@@H]1Cc2ccccc2N1C(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000000611814 180828594 /nfs/dbraw/zinc/82/85/94/180828594.db2.gz NCKNJUSEUIUOKV-LLVKDONJSA-N 0 0 313.382 3.743 50 5 DHBARN Nc1c(-c2cccc(Cl)c2)cnn1-c1cccc([N+](=O)[O-])c1 ZINC000002508434 180928585 /nfs/dbraw/zinc/92/85/85/180928585.db2.gz QGIUUMVDZYYMJV-UHFFFAOYSA-N 0 0 314.732 3.683 50 5 DHBARN O=C1OC(/C=C/c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1ccccc1 ZINC000003185759 180989760 /nfs/dbraw/zinc/98/97/60/180989760.db2.gz QFZWSPMUAVAFGU-USFYMYEYSA-N 0 0 320.304 3.604 50 5 DHBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@H]1CCCc2ccccc21 ZINC000003295812 181001361 /nfs/dbraw/zinc/00/13/61/181001361.db2.gz JTDTZNMXFSDVHW-UJGDBWEASA-N 0 0 322.364 3.802 50 5 DHBARN O=C1OCC(c2ccc(Cl)cc2)=C1c1ccc([N+](=O)[O-])cc1 ZINC000003300919 181002250 /nfs/dbraw/zinc/00/22/50/181002250.db2.gz HWBTWEHDCNKTMF-UHFFFAOYSA-N 0 0 315.712 3.716 50 5 DHBARN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(F)c1 ZINC000003443574 181020095 /nfs/dbraw/zinc/02/00/95/181020095.db2.gz BJRUXRPOFZJGFR-UHFFFAOYSA-N 0 0 324.308 3.604 50 5 DHBARN CCOc1ccc(C(C)=O)cc1COc1ccc([N+](=O)[O-])cc1 ZINC000003510895 181028168 /nfs/dbraw/zinc/02/81/68/181028168.db2.gz CFSMOLTZUFIGSQ-UHFFFAOYSA-N 0 0 315.325 3.775 50 5 DHBARN CSc1ccc(C(=O)Nc2ccccc2F)cc1[N+](=O)[O-] ZINC000003553803 181033850 /nfs/dbraw/zinc/03/38/50/181033850.db2.gz QFDUAFBGCKBXIS-UHFFFAOYSA-N 0 0 306.318 3.708 50 5 DHBARN C[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000003614612 181041560 /nfs/dbraw/zinc/04/15/60/181041560.db2.gz UWVCTIFJTDUGPR-SBKJXLNCSA-N 0 0 314.316 3.625 50 5 DHBARN C[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000003614605 181041592 /nfs/dbraw/zinc/04/15/92/181041592.db2.gz UWVCTIFJTDUGPR-DJTWPOEFSA-N 0 0 314.316 3.625 50 5 DHBARN CN(C)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1 ZINC000004017746 181063224 /nfs/dbraw/zinc/06/32/24/181063224.db2.gz TXLGXKGOAQGFGU-UHFFFAOYSA-N 0 0 308.341 3.718 50 5 DHBARN COC(=O)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000003913571 181058003 /nfs/dbraw/zinc/05/80/03/181058003.db2.gz WBAXNQAKKAGETP-UHFFFAOYSA-N 0 0 307.302 3.672 50 5 DHBARN COc1ccc(Cn2cnc3c2cc(C)c(C)c3[N+](=O)[O-])cc1 ZINC000004052388 181067254 /nfs/dbraw/zinc/06/72/54/181067254.db2.gz VZESJLNODSAQEW-UHFFFAOYSA-N 0 0 311.341 3.618 50 5 DHBARN COc1cccc(Cn2cnc3c2cc(C)c(C)c3[N+](=O)[O-])c1 ZINC000004052657 181067629 /nfs/dbraw/zinc/06/76/29/181067629.db2.gz RAKOGPPHGCLVOM-UHFFFAOYSA-N 0 0 311.341 3.618 50 5 DHBARN COc1ccc2c(c1)[nH]c([N+](=O)[O-])c2Nc1cccc(OC)c1 ZINC000004177114 181081629 /nfs/dbraw/zinc/08/16/29/181081629.db2.gz YVRUSUKPRRWGAK-UHFFFAOYSA-N 0 0 313.313 3.837 50 5 DHBARN O=[N+]([O-])c1cccc(-c2ccc(SCc3cccnc3)nn2)c1 ZINC000004271852 181090645 /nfs/dbraw/zinc/09/06/45/181090645.db2.gz XUQGMGPHIVIFLM-UHFFFAOYSA-N 0 0 324.365 3.739 50 5 DHBARN CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004321611 181096957 /nfs/dbraw/zinc/09/69/57/181096957.db2.gz XEVXXTKGYIQXJK-XGWLTEMNSA-N 0 0 302.374 3.539 50 5 DHBARN Cc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])c(C)n1-c1cccnc1 ZINC000004414660 181107969 /nfs/dbraw/zinc/10/79/69/181107969.db2.gz QSCCOXQTIFUNOA-VOTSOKGWSA-N 0 0 324.340 3.864 50 5 DHBARN CC(C)(C)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O ZINC000004419487 181108785 /nfs/dbraw/zinc/10/87/85/181108785.db2.gz CSDGUCQVCJTBEZ-UHFFFAOYSA-N 0 0 324.336 3.693 50 5 DHBARN Cc1ccc(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])cc1 ZINC000004421199 181109342 /nfs/dbraw/zinc/10/93/42/181109342.db2.gz AGPUXFSYXCJHCD-UHFFFAOYSA-N 0 0 304.693 3.836 50 5 DHBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(Cl)(Cl)Cl ZINC000004508227 181117440 /nfs/dbraw/zinc/11/74/40/181117440.db2.gz HSRGNIYQWWEYKG-UHFFFAOYSA-N 0 0 317.943 3.557 50 5 DHBARN COc1cc2[nH]c(=O)c3sc4ccccc4c3c2cc1OC ZINC000004631833 181130705 /nfs/dbraw/zinc/13/07/05/181130705.db2.gz CXHFPDLZJAAGIS-UHFFFAOYSA-N 0 0 311.362 3.913 50 5 DHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc2ccccc2o1 ZINC000004689106 181137137 /nfs/dbraw/zinc/13/71/37/181137137.db2.gz OIUNACZWUGFSOG-UHFFFAOYSA-N 0 0 312.281 3.602 50 5 DHBARN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000004833384 181159565 /nfs/dbraw/zinc/15/95/65/181159565.db2.gz DTAIZIFPGHFSSA-CYBMUJFWSA-N 0 0 314.341 3.618 50 5 DHBARN CCOc1cccc2cc(-c3ccc([N+](=O)[O-])cc3)c(=O)oc21 ZINC000004857128 181163968 /nfs/dbraw/zinc/16/39/68/181163968.db2.gz ACPZWFXITZCSCS-UHFFFAOYSA-N 0 0 311.293 3.767 50 5 DHBARN O=C(Nc1cccc([N+](=O)[O-])c1)NC12CC3CC(CC(C3)C1)C2 ZINC000004863283 181165255 /nfs/dbraw/zinc/16/52/55/181165255.db2.gz RGGZOKYIBLLJPP-UHFFFAOYSA-N 0 0 315.373 3.685 50 5 DHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1Cl ZINC000004990055 181185818 /nfs/dbraw/zinc/18/58/18/181185818.db2.gz ATYUVVMXQNIFNL-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN Cc1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1F ZINC000005041604 181195187 /nfs/dbraw/zinc/19/51/87/181195187.db2.gz RGGWLGFWEZCKNV-UHFFFAOYSA-N 0 0 305.334 3.851 50 5 DHBARN COc1cccc(NC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000005060939 181199112 /nfs/dbraw/zinc/19/91/12/181199112.db2.gz BUUFVSFXNGOCHG-UHFFFAOYSA-N 0 0 301.302 3.556 50 5 DHBARN O=[N+]([O-])c1cc(-c2nc3cc(Cl)ccc3o2)cc([N+](=O)[O-])c1 ZINC000005186202 181215234 /nfs/dbraw/zinc/21/52/34/181215234.db2.gz DBISTXILKVAYSS-UHFFFAOYSA-N 0 0 319.660 3.965 50 5 DHBARN O=[N+]([O-])c1ccc(NCn2c3ccccc3oc2=S)cc1 ZINC000005280517 181225897 /nfs/dbraw/zinc/22/58/97/181225897.db2.gz SNFKTFRUUAEDKY-UHFFFAOYSA-N 0 0 301.327 3.942 50 5 DHBARN O=C(N[C@H]1CCSc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000005425418 181242515 /nfs/dbraw/zinc/24/25/15/181242515.db2.gz KZFWFXRHLPMBCD-AWEZNQCLSA-N 0 0 314.366 3.562 50 5 DHBARN Cc1cccc(C(=O)Nc2nc3ccccc3s2)c1[N+](=O)[O-] ZINC000005635514 181266878 /nfs/dbraw/zinc/26/68/78/181266878.db2.gz OCVJXZHHFRQSMI-UHFFFAOYSA-N 0 0 313.338 3.765 50 5 DHBARN COc1ccc(CNc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000005833103 181287837 /nfs/dbraw/zinc/28/78/37/181287837.db2.gz GSLNDSITMRJWKM-UHFFFAOYSA-N 0 0 322.748 3.878 50 5 DHBARN Cc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c(C)n1C1CC1 ZINC000007575235 181475458 /nfs/dbraw/zinc/47/54/58/181475458.db2.gz WQFQSZHQDZWTFX-UHFFFAOYSA-N 0 0 314.341 3.705 50 5 DHBARN CCCNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000009502631 181625467 /nfs/dbraw/zinc/62/54/67/181625467.db2.gz RCGBMMKINGKMLY-UHFFFAOYSA-N 0 0 308.721 3.648 50 5 DHBARN Cc1cc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000012901059 181809570 /nfs/dbraw/zinc/80/95/70/181809570.db2.gz SGFBVNCKAFYKQV-SQWLQELKSA-N 0 0 316.401 3.992 50 5 DHBARN CC1CCC(N(C)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000012999800 181820457 /nfs/dbraw/zinc/82/04/57/181820457.db2.gz MWUZATQJZAZESR-UHFFFAOYSA-N 0 0 310.781 3.899 50 5 DHBARN O=C(Nc1ccccc1F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000014493985 181955958 /nfs/dbraw/zinc/95/59/58/181955958.db2.gz JIJYUFKPMQXSPL-UHFFFAOYSA-N 0 0 315.304 3.561 50 5 DHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(C)c(C)c1 ZINC000017053152 182071261 /nfs/dbraw/zinc/07/12/61/182071261.db2.gz LQLWIIQLBMKNTI-UHFFFAOYSA-N 0 0 315.329 3.864 50 5 DHBARN CCc1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000017053124 182071518 /nfs/dbraw/zinc/07/15/18/182071518.db2.gz LBVICXYITCRWKZ-UHFFFAOYSA-N 0 0 315.329 3.810 50 5 DHBARN Cc1ccc(CN(C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000018182317 182096972 /nfs/dbraw/zinc/09/69/72/182096972.db2.gz FTZBYPQZSZIHRP-UHFFFAOYSA-N 0 0 313.357 3.876 50 5 DHBARN O=c1ccc([N+](=O)[O-])cn1Cc1ccccc1Oc1ccccc1 ZINC000021730313 182287097 /nfs/dbraw/zinc/28/70/97/182287097.db2.gz VFKBASTXRHTTGB-UHFFFAOYSA-N 0 0 322.320 3.597 50 5 DHBARN C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000022806264 182335875 /nfs/dbraw/zinc/33/58/75/182335875.db2.gz WYCLADRGVCLADY-SECBINFHSA-N 0 0 322.162 3.925 50 5 DHBARN Cc1nc(CCNc2ccc([N+](=O)[O-])c3cccnc23)cs1 ZINC000024201759 182376650 /nfs/dbraw/zinc/37/66/50/182376650.db2.gz FKWCOMJMXGLNTI-UHFFFAOYSA-N 0 0 314.370 3.563 50 5 DHBARN Cc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000024421342 182380298 /nfs/dbraw/zinc/38/02/98/182380298.db2.gz WLDJMAOJHROAQF-UHFFFAOYSA-N 0 0 305.717 3.818 50 5 DHBARN Cc1ccc(F)cc1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000033291163 182701188 /nfs/dbraw/zinc/70/11/88/182701188.db2.gz FKRQBEONGGSIGU-VURMDHGXSA-N 0 0 300.289 3.694 50 5 DHBARN Cc1ccc([C@H](C)NC(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000040099063 183034922 /nfs/dbraw/zinc/03/49/22/183034922.db2.gz NSTXGTGIFXWTSK-NSHDSACASA-N 0 0 303.318 3.687 50 5 DHBARN Cc1ccccc1CCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000043347907 183356666 /nfs/dbraw/zinc/35/66/66/183356666.db2.gz ZSCPEZHDXRYUFG-UHFFFAOYSA-N 0 0 313.357 3.576 50 5 DHBARN Cc1ncc(CN(C)c2ccc3ncccc3c2[N+](=O)[O-])s1 ZINC000052447478 183860444 /nfs/dbraw/zinc/86/04/44/183860444.db2.gz FZWOFMBSOCPUMA-UHFFFAOYSA-N 0 0 314.370 3.544 50 5 DHBARN O=[N+]([O-])c1ccc(Oc2ccccc2OCC(F)(F)F)nc1 ZINC000057839655 184056339 /nfs/dbraw/zinc/05/63/39/184056339.db2.gz ZNNXKMXONHCXRO-UHFFFAOYSA-N 0 0 314.219 3.723 50 5 DHBARN COc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000060525271 184151602 /nfs/dbraw/zinc/15/16/02/184151602.db2.gz NLTZUBPXLCILRA-UHFFFAOYSA-N 0 0 324.695 3.648 50 5 DHBARN O=C(C1CCC1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000063449642 184281779 /nfs/dbraw/zinc/28/17/79/184281779.db2.gz ASAKSIKXZZZTBR-UHFFFAOYSA-N 0 0 308.765 3.791 50 5 DHBARN C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000065603987 184371362 /nfs/dbraw/zinc/37/13/62/184371362.db2.gz QZIVCTMCCVQBAW-JOYOIKCWSA-N 0 0 311.769 3.948 50 5 DHBARN O=[N+]([O-])c1ncccc1Oc1nc(C(F)F)nc2ccccc21 ZINC000065502227 184355975 /nfs/dbraw/zinc/35/59/75/184355975.db2.gz NQLBXZBJVUSJMN-UHFFFAOYSA-N 0 0 318.239 3.663 50 5 DHBARN C[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccn1 ZINC000065519118 184358589 /nfs/dbraw/zinc/35/85/89/184358589.db2.gz OBWKXLMRGAYSJV-SECBINFHSA-N 0 0 300.343 3.773 50 5 DHBARN C[C@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccn1 ZINC000065519114 184358774 /nfs/dbraw/zinc/35/87/74/184358774.db2.gz OBWKXLMRGAYSJV-VIFPVBQESA-N 0 0 300.343 3.773 50 5 DHBARN COC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000000259836 563582599 /nfs/dbraw/zinc/58/25/99/563582599.db2.gz ARNLUTFWHBZERP-UHFFFAOYSA-N 0 0 303.339 3.841 50 5 DHBARN Cc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C)n1 ZINC000121554131 563869506 /nfs/dbraw/zinc/86/95/06/563869506.db2.gz NCQGVCKIZCZLOI-UHFFFAOYSA-N 0 0 305.721 3.512 50 5 DHBARN O=C(Nc1ccc(Cl)cn1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000064890 563515977 /nfs/dbraw/zinc/51/59/77/563515977.db2.gz MUYWSJSVVYUOHB-UHFFFAOYSA-N 0 0 312.112 3.549 50 5 DHBARN COc1cccc2c1O[C@@H](c1ccc(F)cc1)C([N+](=O)[O-])=C2 ZINC000000021981 563211097 /nfs/dbraw/zinc/21/10/97/563211097.db2.gz FGJUZEYOBVZJGV-HNNXBMFYSA-N 0 0 301.273 3.586 50 5 DHBARN Cc1nn2c3cc(N4CCCC4)ccc3nc2c2ccccc12 ZINC000000558806 563266534 /nfs/dbraw/zinc/26/65/34/563266534.db2.gz CFEUHTVTYBCRST-UHFFFAOYSA-N 0 0 302.381 3.944 50 5 DHBARN Cc1noc(-c2ccccc2)c1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000032624568 563373187 /nfs/dbraw/zinc/37/31/87/563373187.db2.gz ZYCSXUWAVAQREB-UHFFFAOYSA-N 0 0 323.308 3.811 50 5 DHBARN O=[N+]([O-])c1ccc(-c2nc3ccccc3c(N3CCCC3)n2)cc1 ZINC000000072028 563520620 /nfs/dbraw/zinc/52/06/20/563520620.db2.gz HGIOPNRUZUDXTQ-UHFFFAOYSA-N 0 0 320.352 3.805 50 5 DHBARN COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000000103396 563543399 /nfs/dbraw/zinc/54/33/99/563543399.db2.gz XMKZZNHITZUPSA-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN CCc1cc([N+](=O)[O-])c(NC[C@@](C)(O)c2ccco2)cc1Cl ZINC000225821176 563570901 /nfs/dbraw/zinc/57/09/01/563570901.db2.gz HBATVTICCWUNDL-OAHLLOKOSA-N 0 0 324.764 3.723 50 5 DHBARN C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000000123338 563571288 /nfs/dbraw/zinc/57/12/88/563571288.db2.gz GHGCCJAKGPIRJG-JTQLQIEISA-N 0 0 304.733 3.739 50 5 DHBARN Cc1cc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)ccc1F ZINC000000171584 563574530 /nfs/dbraw/zinc/57/45/30/563574530.db2.gz LHPJNHRZXQJJRX-UHFFFAOYSA-N 0 0 313.288 3.776 50 5 DHBARN CCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000000288760 563584297 /nfs/dbraw/zinc/58/42/97/563584297.db2.gz UZLZRDUUMBWFEM-UHFFFAOYSA-N 0 0 304.733 3.915 50 5 DHBARN Cc1ccc2cccc(OC(=O)c3cccc([N+](=O)[O-])c3C)c2n1 ZINC000000297330 563584924 /nfs/dbraw/zinc/58/49/24/563584924.db2.gz CMLBVASJIZQJPF-UHFFFAOYSA-N 0 0 322.320 3.979 50 5 DHBARN CCOc1ccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000000303206 563587069 /nfs/dbraw/zinc/58/70/69/563587069.db2.gz KYZDDOWEHKCHKT-UHFFFAOYSA-N 0 0 311.297 3.711 50 5 DHBARN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NN=C(Cc2ccccc2)S1 ZINC000005018354 563595718 /nfs/dbraw/zinc/59/57/18/563595718.db2.gz MAVGAGYQGJMUDU-MRXNPFEDSA-N 0 0 313.382 3.660 50 5 DHBARN O=C(Nc1ncccc1Cl)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000179884879 563623671 /nfs/dbraw/zinc/62/36/71/563623671.db2.gz KSQHQEHVDJICEP-UHFFFAOYSA-N 0 0 312.112 3.549 50 5 DHBARN Cc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000000557769 563669358 /nfs/dbraw/zinc/66/93/58/563669358.db2.gz QZMLAINWTGLNMA-UHFFFAOYSA-N 0 0 322.267 3.757 50 5 DHBARN C[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000000547333 563669529 /nfs/dbraw/zinc/66/95/29/563669529.db2.gz QBGNZTMXHZUPOZ-LLVKDONJSA-N 0 0 318.760 3.609 50 5 DHBARN CN(C)/C=C/c1c([N+](=O)[O-])c2ccc(O)cc2n1-c1ccccc1 ZINC000049580307 563701480 /nfs/dbraw/zinc/70/14/80/563701480.db2.gz FHSALPVEMLZVON-ZHACJKMWSA-N 0 0 323.352 3.777 50 5 DHBARN O=[N+]([O-])c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1 ZINC000012396594 563770317 /nfs/dbraw/zinc/77/03/17/563770317.db2.gz TXIRTURNILBTHX-UHFFFAOYSA-N 0 0 311.263 3.678 50 5 DHBARN O=C(CCCNc1ccccc1[N+](=O)[O-])Nc1cccc(F)c1 ZINC000012555267 563801346 /nfs/dbraw/zinc/80/13/46/563801346.db2.gz BVAUMNNXQCBYGP-UHFFFAOYSA-N 0 0 317.320 3.565 50 5 DHBARN O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000012623704 563807672 /nfs/dbraw/zinc/80/76/72/563807672.db2.gz OGZXCQPRPNVZNW-UHFFFAOYSA-N 0 0 324.258 3.544 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccccc1 ZINC000002774116 563811710 /nfs/dbraw/zinc/81/17/10/563811710.db2.gz DQRQJZJMFRXLQW-UHFFFAOYSA-N 0 0 302.355 3.634 50 5 DHBARN O=c1c2c(F)c(F)c(F)c(F)c2sc2nc3ccccc3n21 ZINC000001424429 563822911 /nfs/dbraw/zinc/82/29/11/563822911.db2.gz IIUYXSVKMWXCSD-UHFFFAOYSA-N 0 0 324.258 3.619 50 5 DHBARN Cc1nc(Sc2ccc([N+](=O)[O-])c3cnccc23)oc1C ZINC000012765593 563826612 /nfs/dbraw/zinc/82/66/12/563826612.db2.gz BKPPEMDDSQMUTI-UHFFFAOYSA-N 0 0 301.327 3.899 50 5 DHBARN CCO[C@H](C)c1noc(-c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC000170628869 563908831 /nfs/dbraw/zinc/90/88/31/563908831.db2.gz DKIQHQKMFAXIHL-MRVPVSSYSA-N 0 0 319.342 3.957 50 5 DHBARN O=[N+]([O-])c1cnc2cc(F)c(Br)cc2c1Cl ZINC000114990069 563927963 /nfs/dbraw/zinc/92/79/63/563927963.db2.gz IAWVWGGVXZPWRQ-UHFFFAOYSA-N 0 0 305.490 3.698 50 5 DHBARN Cc1cc2cc[nH]c2cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000390835158 563930811 /nfs/dbraw/zinc/93/08/11/563930811.db2.gz FMNGJSKKCPUZMV-UHFFFAOYSA-N 0 0 309.325 3.566 50 5 DHBARN Cc1csc(-c2cc3c(nc2N)oc2ccc(C)cc2c3=O)n1 ZINC000094986161 563930894 /nfs/dbraw/zinc/93/08/94/563930894.db2.gz UASMPYZCWYALIW-UHFFFAOYSA-N 0 0 323.377 3.664 50 5 DHBARN O=[N+]([O-])c1cc(CSc2ncco2)ccc1Br ZINC000225550900 563937958 /nfs/dbraw/zinc/93/79/58/563937958.db2.gz XNYNJBHEQRXGIE-UHFFFAOYSA-N 0 0 315.148 3.638 50 5 DHBARN Cc1ccc(C)c(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000055824213 563939182 /nfs/dbraw/zinc/93/91/82/563939182.db2.gz UETVAPOIKBQXJU-UHFFFAOYSA-N 0 0 324.340 3.874 50 5 DHBARN Cc1cc(C)cc(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000055832021 563939209 /nfs/dbraw/zinc/93/92/09/563939209.db2.gz JCYVJNZHXXGPNL-UHFFFAOYSA-N 0 0 324.340 3.874 50 5 DHBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccco1)C1CC1 ZINC000029269906 563941294 /nfs/dbraw/zinc/94/12/94/563941294.db2.gz AZQPPAAUIFECLF-UHFFFAOYSA-N 0 0 320.732 3.646 50 5 DHBARN CCOc1ccc(NCCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000670421871 563941299 /nfs/dbraw/zinc/94/12/99/563941299.db2.gz SXZVCRBHFOICMR-UHFFFAOYSA-N 0 0 314.341 3.678 50 5 DHBARN COc1cc(C)ccc1OCCCOc1ccc([N+](=O)[O-])cc1 ZINC000002984057 563941390 /nfs/dbraw/zinc/94/13/90/563941390.db2.gz BHNLDTSFJFZZKU-UHFFFAOYSA-N 0 0 317.341 3.760 50 5 DHBARN Cc1nc([N+](=O)[O-])c(Cc2ccccc2)n1Cc1ccccc1 ZINC000003129733 563942262 /nfs/dbraw/zinc/94/22/62/563942262.db2.gz ADFZEOWUHPVTGW-UHFFFAOYSA-N 0 0 307.353 3.739 50 5 DHBARN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000008237535 563947343 /nfs/dbraw/zinc/94/73/43/563947343.db2.gz CTDDQZPVQCCHKC-LLVKDONJSA-N 0 0 310.309 3.832 50 5 DHBARN O=[N+]([O-])c1c(Sc2cc(F)ccc2F)nc2sccn21 ZINC000008374593 563948013 /nfs/dbraw/zinc/94/80/13/563948013.db2.gz JYXUWWYOOQFEST-UHFFFAOYSA-N 0 0 313.310 3.733 50 5 DHBARN Cn1cnc([N+](=O)[O-])c1N[C@H](Cc1ccccc1)c1ccccc1 ZINC000008338346 563948124 /nfs/dbraw/zinc/94/81/24/563948124.db2.gz SRSIXNNDBCTJME-MRXNPFEDSA-N 0 0 322.368 3.724 50 5 DHBARN COc1ccc(C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000001000117 568417060 /nfs/dbraw/zinc/41/70/60/568417060.db2.gz RGKISLMQPTZUSW-UHFFFAOYSA-N 0 0 321.716 3.614 50 5 DHBARN O=[N+]([O-])c1ccc(OCCC(F)(F)F)c(Br)c1 ZINC000077939249 568421923 /nfs/dbraw/zinc/42/19/23/568421923.db2.gz JUAFOXJVJCZZAY-UHFFFAOYSA-N 0 0 314.057 3.689 50 5 DHBARN COc1cccc(Cl)c1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000127685477 1016780896 /nfs/dbraw/zinc/78/08/96/1016780896.db2.gz YUTWKPICDZOPFA-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN CCc1cc2c(s1)S[C@H](c1ccc([N+](=O)[O-])cc1)NC2=O ZINC000000185097 1016781981 /nfs/dbraw/zinc/78/19/81/1016781981.db2.gz OQEBAEWCGIGZOI-CYBMUJFWSA-N 0 0 320.395 3.753 50 5 DHBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc2c1CCCC2 ZINC000000462003 1019923765 /nfs/dbraw/zinc/92/37/65/1019923765.db2.gz GDGDRCXNBIPRLH-UHFFFAOYSA-N 0 0 310.353 3.655 50 5 DHBARN O=[N+]([O-])c1ccc(/C=C/Sc2ncnc3ccsc32)o1 ZINC000066778925 1021637141 /nfs/dbraw/zinc/63/71/41/1021637141.db2.gz ITAKSZHTQZAING-HWKANZROSA-N 0 0 305.340 3.956 50 5 DHBARN O=[N+]([O-])c1ccc(CSc2nnc(C3CC3)n2C2CC2)cc1 ZINC000007851238 1022628816 /nfs/dbraw/zinc/62/88/16/1022628816.db2.gz SCWAZIXQUQYWTK-UHFFFAOYSA-N 0 0 316.386 3.691 50 5 DHBARN CC(C)c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002173337 1037614220 /nfs/dbraw/zinc/61/42/20/1037614220.db2.gz XEHHWKFSOJRNHQ-UHFFFAOYSA-N 0 0 305.355 3.551 50 5 DHBARN O=[N+]([O-])c1ccc2oc(CSc3nccn3C3CC3)nc2c1 ZINC000083091810 185213061 /nfs/dbraw/zinc/21/30/61/185213061.db2.gz MNMXIHUIRYVCNZ-UHFFFAOYSA-N 0 0 316.342 3.560 50 5 DHBARN O=[N+]([O-])c1cc(Cl)ccc1-c1nc(-c2ccccc2)no1 ZINC000000467147 190614267 /nfs/dbraw/zinc/61/42/67/190614267.db2.gz VERLWQQKPGBIIH-UHFFFAOYSA-N 0 0 301.689 3.965 50 5 DHBARN Cc1cnc(N2CCC[C@@H]2c2nc3ccccc3[nH]2)c([N+](=O)[O-])c1 ZINC000095411530 185357578 /nfs/dbraw/zinc/35/75/78/185357578.db2.gz NUQJDGPBPKEDMY-CQSZACIVSA-N 0 0 323.356 3.516 50 5 DHBARN COCc1ccccc1CNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000225817151 201751585 /nfs/dbraw/zinc/75/15/85/201751585.db2.gz QBAKWIGJHWXVNS-UHFFFAOYSA-N 0 0 314.341 3.556 50 5 DHBARN Cc1cc(C)n([C@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)n1 ZINC000000075201 180684966 /nfs/dbraw/zinc/68/49/66/180684966.db2.gz ZQTBCWPIVUUWHI-CYBMUJFWSA-N 0 0 314.172 3.673 50 5 DHBARN COc1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000102868 180694110 /nfs/dbraw/zinc/69/41/10/180694110.db2.gz UESZQUOYTFDLOB-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1 ZINC000000265799 180742570 /nfs/dbraw/zinc/74/25/70/180742570.db2.gz DCZOGZKXROXZRD-UHFFFAOYSA-N 0 0 309.119 3.732 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Cl)cc1 ZINC000000296427 180751262 /nfs/dbraw/zinc/75/12/62/180751262.db2.gz TWQJFKDTCHBKFE-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN Cc1cccc(N2C(=O)CS[C@@H]2c2ccccc2[N+](=O)[O-])c1 ZINC000000423820 180785251 /nfs/dbraw/zinc/78/52/51/180785251.db2.gz NACYNXLAONOPQA-MRXNPFEDSA-N 0 0 314.366 3.682 50 5 DHBARN COc1cc(C=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000000454570 180795792 /nfs/dbraw/zinc/79/57/92/180795792.db2.gz AVCHPEHEVVLEHR-UHFFFAOYSA-N 0 0 321.716 3.648 50 5 DHBARN COc1cccc(OC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000002156201 180912590 /nfs/dbraw/zinc/91/25/90/180912590.db2.gz CQOYVNVZYPGHFS-UHFFFAOYSA-N 0 0 322.704 3.868 50 5 DHBARN O=[N+]([O-])c1ccc([C@@H]2CC2(Br)Br)cc1 ZINC000000085149 563524186 /nfs/dbraw/zinc/52/41/86/563524186.db2.gz NGJNJLGZOFEABY-QMMMGPOBSA-N 0 0 320.968 3.568 50 5 DHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccccc1Cl ZINC000003294570 181001341 /nfs/dbraw/zinc/00/13/41/181001341.db2.gz XYUPRNAUELCNSO-CMDGGOBGSA-N 0 0 316.744 3.578 50 5 DHBARN O=[N+]([O-])c1ccc(CSc2ccc3c(c2)OCCO3)cc1 ZINC000003489527 181026027 /nfs/dbraw/zinc/02/60/27/181026027.db2.gz XLQAVHIGGGEXGT-UHFFFAOYSA-N 0 0 303.339 3.658 50 5 DHBARN CCOc1ccc2c(c1)oc(=O)cc2-c1cccc([N+](=O)[O-])c1 ZINC000003892480 181052836 /nfs/dbraw/zinc/05/28/36/181052836.db2.gz IRQJJCVGXKXNGI-UHFFFAOYSA-N 0 0 311.293 3.767 50 5 DHBARN CC(C)(C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000004070041 181068688 /nfs/dbraw/zinc/06/86/88/181068688.db2.gz VFEGUAMWWFJJEW-UHFFFAOYSA-N 0 0 305.359 3.703 50 5 DHBARN O=C(Nc1nc2c(cccc2F)s1)c1cccc([N+](=O)[O-])c1 ZINC000004331527 181098661 /nfs/dbraw/zinc/09/86/61/181098661.db2.gz WJRPVWTXTBRGQT-UHFFFAOYSA-N 0 0 317.301 3.596 50 5 DHBARN CC[C@@H](C)C(=O)Nc1ccc(NC(=O)[C@H](C)CC)c([N+](=O)[O-])c1 ZINC000004427938 181109437 /nfs/dbraw/zinc/10/94/37/181109437.db2.gz JQOACDYRPWMVDS-GHMZBOCLSA-N 0 0 321.377 3.564 50 5 DHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)/C(Cl)=C/c1ccccc1 ZINC000004600153 181128977 /nfs/dbraw/zinc/12/89/77/181128977.db2.gz HSIWVNOQMKINFV-UVTDQMKNSA-N 0 0 302.717 3.813 50 5 DHBARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004614095 181129762 /nfs/dbraw/zinc/12/97/62/181129762.db2.gz ALYAWQALYGPCMJ-UHFFFAOYSA-N 0 0 323.308 3.811 50 5 DHBARN Cc1ccc([C@H](C)c2c(C)c([N+](=O)[O-])cc(C)c2[N+](=O)[O-])cn1 ZINC000004713636 181141094 /nfs/dbraw/zinc/14/10/94/181141094.db2.gz MJPYHZZWNGRGOF-NSHDSACASA-N 0 0 315.329 3.975 50 5 DHBARN CCCCNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004773195 181150244 /nfs/dbraw/zinc/15/02/44/181150244.db2.gz MMWUYVYVWCPGKB-UHFFFAOYSA-N 0 0 307.228 3.734 50 5 DHBARN O=C(Nc1ncc([N+](=O)[O-])s1)c1cc(Cl)ccc1Cl ZINC000004853135 181163178 /nfs/dbraw/zinc/16/31/78/181163178.db2.gz FDXRGJRJMMDVJS-UHFFFAOYSA-N 0 0 318.141 3.610 50 5 DHBARN Cc1ccnc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000004869393 181166337 /nfs/dbraw/zinc/16/63/37/181166337.db2.gz CXYSEKCXIYPPJK-UHFFFAOYSA-N 0 0 315.276 3.863 50 5 DHBARN O=C(NCc1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000004869359 181166390 /nfs/dbraw/zinc/16/63/90/181166390.db2.gz FZAGSZXRHOWLGD-UHFFFAOYSA-N 0 0 322.320 3.785 50 5 DHBARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1C ZINC000004918617 181173152 /nfs/dbraw/zinc/17/31/52/181173152.db2.gz UIXSBYBQWJDEIT-ZDUSSCGKSA-N 0 0 314.341 3.618 50 5 DHBARN Cc1ccc(NC(=O)CCCOc2ccccc2)c([N+](=O)[O-])c1 ZINC000004985792 181185360 /nfs/dbraw/zinc/18/53/60/181185360.db2.gz KEXUIMWLJWYIQB-UHFFFAOYSA-N 0 0 314.341 3.701 50 5 DHBARN O=C(/C=C/C1=Cc2ccccc2OC1)Nc1ccccc1[N+](=O)[O-] ZINC000005034388 181194520 /nfs/dbraw/zinc/19/45/20/181194520.db2.gz SCLMKCIJNIVDOQ-MDZDMXLPSA-N 0 0 322.320 3.566 50 5 DHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(Cl)c1 ZINC000005061167 181199018 /nfs/dbraw/zinc/19/90/18/181199018.db2.gz VKXQYXCYHIRRAD-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1 ZINC000005109043 181204672 /nfs/dbraw/zinc/20/46/72/181204672.db2.gz VIYORKWHAYVPKB-JTQLQIEISA-N 0 0 320.732 3.654 50 5 DHBARN Cc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000005747225 181279871 /nfs/dbraw/zinc/27/98/71/181279871.db2.gz SRNJPRGEYVWUJN-UHFFFAOYSA-N 0 0 314.385 3.602 50 5 DHBARN COc1ccc(CNc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000006230862 181321314 /nfs/dbraw/zinc/32/13/14/181321314.db2.gz BJIZRTCHPZMDFP-UHFFFAOYSA-N 0 0 322.748 3.878 50 5 DHBARN O=C(CCNc1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1 ZINC000006528198 181349884 /nfs/dbraw/zinc/34/98/84/181349884.db2.gz BWKBRENHHLIMCF-UHFFFAOYSA-N 0 0 310.762 3.995 50 5 DHBARN CC(C)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000006623446 181362148 /nfs/dbraw/zinc/36/21/48/181362148.db2.gz WTLONBYVXBLZOZ-UHFFFAOYSA-N 0 0 320.370 3.519 50 5 DHBARN COCc1cc([N+](=O)[O-])ccc1NC(=O)CC1=CCCCC1 ZINC000096461703 193657736 /nfs/dbraw/zinc/65/77/36/193657736.db2.gz ITKWTZFMJWKBKE-UHFFFAOYSA-N 0 0 304.346 3.570 50 5 DHBARN Cc1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000008231105 181537776 /nfs/dbraw/zinc/53/77/76/181537776.db2.gz COIQGARZDAFRIB-UHFFFAOYSA-N 0 0 313.357 3.734 50 5 DHBARN Cc1ccc(NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1C ZINC000008562229 181564452 /nfs/dbraw/zinc/56/44/52/181564452.db2.gz BIEYNGVZCLDPBV-ZDUSSCGKSA-N 0 0 314.341 3.618 50 5 DHBARN Cc1ccc(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000017055135 182072882 /nfs/dbraw/zinc/07/28/82/182072882.db2.gz ZNKHSUFINBYBHG-UHFFFAOYSA-N 0 0 319.748 3.878 50 5 DHBARN Cc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000018182829 182097446 /nfs/dbraw/zinc/09/74/46/182097446.db2.gz RVYBCRVQJXNRPI-ZFWWWQNUSA-N 0 0 302.374 3.698 50 5 DHBARN Cc1noc(-c2ccc(NCc3ccc(C)cc3)c([N+](=O)[O-])c2)n1 ZINC000020897958 182252392 /nfs/dbraw/zinc/25/23/92/182252392.db2.gz JGCNLZHXYKCOOE-UHFFFAOYSA-N 0 0 324.340 3.874 50 5 DHBARN CN(C(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC000023151692 182351454 /nfs/dbraw/zinc/35/14/54/182351454.db2.gz QTVSHUDZQXEXME-INIZCTEOSA-N 0 0 310.353 3.744 50 5 DHBARN CN(CCOc1ccccc1)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000024057801 182374654 /nfs/dbraw/zinc/37/46/54/182374654.db2.gz XTUMKVSZDIYGFJ-UHFFFAOYSA-N 0 0 323.352 3.658 50 5 DHBARN Cc1sc(C(=O)N2c3ccccc3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000024442409 182380684 /nfs/dbraw/zinc/38/06/84/182380684.db2.gz DPWRWINYVSVJRY-VIFPVBQESA-N 0 0 302.355 3.556 50 5 DHBARN CC(C)(C)c1noc(COc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000031708844 182620495 /nfs/dbraw/zinc/62/04/95/182620495.db2.gz QOAXBLJWINAAFD-UHFFFAOYSA-N 0 0 311.725 3.508 50 5 DHBARN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1 ZINC000032904102 182677213 /nfs/dbraw/zinc/67/72/13/182677213.db2.gz MGSPSOMTWWUGGI-NSHDSACASA-N 0 0 308.721 3.722 50 5 DHBARN O=C(c1ccc([N+](=O)[O-])cc1)N(C1CCCC1)C1CCCC1 ZINC000063442969 184281585 /nfs/dbraw/zinc/28/15/85/184281585.db2.gz ACAYMSUNMJJNDF-UHFFFAOYSA-N 0 0 302.374 3.922 50 5 DHBARN Cc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1[N+](=O)[O-] ZINC000000464127 331462982 /nfs/dbraw/zinc/46/29/82/331462982.db2.gz VLDRBWWSEQSELE-UHFFFAOYSA-N 0 0 308.696 3.948 50 5 DHBARN Cc1ccc([C@@H](C)NCc2coc(C(C)C)n2)cc1[N+](=O)[O-] ZINC000253429928 563925392 /nfs/dbraw/zinc/92/53/92/563925392.db2.gz OXBKPILYZPUCEZ-GFCCVEGCSA-N 0 0 303.362 3.865 50 5 DHBARN O=c1c2ccccc2nc2ccc(SCc3ccccc3)nn21 ZINC000000385725 563248616 /nfs/dbraw/zinc/24/86/16/563248616.db2.gz JZLVKPQTUKRSDB-UHFFFAOYSA-N 0 0 319.389 3.535 50 5 DHBARN O=[N+]([O-])c1ccc(OCc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000008270995 563345249 /nfs/dbraw/zinc/34/52/49/563345249.db2.gz YGTICULPEPISMH-UHFFFAOYSA-N 0 0 321.716 3.598 50 5 DHBARN O=C(Oc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000014233433 563399170 /nfs/dbraw/zinc/39/91/70/563399170.db2.gz MKPOTEBVVYZZIP-UHFFFAOYSA-N 0 0 322.114 3.577 50 5 DHBARN CSc1ccc(C(=O)N(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000015348923 563409730 /nfs/dbraw/zinc/40/97/30/563409730.db2.gz XOITYDTVVXSWBV-UHFFFAOYSA-N 0 0 302.355 3.593 50 5 DHBARN Cc1cccc(/C=C\C(=O)Nc2ccc([N+](=O)[O-])cc2F)c1 ZINC000098009203 563515161 /nfs/dbraw/zinc/51/51/61/563515161.db2.gz WFZQLQBBDDBQIS-YVMONPNESA-N 0 0 300.289 3.694 50 5 DHBARN Cc1c(C(=O)N[C@@H](C)CCc2ccccc2)cccc1[N+](=O)[O-] ZINC000000073798 563520574 /nfs/dbraw/zinc/52/05/74/563520574.db2.gz FXPSYSLKOGMHGF-ZDUSSCGKSA-N 0 0 312.369 3.654 50 5 DHBARN CCSc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1 ZINC000000092795 563528373 /nfs/dbraw/zinc/52/83/73/563528373.db2.gz KKPUKKVYPDPZRO-UHFFFAOYSA-N 0 0 316.382 3.637 50 5 DHBARN Nc1ccccc1Sc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000000127760 563571699 /nfs/dbraw/zinc/57/16/99/563571699.db2.gz XXVDRLDRZBXPGM-UHFFFAOYSA-N 0 0 315.276 3.742 50 5 DHBARN O=[N+]([O-])c1cc(-c2ncnn2-c2ccc(F)cc2)ccc1Cl ZINC000000180899 563575558 /nfs/dbraw/zinc/57/55/58/563575558.db2.gz SCIJNYQYPCAWCO-UHFFFAOYSA-N 0 0 318.695 3.635 50 5 DHBARN O=C(Nc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000225998 563579226 /nfs/dbraw/zinc/57/92/26/563579226.db2.gz WXCIUWMZYPAPDZ-UHFFFAOYSA-N 0 0 321.130 3.610 50 5 DHBARN Cc1ccc2cc3ncn(-c4ccc([N+](=O)[O-])cc4)c3nc2c1 ZINC000000241229 563580832 /nfs/dbraw/zinc/58/08/32/563580832.db2.gz BRVACDCOFJFGDL-UHFFFAOYSA-N 0 0 304.309 3.790 50 5 DHBARN CNc1ccccc1-n1cc(-c2ccc([N+](=O)[O-])cc2)nc1C ZINC000000352213 563590006 /nfs/dbraw/zinc/59/00/06/563590006.db2.gz ZQHVIMHCHJILHG-UHFFFAOYSA-N 0 0 308.341 3.798 50 5 DHBARN Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1[N+](=O)[O-] ZINC000000374481 563591402 /nfs/dbraw/zinc/59/14/02/563591402.db2.gz WBRBTQNWZCSLOZ-UHFFFAOYSA-N 0 0 300.145 3.763 50 5 DHBARN Cc1cc(NC(=O)C(C)(C)C)nc2c3ccccc3oc(=O)c12 ZINC000000428484 563612882 /nfs/dbraw/zinc/61/28/82/563612882.db2.gz JXNHGSIWMRBIJN-UHFFFAOYSA-N 0 0 310.353 3.634 50 5 DHBARN COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000000435864 563613648 /nfs/dbraw/zinc/61/36/48/563613648.db2.gz ZDFXODGSMOZHNH-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN COc1cccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000000449817 563614344 /nfs/dbraw/zinc/61/43/44/563614344.db2.gz WWIUOZIMHNYELX-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000000442337 563614545 /nfs/dbraw/zinc/61/45/45/563614545.db2.gz HQHGTAFXRZLEOC-INIZCTEOSA-N 0 0 314.341 3.699 50 5 DHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1F ZINC000000456240 563615789 /nfs/dbraw/zinc/61/57/89/563615789.db2.gz XKTUIIDQEYOIQG-QPJJXVBHSA-N 0 0 304.252 3.525 50 5 DHBARN Cc1ccc(NC(=O)CSCc2ccccc2)cc1[N+](=O)[O-] ZINC000000612345 563698772 /nfs/dbraw/zinc/69/87/72/563698772.db2.gz IZFYNSJXOYFXNY-UHFFFAOYSA-N 0 0 316.382 3.775 50 5 DHBARN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1F ZINC000000619301 563698839 /nfs/dbraw/zinc/69/88/39/563698839.db2.gz JUDFLTRKBXSWIT-UHFFFAOYSA-N 0 0 320.345 3.606 50 5 DHBARN Cc1cc2ccccc2n1CC(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000025189881 563785836 /nfs/dbraw/zinc/78/58/36/563785836.db2.gz ONUOLGCUZOVRMW-UHFFFAOYSA-N 0 0 324.336 3.601 50 5 DHBARN Cc1cc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cs1 ZINC000001056489 563788300 /nfs/dbraw/zinc/78/83/00/563788300.db2.gz SLZAQXMMWYGUQU-UHFFFAOYSA-N 0 0 319.367 3.827 50 5 DHBARN O=C(Nc1nc2c(s1)CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000012758280 563824967 /nfs/dbraw/zinc/82/49/67/563824967.db2.gz YGARSZGZUYWJFJ-UHFFFAOYSA-N 0 0 317.370 3.573 50 5 DHBARN CCC(=O)Nc1nc(CC(C)C)cc2c3ccccc3oc(=O)c21 ZINC000001461275 563836560 /nfs/dbraw/zinc/83/65/60/563836560.db2.gz KVXNHCGRFLKZNZ-UHFFFAOYSA-N 0 0 324.380 3.888 50 5 DHBARN O=[N+]([O-])c1ccccc1-c1ccc(C(=S)N2CCCC2)o1 ZINC000001471359 563838719 /nfs/dbraw/zinc/83/87/19/563838719.db2.gz LNTMERMVWRMWOQ-UHFFFAOYSA-N 0 0 302.355 3.626 50 5 DHBARN COc1ccccc1[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000026334791 563863756 /nfs/dbraw/zinc/86/37/56/563863756.db2.gz UALYBEVDJXKBEO-ZDUSSCGKSA-N 0 0 300.358 3.796 50 5 DHBARN O=C1c2cc(F)ccc2-c2cc(Br)c([N+](=O)[O-])cc21 ZINC000001701537 563866150 /nfs/dbraw/zinc/86/61/50/563866150.db2.gz XMTJWHNAHDTOMZ-UHFFFAOYSA-N 0 0 322.089 3.708 50 5 DHBARN Cc1nn(C)c(NC2CCC(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000051901907 563873873 /nfs/dbraw/zinc/87/38/73/563873873.db2.gz RWFNJVDZWOJVDX-UHFFFAOYSA-N 0 0 314.389 3.775 50 5 DHBARN CC(C)(C)c1cn2nc(Oc3ccc([N+](=O)[O-])cc3)sc2n1 ZINC000054041449 563882685 /nfs/dbraw/zinc/88/26/85/563882685.db2.gz MHVPYPYOKPAGLY-UHFFFAOYSA-N 0 0 318.358 3.789 50 5 DHBARN Cc1ccc2ncnc(NCCc3cccc([N+](=O)[O-])c3)c2c1 ZINC000170590970 563906652 /nfs/dbraw/zinc/90/66/52/563906652.db2.gz CRKNFKRHAOYDJF-UHFFFAOYSA-N 0 0 308.341 3.501 50 5 DHBARN NC(=O)c1cc2c(ccc3ccccc32)oc1=Nc1ccccc1 ZINC000252670090 563920345 /nfs/dbraw/zinc/92/03/45/563920345.db2.gz JNJOLYKPIAORPJ-UHFFFAOYSA-N 0 0 314.344 3.917 50 5 DHBARN O=[N+]([O-])c1cc(OC(F)(F)Cl)ccc1Br ZINC000095215607 563930911 /nfs/dbraw/zinc/93/09/11/563930911.db2.gz OFQWMNHQEIMLCL-UHFFFAOYSA-N 0 0 302.458 3.525 50 5 DHBARN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccco1 ZINC000095985507 563934235 /nfs/dbraw/zinc/93/42/35/563934235.db2.gz INAHSVRLHCJQMI-UHFFFAOYSA-N 0 0 320.370 3.618 50 5 DHBARN O=C(c1ccccc1[N+](=O)[O-])N1CC=C(c2cccs2)CC1 ZINC000096409979 563936900 /nfs/dbraw/zinc/93/69/00/563936900.db2.gz ZJSJXSWZRWIJEC-UHFFFAOYSA-N 0 0 314.366 3.586 50 5 DHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCCCc1ccccc1 ZINC000002746502 563940590 /nfs/dbraw/zinc/94/05/90/563940590.db2.gz DZTVINNAVUGHTE-OUKQBFOZSA-N 0 0 324.380 3.747 50 5 DHBARN O=[N+]([O-])c1ccc(-c2cnc(-c3ccc([N+](=O)[O-])cc3)nc2)cc1 ZINC000002865150 563940904 /nfs/dbraw/zinc/94/09/04/563940904.db2.gz SYARVPVDFNQZBF-UHFFFAOYSA-N 0 0 322.280 3.627 50 5 DHBARN O=C(OCc1ccc(F)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000002861741 563940948 /nfs/dbraw/zinc/94/09/48/563940948.db2.gz VQRYGCKLYGPTQV-UHFFFAOYSA-N 0 0 309.680 3.744 50 5 DHBARN COc1cc(-c2nc3ccccc3s2)c([N+](=O)[O-])cc1OC ZINC000002874530 563941125 /nfs/dbraw/zinc/94/11/25/563941125.db2.gz JLGPTZFSIIXRIH-UHFFFAOYSA-N 0 0 316.338 3.889 50 5 DHBARN CC(C)C(NC(=O)CSCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000002982818 563941529 /nfs/dbraw/zinc/94/15/29/563941529.db2.gz CQEYIXXYOGNZDA-UHFFFAOYSA-N 0 0 324.446 3.625 50 5 DHBARN O=[N+]([O-])c1ccc(OCCCOc2cccc3cccnc32)cc1 ZINC000002985864 563941622 /nfs/dbraw/zinc/94/16/22/563941622.db2.gz MVOODWZBZSCQRQ-UHFFFAOYSA-N 0 0 324.336 3.991 50 5 DHBARN CC(=O)c1ccccc1OC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000003086157 563941900 /nfs/dbraw/zinc/94/19/00/563941900.db2.gz NDXYVXRCVIDXOQ-UHFFFAOYSA-N 0 0 314.297 3.717 50 5 DHBARN O=C(C[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1)c1ccccc1 ZINC000003158500 563942507 /nfs/dbraw/zinc/94/25/07/563942507.db2.gz ZJXBEVHOWHRAGL-AWEZNQCLSA-N 0 0 303.745 3.973 50 5 DHBARN CC(C)OP(=O)(OC(C)C)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000003178306 563942565 /nfs/dbraw/zinc/94/25/65/563942565.db2.gz KMBWACMXGIVAMT-CYBMUJFWSA-N 0 0 317.278 3.629 50 5 DHBARN CC(C)OP(=O)(OC(C)C)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000003178304 563942630 /nfs/dbraw/zinc/94/26/30/563942630.db2.gz KMBWACMXGIVAMT-ZDUSSCGKSA-N 0 0 317.278 3.629 50 5 DHBARN CCc1sc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1C ZINC000008074989 563946444 /nfs/dbraw/zinc/94/64/44/563946444.db2.gz BVPUKZVQBRUGCI-UHFFFAOYSA-N 0 0 308.334 3.919 50 5 DHBARN COc1cc(C(=O)Nc2cccc(Cl)c2)cc([N+](=O)[O-])c1 ZINC000008749255 563950475 /nfs/dbraw/zinc/95/04/75/563950475.db2.gz SHWUPFGGLCCCHQ-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000009451374 563955902 /nfs/dbraw/zinc/95/59/02/563955902.db2.gz UIEWYJYBPLZLHT-LBPRGKRZSA-N 0 0 324.336 3.761 50 5 DHBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1C(F)(F)F ZINC000000183889 1016782019 /nfs/dbraw/zinc/78/20/19/1016782019.db2.gz YDHCOUVZJVOYMB-UHFFFAOYSA-N 0 0 324.258 3.795 50 5 DHBARN Cn1ccnc1[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000012579776 1012983114 /nfs/dbraw/zinc/98/31/14/1012983114.db2.gz PWSPGKJRRVXCBX-INIZCTEOSA-N 0 0 308.341 3.530 50 5 DHBARN C[C@@H](C(=O)NCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000579937 1022350532 /nfs/dbraw/zinc/35/05/32/1022350532.db2.gz SDLGQACUGLTZRO-LLVKDONJSA-N 0 0 318.760 3.668 50 5 DHBARN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccccc1Br ZINC000048976595 1023832699 /nfs/dbraw/zinc/83/26/99/1023832699.db2.gz KIIKCBZOLVYWPG-SECBINFHSA-N 0 0 322.162 3.925 50 5 DHBARN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000252585140 1037837124 /nfs/dbraw/zinc/83/71/24/1037837124.db2.gz GLKPRRXQYMSHFU-MEDUHNTESA-N 0 0 313.313 3.700 50 5 DHBARN Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000024484964 190649469 /nfs/dbraw/zinc/64/94/69/190649469.db2.gz NXGXICLAJHZYRC-UHFFFAOYSA-N 0 0 323.352 3.874 50 5 DHBARN CC[C@@](O)(c1ccccc1)[C@@H](Cc1ccccc1)C[N+](C)(C)[O-] ZINC000071767245 191029362 /nfs/dbraw/zinc/02/93/62/191029362.db2.gz XXKGQKYISFNEFI-VQTJNVASSA-N 0 0 313.441 3.717 50 5 DHBARN CC(=O)c1ccc(N[C@@H](C)c2ccncc2F)c([N+](=O)[O-])c1 ZINC000253398684 186306310 /nfs/dbraw/zinc/30/63/10/186306310.db2.gz ZQLHBSFMCQOPQG-VIFPVBQESA-N 0 0 303.293 3.505 50 5 DHBARN O=C(CCc1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000038828 180674748 /nfs/dbraw/zinc/67/47/48/180674748.db2.gz JQVSBUPEQDLOAZ-UHFFFAOYSA-N 0 0 304.733 3.820 50 5 DHBARN O=C(Nc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000000101759 180693305 /nfs/dbraw/zinc/69/33/05/180693305.db2.gz BCNOELQOESJJCH-UHFFFAOYSA-N 0 0 321.130 3.610 50 5 DHBARN CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000000342524 180762198 /nfs/dbraw/zinc/76/21/98/180762198.db2.gz YPTOTEFTUZGCJL-UHFFFAOYSA-N 0 0 300.314 3.554 50 5 DHBARN COc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000000326447 180760173 /nfs/dbraw/zinc/76/01/73/180760173.db2.gz UZLGTTGACRPCLP-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN CN(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000000442284 180792093 /nfs/dbraw/zinc/79/20/93/180792093.db2.gz JUCOTVVEGUEDRE-UHFFFAOYSA-N 0 0 319.748 3.567 50 5 DHBARN Cc1ccc(N2C(=O)CS[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000000423813 180785156 /nfs/dbraw/zinc/78/51/56/180785156.db2.gz IROVVGZWDBSCGX-INIZCTEOSA-N 0 0 314.366 3.682 50 5 DHBARN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCCc2ccccc21 ZINC000000474163 180802284 /nfs/dbraw/zinc/80/22/84/180802284.db2.gz SKZVUPSIULFPNA-UHFFFAOYSA-N 0 0 316.744 3.841 50 5 DHBARN COC(=O)c1ccc(COc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000000523028 180812530 /nfs/dbraw/zinc/81/25/30/180812530.db2.gz JZXUZOILBPADIH-UHFFFAOYSA-N 0 0 321.716 3.614 50 5 DHBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)Oc1ccccc1F ZINC000001741911 180893589 /nfs/dbraw/zinc/89/35/89/180893589.db2.gz JPNBPLCVPGATNV-UHFFFAOYSA-N 0 0 310.668 3.998 50 5 DHBARN O=C(c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000002392564 180922738 /nfs/dbraw/zinc/92/27/38/180922738.db2.gz DVLBPSMGXKOSNE-UHFFFAOYSA-N 0 0 306.115 3.588 50 5 DHBARN O=[N+]([O-])c1ccc(COc2c(F)c(F)cc(F)c2F)cc1 ZINC000002863327 180964503 /nfs/dbraw/zinc/96/45/03/180964503.db2.gz QUTJOURGIJNWAN-UHFFFAOYSA-N 0 0 301.195 3.730 50 5 DHBARN CCOc1ccc(C(=O)Oc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000002868454 180965290 /nfs/dbraw/zinc/96/52/90/180965290.db2.gz PAURHNCCPXTFJZ-UHFFFAOYSA-N 0 0 321.716 3.866 50 5 DHBARN O=C(Nc1ncc(-c2ccccc2)s1)c1ccc([N+](=O)[O-])o1 ZINC000003306612 181003057 /nfs/dbraw/zinc/00/30/57/181003057.db2.gz HPVQXTHHGFBANZ-UHFFFAOYSA-N 0 0 315.310 3.564 50 5 DHBARN CCc1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC000003430822 181018931 /nfs/dbraw/zinc/01/89/31/181018931.db2.gz OMIQAPJQZBUGMF-UHFFFAOYSA-N 0 0 316.382 3.888 50 5 DHBARN COc1cccc(OCCNc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000004078951 181070405 /nfs/dbraw/zinc/07/04/05/181070405.db2.gz PELOEQDOYIGWOO-UHFFFAOYSA-N 0 0 322.748 3.748 50 5 DHBARN Cc1ccc(Nc2ccc([N+](=O)[O-])c3nonc32)cc1Cl ZINC000004131791 181077541 /nfs/dbraw/zinc/07/75/41/181077541.db2.gz JJJVRQOAQIFJLZ-UHFFFAOYSA-N 0 0 304.693 3.836 50 5 DHBARN O=[N+]([O-])c1cc(F)c(N2CCCC2)cc1N1CCCCCC1 ZINC000004137913 181078232 /nfs/dbraw/zinc/07/82/32/181078232.db2.gz RNGDRTGJKRUPPH-UHFFFAOYSA-N 0 0 307.369 3.715 50 5 DHBARN C[C@@H]1CCCC[C@@H]1Nc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC000004183762 181082561 /nfs/dbraw/zinc/08/25/61/181082561.db2.gz YTZABSJRIVRGPQ-PWSUYJOCSA-N 0 0 302.330 3.692 50 5 DHBARN CC(C)(C)NC(=S)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004299952 181094259 /nfs/dbraw/zinc/09/42/59/181094259.db2.gz IFNCZAKCNJKLAU-UHFFFAOYSA-N 0 0 321.324 3.699 50 5 DHBARN Cc1ccc(C)c(OCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000004550329 181124032 /nfs/dbraw/zinc/12/40/32/181124032.db2.gz BQMBCYMGGAADNW-UHFFFAOYSA-N 0 0 314.341 3.538 50 5 DHBARN O=[N+]([O-])c1ccc(/C=C/c2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000004596877 181128744 /nfs/dbraw/zinc/12/87/44/181128744.db2.gz JRHDPBFTBMMEGF-FPYGCLRLSA-N 0 0 311.253 3.815 50 5 DHBARN Cc1cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000004725412 181143376 /nfs/dbraw/zinc/14/33/76/181143376.db2.gz JERNZZPETWOOAV-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN CC(C)COc1ccc(/C=C/[N+](=O)[O-])cc1Br ZINC000004842168 181161160 /nfs/dbraw/zinc/16/11/60/181161160.db2.gz WJOSIFUYLAWOAS-AATRIKPKSA-N 0 0 300.152 3.731 50 5 DHBARN O=[N+]([O-])c1ccc(NC(=S)NCCC2=CCCCC2)cc1 ZINC000005041777 181195436 /nfs/dbraw/zinc/19/54/36/181195436.db2.gz RBJGCJHOFVXQNP-UHFFFAOYSA-N 0 0 305.403 3.772 50 5 DHBARN O=C(NCCc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000005063171 181199357 /nfs/dbraw/zinc/19/93/57/181199357.db2.gz PUXWJNNGRQBRKO-UHFFFAOYSA-N 0 0 319.748 3.612 50 5 DHBARN O=C(OCc1ccc(F)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000005112859 181204896 /nfs/dbraw/zinc/20/48/96/181204896.db2.gz UKVULQRWHIQDJF-UHFFFAOYSA-N 0 0 309.680 3.744 50 5 DHBARN CC(C)=C[C@@H]1[C@@H](C(=O)OCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000005159114 181211920 /nfs/dbraw/zinc/21/19/20/181211920.db2.gz OPZSANIOIAAUSP-HIFRSBDPSA-N 0 0 303.358 3.876 50 5 DHBARN COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000005527213 181253887 /nfs/dbraw/zinc/25/38/87/181253887.db2.gz IFTKKAQLGWQRQK-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN CCc1ccc(NC(=O)[C@H](C)Oc2cccc([N+](=O)[O-])c2)cc1 ZINC000006060819 181309260 /nfs/dbraw/zinc/30/92/60/181309260.db2.gz XYGBWGJHVGOOEK-LBPRGKRZSA-N 0 0 314.341 3.563 50 5 DHBARN O=[N+]([O-])c1ccccc1CN1CCCC[C@H]1c1nccs1 ZINC000195369581 201384601 /nfs/dbraw/zinc/38/46/01/201384601.db2.gz WXPVHELCIUVDPZ-AWEZNQCLSA-N 0 0 303.387 3.779 50 5 DHBARN Cc1c(C)n(C[C@@H]2CCCO2)c2ncn3c4ccccc4nc3c12 ZINC000006664992 181367349 /nfs/dbraw/zinc/36/73/49/181367349.db2.gz SLRVVKNXSBSUAA-AWEZNQCLSA-N 0 0 320.396 3.633 50 5 DHBARN CC[C@H](CNC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000015577813 182007600 /nfs/dbraw/zinc/00/76/00/182007600.db2.gz MHNVBLNZHBJQFY-CQSZACIVSA-N 0 0 312.369 3.827 50 5 DHBARN Cc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000018182832 182097461 /nfs/dbraw/zinc/09/74/61/182097461.db2.gz RVYBCRVQJXNRPI-DZGCQCFKSA-N 0 0 302.374 3.698 50 5 DHBARN CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCc2ccccc21 ZINC000023151704 182351342 /nfs/dbraw/zinc/35/13/42/182351342.db2.gz SBLPCPIFGQOXGP-KRWDZBQOSA-N 0 0 310.353 3.744 50 5 DHBARN CCN(Cc1cccc(F)c1)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000024654284 182386084 /nfs/dbraw/zinc/38/60/84/182386084.db2.gz NJKHUGHPBQMLTP-UHFFFAOYSA-N 0 0 316.332 3.705 50 5 DHBARN O=[N+]([O-])c1cc(Br)c(Cl)c(Br)c1 ZINC000098063972 193780165 /nfs/dbraw/zinc/78/01/65/193780165.db2.gz BAHAFZIGAXKLGK-UHFFFAOYSA-N 0 0 315.348 3.773 50 5 DHBARN COc1ccc(OCc2csc(C(C)C)n2)c([N+](=O)[O-])c1 ZINC000031650519 182618840 /nfs/dbraw/zinc/61/88/40/182618840.db2.gz VVYRNINBYCWVRM-UHFFFAOYSA-N 0 0 308.359 3.762 50 5 DHBARN CCCCc1cc2c3ccccc3oc(=O)c2c(NC(C)=O)n1 ZINC000100559050 193801138 /nfs/dbraw/zinc/80/11/38/193801138.db2.gz NRBBJNHUAQLSTQ-UHFFFAOYSA-N 0 0 310.353 3.642 50 5 aggregator DHBARN O=[N+]([O-])c1cccc(Br)c1OCc1ccccc1 ZINC000036719647 182836899 /nfs/dbraw/zinc/83/68/99/182836899.db2.gz IJAMXMAVDDCHHD-UHFFFAOYSA-N 0 0 308.131 3.936 50 5 DHBARN Cc1c(NC(=O)NCc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000040099090 183034815 /nfs/dbraw/zinc/03/48/15/183034815.db2.gz UGUOKNPGKXJXHM-UHFFFAOYSA-N 0 0 319.748 3.878 50 5 DHBARN C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000065603981 184371533 /nfs/dbraw/zinc/37/15/33/184371533.db2.gz QZIVCTMCCVQBAW-CABZTGNLSA-N 0 0 311.769 3.948 50 5 DHBARN C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000017744359 331575585 /nfs/dbraw/zinc/57/55/85/331575585.db2.gz BQDQTNDUPIYBLG-LLVKDONJSA-N 0 0 317.320 3.959 50 5 DHBARN C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000000306660 563586970 /nfs/dbraw/zinc/58/69/70/563586970.db2.gz QSXMSTSABYAGEI-SNVBAGLBSA-N 0 0 304.733 3.739 50 5 DHBARN O=C(Nc1cccnc1Cl)c1cc([N+](=O)[O-])ccc1Cl ZINC000003257264 563943361 /nfs/dbraw/zinc/94/33/61/563943361.db2.gz JZFKROGZKSRWIZ-UHFFFAOYSA-N 0 0 312.112 3.549 50 5 DHBARN C[C@H](Nc1ncccc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000032770026 563392227 /nfs/dbraw/zinc/39/22/27/563392227.db2.gz BXUDKCIVTBVCGN-VIFPVBQESA-N 0 0 309.272 3.764 50 5 DHBARN CNc1ccccc1-c1nc2cc3ccccc3cc2n(C)c1=O ZINC000000206926 563447111 /nfs/dbraw/zinc/44/71/11/563447111.db2.gz DJNMWVFLHULKBF-UHFFFAOYSA-N 0 0 315.376 3.795 50 5 DHBARN Cc1ccc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000011233878 563504145 /nfs/dbraw/zinc/50/41/45/563504145.db2.gz MJEIZHHARSKUKW-QGZVFWFLSA-N 0 0 310.353 3.784 50 5 DHBARN O=[N+]([O-])c1ccc(/C=C2\CO[C@H](OCc3ccccc3)C2)cc1 ZINC000247343991 563505574 /nfs/dbraw/zinc/50/55/74/563505574.db2.gz TYGZDNTTWQNBDV-FJJYYWMZSA-N 0 0 311.337 3.941 50 5 DHBARN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCCc2ccccc21 ZINC000000063193 563516235 /nfs/dbraw/zinc/51/62/35/563516235.db2.gz GPMUZXXBCGFVMC-UHFFFAOYSA-N 0 0 316.744 3.841 50 5 DHBARN CC1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000000090964 563527518 /nfs/dbraw/zinc/52/75/18/563527518.db2.gz HFAZVIFISXHGEW-UHFFFAOYSA-N 0 0 303.387 3.955 50 5 DHBARN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000000103136 563543279 /nfs/dbraw/zinc/54/32/79/563543279.db2.gz PHGOXMHUUDTBPH-JTQLQIEISA-N 0 0 304.733 3.739 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cc2ccccc2o1 ZINC000123959012 563561702 /nfs/dbraw/zinc/56/17/02/563561702.db2.gz IATDWZOIXOXJAT-UHFFFAOYSA-N 0 0 324.336 3.622 50 5 DHBARN Cc1[nH]c2ccccc2c1[C@@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000000134652 563572025 /nfs/dbraw/zinc/57/20/25/563572025.db2.gz LJABZXUJICDUMK-AWEZNQCLSA-N 0 0 324.336 3.614 50 5 DHBARN CCOC(=O)c1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1 ZINC000000179214 563574467 /nfs/dbraw/zinc/57/44/67/563574467.db2.gz RWWDKSRRVDTYNM-UHFFFAOYSA-N 0 0 310.309 3.920 50 5 DHBARN O=C(Nc1ccccc1Cl)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000000171610 563574638 /nfs/dbraw/zinc/57/46/38/563574638.db2.gz MJOZNOPAQXVLTE-UHFFFAOYSA-N 0 0 315.716 3.982 50 5 DHBARN Cc1c(C(=O)Nc2cnc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000000187721 563575554 /nfs/dbraw/zinc/57/55/54/563575554.db2.gz ARCCBZNTMFXJPT-UHFFFAOYSA-N 0 0 307.309 3.704 50 5 DHBARN C[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000000253609 563582861 /nfs/dbraw/zinc/58/28/61/563582861.db2.gz GZBXDSCQACQTNS-SNVBAGLBSA-N 0 0 304.733 3.739 50 5 DHBARN O=C(Nc1cc(Cl)ccc1Cl)c1ccc([N+](=O)[O-])o1 ZINC000000272185 563584397 /nfs/dbraw/zinc/58/43/97/563584397.db2.gz GPTBDZPBDZWVDS-UHFFFAOYSA-N 0 0 301.085 3.747 50 5 DHBARN O=C(CSc1cc(Cl)ccc1[N+](=O)[O-])Nc1ccccc1 ZINC000000305526 563587013 /nfs/dbraw/zinc/58/70/13/563587013.db2.gz WCUZKNWJKCPWMA-UHFFFAOYSA-N 0 0 322.773 3.979 50 5 DHBARN Cc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C ZINC000000318808 563587401 /nfs/dbraw/zinc/58/74/01/563587401.db2.gz CRMUJKWIXVEUQI-UHFFFAOYSA-N 0 0 314.341 3.538 50 5 DHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](C)c1ccccc1 ZINC000000319161 563587586 /nfs/dbraw/zinc/58/75/86/563587586.db2.gz XUOYCWOAVHYVOD-LBPRGKRZSA-N 0 0 314.341 3.736 50 5 DHBARN C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000337664 563588708 /nfs/dbraw/zinc/58/87/08/563588708.db2.gz MPUXXOKZLZYAEJ-SNVBAGLBSA-N 0 0 320.732 3.654 50 5 DHBARN O=C(CSc1nc2ccccc2o1)c1cccc([N+](=O)[O-])c1 ZINC000000365221 563589990 /nfs/dbraw/zinc/58/99/90/563589990.db2.gz AUABVCYRPARAPK-UHFFFAOYSA-N 0 0 314.322 3.711 50 5 DHBARN O=C1CS[C@@H](c2ccccc2[N+](=O)[O-])N1c1ccccc1F ZINC000000423998 563612133 /nfs/dbraw/zinc/61/21/33/563612133.db2.gz YDBHHRSNPPAEJB-HNNXBMFYSA-N 0 0 318.329 3.513 50 5 DHBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(F)c1 ZINC000000441485 563614318 /nfs/dbraw/zinc/61/43/18/563614318.db2.gz ZHJMVEKZVYIXCZ-FPYGCLRLSA-N 0 0 304.252 3.525 50 5 DHBARN CC(C)CN(CC(C)C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000000475348 563624927 /nfs/dbraw/zinc/62/49/27/563624927.db2.gz RDRYWNGZNIMSCD-JXMROGBWSA-N 0 0 304.390 3.749 50 5 DHBARN O=[N+]([O-])c1ccc(N[C@@H](c2ccccc2)c2ccccn2)nc1 ZINC000045773836 563690146 /nfs/dbraw/zinc/69/01/46/563690146.db2.gz XEWGTNRIMIAYKW-KRWDZBQOSA-N 0 0 306.325 3.586 50 5 DHBARN CC[C@H](NC(=O)[C@H]1C[C@H]1c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000090466193 563870594 /nfs/dbraw/zinc/87/05/94/563870594.db2.gz UYCCXRSHNBFZTJ-ILXRZTDVSA-N 0 0 314.341 3.559 50 5 DHBARN Cc1cccc(C(=O)NCCc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000012987442 563873503 /nfs/dbraw/zinc/87/35/03/563873503.db2.gz UIWXBDIRNOEFHX-UHFFFAOYSA-N 0 0 318.760 3.529 50 5 DHBARN Cc1ccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001892690 563882906 /nfs/dbraw/zinc/88/29/06/563882906.db2.gz QSPFYRDGXNHZNH-UHFFFAOYSA-N 0 0 316.382 3.775 50 5 DHBARN O=[N+]([O-])c1cccc(Br)c1N1CCC(F)(F)CC1 ZINC000169725446 563895950 /nfs/dbraw/zinc/89/59/50/563895950.db2.gz SFUHPLNKLVNKQS-UHFFFAOYSA-N 0 0 321.121 3.593 50 5 DHBARN O=[N+]([O-])c1ncccc1Oc1ncc(C(F)(F)F)cc1Cl ZINC000007186428 563904234 /nfs/dbraw/zinc/90/42/34/563904234.db2.gz FSIZQBOZRQEDKS-UHFFFAOYSA-N 0 0 319.626 3.849 50 5 DHBARN CCNc1nnc(S[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000007248859 563904943 /nfs/dbraw/zinc/90/49/43/563904943.db2.gz LAPDUXLXKMXKGX-QMMMGPOBSA-N 0 0 310.404 3.731 50 5 DHBARN O=C(c1ccc([N+](=O)[O-])o1)N1CCSc2ccc(Cl)cc21 ZINC000065610383 563905958 /nfs/dbraw/zinc/90/59/58/563905958.db2.gz LLJKVHKHTDKGQI-UHFFFAOYSA-N 0 0 324.745 3.594 50 5 DHBARN Cc1ccc2c(c1)S[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000014206951 563910402 /nfs/dbraw/zinc/91/04/02/563910402.db2.gz ZFGAQDOAAYFNQR-HNNXBMFYSA-N 0 0 314.366 3.559 50 5 DHBARN Cc1occc1SCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000195568402 563919824 /nfs/dbraw/zinc/91/98/24/563919824.db2.gz CEAHJUXTYVWAES-UHFFFAOYSA-N 0 0 306.343 3.535 50 5 DHBARN Cc1ccc([C@H](C)NCc2coc(C(C)C)n2)cc1[N+](=O)[O-] ZINC000253429932 563925358 /nfs/dbraw/zinc/92/53/58/563925358.db2.gz OXBKPILYZPUCEZ-LBPRGKRZSA-N 0 0 303.362 3.865 50 5 DHBARN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012137630 563928652 /nfs/dbraw/zinc/92/86/52/563928652.db2.gz FNRQLNBKNKKQAK-MRXNPFEDSA-N 0 0 314.341 3.699 50 5 DHBARN C[C@H](Oc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1 ZINC000002659867 563940289 /nfs/dbraw/zinc/94/02/89/563940289.db2.gz WUAYLVGMCVTUKM-JTQLQIEISA-N 0 0 320.732 3.654 50 5 DHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1SC ZINC000002874708 563941096 /nfs/dbraw/zinc/94/10/96/563941096.db2.gz ISWLSMWHPQTYRJ-UHFFFAOYSA-N 0 0 318.354 3.578 50 5 DHBARN CCC[C@@H](C)c1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000002865386 563941109 /nfs/dbraw/zinc/94/11/09/563941109.db2.gz AFULMXYHTRFEMQ-SECBINFHSA-N 0 0 320.374 3.602 50 5 DHBARN CSc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000002890153 563941117 /nfs/dbraw/zinc/94/11/17/563941117.db2.gz QBTYYJANCSGMPI-UHFFFAOYSA-N 0 0 302.355 3.877 50 5 DHBARN O=[N+]([O-])c1ccccc1OCCCOc1cccc2cccnc21 ZINC000002991076 563941685 /nfs/dbraw/zinc/94/16/85/563941685.db2.gz RMUJWQCQUNZRSE-UHFFFAOYSA-N 0 0 324.336 3.991 50 5 DHBARN O=Cc1ccc(-c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)o1 ZINC000004099831 563945142 /nfs/dbraw/zinc/94/51/42/563945142.db2.gz OWOOITRODDADAJ-UHFFFAOYSA-N 0 0 300.314 3.658 50 5 DHBARN Cc1ccc(CNc2nc3ccc([N+](=O)[O-])cc3s2)cn1 ZINC000066453955 563946445 /nfs/dbraw/zinc/94/64/45/563946445.db2.gz YRRTXFURDRSETM-UHFFFAOYSA-N 0 0 300.343 3.520 50 5 DHBARN CNc1ccc(-c2nc(-c3ccccc3C)no2)cc1[N+](=O)[O-] ZINC000008587073 563949225 /nfs/dbraw/zinc/94/92/25/563949225.db2.gz GAHFEHGCCFUKEJ-UHFFFAOYSA-N 0 0 310.313 3.662 50 5 DHBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000008751805 563950545 /nfs/dbraw/zinc/95/05/45/563950545.db2.gz ASPQZAUWKRWUNJ-UHFFFAOYSA-N 0 0 312.659 3.779 50 5 DHBARN CC(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2)cc1[N+](=O)[O-] ZINC000009470660 563956160 /nfs/dbraw/zinc/95/61/60/563956160.db2.gz MOIGYJVHEWSTDD-MRXNPFEDSA-N 0 0 311.341 3.572 50 5 DHBARN Cc1nn(Cc2csc(-c3cccs3)n2)c(C)c1[N+](=O)[O-] ZINC000009724695 563957608 /nfs/dbraw/zinc/95/76/08/563957608.db2.gz JZJDSLJEJCSAOM-UHFFFAOYSA-N 0 0 320.399 3.641 50 5 DHBARN Cc1ccc2cc3cnn(-c4ccc([N+](=O)[O-])cc4)c3nc2c1 ZINC000009781713 563957844 /nfs/dbraw/zinc/95/78/44/563957844.db2.gz NEUSDGDITJSFKV-UHFFFAOYSA-N 0 0 304.309 3.790 50 5 DHBARN C[C@@H](CCc1ccccc1)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000000463637 1019923664 /nfs/dbraw/zinc/92/36/64/1019923664.db2.gz DUKYUTFWQHDVJZ-BUYIWHAFSA-N 0 0 324.380 3.746 50 5 DHBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1F ZINC000000461614 1019925601 /nfs/dbraw/zinc/92/56/01/1019925601.db2.gz KUUJSMMSFUQSRH-UHFFFAOYSA-N 0 0 308.696 3.569 50 5 DHBARN O=C1OC(/C=C\c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1ccccc1 ZINC000033499347 1021485995 /nfs/dbraw/zinc/48/59/95/1021485995.db2.gz QFZWSPMUAVAFGU-HLHGXTSASA-N 0 0 320.304 3.604 50 5 DHBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)C1CC1 ZINC000025053713 1023015814 /nfs/dbraw/zinc/01/58/14/1023015814.db2.gz PGGQXMNCYQXWBY-JLHYYAGUSA-N 0 0 322.364 3.799 50 5 DHBARN Cc1noc([N+](=O)[O-])c1/C=C\c1c(C)nn(-c2ccccc2)c1C ZINC000015686445 1026745364 /nfs/dbraw/zinc/74/53/64/1026745364.db2.gz FYCDWZCJJBVSQK-KTKRTIGZSA-N 0 0 324.340 3.864 50 5 DHBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)N[C@H]1CCCc2ccccc21 ZINC000035681668 1031886265 /nfs/dbraw/zinc/88/62/65/1031886265.db2.gz RUJLSQUIRLNQJC-JYBLJSLWSA-N 0 0 322.364 3.802 50 5 DHBARN Cc1noc(/C=C/c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000000359544 190613594 /nfs/dbraw/zinc/61/35/94/190613594.db2.gz SMRQMCKIYHUYRB-QPJJXVBHSA-N 0 0 309.119 3.824 50 5 DHBARN CCOc1ccccc1-c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000000466944 190614326 /nfs/dbraw/zinc/61/43/26/190614326.db2.gz VXJPAYBXOWNGNA-UHFFFAOYSA-N 0 0 311.297 3.711 50 5 DHBARN CCOc1ccc(C(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000003515408 190618352 /nfs/dbraw/zinc/61/83/52/190618352.db2.gz VGTAJRQENTUMOJ-GFCCVEGCSA-N 0 0 315.325 3.644 50 5 DHBARN C[C@H](Nc1cnn(CC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000097038449 185401538 /nfs/dbraw/zinc/40/15/38/185401538.db2.gz HWYTYDUZRIAYPD-VIFPVBQESA-N 0 0 314.267 3.527 50 5 DHBARN C[C@H](Nc1ncc([N+](=O)[O-])s1)c1ccc2ncsc2c1 ZINC000253395188 186303957 /nfs/dbraw/zinc/30/39/57/186303957.db2.gz NFRGBCFCKBYFGE-ZETCQYMHSA-N 0 0 306.372 3.834 50 5 DHBARN CCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000102120 180693052 /nfs/dbraw/zinc/69/30/52/180693052.db2.gz IXVKYIWZFKGGIX-UHFFFAOYSA-N 0 0 320.732 3.899 50 5 DHBARN C[C@@H]([C@@H](Sc1ccccc1N)c1ccc(F)cc1)[N+](=O)[O-] ZINC000000101701 180693328 /nfs/dbraw/zinc/69/33/28/180693328.db2.gz IAUBGYJDSOMRFE-ZUZCIYMTSA-N 0 0 306.362 3.907 50 5 DHBARN CCOc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000000303874 180753038 /nfs/dbraw/zinc/75/30/38/180753038.db2.gz QIATUZHDYZWTCN-UHFFFAOYSA-N 0 0 300.314 3.554 50 5 DHBARN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)NC(C)(C)C)o1 ZINC000000442636 180792355 /nfs/dbraw/zinc/79/23/55/180792355.db2.gz GKXPZRDNPOPKEC-UHFFFAOYSA-N 0 0 302.330 3.692 50 5 DHBARN Cc1cccc(OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000000459568 180797172 /nfs/dbraw/zinc/79/71/72/180797172.db2.gz HDZQJNOHAPUYOS-UHFFFAOYSA-N 0 0 311.297 3.532 50 5 DHBARN Cc1cc(Cl)ccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000000461931 180798390 /nfs/dbraw/zinc/79/83/90/180798390.db2.gz CVCLWWKAWLOXPV-UHFFFAOYSA-N 0 0 304.733 3.738 50 5 DHBARN O=C(NCc1ccccc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000000537024 180816840 /nfs/dbraw/zinc/81/68/40/180816840.db2.gz QBHXVQYDLNIZLG-UHFFFAOYSA-N 0 0 322.320 3.785 50 5 DHBARN O=C(CCNc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000002519789 180931356 /nfs/dbraw/zinc/93/13/56/180931356.db2.gz FREUSOCSLXNLCH-UHFFFAOYSA-N 0 0 304.733 3.933 50 5 DHBARN COc1ccc(C=O)cc1COc1ccc([N+](=O)[O-])cc1Cl ZINC000002557851 180935242 /nfs/dbraw/zinc/93/52/42/180935242.db2.gz QTLWVDIJGVEGIO-UHFFFAOYSA-N 0 0 321.716 3.648 50 5 DHBARN C[C@@H]1C[C@@H]1C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 ZINC000003286572 181000336 /nfs/dbraw/zinc/00/03/36/181000336.db2.gz DMSWOIBHKLUPSN-ABAIWWIYSA-N 0 0 308.333 3.645 50 5 DHBARN CCCc1ccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000003896268 181053629 /nfs/dbraw/zinc/05/36/29/181053629.db2.gz OFJIAGIQTVLVBJ-UHFFFAOYSA-N 0 0 314.341 3.808 50 5 DHBARN O=[N+]([O-])c1cccn2cc(-c3ccc(Br)cc3)nc12 ZINC000004024197 181063576 /nfs/dbraw/zinc/06/35/76/181063576.db2.gz KAUMSLOSTWQGCC-UHFFFAOYSA-N 0 0 318.130 3.672 50 5 DHBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1ccncc1 ZINC000004189913 181083267 /nfs/dbraw/zinc/08/32/67/181083267.db2.gz RRUALNCTYINLIR-UHFFFAOYSA-N 0 0 311.263 3.663 50 5 DHBARN O=C(Nc1nc2c(cccc2F)s1)c1ccc([N+](=O)[O-])s1 ZINC000004264236 181089605 /nfs/dbraw/zinc/08/96/05/181089605.db2.gz VUVANQSQUGZASO-UHFFFAOYSA-N 0 0 323.330 3.657 50 5 DHBARN Cc1ccc(CCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000004284101 181093062 /nfs/dbraw/zinc/09/30/62/181093062.db2.gz FIEONRLHPMMOSG-UHFFFAOYSA-N 0 0 308.721 3.721 50 5 DHBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccccc2)c2ncccc12 ZINC000004420688 181109082 /nfs/dbraw/zinc/10/90/82/181109082.db2.gz OYMYKNQSKALPPR-UHFFFAOYSA-N 0 0 310.269 3.795 50 5 DHBARN CC1=C(C)[C@@H](Nc2ccccc2[N+](=O)[O-])N(CCC(C)C)C1=O ZINC000004550253 181123986 /nfs/dbraw/zinc/12/39/86/181123986.db2.gz XFELABUPYOWUCI-INIZCTEOSA-N 0 0 317.389 3.558 50 5 DHBARN CC(=O)c1ccc(NC(=O)c2coc3ccc([N+](=O)[O-])cc23)cc1 ZINC000004743544 181146018 /nfs/dbraw/zinc/14/60/18/181146018.db2.gz KGOJCGJYCHXFFI-UHFFFAOYSA-N 0 0 324.292 3.796 50 5 DHBARN Cc1ccc(OC(=O)Nc2ccc(F)cc2[N+](=O)[O-])cc1C ZINC000004795217 181152328 /nfs/dbraw/zinc/15/23/28/181152328.db2.gz GTBYJDRFOQBABB-UHFFFAOYSA-N 0 0 304.277 3.962 50 5 DHBARN CC(C)CC(=O)Nc1ccc([N+](=O)[O-])c(NC(=O)CC(C)C)c1 ZINC000004823639 181157075 /nfs/dbraw/zinc/15/70/75/181157075.db2.gz YEPRRXQOVLEANI-UHFFFAOYSA-N 0 0 321.377 3.564 50 5 DHBARN COc1c(C)cccc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004841042 181160683 /nfs/dbraw/zinc/16/06/83/181160683.db2.gz ZABVZTSLMPKHSI-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(F)c(F)cc1Cl ZINC000004947775 181178289 /nfs/dbraw/zinc/17/82/89/181178289.db2.gz UGCCSUWFXDTOPB-UHFFFAOYSA-N 0 0 312.659 3.779 50 5 DHBARN O=[N+]([O-])c1ccc(N2CCCCCC2)c(F)c1Br ZINC000005073459 181201111 /nfs/dbraw/zinc/20/11/11/181201111.db2.gz KOVNGCZLJYHXRD-UHFFFAOYSA-N 0 0 317.158 3.877 50 5 DHBARN CC(C)COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005073209 181201145 /nfs/dbraw/zinc/20/11/45/181201145.db2.gz RZZMABKLIKFXSV-UHFFFAOYSA-N 0 0 314.341 3.882 50 5 DHBARN CN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc21 ZINC000005155671 181210873 /nfs/dbraw/zinc/21/08/73/181210873.db2.gz SXNQYALCIJOYAW-WQLSENKSSA-N 0 0 314.728 3.765 50 5 DHBARN O=C(N[C@@H]1CCSc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000005425410 181242046 /nfs/dbraw/zinc/24/20/46/181242046.db2.gz KZFWFXRHLPMBCD-CQSZACIVSA-N 0 0 314.366 3.562 50 5 DHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@H]1CCCc2ccccc21 ZINC000005442975 181244073 /nfs/dbraw/zinc/24/40/73/181244073.db2.gz RUJLSQUIRLNQJC-DXRVJIQQSA-N 0 0 322.364 3.802 50 5 DHBARN Cc1nn(Cc2csc(-c3ccccc3)n2)c(C)c1[N+](=O)[O-] ZINC000005797520 181284967 /nfs/dbraw/zinc/28/49/67/181284967.db2.gz GGZDLQIOXDMWMW-UHFFFAOYSA-N 0 0 314.370 3.580 50 5 DHBARN O=[N+]([O-])c1cn(CCCc2ccccc2)nc1-c1nccs1 ZINC000241961364 202469453 /nfs/dbraw/zinc/46/94/53/202469453.db2.gz URUGSKKSEYXDFN-UHFFFAOYSA-N 0 0 314.370 3.548 50 5 DHBARN Cc1ccc(NC(=O)CNc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000006602335 181360245 /nfs/dbraw/zinc/36/02/45/181360245.db2.gz KHWFMZMOGQBPDP-UHFFFAOYSA-N 0 0 319.748 3.607 50 5 DHBARN COc1ccc(NC(=O)CSC2CCCCC2)c([N+](=O)[O-])c1 ZINC000006658394 181366710 /nfs/dbraw/zinc/36/67/10/181366710.db2.gz IIEVDCZAISWHEH-UHFFFAOYSA-N 0 0 324.402 3.608 50 5 DHBARN Cc1c(C)n(C[C@H]2CCCO2)c2ncn3c4ccccc4nc3c12 ZINC000006664994 181367197 /nfs/dbraw/zinc/36/71/97/181367197.db2.gz SLRVVKNXSBSUAA-CQSZACIVSA-N 0 0 320.396 3.633 50 5 DHBARN CCN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000006779356 181386554 /nfs/dbraw/zinc/38/65/54/181386554.db2.gz JHICOGMWOHQOSL-VAWYXSNFSA-N 0 0 302.374 3.789 50 5 DHBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccccc1F ZINC000007068014 181437054 /nfs/dbraw/zinc/43/70/54/181437054.db2.gz IDSJVYLTSKPILR-LLVKDONJSA-N 0 0 302.305 3.567 50 5 DHBARN O=[N+]([O-])c1ccccc1-n1nc(C(F)(F)F)c2c1CCCC2 ZINC000012396598 181756517 /nfs/dbraw/zinc/75/65/17/181756517.db2.gz ZWBXWNKDLVEDKZ-UHFFFAOYSA-N 0 0 311.263 3.678 50 5 DHBARN C[C@@H](Sc1nnc(-c2ccc[nH]2)o1)c1cccc([N+](=O)[O-])c1 ZINC000014226577 181939689 /nfs/dbraw/zinc/93/96/89/181939689.db2.gz JNHIDVNMADBEOP-SECBINFHSA-N 0 0 316.342 3.826 50 5 DHBARN COC(=O)c1c(C)nc2ccc([N+](=O)[O-])cc2c1-c1ccccc1 ZINC000015454007 182003025 /nfs/dbraw/zinc/00/30/25/182003025.db2.gz MRSUSFZYMBZNPB-UHFFFAOYSA-N 0 0 322.320 3.905 50 5 DHBARN Cc1ccccc1Nc1nc(=O)c2cc([N+](=O)[O-])ccc2s1 ZINC000018140501 182094793 /nfs/dbraw/zinc/09/47/93/182094793.db2.gz ZEBLEPFDVQLNEW-UHFFFAOYSA-N 0 0 313.338 3.617 50 5 DHBARN CNc1ccc(-c2nc(-c3cccc(C)c3)no2)cc1[N+](=O)[O-] ZINC000020897647 182252374 /nfs/dbraw/zinc/25/23/74/182252374.db2.gz GJCKWHRXUZTJSX-UHFFFAOYSA-N 0 0 310.313 3.662 50 5 DHBARN C[C@H](Nc1ncccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000022806271 182335803 /nfs/dbraw/zinc/33/58/03/182335803.db2.gz WYCLADRGVCLADY-VIFPVBQESA-N 0 0 322.162 3.925 50 5 DHBARN CC1=C(c2ccc([N+](=O)[O-])cc2)C(=O)OC1=CNc1ccccc1 ZINC000100101270 193794848 /nfs/dbraw/zinc/79/48/48/193794848.db2.gz OQERLPZXMCMVKT-WJDWOHSUSA-N 0 0 322.320 3.879 50 5 DHBARN O=[N+]([O-])c1ccc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000100715210 193803176 /nfs/dbraw/zinc/80/31/76/193803176.db2.gz DDTRLMDSONLQAQ-UHFFFAOYSA-N 0 0 321.270 3.562 50 5 DHBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)cc1 ZINC000033305712 182701939 /nfs/dbraw/zinc/70/19/39/182701939.db2.gz ZJQDYRDVDWOKQF-KMKOMSMNSA-N 0 0 303.701 3.867 50 5 DHBARN CC(C)(CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000036395860 182824942 /nfs/dbraw/zinc/82/49/42/182824942.db2.gz JGYUOSKXEKEYPN-UHFFFAOYSA-N 0 0 313.357 3.694 50 5 DHBARN CC(C)NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000040127976 183038524 /nfs/dbraw/zinc/03/85/24/183038524.db2.gz RDUIBSSZFKRHIT-UHFFFAOYSA-N 0 0 300.314 3.525 50 5 DHBARN O=[N+]([O-])c1ccc(Sc2nnc(-c3cccs3)o2)c(F)c1 ZINC000042096782 183232621 /nfs/dbraw/zinc/23/26/21/183232621.db2.gz QXJNZSLIRBGADY-UHFFFAOYSA-N 0 0 323.330 3.997 50 5 DHBARN CC(C)(C)OC(=O)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000061997384 184200632 /nfs/dbraw/zinc/20/06/32/184200632.db2.gz VALNWXMPJVPVLQ-UHFFFAOYSA-N 0 0 317.139 3.704 50 5 DHBARN C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@@H](c2ccccc2)O1 ZINC000063587633 184285401 /nfs/dbraw/zinc/28/54/01/184285401.db2.gz IDIFVISGSORTQY-DOMZBBRYSA-N 0 0 318.398 3.618 50 5 DHBARN O=[N+]([O-])c1ccc(OCCCOc2ccc3ncccc3c2)cc1 ZINC000065205837 184314603 /nfs/dbraw/zinc/31/46/03/184314603.db2.gz KSNZIUCXMOKPRL-UHFFFAOYSA-N 0 0 324.336 3.991 50 5 DHBARN C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000065603984 184371721 /nfs/dbraw/zinc/37/17/21/184371721.db2.gz QZIVCTMCCVQBAW-BXKDBHETSA-N 0 0 311.769 3.948 50 5 DHBARN CC(C)(CNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1cccs1 ZINC000130624853 256586563 /nfs/dbraw/zinc/58/65/63/256586563.db2.gz QLFMJDUMMUAUJC-UHFFFAOYSA-N 0 0 322.361 3.503 50 5 DHBARN Cc1nc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2s1 ZINC000006852248 257267953 /nfs/dbraw/zinc/26/79/53/257267953.db2.gz IHEVOWMRSWTYFR-UHFFFAOYSA-N 0 0 313.338 3.765 50 5 DHBARN COC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)c1ccccc1C ZINC000012731004 257268354 /nfs/dbraw/zinc/26/83/54/257268354.db2.gz KLCGTUQVQGZMAI-LBPRGKRZSA-N 0 0 314.341 3.863 50 5 DHBARN Cc1cccc([C@@H]2CCCN2c2nc3ccccn3c2[N+](=O)[O-])c1 ZINC000071970477 184915567 /nfs/dbraw/zinc/91/55/67/184915567.db2.gz BNBNVIZFIHULAC-HNNXBMFYSA-N 0 0 322.368 3.892 50 5 DHBARN CC1CCN(c2cc(N3CCCCC3)c([N+](=O)[O-])cc2F)CC1 ZINC000004192053 134458814 /nfs/dbraw/zinc/45/88/14/134458814.db2.gz IUUFDPKWMIKGRR-UHFFFAOYSA-N 0 0 321.396 3.961 50 5 DHBARN CCCOc1ccc([N+](=O)[O-])cc1C=C1SC(=S)NC1=O ZINC000015016456 563651756 /nfs/dbraw/zinc/65/17/56/563651756.db2.gz FRSXDOOBAMHRLV-XFFZJAGNSA-N 0 0 324.383 3.713 50 5 DHBARN Cc1cc(Br)cc([N+](=O)[O-])c1OCc1ccccn1 ZINC000075109002 563860312 /nfs/dbraw/zinc/86/03/12/563860312.db2.gz FRNDZSVIFYKMDF-UHFFFAOYSA-N 0 0 323.146 3.640 50 5 DHBARN Cc1ccc(NC(=O)Nc2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000003091397 563942068 /nfs/dbraw/zinc/94/20/68/563942068.db2.gz YPXWFAPFLZAIEV-UHFFFAOYSA-N 0 0 306.709 3.596 50 5 DHBARN CNc1ccc(C(=O)Nc2cc(Cl)ccc2F)cc1[N+](=O)[O-] ZINC000032978668 563457104 /nfs/dbraw/zinc/45/71/04/563457104.db2.gz XSFDOXCZFLXVJG-UHFFFAOYSA-N 0 0 323.711 3.681 50 5 DHBARN Cc1cc(C(=O)NCC2(c3ccccc3)CCC2)ccc1[N+](=O)[O-] ZINC000011178616 563478915 /nfs/dbraw/zinc/47/89/15/563478915.db2.gz VQAVNBDDIHCPKE-UHFFFAOYSA-N 0 0 324.380 3.755 50 5 DHBARN CCOc1cc(N[C@H](C)c2csc(C)n2)ccc1[N+](=O)[O-] ZINC000096453669 563482997 /nfs/dbraw/zinc/48/29/97/563482997.db2.gz SODRRACKBCTTRI-SECBINFHSA-N 0 0 307.375 3.932 50 5 DHBARN Cc1c(C(=O)Oc2cccc3cccnc32)cccc1[N+](=O)[O-] ZINC000000063730 563515847 /nfs/dbraw/zinc/51/58/47/563515847.db2.gz CUSNXHYJUYQOIV-UHFFFAOYSA-N 0 0 308.293 3.671 50 5 DHBARN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000000059904 563516263 /nfs/dbraw/zinc/51/62/63/563516263.db2.gz JNRQZCHUUNJVPB-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN COc1ccc(-c2noc(-c3ccc([N+](=O)[O-])c(C)c3)n2)cc1 ZINC000000087952 563524258 /nfs/dbraw/zinc/52/42/58/563524258.db2.gz HMASMXIMSMZXNJ-UHFFFAOYSA-N 0 0 311.297 3.629 50 5 DHBARN Cc1cc(Cl)ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000000145219 563572710 /nfs/dbraw/zinc/57/27/10/563572710.db2.gz ITHUUEAWRUKNIH-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN Cc1sc2ncnc(Nc3cccc([N+](=O)[O-])c3)c2c1C ZINC000000215463 563578451 /nfs/dbraw/zinc/57/84/51/563578451.db2.gz DPURRUMUBWCXQQ-UHFFFAOYSA-N 0 0 300.343 3.960 50 5 DHBARN O=c1c2ccccc2c2ccccc2c(=O)n1-c1cccc(F)c1 ZINC000000211409 563578504 /nfs/dbraw/zinc/57/85/04/563578504.db2.gz BBZZCUUHXBBHOE-UHFFFAOYSA-N 0 0 317.319 3.643 50 5 DHBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2ccccc2cc1O ZINC000000247785 563580854 /nfs/dbraw/zinc/58/08/54/563580854.db2.gz YZJSKRBKHCLMQC-UHFFFAOYSA-N 0 0 308.293 3.706 50 5 DHBARN O=[N+]([O-])c1ccc(-c2cn3cc(Br)ccc3n2)cc1 ZINC000000296701 563584738 /nfs/dbraw/zinc/58/47/38/563584738.db2.gz AADWKSKCFXJLFW-UHFFFAOYSA-N 0 0 318.130 3.672 50 5 DHBARN O=C(Nc1ccccc1Br)c1ccccc1[N+](=O)[O-] ZINC000000293732 563584746 /nfs/dbraw/zinc/58/47/46/563584746.db2.gz MJHAEGSFZZCGQI-UHFFFAOYSA-N 0 0 321.130 3.610 50 5 DHBARN CCOc1ccc(C(=O)Nc2ccccc2C)cc1[N+](=O)[O-] ZINC000000293826 563584787 /nfs/dbraw/zinc/58/47/87/563584787.db2.gz ANAQSQNDLNZSNG-UHFFFAOYSA-N 0 0 300.314 3.554 50 5 DHBARN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000000306658 563586703 /nfs/dbraw/zinc/58/67/03/563586703.db2.gz QSXMSTSABYAGEI-JTQLQIEISA-N 0 0 304.733 3.739 50 5 DHBARN CC(C)Oc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000000373690 563591307 /nfs/dbraw/zinc/59/13/07/563591307.db2.gz POFLQVOTXOSVGQ-UHFFFAOYSA-N 0 0 318.304 3.773 50 5 DHBARN Cc1cccc(-c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)n[nH]2)c1 ZINC000000378249 563591317 /nfs/dbraw/zinc/59/13/17/563591317.db2.gz KJMMRLDLGFRCHQ-UHFFFAOYSA-N 0 0 322.324 3.546 50 5 DHBARN O=[N+]([O-])c1ccccc1CNc1ccc(Br)cc1 ZINC000000438690 563613892 /nfs/dbraw/zinc/61/38/92/563613892.db2.gz RYAGDTNOLBEPAB-UHFFFAOYSA-N 0 0 307.147 3.969 50 5 DHBARN CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1[N+](=O)[O-] ZINC000000452545 563615750 /nfs/dbraw/zinc/61/57/50/563615750.db2.gz YCZPCEOTUDNYNA-UHFFFAOYSA-N 0 0 314.341 3.808 50 5 DHBARN CCN(CC)c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)c(C)c1 ZINC000000557437 563669507 /nfs/dbraw/zinc/66/95/07/563669507.db2.gz HQRPZJRFYHMNFI-UHFFFAOYSA-N 0 0 317.345 3.595 50 5 DHBARN O=C(Nc1nccs1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000003265584 563800495 /nfs/dbraw/zinc/80/04/95/563800495.db2.gz IYDQBPAGCYAERP-UHFFFAOYSA-N 0 0 305.340 3.518 50 5 DHBARN O=[N+]([O-])c1cccnc1N[C@H]1CCSc2ccc(F)cc21 ZINC000012682554 563809998 /nfs/dbraw/zinc/80/99/98/563809998.db2.gz OWELKMBJWVOFBZ-NSHDSACASA-N 0 0 305.334 3.778 50 5 DHBARN C[C@@H](CNc1ccc([N+](=O)[O-])cn1)c1nc2ccccc2s1 ZINC000084640131 563829061 /nfs/dbraw/zinc/82/90/61/563829061.db2.gz WBDLWYPDMJSCBY-JTQLQIEISA-N 0 0 314.370 3.815 50 5 DHBARN CC(C)c1noc(-c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 ZINC000015833924 563847360 /nfs/dbraw/zinc/84/73/60/563847360.db2.gz MWEFHASUKKKDJG-UHFFFAOYSA-N 0 0 316.361 3.759 50 5 DHBARN O=[N+]([O-])c1cc(Cl)ccc1Oc1nccc(C(F)(F)F)n1 ZINC000012905335 563853438 /nfs/dbraw/zinc/85/34/38/563853438.db2.gz IYNCTMRRIJUQPV-UHFFFAOYSA-N 0 0 319.626 3.849 50 5 DHBARN COc1c(NC(=O)Nc2ccccc2C)cccc1[N+](=O)[O-] ZINC000001732587 563870405 /nfs/dbraw/zinc/87/04/05/563870405.db2.gz UPWKFCWPTVUYEY-UHFFFAOYSA-N 0 0 301.302 3.556 50 5 DHBARN CC1(C)C[C@]2(O[C@@H]2c2cccc([N+](=O)[O-])c2)C(=O)c2ccccc21 ZINC000001744778 563874509 /nfs/dbraw/zinc/87/45/09/563874509.db2.gz IDDOVPNRRHNRRQ-MJGOQNOKSA-N 0 0 323.348 3.969 50 5 DHBARN COC(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000001761925 563878041 /nfs/dbraw/zinc/87/80/41/563878041.db2.gz HPNHVTPCVGPQIC-UHFFFAOYSA-N 0 0 321.716 3.614 50 5 DHBARN C[C@@H](Nc1c([N+](=O)[O-])ncn1C)c1ccc(C(F)(F)F)cc1 ZINC000026774975 563882002 /nfs/dbraw/zinc/88/20/02/563882002.db2.gz JBGZHAXDBDBMHF-MRVPVSSYSA-N 0 0 314.267 3.520 50 5 DHBARN Cc1nnc(Sc2ccc([N+](=O)[O-])c(OC(F)F)c2)s1 ZINC000092582386 563882997 /nfs/dbraw/zinc/88/29/97/563882997.db2.gz NJFOIOZSQNNESU-UHFFFAOYSA-N 0 0 319.314 3.507 50 5 DHBARN O=[N+]([O-])c1c(N[C@H](c2ccccc2)C2CC2)nc2ccccn21 ZINC000054370722 563891564 /nfs/dbraw/zinc/89/15/64/563891564.db2.gz FWLWITKGPDEKPJ-OAHLLOKOSA-N 0 0 308.341 3.806 50 5 DHBARN O=[N+]([O-])c1cccc(Br)c1OCCC(F)(F)F ZINC000169725450 563895808 /nfs/dbraw/zinc/89/58/08/563895808.db2.gz LYISPZLFPCBYIR-UHFFFAOYSA-N 0 0 314.057 3.689 50 5 DHBARN O=[N+]([O-])c1cc(Br)ccc1N1CCC(F)(F)CC1 ZINC000169725429 563895977 /nfs/dbraw/zinc/89/59/77/563895977.db2.gz IIZSZVRDBKMYLZ-UHFFFAOYSA-N 0 0 321.121 3.593 50 5 DHBARN Cc1cccc(C(=O)N[C@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC000006868226 563897367 /nfs/dbraw/zinc/89/73/67/563897367.db2.gz IUJIAFIGWFWHHX-INIZCTEOSA-N 0 0 310.353 3.711 50 5 DHBARN CC(=O)c1ccc(N[C@@H]2CCOc3ccccc32)c([N+](=O)[O-])c1 ZINC000007186703 563904352 /nfs/dbraw/zinc/90/43/52/563904352.db2.gz FOGSRTNXCKQSPT-CQSZACIVSA-N 0 0 312.325 3.733 50 5 DHBARN CCc1ccc(N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000007240428 563904811 /nfs/dbraw/zinc/90/48/11/563904811.db2.gz LRRRIMKYQQOXSJ-GFCCVEGCSA-N 0 0 313.357 3.596 50 5 DHBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(F)cc1)C1CC1 ZINC000014391967 563910603 /nfs/dbraw/zinc/91/06/03/563910603.db2.gz XSAAWTUMPIIWKF-UHFFFAOYSA-N 0 0 314.316 3.539 50 5 DHBARN O=[N+]([O-])c1cccc(NCn2c3ccccc3oc2=S)c1 ZINC000002164420 563916508 /nfs/dbraw/zinc/91/65/08/563916508.db2.gz XXPDOOSHVSTWKC-UHFFFAOYSA-N 0 0 301.327 3.942 50 5 DHBARN CCCCc1nc2sc3c(ncn4ncnc34)c2c2c1CCC2 ZINC000002224569 563919950 /nfs/dbraw/zinc/91/99/50/563919950.db2.gz ZZRIVPAVRJUMPB-UHFFFAOYSA-N 0 0 323.425 3.719 50 5 DHBARN CC(=O)c1ccc(N2CCC[C@@H]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000054838568 563920795 /nfs/dbraw/zinc/92/07/95/563920795.db2.gz RYANIBAGGKAAFA-OAHLLOKOSA-N 0 0 302.374 3.956 50 5 DHBARN COc1ccc(C)cc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000002839721 563940888 /nfs/dbraw/zinc/94/08/88/563940888.db2.gz ZMPHHPZYDBSLJY-LBPRGKRZSA-N 0 0 314.341 3.654 50 5 DHBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c2cccnc12 ZINC000031091711 563944250 /nfs/dbraw/zinc/94/42/50/563944250.db2.gz SDZCMEDBMYLSCU-UHFFFAOYSA-N 0 0 307.309 3.704 50 5 DHBARN Cc1oc(-c2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)NC(C)C ZINC000008021240 563946267 /nfs/dbraw/zinc/94/62/67/563946267.db2.gz DXVLUXDCWVLZJD-UHFFFAOYSA-N 0 0 322.748 3.955 50 5 DHBARN CCc1noc(-c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000008587135 563949185 /nfs/dbraw/zinc/94/91/85/563949185.db2.gz NNNSSLIJVVKMMJ-UHFFFAOYSA-N 0 0 324.340 3.819 50 5 DHBARN CCCOc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000008560944 563949227 /nfs/dbraw/zinc/94/92/27/563949227.db2.gz LONFNHKOWVSXHA-UHFFFAOYSA-N 0 0 314.341 3.944 50 5 DHBARN CCOCc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000069777553 563954504 /nfs/dbraw/zinc/95/45/04/563954504.db2.gz NWOIFENGVGDMON-UHFFFAOYSA-N 0 0 318.304 3.523 50 5 DHBARN COc1cc(/C=C/[N+](=O)[O-])cc(OCc2ccccc2)c1OC ZINC000003122432 568416842 /nfs/dbraw/zinc/41/68/42/568416842.db2.gz QSBJLFLUOPLMRO-CMDGGOBGSA-N 0 0 315.325 3.530 50 5 DHBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1ccccc1Cl ZINC000033285295 1021233297 /nfs/dbraw/zinc/23/32/97/1021233297.db2.gz ASWCHXLMADGNSY-HJWRWDBZSA-N 0 0 302.717 3.900 50 5 DHBARN CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000027818454 1024102625 /nfs/dbraw/zinc/10/26/25/1024102625.db2.gz DSQDMELWPLDVCC-IYPOZPNPSA-N 0 0 322.364 3.754 50 5 DHBARN O=C(Nc1nc(C2CC2)cs1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000025560045 1025224320 /nfs/dbraw/zinc/22/43/20/1025224320.db2.gz GDBBNDLXKJLLBV-UHFFFAOYSA-N 0 0 323.761 3.834 50 5 DHBARN COc1ccc(/C=C\c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000017160710 1027518138 /nfs/dbraw/zinc/51/81/38/1027518138.db2.gz ZZFDGUCCHZJOQB-DJWKRKHSSA-N 0 0 300.270 3.682 50 5 DHBARN CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000090466186 185297842 /nfs/dbraw/zinc/29/78/42/185297842.db2.gz UYCCXRSHNBFZTJ-ZNMIVQPWSA-N 0 0 314.341 3.559 50 5 DHBARN O=C(Cc1ccc(Cl)cc1)OCc1ccc([N+](=O)[O-])cc1 ZINC000000466876 190614190 /nfs/dbraw/zinc/61/41/90/190614190.db2.gz JQYNILJOANXEJJ-UHFFFAOYSA-N 0 0 305.717 3.534 50 5 DHBARN COc1cc(N[C@@H](C)c2c(C)noc2C)c(F)cc1[N+](=O)[O-] ZINC000097032680 185399444 /nfs/dbraw/zinc/39/94/44/185399444.db2.gz GOGURYFNQXPHEP-ZETCQYMHSA-N 0 0 309.297 3.520 50 5 DHBARN O=[N+]([O-])c1cccc(Br)c1N1CCCC(F)(F)C1 ZINC000169725445 197748084 /nfs/dbraw/zinc/74/80/84/197748084.db2.gz BWAFGDCYZOREFW-UHFFFAOYSA-N 0 0 321.121 3.593 50 5 DHBARN O=[N+]([O-])c1c(N2CCC[C@@]3(CC=CCC3)C2)nc2sccn21 ZINC000170626879 197795026 /nfs/dbraw/zinc/79/50/26/197795026.db2.gz DTJIYBDNSFQYBV-HNNXBMFYSA-N 0 0 318.402 3.631 50 5 DHBARN CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000000310422 180755295 /nfs/dbraw/zinc/75/52/95/180755295.db2.gz RQPGAZUJOYLGCZ-UHFFFAOYSA-N 0 0 322.267 3.524 50 5 DHBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(Cc2ccccc2)CC1 ZINC000000327259 180760092 /nfs/dbraw/zinc/76/00/92/180760092.db2.gz PWAXALXCQOHMEG-UHFFFAOYSA-N 0 0 324.380 3.690 50 5 DHBARN CCc1cccc(CC)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000000476692 180803098 /nfs/dbraw/zinc/80/30/98/180803098.db2.gz ZXPKVKBQWMWRFH-UHFFFAOYSA-N 0 0 312.369 3.901 50 5 DHBARN COc1ccc(NC(=O)Nc2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000002166231 180913484 /nfs/dbraw/zinc/91/34/84/180913484.db2.gz RVZUQDHUEXHXFT-UHFFFAOYSA-N 0 0 323.255 3.526 50 5 DHBARN O=[N+]([O-])c1ccc(SCCNc2ccccc2)c([N+](=O)[O-])c1 ZINC000002831228 180962325 /nfs/dbraw/zinc/96/23/25/180962325.db2.gz PPHXZERWROISJB-UHFFFAOYSA-N 0 0 319.342 3.707 50 5 DHBARN Cc1ccc(OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000002828962 180962338 /nfs/dbraw/zinc/96/23/38/180962338.db2.gz VEZCKGYYZCOTGQ-UHFFFAOYSA-N 0 0 314.341 3.538 50 5 DHBARN O=[N+]([O-])c1ccc(-c2noc3cc(C(F)(F)F)cnc32)cc1 ZINC000003134954 180984848 /nfs/dbraw/zinc/98/48/48/180984848.db2.gz YEQXEBIFBRVPKU-UHFFFAOYSA-N 0 0 309.203 3.817 50 5 DHBARN CCc1cccc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000003286304 181000007 /nfs/dbraw/zinc/00/00/07/181000007.db2.gz WYTYZYVHODZZKY-UHFFFAOYSA-N 0 0 315.325 3.603 50 5 DHBARN CC(=O)c1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003294555 181001506 /nfs/dbraw/zinc/00/15/06/181001506.db2.gz TVRXBCVBBMTRQI-UHFFFAOYSA-N 0 0 318.716 3.703 50 5 DHBARN CCOc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000003333615 181006892 /nfs/dbraw/zinc/00/68/92/181006892.db2.gz FAHHXAOTYSJDSA-UHFFFAOYSA-N 0 0 321.716 3.866 50 5 DHBARN Cc1ccc(CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1C ZINC000003408810 181016542 /nfs/dbraw/zinc/01/65/42/181016542.db2.gz ZSRNZTAANMDNBS-UHFFFAOYSA-N 0 0 302.305 3.532 50 5 DHBARN CSc1ccc(C(=O)Nc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000003553819 181033979 /nfs/dbraw/zinc/03/39/79/181033979.db2.gz JBKVZRIGVOPSQL-UHFFFAOYSA-N 0 0 324.308 3.847 50 5 DHBARN CCOC(=O)c1ccc(Nc2nc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000003880514 181051480 /nfs/dbraw/zinc/05/14/80/181051480.db2.gz HBFPKZBQLSQZEG-UHFFFAOYSA-N 0 0 321.720 3.564 50 5 DHBARN Cc1ccc2nc(/C=C/c3ccc([N+](=O)[O-])cc3)oc(=O)c2c1 ZINC000003892218 181053169 /nfs/dbraw/zinc/05/31/69/181053169.db2.gz OSEUZWLIUBWGDN-WEVVVXLNSA-N 0 0 308.293 3.575 50 5 DHBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCCCC1 ZINC000003897174 181054484 /nfs/dbraw/zinc/05/44/84/181054484.db2.gz HAQGMURTUIXVBD-UHFFFAOYSA-N 0 0 319.239 3.512 50 5 DHBARN O=C(CC(=O)c1cccs1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000003902748 181054962 /nfs/dbraw/zinc/05/49/62/181054962.db2.gz LLKVMHLCIDNLQH-UHFFFAOYSA-N 0 0 324.745 3.521 50 5 DHBARN N=c1oc2ccc3ccccc3c2cc1C(=O)NC1CCCC1 ZINC000004651321 181132042 /nfs/dbraw/zinc/13/20/42/181132042.db2.gz BBLRVVJBMWXIIJ-UHFFFAOYSA-N 0 0 306.365 3.738 50 5 DHBARN O=[N+]([O-])c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000004677387 181135335 /nfs/dbraw/zinc/13/53/35/181135335.db2.gz ROTGZZCTQVRBMT-UHFFFAOYSA-N 0 0 301.689 3.965 50 5 DHBARN Cc1cc(C)n(-c2cc(N3CCCCCC3)ccc2[N+](=O)[O-])n1 ZINC000004688272 181136952 /nfs/dbraw/zinc/13/69/52/181136952.db2.gz YXTIUSWPJDGSTG-UHFFFAOYSA-N 0 0 314.389 3.778 50 5 DHBARN Cc1ccc(NC(=O)Nc2ccc(N(C)C)cc2)c([N+](=O)[O-])c1 ZINC000004765499 181149878 /nfs/dbraw/zinc/14/98/78/181149878.db2.gz ZQUPAMOQSBEXII-UHFFFAOYSA-N 0 0 314.345 3.613 50 5 DHBARN Cc1ccc(NC(=O)CSc2ccccc2)c([N+](=O)[O-])c1 ZINC000004825348 181157344 /nfs/dbraw/zinc/15/73/44/181157344.db2.gz YVHQDULDGFERJY-UHFFFAOYSA-N 0 0 302.355 3.634 50 5 DHBARN O=C(NC1CCCCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000004839214 181160241 /nfs/dbraw/zinc/16/02/41/181160241.db2.gz NBZCDNPZCJITJQ-UHFFFAOYSA-N 0 0 314.341 3.917 50 5 DHBARN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OC ZINC000004865795 181164964 /nfs/dbraw/zinc/16/49/64/181164964.db2.gz YCZQGAAYDIXGRF-UHFFFAOYSA-N 0 0 322.748 3.878 50 5 DHBARN CCc1ccccc1NC(=O)c1noc(C(C)C)c1[N+](=O)[O-] ZINC000004937479 181175644 /nfs/dbraw/zinc/17/56/44/181175644.db2.gz OZUNLOODDFPJET-UHFFFAOYSA-N 0 0 303.318 3.521 50 5 DHBARN O=[N+]([O-])c1ccc(Cc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000004928139 181174370 /nfs/dbraw/zinc/17/43/70/181174370.db2.gz LUANQYDQWJBJTD-UHFFFAOYSA-N 0 0 315.716 3.889 50 5 DHBARN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2C)ccc1OC ZINC000004982206 181183866 /nfs/dbraw/zinc/18/38/66/181183866.db2.gz NEPPJBOTHFKHIT-UHFFFAOYSA-N 0 0 316.357 3.923 50 5 DHBARN Cc1ccc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1C ZINC000005017017 181190927 /nfs/dbraw/zinc/19/09/27/181190927.db2.gz GIXHLQBRVULMTJ-UHFFFAOYSA-N 0 0 316.382 3.942 50 5 DHBARN CCc1cccc(NC(=O)CSc2ccsc2[N+](=O)[O-])c1 ZINC000005136418 181207923 /nfs/dbraw/zinc/20/79/23/181207923.db2.gz DWFZZGOSNZOEKO-UHFFFAOYSA-N 0 0 322.411 3.950 50 5 DHBARN COc1ccc(NC(=O)c2cccc(SC)c2)c([N+](=O)[O-])c1 ZINC000005222668 181218279 /nfs/dbraw/zinc/21/82/79/181218279.db2.gz VHSJUOYQTHVKJR-UHFFFAOYSA-N 0 0 318.354 3.578 50 5 DHBARN O=C1c2ccccc2CC[C@]12N=NC[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000005253038 181222332 /nfs/dbraw/zinc/22/23/32/181222332.db2.gz ACCOTTALHJCHOV-SJLPKXTDSA-N 0 0 321.336 3.712 50 5 DHBARN Cc1cc(OCC(=O)N[C@H](C)CCCC(C)C)ccc1[N+](=O)[O-] ZINC000007549554 181474659 /nfs/dbraw/zinc/47/46/59/181474659.db2.gz NBXFPXSMOBSGTG-CQSZACIVSA-N 0 0 322.405 3.613 50 5 DHBARN CCCOC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000016222385 182037451 /nfs/dbraw/zinc/03/74/51/182037451.db2.gz LBGSAEVGRQNNCS-UHFFFAOYSA-N 0 0 314.341 3.774 50 5 DHBARN C[C@@H]1C[C@H](C)CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000017032382 182069702 /nfs/dbraw/zinc/06/97/02/182069702.db2.gz RTEBSOYOPFEXJX-AOOOYVTPSA-N 0 0 311.769 3.758 50 5 DHBARN O=[N+]([O-])c1ccc(Cl)c(CN2CCc3ccccc3C2)c1 ZINC000019537656 182129057 /nfs/dbraw/zinc/12/90/57/182129057.db2.gz HMGBGNSVQQIZEV-UHFFFAOYSA-N 0 0 302.761 3.807 50 5 DHBARN CNc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1[N+](=O)[O-] ZINC000020897671 182252080 /nfs/dbraw/zinc/25/20/80/182252080.db2.gz OIAHUMDEYMTDLO-UHFFFAOYSA-N 0 0 310.313 3.662 50 5 DHBARN C[C@@H](Nc1ncccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000026709818 182450691 /nfs/dbraw/zinc/45/06/91/182450691.db2.gz WPPXJHWPFQZECZ-SECBINFHSA-N 0 0 322.162 3.925 50 5 DHBARN Cc1cc(Cl)ccc1OC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000065858449 184381433 /nfs/dbraw/zinc/38/14/33/184381433.db2.gz GLIKFOCPUCRPLI-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN CC(C)(C)OC1CC(CCNc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000330033231 257261173 /nfs/dbraw/zinc/26/11/73/257261173.db2.gz XVRUWAOOBJAORJ-UHFFFAOYSA-N 0 0 307.394 3.573 50 5 DHBARN Cc1cc(OCc2nc(-c3cccs3)no2)ccc1[N+](=O)[O-] ZINC000004686678 257267639 /nfs/dbraw/zinc/26/76/39/257267639.db2.gz FPIBWGIJMHSLFP-UHFFFAOYSA-N 0 0 317.326 3.594 50 5 DHBARN COc1cccc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000002170553 331469045 /nfs/dbraw/zinc/46/90/45/331469045.db2.gz OWBBJEZFTOZHHC-AATRIKPKSA-N 0 0 300.270 3.682 50 5 DHBARN O=[N+]([O-])c1ccc(OCc2cccc(Br)c2)cc1 ZINC000042199620 336237324 /nfs/dbraw/zinc/23/73/24/336237324.db2.gz TVHKDSTWGWOKNB-UHFFFAOYSA-N 0 0 308.131 3.936 50 5 DHBARN Cc1ccc(SC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000302327 563586945 /nfs/dbraw/zinc/58/69/45/563586945.db2.gz UIYSQWGFYBRNQB-UHFFFAOYSA-N 0 0 303.339 3.601 50 5 DHBARN CC(=O)n1c2ccccc2c2nc3ccc([N+](=O)[O-])cc3cc21 ZINC000000179117 563228426 /nfs/dbraw/zinc/22/84/26/563228426.db2.gz SBCPJDYYYZZJKX-UHFFFAOYSA-N 0 0 305.293 3.911 50 5 DHBARN O=c1c2ccccc2c2ccccc2c(=O)n1Cc1ccccc1 ZINC000000619267 563271230 /nfs/dbraw/zinc/27/12/30/563271230.db2.gz SGEYIPDWSAWYMX-UHFFFAOYSA-N 0 0 313.356 3.563 50 5 DHBARN COc1cccc(OCCCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000002906304 563355302 /nfs/dbraw/zinc/35/53/02/563355302.db2.gz WLRSCOICZPFOFM-UHFFFAOYSA-N 0 0 317.341 3.841 50 5 DHBARN O=C(COc1ccc([N+](=O)[O-])cc1)Oc1ccc2ccccc2c1 ZINC000000038527 563505326 /nfs/dbraw/zinc/50/53/26/563505326.db2.gz NLUREJCVUBIGMW-UHFFFAOYSA-N 0 0 323.304 3.732 50 5 DHBARN Cc1ccc(NC(=O)/C=C\c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000033316734 563519894 /nfs/dbraw/zinc/51/98/94/563519894.db2.gz BXKKJDJUVOWDNQ-UITAMQMPSA-N 0 0 300.289 3.694 50 5 DHBARN CCOc1cc(Sc2ccc(OC)cc2)ncc1[N+](=O)[O-] ZINC000098086477 563524300 /nfs/dbraw/zinc/52/43/00/563524300.db2.gz WKLZAHWNHCGZRB-UHFFFAOYSA-N 0 0 306.343 3.548 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1cccc(Cl)c1 ZINC000000094155 563527514 /nfs/dbraw/zinc/52/75/14/563527514.db2.gz GGGVUTJMJGZRRR-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN COc1cc(Cl)c(C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000145297 563572591 /nfs/dbraw/zinc/57/25/91/563572591.db2.gz IAVWSMUOGUUMKP-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN O=[N+]([O-])c1cccc(-c2noc(CSc3ccccc3)n2)c1 ZINC000000150601 563573473 /nfs/dbraw/zinc/57/34/73/563573473.db2.gz NSQCQVPRLYXYEA-UHFFFAOYSA-N 0 0 313.338 3.937 50 5 DHBARN Cc1ccc(Oc2c(C=O)c3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000000168729 563573881 /nfs/dbraw/zinc/57/38/81/563573881.db2.gz FKZAFSOKSSJALQ-UHFFFAOYSA-N 0 0 310.309 4.000 50 5 DHBARN O=[N+]([O-])c1cc(-n2ncnc2-c2ccccc2Cl)ccc1F ZINC000000180827 563575569 /nfs/dbraw/zinc/57/55/69/563575569.db2.gz KDADZMDCCVRPRH-UHFFFAOYSA-N 0 0 318.695 3.635 50 5 DHBARN CC(C)(C)NC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000000198366 563576840 /nfs/dbraw/zinc/57/68/40/563576840.db2.gz QNWGITGWEDGVDP-UHFFFAOYSA-N 0 0 314.341 3.915 50 5 DHBARN CCOc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000000225335 563579190 /nfs/dbraw/zinc/57/91/90/563579190.db2.gz NEDMMIQNNUPEOX-DHZHZOJOSA-N 0 0 312.325 3.645 50 5 DHBARN Cc1c(Cl)cccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000000256225 563582242 /nfs/dbraw/zinc/58/22/42/563582242.db2.gz YXQAZZBQYRAKRQ-UHFFFAOYSA-N 0 0 304.733 3.738 50 5 DHBARN CC(C)(C)C(=O)Nc1cc(NC(=O)C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000000289558 563584798 /nfs/dbraw/zinc/58/47/98/563584798.db2.gz WWFUZXMRUZQHBM-UHFFFAOYSA-N 0 0 321.377 3.564 50 5 DHBARN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000000337787 563588923 /nfs/dbraw/zinc/58/89/23/563588923.db2.gz LEDQYPNYEQFFRC-AWEZNQCLSA-N 0 0 314.341 3.736 50 5 DHBARN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)sc1C(C)(C)C ZINC000000364505 563590755 /nfs/dbraw/zinc/59/07/55/563590755.db2.gz CANOIGHKZMLQEJ-UHFFFAOYSA-N 0 0 319.386 3.910 50 5 DHBARN Cc1ccc(-c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1 ZINC000000378239 563591448 /nfs/dbraw/zinc/59/14/48/563591448.db2.gz XHOJZTFUQBRGEN-UHFFFAOYSA-N 0 0 322.324 3.546 50 5 DHBARN O=[N+]([O-])c1ccc(/N=c2\ssnc2Cl)c(Cl)c1 ZINC000100327602 563592544 /nfs/dbraw/zinc/59/25/44/563592544.db2.gz NJINDYUAIOFSAF-FLIBITNWSA-N 0 0 308.171 3.652 50 5 DHBARN O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccccc1 ZINC000044405307 563601062 /nfs/dbraw/zinc/60/10/62/563601062.db2.gz AIVCPCMUFDFLLB-CYBMUJFWSA-N 0 0 302.355 3.634 50 5 DHBARN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc1C ZINC000000433817 563613715 /nfs/dbraw/zinc/61/37/15/563613715.db2.gz PJPVQTHKMXEPJX-UHFFFAOYSA-N 0 0 311.750 3.574 50 5 DHBARN CSc1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000000459979 563615165 /nfs/dbraw/zinc/61/51/65/563615165.db2.gz WGOQPEJHQNLXHL-CMDGGOBGSA-N 0 0 314.366 3.969 50 5 DHBARN Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000003515328 563622929 /nfs/dbraw/zinc/62/29/29/563622929.db2.gz JKKBQNFRPGQGNL-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[C@H]1c1ccccc1 ZINC000000483181 563637087 /nfs/dbraw/zinc/63/70/87/563637087.db2.gz LWVCEMYGUGVIMB-STQMWFEESA-N 0 0 316.744 3.990 50 5 DHBARN COc1ccc2oc(C)c(C(=O)c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000000500914 563653488 /nfs/dbraw/zinc/65/34/88/563653488.db2.gz AQRSINBZCFTILL-UHFFFAOYSA-N 0 0 311.293 3.889 50 5 DHBARN CC1CCC(N(C)C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000012787613 563653975 /nfs/dbraw/zinc/65/39/75/563653975.db2.gz WZFMTAWLJALTAY-UHFFFAOYSA-N 0 0 310.781 3.899 50 5 DHBARN O=[N+]([O-])c1ccc(N2CCc3ccccc3C2)c2ccncc21 ZINC000005699149 563654513 /nfs/dbraw/zinc/65/45/13/563654513.db2.gz JWIGEBSBRRVHPM-UHFFFAOYSA-N 0 0 305.337 3.706 50 5 DHBARN CCC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC000000612656 563698492 /nfs/dbraw/zinc/69/84/92/563698492.db2.gz QHNCEZUXGPHPKB-QGZVFWFLSA-N 0 0 323.352 3.683 50 5 DHBARN CC[C@H](C)c1ccc(NC(=O)c2c([N+](=O)[O-])cnn2CC)cc1 ZINC000000812289 563720101 /nfs/dbraw/zinc/72/01/01/563720101.db2.gz ZWVAZLLSAFCBGW-NSHDSACASA-N 0 0 316.361 3.577 50 5 DHBARN O=[N+]([O-])c1ccc(Sc2nc3cc(Cl)ccc3o2)nc1 ZINC000001387292 563815123 /nfs/dbraw/zinc/81/51/23/563815123.db2.gz JAGZYNNQVXWBMO-UHFFFAOYSA-N 0 0 307.718 3.936 50 5 DHBARN O=C(Oc1cccc([N+](=O)[O-])c1)C1(c2cccc(F)c2)CCC1 ZINC000084372060 563826325 /nfs/dbraw/zinc/82/63/25/563826325.db2.gz PTFMJENHAPYIIY-UHFFFAOYSA-N 0 0 315.300 3.761 50 5 DHBARN COc1ccc(C)cc1NC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000001738486 563870558 /nfs/dbraw/zinc/87/05/58/563870558.db2.gz GYFGQMKRWHLTFB-UHFFFAOYSA-N 0 0 319.292 3.695 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCOc1ccccc1 ZINC000001779479 563878299 /nfs/dbraw/zinc/87/82/99/563878299.db2.gz DPVPHYOPLSXYTF-UHFFFAOYSA-N 0 0 314.341 3.701 50 5 DHBARN Cc1ccc(COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000001961862 563886609 /nfs/dbraw/zinc/88/66/09/563886609.db2.gz AKFFBZLIUICAPV-UHFFFAOYSA-N 0 0 305.717 3.914 50 5 DHBARN C[C@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)c1ccc(F)cc1 ZINC000007757990 563918752 /nfs/dbraw/zinc/91/87/52/563918752.db2.gz WXPXNUUDYSBBSX-VIFPVBQESA-N 0 0 307.252 3.523 50 5 DHBARN Cc1nn(COc2cccc(Cl)c2Cl)c(C)c1[N+](=O)[O-] ZINC000002554019 563938851 /nfs/dbraw/zinc/93/88/51/563938851.db2.gz RETIECWKZJBNCK-UHFFFAOYSA-N 0 0 316.144 3.751 50 5 DHBARN CNC(=S)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002885005 563941131 /nfs/dbraw/zinc/94/11/31/563941131.db2.gz XHBLSABSAOUVMM-UHFFFAOYSA-N 0 0 319.411 3.662 50 5 DHBARN O=C(NC(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000003145176 563942242 /nfs/dbraw/zinc/94/22/42/563942242.db2.gz IJADMUWODSPPAK-UHFFFAOYSA-N 0 0 322.320 3.707 50 5 DHBARN CN(Cc1cccc(F)c1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009217053 563954191 /nfs/dbraw/zinc/95/41/91/563954191.db2.gz BTTXAFSSSMRTEB-UHFFFAOYSA-N 0 0 322.723 3.660 50 5 DHBARN CSc1ccsc1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000069737008 563954308 /nfs/dbraw/zinc/95/43/08/563954308.db2.gz BNTWCNONWRPIFT-SECBINFHSA-N 0 0 322.411 3.869 50 5 DHBARN O=C1c2cccc3cccc(c23)N1CCc1ccc([N+](=O)[O-])cc1 ZINC000097096702 568413596 /nfs/dbraw/zinc/41/35/96/568413596.db2.gz NBIKBIZDDIFXCQ-UHFFFAOYSA-N 0 0 318.332 3.951 50 5 DHBARN C[C@H]1CCCCN1C(=S)Sc1ccc([N+](=O)[O-])cc1C=O ZINC000013574286 568420049 /nfs/dbraw/zinc/42/00/49/568420049.db2.gz IAFKAVXZCGSOMZ-JTQLQIEISA-N 0 0 324.427 3.659 50 5 DHBARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000009668467 568421858 /nfs/dbraw/zinc/42/18/58/568421858.db2.gz UQVIAYWZZOVVMK-SNVBAGLBSA-N 0 0 316.744 3.840 50 5 DHBARN C[C@H](Sc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000460188 1019923127 /nfs/dbraw/zinc/92/31/27/1019923127.db2.gz PGBMSWSZZUNCBC-NSHDSACASA-N 0 0 302.355 3.714 50 5 DHBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccccc2)c([N+](=O)[O-])c1 ZINC000100170515 1022055026 /nfs/dbraw/zinc/05/50/26/1022055026.db2.gz JHMMNVQXKFUCCZ-VOTSOKGWSA-N 0 0 315.241 3.582 50 5 DHBARN C[C@H](C(=O)NCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000579936 1022348692 /nfs/dbraw/zinc/34/86/92/1022348692.db2.gz SDLGQACUGLTZRO-NSHDSACASA-N 0 0 318.760 3.668 50 5 DHBARN C[C@@H](C(=O)N[C@@H](C)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000675029884 1022768239 /nfs/dbraw/zinc/76/82/39/1022768239.db2.gz RDPLGSVCBSGDOW-MNOVXSKESA-N 0 0 304.371 3.637 50 5 DHBARN Cc1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000015084196 1024945496 /nfs/dbraw/zinc/94/54/96/1024945496.db2.gz NLWBIUPRLGSPFY-UHFFFAOYSA-N 0 0 306.705 3.515 50 5 DHBARN Cc1cc(OCc2nnc(-c3cccs3)o2)ccc1[N+](=O)[O-] ZINC000025125361 1026127918 /nfs/dbraw/zinc/12/79/18/1026127918.db2.gz ZGOSIAYSJJOMKU-UHFFFAOYSA-N 0 0 317.326 3.594 50 5 DHBARN CC(C)(C)OC(=O)N1CCc2cc([N+](=O)[O-])c(Cl)cc2C1 ZINC000095495788 185374017 /nfs/dbraw/zinc/37/40/17/185374017.db2.gz RVZBFIOVXHTQEM-UHFFFAOYSA-N 0 0 312.753 3.541 50 5 DHBARN CCOC(=O)c1ccc(Oc2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000000111654 190611873 /nfs/dbraw/zinc/61/18/73/190611873.db2.gz VQQVVQPCDNRJBD-UHFFFAOYSA-N 0 0 317.297 3.572 50 5 DHBARN O=C(NCc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000072331457 191124883 /nfs/dbraw/zinc/12/48/83/191124883.db2.gz MXDIZISTLBZMSS-UHFFFAOYSA-N 0 0 324.258 3.544 50 5 DHBARN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccncc1 ZINC000000079233 180686300 /nfs/dbraw/zinc/68/63/00/180686300.db2.gz OBWYUBJWSVJUEQ-UHFFFAOYSA-N 0 0 317.370 3.743 50 5 DHBARN Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000000313460 180756678 /nfs/dbraw/zinc/75/66/78/180756678.db2.gz KNANDEXVXOSPLW-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000000307199 180754223 /nfs/dbraw/zinc/75/42/23/180754223.db2.gz WHOXNVSBKRZVLF-SNVBAGLBSA-N 0 0 304.733 3.739 50 5 DHBARN Cc1cc(Nc2ccccc2)n(C(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000000432719 180789072 /nfs/dbraw/zinc/78/90/72/180789072.db2.gz BIBPGEJGKCCEBI-UHFFFAOYSA-N 0 0 322.324 3.532 50 5 DHBARN O=[N+]([O-])c1cccc(-c2noc(-c3cccc(Cl)c3)n2)c1 ZINC000000462171 180798276 /nfs/dbraw/zinc/79/82/76/180798276.db2.gz DPFAAOXWAMPIIS-UHFFFAOYSA-N 0 0 301.689 3.965 50 5 DHBARN Cc1cc([N+](=O)[O-])ccc1CCc1ccc([N+](=O)[O-])cc1C ZINC000002171323 180913551 /nfs/dbraw/zinc/91/35/51/180913551.db2.gz DUSWUNUUPHBELH-UHFFFAOYSA-N 0 0 300.314 3.905 50 5 DHBARN CCCCc1nc2ccccc2c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000002297437 180918181 /nfs/dbraw/zinc/91/81/81/180918181.db2.gz RSQCCYLFDYRIEJ-UHFFFAOYSA-N 0 0 323.352 3.637 50 5 DHBARN O=C(c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)N1CCCC1 ZINC000002879944 180966625 /nfs/dbraw/zinc/96/66/25/180966625.db2.gz BFGDUXNYOCVMCM-UHFFFAOYSA-N 0 0 312.325 3.623 50 5 DHBARN CCc1ccccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000003286217 181000192 /nfs/dbraw/zinc/00/01/92/181000192.db2.gz JGNBATBXIHMFAJ-UHFFFAOYSA-N 0 0 315.325 3.603 50 5 DHBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2n1 ZINC000003350473 181009895 /nfs/dbraw/zinc/00/98/95/181009895.db2.gz VEEMJOUADZMPBL-UHFFFAOYSA-N 0 0 308.293 3.500 50 5 DHBARN C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000003446957 181021152 /nfs/dbraw/zinc/02/11/52/181021152.db2.gz MIUPYKDARQOVAT-SECBINFHSA-N 0 0 322.723 3.878 50 5 DHBARN O=C(CCc1ccccc1Cl)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000003447879 181021510 /nfs/dbraw/zinc/02/15/10/181021510.db2.gz NLTKIRKFQADFKR-UHFFFAOYSA-N 0 0 322.723 3.959 50 5 DHBARN Cc1cccc(SCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000004118299 181075487 /nfs/dbraw/zinc/07/54/87/181075487.db2.gz BTSHTAJTINCNSU-UHFFFAOYSA-N 0 0 302.355 3.634 50 5 DHBARN COc1ccc2c(c1)[nH]c(Nc1ccc(F)cc1)c2[N+](=O)[O-] ZINC000004352527 181101015 /nfs/dbraw/zinc/10/10/15/181101015.db2.gz FQYLYZYYFVWFKW-UHFFFAOYSA-N 0 0 301.277 3.967 50 5 DHBARN O=C1O/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3cc21 ZINC000004419480 181108425 /nfs/dbraw/zinc/10/84/25/181108425.db2.gz YZNPETPNYRSTFS-SXGWCWSVSA-N 0 0 318.288 3.812 50 5 DHBARN Cc1cccc(C(=O)OCc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000004580287 181126780 /nfs/dbraw/zinc/12/67/80/181126780.db2.gz LVXUXOCIFCKJLI-UHFFFAOYSA-N 0 0 305.717 3.914 50 5 DHBARN COc1ccc(NC(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000004600524 181129075 /nfs/dbraw/zinc/12/90/75/181129075.db2.gz FQFBSGDTAYASLI-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN CCCC[C@@H](CC)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000004702895 181139917 /nfs/dbraw/zinc/13/99/17/181139917.db2.gz WQVQLFFTHGFFOL-GFCCVEGCSA-N 0 0 308.378 3.550 50 5 DHBARN COc1ccc(/C=C/C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000004751123 181148222 /nfs/dbraw/zinc/14/82/22/181148222.db2.gz ULOYSTJGLOSMCP-UXBLZVDNSA-N 0 0 312.325 3.564 50 5 biogenic DHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(C)cc1 ZINC000004894401 181169176 /nfs/dbraw/zinc/16/91/76/181169176.db2.gz GAOUVYBBENZJPJ-JXMROGBWSA-N 0 0 312.325 3.564 50 5 DHBARN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004903698 181170866 /nfs/dbraw/zinc/17/08/66/181170866.db2.gz YUBGKNXEWDCIAM-JTQLQIEISA-N 0 0 320.732 3.654 50 5 DHBARN COc1cc(CNc2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OC ZINC000004989325 181186120 /nfs/dbraw/zinc/18/61/20/181186120.db2.gz KMKZCXNKITXTPM-UHFFFAOYSA-N 0 0 324.283 3.502 50 5 DHBARN O=C(Nc1ccc([N+](=O)[O-])cn1)c1cc(Cl)ccc1Cl ZINC000005020986 181191754 /nfs/dbraw/zinc/19/17/54/181191754.db2.gz UIAREZLCNNLIFN-UHFFFAOYSA-N 0 0 312.112 3.549 50 5 DHBARN O=[N+]([O-])c1cccc(-c2ccc(SCc3ccccn3)nn2)c1 ZINC000005086933 181202406 /nfs/dbraw/zinc/20/24/06/181202406.db2.gz ZCCYIEJALOJANJ-UHFFFAOYSA-N 0 0 324.365 3.739 50 5 DHBARN O=C(COc1ccc2ccccc2c1)Nc1ccccc1[N+](=O)[O-] ZINC000005092851 181203157 /nfs/dbraw/zinc/20/31/57/181203157.db2.gz GFFHSUMTQJLGQB-UHFFFAOYSA-N 0 0 322.320 3.766 50 5 DHBARN Cc1cc(C(=O)N[C@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000005442938 181244482 /nfs/dbraw/zinc/24/44/82/181244482.db2.gz PHTMDYWTSJXVFV-INIZCTEOSA-N 0 0 310.353 3.711 50 5 DHBARN O=[N+]([O-])c1cc(Br)c(F)cc1NC1CCCC1 ZINC000085477095 192512717 /nfs/dbraw/zinc/51/27/17/192512717.db2.gz BLQQQCGCZYHGCT-UHFFFAOYSA-N 0 0 303.131 3.851 50 5 DHBARN Cc1cccc(NC(=S)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000006507812 181347658 /nfs/dbraw/zinc/34/76/58/181347658.db2.gz QAKSSDZANIICPN-UHFFFAOYSA-N 0 0 305.334 3.851 50 5 DHBARN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000006790712 181389707 /nfs/dbraw/zinc/38/97/07/181389707.db2.gz MQHIWXGLRFOJEZ-SECBINFHSA-N 0 0 322.723 3.878 50 5 DHBARN O=[N+]([O-])c1ccc(F)cc1OCc1ncc(-c2ccccc2)o1 ZINC000007781934 181495480 /nfs/dbraw/zinc/49/54/80/181495480.db2.gz CNRZMWRSKIIBCV-UHFFFAOYSA-N 0 0 314.272 3.968 50 5 DHBARN Cc1cc(NC(=O)N(C)[C@@H](C)c2ccncc2)ccc1[N+](=O)[O-] ZINC000095996394 193484375 /nfs/dbraw/zinc/48/43/75/193484375.db2.gz PQYWVEWVJNCKQW-LBPRGKRZSA-N 0 0 314.345 3.523 50 5 DHBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1ccc(F)cc1 ZINC000012624088 181784282 /nfs/dbraw/zinc/78/42/82/181784282.db2.gz OETLCXBYQULPSM-NSHDSACASA-N 0 0 317.320 3.959 50 5 DHBARN CN(Cc1cccc(Cl)c1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000018008750 182089488 /nfs/dbraw/zinc/08/94/88/182089488.db2.gz DFWMIDRBQXAXFU-UHFFFAOYSA-N 0 0 310.762 3.582 50 5 DHBARN O=[N+]([O-])c1ccc(Oc2ncnc3ccsc32)c2ncccc12 ZINC000022015473 182303984 /nfs/dbraw/zinc/30/39/84/182303984.db2.gz APYFECXVDFWDME-UHFFFAOYSA-N 0 0 324.321 3.940 50 5 DHBARN O=[N+]([O-])c1cccnc1NCCNc1cccc2ccccc21 ZINC000023324719 182357110 /nfs/dbraw/zinc/35/71/10/182357110.db2.gz FPCPGDSZWCRIFI-UHFFFAOYSA-N 0 0 308.341 3.667 50 5 DHBARN O=[N+]([O-])c1cccnc1N[C@H]1CCSc2c(F)cccc21 ZINC000023641114 182365303 /nfs/dbraw/zinc/36/53/03/182365303.db2.gz GUGZEYBZLJGMJC-NSHDSACASA-N 0 0 305.334 3.778 50 5 DHBARN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(F)cc1Cl ZINC000040074143 183031440 /nfs/dbraw/zinc/03/14/40/183031440.db2.gz VGZKJHSWMXINQQ-UHFFFAOYSA-N 0 0 322.723 3.660 50 5 DHBARN CC(C)=C[C@@H]1[C@@H](C(=O)Oc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000057983588 184064007 /nfs/dbraw/zinc/06/40/07/184064007.db2.gz NGZJXHYURJYHGJ-RISCZKNCSA-N 0 0 307.321 3.878 50 5 DHBARN CCCCNc1cc(OCC)c(Br)cc1[N+](=O)[O-] ZINC000065336900 184325155 /nfs/dbraw/zinc/32/51/55/184325155.db2.gz RIJGVEMBLMAOLV-UHFFFAOYSA-N 0 0 317.183 3.968 50 5 DHBARN O=[N+]([O-])c1cccc(-c2nc(/C=C/c3ccncn3)cs2)c1 ZINC000157353582 256588018 /nfs/dbraw/zinc/58/80/18/256588018.db2.gz LLRUZDLGAWLGML-SNAWJCMRSA-N 0 0 310.338 3.679 50 5 DHBARN O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CCO[C@@H]1c1ccncc1 ZINC000408514381 257255977 /nfs/dbraw/zinc/25/59/77/257255977.db2.gz BHWSHRJOAWCSCW-DZGCQCFKSA-N 0 0 319.748 3.585 50 5 DHBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCCCC2)c2ccccc21 ZINC000003897503 134456202 /nfs/dbraw/zinc/45/62/02/134456202.db2.gz KAZKVKCGCSELHX-UHFFFAOYSA-N 0 0 301.302 3.647 50 5 DHBARN Cc1cccc(N2CCN(c3ccccc3[N+](=O)[O-])C[C@H]2C)c1 ZINC000012635035 134508566 /nfs/dbraw/zinc/50/85/66/134508566.db2.gz DXFFHASUZIRJNH-OAHLLOKOSA-N 0 0 311.385 3.618 50 5 DHBARN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)C1CCCCC1 ZINC000000175327 563574544 /nfs/dbraw/zinc/57/45/44/563574544.db2.gz VMAKFFKOZSLHDW-UHFFFAOYSA-N 0 0 305.359 3.723 50 5 DHBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1Cl ZINC000003263847 563943268 /nfs/dbraw/zinc/94/32/68/563943268.db2.gz NTMWEQBYMHQOFM-UHFFFAOYSA-N 0 0 309.680 3.744 50 5 DHBARN CCOC(=O)c1ccc(-c2ccc(/C=C(\C)[N+](=O)[O-])o2)cc1 ZINC000000052544 563211963 /nfs/dbraw/zinc/21/19/63/563211963.db2.gz QYUGUYXZMCCSDG-ZHACJKMWSA-N 0 0 301.298 3.761 50 5 DHBARN O=c1c2c(F)cccc2nc2sc3ccc(Cl)cc3n21 ZINC000000091468 563215944 /nfs/dbraw/zinc/21/59/44/563215944.db2.gz GPWBEALTJDFRPS-UHFFFAOYSA-N 0 0 304.733 3.855 50 5 DHBARN CCOc1ccc(-c2noc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000034680332 563313337 /nfs/dbraw/zinc/31/33/37/563313337.db2.gz BUJMCVZMTQXPQH-UHFFFAOYSA-N 0 0 311.297 3.711 50 5 DHBARN CC(=O)c1ccc(C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000032776872 563391477 /nfs/dbraw/zinc/39/14/77/563391477.db2.gz ZOJNTZZHTFBJEY-JTQLQIEISA-N 0 0 319.338 3.777 50 5 DHBARN O=c1[nH]c2cc3ccccc3cc2nc1Cc1ccc(F)cc1 ZINC000000104696 563402270 /nfs/dbraw/zinc/40/22/70/563402270.db2.gz XWDFVKBTXVBIHF-UHFFFAOYSA-N 0 0 304.324 3.806 50 5 DHBARN CC(=O)Nc1cccc(NCc2csc([N+](=O)[O-])c2)c1C ZINC000072301921 563440322 /nfs/dbraw/zinc/44/03/22/563440322.db2.gz IZDVAYORXLBJJU-UHFFFAOYSA-N 0 0 305.359 3.535 50 5 DHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1Cl ZINC000000063816 563517304 /nfs/dbraw/zinc/51/73/04/563517304.db2.gz ASWCHXLMADGNSY-CMDGGOBGSA-N 0 0 302.717 3.900 50 5 DHBARN O=[N+]([O-])c1cc(Br)ccc1OC(F)(F)Cl ZINC000095215671 563529075 /nfs/dbraw/zinc/52/90/75/563529075.db2.gz CQWQIGFJVJWKTE-UHFFFAOYSA-N 0 0 302.458 3.525 50 5 DHBARN O=C(Nc1ccc(-c2cnco2)cc1)c1csc([N+](=O)[O-])c1 ZINC000000106277 563543492 /nfs/dbraw/zinc/54/34/92/563543492.db2.gz VBWLNQTUSMLDOB-UHFFFAOYSA-N 0 0 315.310 3.564 50 5 DHBARN O=[N+]([O-])c1cccc(-c2nnc(Cc3cc(F)cc(F)c3)o2)c1 ZINC000000112900 563570367 /nfs/dbraw/zinc/57/03/67/563570367.db2.gz RAPNCQFMVANDKG-UHFFFAOYSA-N 0 0 317.251 3.514 50 5 DHBARN Cc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1[N+](=O)[O-] ZINC000000175580 563574618 /nfs/dbraw/zinc/57/46/18/563574618.db2.gz CWRLQPZGBDBFJG-UHFFFAOYSA-N 0 0 307.309 3.704 50 5 DHBARN O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1F ZINC000000180781 563575714 /nfs/dbraw/zinc/57/57/14/563575714.db2.gz NGXKEAWARQLYPT-OAHLLOKOSA-N 0 0 318.329 3.513 50 5 DHBARN Cc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2s1 ZINC000000193795 563577348 /nfs/dbraw/zinc/57/73/48/563577348.db2.gz YPEHGSPRIJSMRY-UHFFFAOYSA-N 0 0 313.338 3.765 50 5 DHBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000000239824 563580454 /nfs/dbraw/zinc/58/04/54/563580454.db2.gz JLCXWYPZAHWPAJ-DGCLKSJQSA-N 0 0 322.792 3.901 50 5 DHBARN CC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000000288737 563584614 /nfs/dbraw/zinc/58/46/14/563584614.db2.gz LJYBUDVNXOIHES-UHFFFAOYSA-N 0 0 318.716 3.703 50 5 DHBARN CCOc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000000288682 563584837 /nfs/dbraw/zinc/58/48/37/563584837.db2.gz MFYPEYNFRSOCHD-UHFFFAOYSA-N 0 0 320.732 3.899 50 5 DHBARN CCOc1ccc(C(=O)Oc2ccc(CC)cc2)cc1[N+](=O)[O-] ZINC000000341888 563588936 /nfs/dbraw/zinc/58/89/36/563588936.db2.gz OCFOQQYDDDIKKJ-UHFFFAOYSA-N 0 0 315.325 3.775 50 5 DHBARN O=C(Oc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000000362888 563590692 /nfs/dbraw/zinc/59/06/92/563590692.db2.gz LTYFLUNCDIGQPX-UHFFFAOYSA-N 0 0 322.114 3.577 50 5 DHBARN Cc1cc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000248000929 563599267 /nfs/dbraw/zinc/59/92/67/563599267.db2.gz SGFBVNCKAFYKQV-OFQRWUPVSA-N 0 0 316.401 3.992 50 5 DHBARN CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000449444 563614310 /nfs/dbraw/zinc/61/43/10/563614310.db2.gz GSRKUHONOLYWBW-KRWDZBQOSA-N 0 0 323.352 3.683 50 5 DHBARN Cc1ccc(/C=C/C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000000441664 563614398 /nfs/dbraw/zinc/61/43/98/563614398.db2.gz MXKBLVYFAZLOTG-RMKNXTFCSA-N 0 0 300.289 3.694 50 5 DHBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2ccccc21 ZINC000000451092 563615104 /nfs/dbraw/zinc/61/51/04/563615104.db2.gz ODBZDUNLLZTTES-UHFFFAOYSA-N 0 0 317.732 3.843 50 5 DHBARN O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(F)cc1 ZINC000000180284 563622789 /nfs/dbraw/zinc/62/27/89/563622789.db2.gz YMAWFDKHMUOBFM-HNNXBMFYSA-N 0 0 318.329 3.513 50 5 DHBARN Cc1ccc(C(=O)NCCc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000000476697 563624175 /nfs/dbraw/zinc/62/41/75/563624175.db2.gz BPIGKQWKPZLRNF-UHFFFAOYSA-N 0 0 318.760 3.529 50 5 DHBARN O=[N+]([O-])c1ccc(-c2noc(-c3ccccc3Cl)n2)cc1 ZINC000000516044 563659949 /nfs/dbraw/zinc/65/99/49/563659949.db2.gz VAJPOGWNCSNRAY-UHFFFAOYSA-N 0 0 301.689 3.965 50 5 DHBARN Cc1cc(C(=O)Nc2ccccc2OC(F)F)ccc1[N+](=O)[O-] ZINC000000557770 563669383 /nfs/dbraw/zinc/66/93/83/563669383.db2.gz OGUWLMZBMZKIFD-UHFFFAOYSA-N 0 0 322.267 3.757 50 5 DHBARN CCc1cccc(CC)c1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000000555153 563669518 /nfs/dbraw/zinc/66/95/18/563669518.db2.gz VQVKLGVZEJTDSN-UHFFFAOYSA-N 0 0 312.369 3.901 50 5 DHBARN Cc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])s3)ccc2s1 ZINC000000567910 563671450 /nfs/dbraw/zinc/67/14/50/563671450.db2.gz GSTDFLLUYDIKLP-UHFFFAOYSA-N 0 0 319.367 3.827 50 5 DHBARN Cc1c(C(=O)OCc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000000618097 563698939 /nfs/dbraw/zinc/69/89/39/563698939.db2.gz RGPBHALBFPPOCL-UHFFFAOYSA-N 0 0 305.717 3.914 50 5 DHBARN CCN(c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1)C(C)C ZINC000012526986 563797723 /nfs/dbraw/zinc/79/77/23/563797723.db2.gz FXLFCGDLBCZTNO-UHFFFAOYSA-N 0 0 317.345 3.675 50 5 DHBARN Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])c(C)c1 ZINC000012621495 563807605 /nfs/dbraw/zinc/80/76/05/563807605.db2.gz WBRZCDQWAKZECU-CYBMUJFWSA-N 0 0 314.341 3.618 50 5 DHBARN O=C(c1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000001511553 563842611 /nfs/dbraw/zinc/84/26/11/563842611.db2.gz ONLOWPRDSVDQGH-UHFFFAOYSA-N 0 0 306.115 3.588 50 5 DHBARN COc1cccc([C@@H](Nc2c([N+](=O)[O-])ncn2C)C(C)(C)C)c1 ZINC000075105794 563859685 /nfs/dbraw/zinc/85/96/85/563859685.db2.gz FGWGEFLWVGHGQG-CYBMUJFWSA-N 0 0 318.377 3.536 50 5 DHBARN O=[N+]([O-])c1ccccc1C1=NC(=S)N[C@@H](c2ccccc2)C1 ZINC000075283117 563862746 /nfs/dbraw/zinc/86/27/46/563862746.db2.gz CDLUVLQRHRWFNV-CYBMUJFWSA-N 0 0 311.366 3.566 50 5 DHBARN CC(=O)c1ccc(N[C@H]2CCOc3ccccc32)c([N+](=O)[O-])c1 ZINC000007186705 563904304 /nfs/dbraw/zinc/90/43/04/563904304.db2.gz FOGSRTNXCKQSPT-AWEZNQCLSA-N 0 0 312.325 3.733 50 5 DHBARN O=[N+]([O-])c1ccc(Cl)nc1Nc1cccc2ncccc21 ZINC000037331625 563908929 /nfs/dbraw/zinc/90/89/29/563908929.db2.gz SUYGOJNWOFCZOR-UHFFFAOYSA-N 0 0 300.705 3.935 50 5 DHBARN C[C@H](Nc1cccc(C[S@](C)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000195552442 563919617 /nfs/dbraw/zinc/91/96/17/563919617.db2.gz XACGHUIHJNRKAY-YTEVENLXSA-N 0 0 318.398 3.646 50 5 DHBARN C[C@H](Nc1cccc(C[S@@](C)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000195552439 563919659 /nfs/dbraw/zinc/91/96/59/563919659.db2.gz XACGHUIHJNRKAY-AMXDTQDGSA-N 0 0 318.398 3.646 50 5 DHBARN C[C@@H](Nc1cccc(C[S@@](C)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000195552437 563919665 /nfs/dbraw/zinc/91/96/65/563919665.db2.gz XACGHUIHJNRKAY-VERVWZFWSA-N 0 0 318.398 3.646 50 5 DHBARN CN(Cc1cc2ccccc2o1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000096445190 563937230 /nfs/dbraw/zinc/93/72/30/563937230.db2.gz LRMCEVVFDHDISS-UHFFFAOYSA-N 0 0 324.336 3.542 50 5 DHBARN O=C(CSCc1ccc([N+](=O)[O-])cc1)NC1CCCCCC1 ZINC000002813037 563940872 /nfs/dbraw/zinc/94/08/72/563940872.db2.gz YDXWJKVHNABSIB-UHFFFAOYSA-N 0 0 322.430 3.667 50 5 DHBARN CCCOc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000002989176 563941607 /nfs/dbraw/zinc/94/16/07/563941607.db2.gz CCGVUMWRTJGPDF-UHFFFAOYSA-N 0 0 300.314 3.636 50 5 DHBARN Cc1cc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000008161444 563947055 /nfs/dbraw/zinc/94/70/55/563947055.db2.gz GHVXWUMOWITNQR-DZGCQCFKSA-N 0 0 302.374 3.556 50 5 DHBARN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])o1 ZINC000001230688 1013341212 /nfs/dbraw/zinc/34/12/12/1013341212.db2.gz ZUKZVYOCJDBCLU-UHFFFAOYSA-N 0 0 301.085 3.747 50 5 DHBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1F ZINC000000460170 1019920794 /nfs/dbraw/zinc/92/07/94/1019920794.db2.gz RUGASMMRAOJUNC-FPYGCLRLSA-N 0 0 304.252 3.525 50 5 DHBARN COc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000000461611 1019921634 /nfs/dbraw/zinc/92/16/34/1019921634.db2.gz PHIVWKGVVKPQFP-DHZHZOJOSA-N 0 0 312.325 3.564 50 5 DHBARN O=[N+]([O-])c1cccc(-c2nc3ccccc3c(N3CCCC3)n2)c1 ZINC000000468867 1019923071 /nfs/dbraw/zinc/92/30/71/1019923071.db2.gz HKJCVJNRFACWQS-UHFFFAOYSA-N 0 0 320.352 3.805 50 5 DHBARN CCOc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1 ZINC000000463846 1019924320 /nfs/dbraw/zinc/92/43/20/1019924320.db2.gz NDXHIWMKCVKMTL-UHFFFAOYSA-N 0 0 300.314 3.554 50 5 DHBARN O=C(/C=C\c1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)CCC2 ZINC000033470610 1021440511 /nfs/dbraw/zinc/44/05/11/1021440511.db2.gz KMHPDQBLINCLJF-LUAWRHEFSA-N 0 0 308.337 3.735 50 5 DHBARN O=C1OC(/C=C\c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1ccccc1 ZINC000033499345 1021485770 /nfs/dbraw/zinc/48/57/70/1021485770.db2.gz QFZWSPMUAVAFGU-MZFDCTSESA-N 0 0 320.304 3.604 50 5 DHBARN O=C1Nc2cc(Cl)ccc2/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000000573364 1026309122 /nfs/dbraw/zinc/30/91/22/1026309122.db2.gz TVAZKEKPFPSXBP-NTUHNPAUSA-N 0 0 300.701 3.741 50 5 DHBARN CC(C)Cc1nc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000076711348 185034494 /nfs/dbraw/zinc/03/44/94/185034494.db2.gz OWONZHCVASKTKZ-UHFFFAOYSA-N 0 0 319.386 3.526 50 5 DHBARN CC(=O)c1ccc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000504530 190615229 /nfs/dbraw/zinc/61/52/29/190615229.db2.gz ILNXRTVRQQJSJG-UHFFFAOYSA-N 0 0 319.700 3.670 50 5 DHBARN O=[N+]([O-])c1cc(Br)ccc1N1CCCC(F)(F)C1 ZINC000169725428 197748200 /nfs/dbraw/zinc/74/82/00/197748200.db2.gz PLDKGDDSSLGICH-UHFFFAOYSA-N 0 0 321.121 3.593 50 5 DHBARN CCOc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000000102939 180693992 /nfs/dbraw/zinc/69/39/92/180693992.db2.gz QLCUKSIHWAZWHU-UHFFFAOYSA-N 0 0 300.314 3.554 50 5 DHBARN CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1 ZINC000000264348 180741666 /nfs/dbraw/zinc/74/16/66/180741666.db2.gz KEDXXOIJZJINCS-UHFFFAOYSA-N 0 0 312.354 3.564 50 5 DHBARN O=[N+]([O-])c1cccc(-c2noc(Cc3ccc(Cl)cc3)n2)c1 ZINC000000441853 180792024 /nfs/dbraw/zinc/79/20/24/180792024.db2.gz BGDCTPUMUFBUGH-UHFFFAOYSA-N 0 0 315.716 3.889 50 5 DHBARN C[C@H]1Cc2ccccc2N1C(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000000611813 180828398 /nfs/dbraw/zinc/82/83/98/180828398.db2.gz NCKNJUSEUIUOKV-NSHDSACASA-N 0 0 313.382 3.743 50 5 DHBARN O=[N+]([O-])c1ccc(Sc2nc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000002665575 180946268 /nfs/dbraw/zinc/94/62/68/180946268.db2.gz FHSFUCNKKOYZKD-UHFFFAOYSA-N 0 0 317.282 3.795 50 5 DHBARN Cc1c(NC(=O)COc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000003603940 181038936 /nfs/dbraw/zinc/03/89/36/181038936.db2.gz BXRJTNVTRIAZAF-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN CC(C)c1ccccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000003957235 181059556 /nfs/dbraw/zinc/05/95/56/181059556.db2.gz ZPGIAJDCSPVBTI-UHFFFAOYSA-N 0 0 314.341 3.736 50 5 DHBARN COc1ccc(NC(=O)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000004610873 181129359 /nfs/dbraw/zinc/12/93/59/181129359.db2.gz QPNDLOIYBOPUMR-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN O=C(NCCCc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000004700065 181138922 /nfs/dbraw/zinc/13/89/22/181138922.db2.gz ITYGYCZQMHXSGO-UHFFFAOYSA-N 0 0 318.760 3.611 50 5 DHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCc2ccccc21 ZINC000004927482 181174627 /nfs/dbraw/zinc/17/46/27/181174627.db2.gz WRVHOEZZJJKDIM-MRXNPFEDSA-N 0 0 311.341 3.794 50 5 DHBARN C[C@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000005009738 181189987 /nfs/dbraw/zinc/18/99/87/181189987.db2.gz YUBPICZDBQJRIU-JTQLQIEISA-N 0 0 320.732 3.654 50 5 DHBARN CCc1ccc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000005419759 181241343 /nfs/dbraw/zinc/24/13/43/181241343.db2.gz AHLJCAHMDYAKBB-UHFFFAOYSA-N 0 0 312.369 3.738 50 5 DHBARN C[C@@H](NC(=O)OCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000005675316 181270923 /nfs/dbraw/zinc/27/09/23/181270923.db2.gz IKRRTWDNMOZMKI-GFCCVEGCSA-N 0 0 300.314 3.582 50 5 DHBARN O=C(OCc1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 ZINC000005769445 181282413 /nfs/dbraw/zinc/28/24/13/181282413.db2.gz CSDSZQGEOAVTPN-UHFFFAOYSA-N 0 0 315.369 3.854 50 5 DHBARN COc1cc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])ccc1Cl ZINC000194896168 201308550 /nfs/dbraw/zinc/30/85/50/201308550.db2.gz SCGDTZGDXDCWQI-UHFFFAOYSA-N 0 0 324.695 3.648 50 5 DHBARN O=[N+]([O-])c1cc(I)cc(Cl)c1Cl ZINC000263623187 203487199 /nfs/dbraw/zinc/48/71/99/203487199.db2.gz FLZUMGYDJVUHOZ-UHFFFAOYSA-N 0 0 317.897 3.506 50 5 DHBARN Cc1cc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000008161451 181531693 /nfs/dbraw/zinc/53/16/93/181531693.db2.gz GHVXWUMOWITNQR-ZFWWWQNUSA-N 0 0 302.374 3.556 50 5 DHBARN Cc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000008491340 181559540 /nfs/dbraw/zinc/55/95/40/181559540.db2.gz QONIHPFQPCIMCE-NSHDSACASA-N 0 0 302.305 3.533 50 5 DHBARN O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2F)nc1 ZINC000008780233 181585756 /nfs/dbraw/zinc/58/57/56/181585756.db2.gz QYPYSUYLQNKUQH-UHFFFAOYSA-N 0 0 313.082 3.684 50 5 DHBARN O=C(Nc1cc(F)ccc1F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000015005378 181982265 /nfs/dbraw/zinc/98/22/65/181982265.db2.gz DTMSUSBYDNDBJU-UHFFFAOYSA-N 0 0 312.659 3.779 50 5 DHBARN Cc1nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3C)ccc2o1 ZINC000015540812 182006096 /nfs/dbraw/zinc/00/60/96/182006096.db2.gz RYJLZCRJKNJMQK-UHFFFAOYSA-N 0 0 311.297 3.605 50 5 DHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1ccco1 ZINC000015837899 182021194 /nfs/dbraw/zinc/02/11/94/182021194.db2.gz HLNLWIACTJMMCG-CYBMUJFWSA-N 0 0 301.302 3.557 50 5 DHBARN CC1(C)N=C(c2ccccc2)[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)N21 ZINC000019898948 182161452 /nfs/dbraw/zinc/16/14/52/182161452.db2.gz ZURRJBURTJNBNL-QJNHQHDKSA-N 0 0 307.353 3.559 50 5 DHBARN COc1ccc2cc(CNc3ccc([N+](=O)[O-])cn3)ccc2c1 ZINC000024529189 182382402 /nfs/dbraw/zinc/38/24/02/182382402.db2.gz JQIVPWYEIDOWDS-UHFFFAOYSA-N 0 0 309.325 3.764 50 5 DHBARN CCc1ccc(C(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000040082183 183031879 /nfs/dbraw/zinc/03/18/79/183031879.db2.gz ATZVCZGKSYPKBX-LLVKDONJSA-N 0 0 302.330 3.583 50 5 DHBARN O=[N+]([O-])c1ccc(Sc2nccn2C2CC2)c2ccncc21 ZINC000054886543 183954160 /nfs/dbraw/zinc/95/41/60/183954160.db2.gz KTJXWUYQIUJQHY-UHFFFAOYSA-N 0 0 312.354 3.826 50 5 DHBARN Cc1cccc(OCCNc2ccc3ncccc3c2[N+](=O)[O-])c1 ZINC000065474834 184351291 /nfs/dbraw/zinc/35/12/91/184351291.db2.gz GKKGPPROHITMGH-UHFFFAOYSA-N 0 0 323.352 3.942 50 5 DHBARN CN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(Cl)c1 ZINC000024946541 256530951 /nfs/dbraw/zinc/53/09/51/256530951.db2.gz KWFWKGDAGYPGTD-UHFFFAOYSA-N 0 0 304.733 3.520 50 5 DHBARN COC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)c1ccccc1C ZINC000012731008 257268236 /nfs/dbraw/zinc/26/82/36/257268236.db2.gz KLCGTUQVQGZMAI-GFCCVEGCSA-N 0 0 314.341 3.863 50 5 DHBARN CC(=O)COc1cccc2c1ccc1c3c(c(=O)oc21)CCCC3 ZINC000001050488 563276052 /nfs/dbraw/zinc/27/60/52/563276052.db2.gz VDIGXAOLPMZXDZ-UHFFFAOYSA-N 0 0 322.360 3.793 50 5 DHBARN CC(=O)c1ccc(N(C)Cc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000032760709 563390895 /nfs/dbraw/zinc/39/08/95/563390895.db2.gz KQBHNMPJWXXRFG-UHFFFAOYSA-N 0 0 320.295 3.712 50 5 DHBARN C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000032770024 563392112 /nfs/dbraw/zinc/39/21/12/563392112.db2.gz BXUDKCIVTBVCGN-SECBINFHSA-N 0 0 309.272 3.764 50 5 DHBARN Cc1nc2ccccc2n1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000000068249 563518628 /nfs/dbraw/zinc/51/86/28/563518628.db2.gz CMCZCOXQLHDLPT-UHFFFAOYSA-N 0 0 315.716 3.595 50 5 DHBARN Cc1ccc(/C=C\C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000033310982 563520031 /nfs/dbraw/zinc/52/00/31/563520031.db2.gz DCLQDNUNRVCWNL-ALCCZGGFSA-N 0 0 306.705 3.802 50 5 DHBARN COC(=O)c1ccc(Sc2ccccc2C)c([N+](=O)[O-])c1 ZINC000000122295 563571508 /nfs/dbraw/zinc/57/15/08/563571508.db2.gz JYUIGHULZMFAPH-UHFFFAOYSA-N 0 0 303.339 3.841 50 5 DHBARN COC(=O)c1cnc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000000127680 563571624 /nfs/dbraw/zinc/57/16/24/563571624.db2.gz NAYAHIXHOQSKND-UHFFFAOYSA-N 0 0 324.745 3.581 50 5 DHBARN CC(=O)c1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000000133514 563572225 /nfs/dbraw/zinc/57/22/25/563572225.db2.gz ZNEFIWVMSBEPKL-UHFFFAOYSA-N 0 0 318.716 3.703 50 5 DHBARN O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1C1CCCCC1 ZINC000000180263 563575736 /nfs/dbraw/zinc/57/57/36/563575736.db2.gz QVHCHTNCTBYPLL-HNNXBMFYSA-N 0 0 306.387 3.502 50 5 DHBARN Cc1ccc(C(=O)N(Cc2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000000247713 563581258 /nfs/dbraw/zinc/58/12/58/563581258.db2.gz XIDDYQJNFNIUNM-UHFFFAOYSA-N 0 0 312.369 3.954 50 5 DHBARN C[C@H](CC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1 ZINC000000303860 563587116 /nfs/dbraw/zinc/58/71/16/563587116.db2.gz KOGAOBYLOKITFY-LLVKDONJSA-N 0 0 302.305 3.866 50 5 DHBARN CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000000310858 563587345 /nfs/dbraw/zinc/58/73/45/563587345.db2.gz DDAMLLRZBXZMQN-UHFFFAOYSA-N 0 0 314.341 3.863 50 5 DHBARN Cc1cc(O)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1C ZINC000000330830 563588769 /nfs/dbraw/zinc/58/87/69/563588769.db2.gz XVQLCGVMHHYLEM-UHFFFAOYSA-N 0 0 320.732 3.823 50 5 DHBARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000004902416 563593066 /nfs/dbraw/zinc/59/30/66/563593066.db2.gz WKAWXRIUKQNKJT-INIZCTEOSA-N 0 0 314.341 3.699 50 5 DHBARN Cc1ccc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2n1 ZINC000011917245 563602230 /nfs/dbraw/zinc/60/22/30/563602230.db2.gz ZXTQUOZGYGTJLT-UHFFFAOYSA-N 0 0 307.309 3.704 50 5 DHBARN O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)c2cc3c(cc2N1)CCC3 ZINC000000427633 563611273 /nfs/dbraw/zinc/61/12/73/563611273.db2.gz HSBHLBCESVHRBD-HNNXBMFYSA-N 0 0 308.337 3.558 50 5 DHBARN Cc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)c1 ZINC000000444928 563615020 /nfs/dbraw/zinc/61/50/20/563615020.db2.gz QIJLIQVSGAPMRW-UHFFFAOYSA-N 0 0 314.341 3.538 50 5 DHBARN COc1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1[N+](=O)[O-] ZINC000002648186 563621598 /nfs/dbraw/zinc/62/15/98/563621598.db2.gz YSSVBEHYUCDHDP-UHFFFAOYSA-N 0 0 324.695 3.648 50 5 DHBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000000483178 563636948 /nfs/dbraw/zinc/63/69/48/563636948.db2.gz LWVCEMYGUGVIMB-CHWSQXEVSA-N 0 0 316.744 3.990 50 5 DHBARN O=C1c2cccc3cccc(c23)N1Cc1cccc([N+](=O)[O-])c1 ZINC000014737494 563641551 /nfs/dbraw/zinc/64/15/51/563641551.db2.gz WYTFMQHQGHHSDE-UHFFFAOYSA-N 0 0 304.305 3.908 50 5 DHBARN O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1nc(C2CC2)cs1 ZINC000000539337 563665137 /nfs/dbraw/zinc/66/51/37/563665137.db2.gz IIFYFWZNUJQQRM-UHFFFAOYSA-N 0 0 314.322 3.702 50 5 DHBARN O=C(Nc1nccs1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000000545070 563668181 /nfs/dbraw/zinc/66/81/81/563668181.db2.gz QLKJGNMZGZENRY-UHFFFAOYSA-N 0 0 315.310 3.564 50 5 DHBARN O=C(Nc1nc2c(cccc2Cl)s1)c1ccc([N+](=O)[O-])o1 ZINC000000567024 563670701 /nfs/dbraw/zinc/67/07/01/563670701.db2.gz JBTMPOGBTOJYHS-UHFFFAOYSA-N 0 0 323.717 3.703 50 5 DHBARN C[C@@H](Nc1ncnc2sccc21)c1cccc([N+](=O)[O-])c1 ZINC000052452000 563788490 /nfs/dbraw/zinc/78/84/90/563788490.db2.gz UUVVBMLAGLGOPO-SECBINFHSA-N 0 0 300.343 3.773 50 5 DHBARN O=[N+]([O-])c1cccnc1Sc1nc2ccccc2n1C(F)F ZINC000012506096 563796881 /nfs/dbraw/zinc/79/68/81/563796881.db2.gz GJQLNVLIFOWYPM-UHFFFAOYSA-N 0 0 322.296 3.886 50 5 DHBARN Cc1cccc(NC(=O)CCCNc2ccccc2[N+](=O)[O-])c1 ZINC000012556173 563801101 /nfs/dbraw/zinc/80/11/01/563801101.db2.gz ZUNNUFXYASYVHD-UHFFFAOYSA-N 0 0 313.357 3.734 50 5 DHBARN CC1(C)C[C@@]2(O[C@@H]2c2cccc([N+](=O)[O-])c2)C(=O)c2ccccc21 ZINC000001744776 563874536 /nfs/dbraw/zinc/87/45/36/563874536.db2.gz IDDOVPNRRHNRRQ-IEBWSBKVSA-N 0 0 323.348 3.969 50 5 DHBARN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1nccc2sccc21 ZINC000192466698 563885357 /nfs/dbraw/zinc/88/53/57/563885357.db2.gz WOSZTXXIMSJFJK-UHFFFAOYSA-N 0 0 313.338 3.765 50 5 DHBARN O=[N+]([O-])c1c2nsnc2ccc1SCCc1ccccc1 ZINC000036049447 563892114 /nfs/dbraw/zinc/89/21/14/563892114.db2.gz QMXQYCVSKADKIK-UHFFFAOYSA-N 0 0 317.395 3.934 50 5 DHBARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC000007399982 563905802 /nfs/dbraw/zinc/90/58/02/563905802.db2.gz IQGYVJNSOCTIKO-LLVKDONJSA-N 0 0 302.355 3.714 50 5 DHBARN Cc1cccc2cc3cnn(-c4cccc([N+](=O)[O-])c4)c3nc12 ZINC000170619003 563908606 /nfs/dbraw/zinc/90/86/06/563908606.db2.gz BBFZXMVQTZGDTA-UHFFFAOYSA-N 0 0 304.309 3.790 50 5 DHBARN Cc1ccc(CCc2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000002529499 563917392 /nfs/dbraw/zinc/91/73/92/563917392.db2.gz KPOQNWFKLHNDDP-UHFFFAOYSA-N 0 0 300.314 3.905 50 5 DHBARN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000010670574 563927927 /nfs/dbraw/zinc/92/79/27/563927927.db2.gz DVGRTJYBVPPYIC-SNVBAGLBSA-N 0 0 320.732 3.654 50 5 DHBARN Cc1cccc(C(=O)OC[C@H]2CCCC(F)(F)C2)c1[N+](=O)[O-] ZINC000225732005 563938471 /nfs/dbraw/zinc/93/84/71/563938471.db2.gz MGJFKZSLFSEDHS-NSHDSACASA-N 0 0 313.300 3.886 50 5 DHBARN Cc1c(NC(=O)CCCOc2ccccc2)cccc1[N+](=O)[O-] ZINC000002651364 563940105 /nfs/dbraw/zinc/94/01/05/563940105.db2.gz LGBXPIJELSNQSB-UHFFFAOYSA-N 0 0 314.341 3.701 50 5 DHBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1-n1cnc2ccccc21 ZINC000003094865 563942140 /nfs/dbraw/zinc/94/21/40/563942140.db2.gz VICSZRNMAZZUKY-UHFFFAOYSA-N 0 0 307.231 3.953 50 5 DHBARN Cc1ccccc1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000003213868 563942847 /nfs/dbraw/zinc/94/28/47/563942847.db2.gz JVQKGUFVSOYYJW-UHFFFAOYSA-N 0 0 313.338 3.765 50 5 DHBARN Cc1cccc(-c2nc(COc3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000032322083 563945475 /nfs/dbraw/zinc/94/54/75/563945475.db2.gz HAQTVVXEZICMAR-UHFFFAOYSA-N 0 0 311.297 3.532 50 5 DHBARN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(SC)c1 ZINC000008705371 563949703 /nfs/dbraw/zinc/94/97/03/563949703.db2.gz ILDGVXDNOIKCMU-UHFFFAOYSA-N 0 0 317.370 3.611 50 5 DHBARN CC(=O)c1c(C)c(C(=O)c2ccc([N+](=O)[O-])cc2)n2ccccc12 ZINC000008716930 563950042 /nfs/dbraw/zinc/95/00/42/563950042.db2.gz HUVPWJXYGFCHOJ-UHFFFAOYSA-N 0 0 322.320 3.590 50 5 DHBARN CSc1ccsc1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000069737007 563954434 /nfs/dbraw/zinc/95/44/34/563954434.db2.gz BNTWCNONWRPIFT-VIFPVBQESA-N 0 0 322.411 3.869 50 5 DHBARN O=C(N[C@@H](c1ccc(F)cc1)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000069808540 563954799 /nfs/dbraw/zinc/95/47/99/563954799.db2.gz CHZINFHOCIRSRJ-MRXNPFEDSA-N 0 0 314.316 3.615 50 5 DHBARN C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@H](c2ccccc2)O1 ZINC000070696050 563957179 /nfs/dbraw/zinc/95/71/79/563957179.db2.gz IDIFVISGSORTQY-IUODEOHRSA-N 0 0 318.398 3.618 50 5 DHBARN O=C(Oc1ccc2c(c1)CCC2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000071810458 563958763 /nfs/dbraw/zinc/95/87/63/563958763.db2.gz FFRKFTYUJDSTNP-UHFFFAOYSA-N 0 0 322.320 3.784 50 5 DHBARN Cc1cc(C)n(CCCNc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000012581948 1013028403 /nfs/dbraw/zinc/02/84/03/1013028403.db2.gz YVWQAAFJHVIHQZ-UHFFFAOYSA-N 0 0 308.769 3.564 50 5 DHBARN O=[N+]([O-])c1cccc([C@H]2NCc3ccccc3-n3cccc32)c1 ZINC000055211535 1019481791 /nfs/dbraw/zinc/48/17/91/1019481791.db2.gz ROSHMIXVPMKGBW-GOSISDBHSA-N 0 0 305.337 3.578 50 5 DHBARN Cc1ccc(NC(=O)CSc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000000469799 1019923803 /nfs/dbraw/zinc/92/38/03/1019923803.db2.gz LMMOKRSIVOFAIS-UHFFFAOYSA-N 0 0 320.345 3.773 50 5 DHBARN CCOc1ccccc1-c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000000467093 1019923812 /nfs/dbraw/zinc/92/38/12/1019923812.db2.gz ZOTJACQRXZYOSP-UHFFFAOYSA-N 0 0 311.297 3.711 50 5 DHBARN O=[N+]([O-])c1cc(Nc2ncnc3ccccc32)ccc1Cl ZINC000012082581 1023319811 /nfs/dbraw/zinc/31/98/11/1023319811.db2.gz HPIBMUKLOSIARH-UHFFFAOYSA-N 0 0 300.705 3.935 50 5 DHBARN Cc1ccnc(NCC2(c3ccncc3)CCCC2)c1[N+](=O)[O-] ZINC000095467550 185371995 /nfs/dbraw/zinc/37/19/95/185371995.db2.gz SKDAIUNKZWSVHJ-UHFFFAOYSA-N 0 0 312.373 3.617 50 5 DHBARN C[C@@H]1C[C@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000095458020 185370295 /nfs/dbraw/zinc/37/02/95/185370295.db2.gz BKZCACHWVNADIW-NXEZZACHSA-N 0 0 318.295 3.841 50 5 DHBARN CC[C@](O)(c1ccccc1)[C@@H](Cc1ccccc1)C[N+](C)(C)[O-] ZINC000071767246 191028982 /nfs/dbraw/zinc/02/89/82/191028982.db2.gz XXKGQKYISFNEFI-PMACEKPBSA-N 0 0 313.441 3.717 50 5 DHBARN CC(C)(C)C[C@@H]1CCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000071845375 191031797 /nfs/dbraw/zinc/03/17/97/191031797.db2.gz VAAKDHSTFGJNPW-JTQLQIEISA-N 0 0 308.407 3.709 50 5 DHBARN Cc1cc(C(=O)Oc2cccc3cccnc32)ccc1[N+](=O)[O-] ZINC000000063217 180681275 /nfs/dbraw/zinc/68/12/75/180681275.db2.gz IIESMOAWNGAGNK-UHFFFAOYSA-N 0 0 308.293 3.671 50 5 DHBARN Cc1[nH]c2ccccc2c1[C@H](C[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000000038210 180674759 /nfs/dbraw/zinc/67/47/59/180674759.db2.gz PQXYLOPWOYKWEP-QGZVFWFLSA-N 0 0 323.396 3.951 50 5 DHBARN C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1 ZINC000000303929 180753311 /nfs/dbraw/zinc/75/33/11/180753311.db2.gz RQJITJMAOXALKD-NSHDSACASA-N 0 0 302.305 3.866 50 5 DHBARN O=[N+]([O-])c1ccc(Sc2nccn2Cc2ccccc2)cc1 ZINC000000354998 180765225 /nfs/dbraw/zinc/76/52/25/180765225.db2.gz CBINBXQSHWRCHQ-UHFFFAOYSA-N 0 0 311.366 3.991 50 5 DHBARN O=C(CCNc1ccc(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000000732277 180832129 /nfs/dbraw/zinc/83/21/29/180832129.db2.gz RLZBSBWKCJMYRJ-UHFFFAOYSA-N 0 0 324.258 3.697 50 5 DHBARN O=[N+]([O-])c1ccc2c(c1)sc1c2-c2ccccc2S1(=O)=O ZINC000000972770 180838784 /nfs/dbraw/zinc/83/87/84/180838784.db2.gz LZCSIEFTXFBOSE-UHFFFAOYSA-N 0 0 317.347 3.623 50 5 DHBARN O=C(COc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000002627939 180940999 /nfs/dbraw/zinc/94/09/99/180940999.db2.gz ZMGRTRMDWFAEHL-UHFFFAOYSA-N 0 0 309.680 3.649 50 5 DHBARN CCOc1ccc(OCCCOc2ccccc2[N+](=O)[O-])cc1 ZINC000002983888 180974322 /nfs/dbraw/zinc/97/43/22/180974322.db2.gz CEFDXELNLQTWOY-UHFFFAOYSA-N 0 0 317.341 3.841 50 5 DHBARN O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccco1 ZINC000003510833 181028073 /nfs/dbraw/zinc/02/80/73/181028073.db2.gz WQQWIITWGHLFPH-UHFFFAOYSA-N 0 0 320.300 3.896 50 5 DHBARN CCCCOc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1OCCCC ZINC000003882231 181052379 /nfs/dbraw/zinc/05/23/79/181052379.db2.gz NETYSAHPGMQPJV-UHFFFAOYSA-N 0 0 312.322 3.861 50 5 DHBARN COc1ccc2[nH]c3c([N+](=O)[O-])ccc(Cl)c3c(=O)c2c1 ZINC000003833331 181048043 /nfs/dbraw/zinc/04/80/43/181048043.db2.gz WUQQKUISNKRKFK-UHFFFAOYSA-N 0 0 304.689 3.664 50 5 DHBARN O=[N+]([O-])c1c(NCc2cccc(Cl)c2)nc2sccn21 ZINC000004024237 181063726 /nfs/dbraw/zinc/06/37/26/181063726.db2.gz MVZJMLTVHBOSHV-UHFFFAOYSA-N 0 0 308.750 3.570 50 5 DHBARN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004040204 181065648 /nfs/dbraw/zinc/06/56/48/181065648.db2.gz GCAODBKBYBDHOH-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN Cc1ccc(C)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000004043745 181066585 /nfs/dbraw/zinc/06/65/85/181066585.db2.gz LTQKSUNCPVIZQA-UHFFFAOYSA-N 0 0 314.341 3.538 50 5 DHBARN COc1ccc(NC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000004010609 181061897 /nfs/dbraw/zinc/06/18/97/181061897.db2.gz KZRYTHSRUPNQFA-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN COc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004010487 181061914 /nfs/dbraw/zinc/06/19/14/181061914.db2.gz LQBQEIRQPJVQJZ-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN O=C(Nc1ccc(-n2cccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000004049824 181067022 /nfs/dbraw/zinc/06/70/22/181067022.db2.gz FAOYUZMJRNCSGM-UHFFFAOYSA-N 0 0 307.309 3.638 50 5 DHBARN Cc1cc2cc(CNC(=O)c3cccc([N+](=O)[O-])c3C)ccc2[nH]1 ZINC000004138064 181078135 /nfs/dbraw/zinc/07/81/35/181078135.db2.gz RHDBNYUXWSUWOZ-UHFFFAOYSA-N 0 0 323.352 3.623 50 5 DHBARN CCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000004542411 181122351 /nfs/dbraw/zinc/12/23/51/181122351.db2.gz NAYZCZLSQWCEQO-UHFFFAOYSA-N 0 0 320.732 3.899 50 5 DHBARN Cc1ccc(NC(=O)COc2cccc(C)c2C)c([N+](=O)[O-])c1 ZINC000004699719 181138915 /nfs/dbraw/zinc/13/89/15/181138915.db2.gz WVWNVYQAEIGYNI-UHFFFAOYSA-N 0 0 314.341 3.538 50 5 DHBARN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000004833383 181159358 /nfs/dbraw/zinc/15/93/58/181159358.db2.gz DTAIZIFPGHFSSA-ZDUSSCGKSA-N 0 0 314.341 3.618 50 5 DHBARN O=C(NC1CCCCC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000004858731 181164708 /nfs/dbraw/zinc/16/47/08/181164708.db2.gz KJCOAUVZDAEXOK-UHFFFAOYSA-N 0 0 314.341 3.917 50 5 DHBARN Cc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000004892556 181168523 /nfs/dbraw/zinc/16/85/23/181168523.db2.gz FQFXYYAJXMUDKL-FNORWQNLSA-N 0 0 306.705 3.802 50 5 DHBARN O=C(CCCc1ccccc1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000004901877 181170464 /nfs/dbraw/zinc/17/04/64/181170464.db2.gz DOGOHRAZQDFKDX-UHFFFAOYSA-N 0 0 302.305 3.695 50 5 DHBARN O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000005003134 181189190 /nfs/dbraw/zinc/18/91/90/181189190.db2.gz KCZSPQZQXIWDLT-UHFFFAOYSA-N 0 0 321.130 3.610 50 5 DHBARN O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1Cl)c1cccnc1 ZINC000004997001 181187372 /nfs/dbraw/zinc/18/73/72/181187372.db2.gz RGSSJVQGKHHWRY-UHFFFAOYSA-N 0 0 312.112 3.549 50 5 DHBARN Cc1ccc(NC(=O)COc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000005023505 181191591 /nfs/dbraw/zinc/19/15/91/181191591.db2.gz UFTPZDQTJNNRCE-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(F)cc1C ZINC000005041779 181195213 /nfs/dbraw/zinc/19/52/13/181195213.db2.gz PDTASQGNEPXZAH-UHFFFAOYSA-N 0 0 319.292 3.695 50 5 DHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(F)cc1F ZINC000005041436 181195587 /nfs/dbraw/zinc/19/55/87/181195587.db2.gz QUTJYKWVDDQSCH-UHFFFAOYSA-N 0 0 307.256 3.825 50 5 DHBARN O=C(Cc1ccc([N+](=O)[O-])cc1)OCc1c(F)cccc1Cl ZINC000005060031 181198452 /nfs/dbraw/zinc/19/84/52/181198452.db2.gz ATBMJCFIMUJGKP-UHFFFAOYSA-N 0 0 323.707 3.673 50 5 DHBARN CCOc1cccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000005094541 181203349 /nfs/dbraw/zinc/20/33/49/181203349.db2.gz PIZFTHLNBRGZMO-UHFFFAOYSA-N 0 0 300.314 3.554 50 5 DHBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H]1CCCc2ccccc21 ZINC000005442882 181243427 /nfs/dbraw/zinc/24/34/27/181243427.db2.gz MDMFRPNFIXSSMB-HGZMWJMZSA-N 0 0 322.364 3.802 50 5 DHBARN CCOc1ccccc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000005464194 181246880 /nfs/dbraw/zinc/24/68/80/181246880.db2.gz RNXVMZUODFQNBK-UHFFFAOYSA-N 0 0 300.314 3.554 50 5 DHBARN CSc1ccc(C(=O)Nc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000005558315 181256813 /nfs/dbraw/zinc/25/68/13/181256813.db2.gz VGTFCSCWUBAQTP-UHFFFAOYSA-N 0 0 302.355 3.877 50 5 DHBARN CSc1cccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1 ZINC000005560234 181257268 /nfs/dbraw/zinc/25/72/68/181257268.db2.gz WZDFIICUIPEHTH-UHFFFAOYSA-N 0 0 302.355 3.877 50 5 DHBARN Nc1cc([N+](=O)[O-])ccc1Nc1ccc(Br)cc1 ZINC000005660130 181268734 /nfs/dbraw/zinc/26/87/34/181268734.db2.gz FWPQHNOYYZCZDF-UHFFFAOYSA-N 0 0 308.135 3.683 50 5 DHBARN O=C(COc1ccc2ccccc2c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000005669998 181269450 /nfs/dbraw/zinc/26/94/50/181269450.db2.gz JXGBNPVGLLOHEN-UHFFFAOYSA-N 0 0 322.320 3.766 50 5 DHBARN Cc1ccc(NC(=O)CNc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000005701361 181274280 /nfs/dbraw/zinc/27/42/80/181274280.db2.gz CWDZZLMUWHVZMS-UHFFFAOYSA-N 0 0 319.748 3.607 50 5 DHBARN COc1ccc(C(=O)O[C@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000005739744 181279422 /nfs/dbraw/zinc/27/94/22/181279422.db2.gz WTXKKWPFLBGLPK-SNVBAGLBSA-N 0 0 319.288 3.661 50 5 DHBARN C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)c1ccc2c(c1)CCC2 ZINC000005869530 181291682 /nfs/dbraw/zinc/29/16/82/181291682.db2.gz NVTJLAFOHXWWES-GFCCVEGCSA-N 0 0 311.337 3.734 50 5 DHBARN CCS[C@@H](C)c1noc(COc2cccc(C)c2[N+](=O)[O-])n1 ZINC000089274834 192756705 /nfs/dbraw/zinc/75/67/05/192756705.db2.gz YBZUKNJHQZGCNM-JTQLQIEISA-N 0 0 323.374 3.679 50 5 DHBARN C[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1ccncc1 ZINC000193370914 201041857 /nfs/dbraw/zinc/04/18/57/201041857.db2.gz GOIMIKSPMFRGDQ-SECBINFHSA-N 0 0 309.272 3.764 50 5 DHBARN O=C(Nc1cc(F)ccc1F)c1ccc([N+](=O)[O-])cc1Cl ZINC000006376634 181335160 /nfs/dbraw/zinc/33/51/60/181335160.db2.gz RNXBKSNTTZCOOH-UHFFFAOYSA-N 0 0 312.659 3.779 50 5 DHBARN COc1cc(C=O)ccc1Oc1ccc([N+](=O)[O-])cc1Cl ZINC000006640933 181363580 /nfs/dbraw/zinc/36/35/80/181363580.db2.gz HINYIUMRCHDSBM-UHFFFAOYSA-N 0 0 307.689 3.862 50 5 DHBARN CN(Cc1ccco1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000008883697 181589695 /nfs/dbraw/zinc/58/96/95/181589695.db2.gz JGNRUYBTEIGNKN-UHFFFAOYSA-N 0 0 316.338 3.675 50 5 DHBARN CC(=O)Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21 ZINC000009422015 181620519 /nfs/dbraw/zinc/62/05/19/181620519.db2.gz FHSRHPRYGCYQNA-UHFFFAOYSA-N 0 0 309.756 3.980 50 5 DHBARN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1 ZINC000014814408 181971811 /nfs/dbraw/zinc/97/18/11/181971811.db2.gz ROSJGGCLXDVJLD-UHFFFAOYSA-N 0 0 319.748 3.689 50 5 DHBARN O=C(Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1ccco1 ZINC000015837910 182021274 /nfs/dbraw/zinc/02/12/74/182021274.db2.gz RCERSYFKWSURAX-CYBMUJFWSA-N 0 0 301.302 3.557 50 5 DHBARN O=C(Nc1cc(F)cc(F)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000018253834 182101016 /nfs/dbraw/zinc/10/10/16/182101016.db2.gz DOQZGRHQLWGXMB-UHFFFAOYSA-N 0 0 312.659 3.779 50 5 DHBARN O=[N+]([O-])c1ccc2c(c1)C=C1CCCC[C@@]1(N1CCCC1)O2 ZINC000019904340 182162283 /nfs/dbraw/zinc/16/22/83/182162283.db2.gz KVFKCSNCZVQICP-QGZVFWFLSA-N 0 0 300.358 3.737 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1NCc1nc(-c2ccccc2C)no1 ZINC000022357486 182319365 /nfs/dbraw/zinc/31/93/65/182319365.db2.gz PIYMBKASEGCHQO-UHFFFAOYSA-N 0 0 324.340 3.874 50 5 DHBARN Cc1ccc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000023040611 182345694 /nfs/dbraw/zinc/34/56/94/182345694.db2.gz ZLSFXWGZAUBPBO-UHFFFAOYSA-N 0 0 312.369 3.792 50 5 DHBARN CC(C)CC(=O)Nc1ccc(Nc2ncccc2[N+](=O)[O-])cc1 ZINC000023055210 182346202 /nfs/dbraw/zinc/34/62/02/182346202.db2.gz SETBWABDZCEWLC-UHFFFAOYSA-N 0 0 314.345 3.718 50 5 DHBARN Cc1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000029797038 182577238 /nfs/dbraw/zinc/57/72/38/182577238.db2.gz KHBBVTTWVIHIFY-CYBMUJFWSA-N 0 0 316.382 3.942 50 5 DHBARN C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000032841235 182670493 /nfs/dbraw/zinc/67/04/93/182670493.db2.gz SHQBQKCVAUCDRH-LLVKDONJSA-N 0 0 317.320 3.959 50 5 DHBARN O=[N+]([O-])c1c(N2CCC[C@@H]2c2ccsc2)nc2sccn21 ZINC000040153687 183040792 /nfs/dbraw/zinc/04/07/92/183040792.db2.gz AYMQIQDRSACMTA-SNVBAGLBSA-N 0 0 320.399 3.707 50 5 DHBARN Cc1ccc([C@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000040095688 183034379 /nfs/dbraw/zinc/03/43/79/183034379.db2.gz AMGKENADPHTJFW-NSHDSACASA-N 0 0 303.318 3.687 50 5 DHBARN Cc1cc(CNC(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1F ZINC000040099055 183034846 /nfs/dbraw/zinc/03/48/46/183034846.db2.gz RSATWNKIPCACSK-UHFFFAOYSA-N 0 0 317.320 3.672 50 5 DHBARN C[C@H]1C[C@H]1c1ccc(CN(c2ccc([N+](=O)[O-])cn2)C2CC2)o1 ZINC000042103220 183233011 /nfs/dbraw/zinc/23/30/11/183233011.db2.gz OXSNLTORUFKFTL-XHDPSFHLSA-N 0 0 313.357 3.875 50 5 DHBARN Cc1ccsc1CN(C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000043346779 183356679 /nfs/dbraw/zinc/35/66/79/183356679.db2.gz YJBHSLDGIJXETM-UHFFFAOYSA-N 0 0 319.386 3.937 50 5 DHBARN CC[C@@H](C)N1COc2ccc3c4ccccc4c(=O)oc3c2C1 ZINC000057142753 184028258 /nfs/dbraw/zinc/02/82/58/184028258.db2.gz VCLKDGKECFHWOA-GFCCVEGCSA-N 0 0 309.365 3.897 50 5 DHBARN CCCCNc1cc(OC)c(Br)cc1[N+](=O)[O-] ZINC000065336898 184324953 /nfs/dbraw/zinc/32/49/53/184324953.db2.gz LJMISLNQOMYFLF-UHFFFAOYSA-N 0 0 303.156 3.578 50 5 DHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@H](C)c1ccco1 ZINC000156033423 197081941 /nfs/dbraw/zinc/08/19/41/197081941.db2.gz MOVMYSUAFYOTEZ-LLVKDONJSA-N 0 0 303.318 3.721 50 5 DHBARN C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000017744362 331575583 /nfs/dbraw/zinc/57/55/83/331575583.db2.gz BQDQTNDUPIYBLG-NSHDSACASA-N 0 0 317.320 3.959 50 5 DHBARN Cc1cc2cc[nH]c2cc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000390835760 336947310 /nfs/dbraw/zinc/94/73/10/336947310.db2.gz XSAMLZGECNGTAT-UHFFFAOYSA-N 0 0 323.352 3.956 50 5 DHBARN Cc1occc1SCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000131318949 337383130 /nfs/dbraw/zinc/38/31/30/337383130.db2.gz MMBTXDBWQBOGTB-UHFFFAOYSA-N 0 0 317.326 3.839 50 5 DHBARN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)sc1C(C)C ZINC000003163337 563569653 /nfs/dbraw/zinc/56/96/53/563569653.db2.gz LCTJYYZSWJMKCR-UHFFFAOYSA-N 0 0 305.359 3.735 50 5 DHBARN COc1cccc2c1O[C@H](c1ccc(F)cc1)C([N+](=O)[O-])=C2 ZINC000000103615 563217569 /nfs/dbraw/zinc/21/75/69/563217569.db2.gz FGJUZEYOBVZJGV-OAHLLOKOSA-N 0 0 301.273 3.586 50 5 DHBARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NCc1ccccc1 ZINC000002534632 563330841 /nfs/dbraw/zinc/33/08/41/563330841.db2.gz PJBINEMZVFHXBU-VQHVLOKHSA-N 0 0 316.744 3.578 50 5 DHBARN COc1cc([N+](=O)[O-])c(OC)cc1Sc1ccc(F)cc1 ZINC000032826078 563400349 /nfs/dbraw/zinc/40/03/49/563400349.db2.gz GBOYLJOZKCDLMP-UHFFFAOYSA-N 0 0 309.318 3.902 50 5 DHBARN Cc1cccc2cc3c(nc12)oc1cc2c(cc1c3=O)OCO2 ZINC000032831573 563401042 /nfs/dbraw/zinc/40/10/42/563401042.db2.gz XYZNEGMFHKEVRQ-UHFFFAOYSA-N 0 0 305.289 3.532 50 5 DHBARN Cc1ccc2cc3c(nc2c1)oc1cc2c(cc1c3=O)OCO2 ZINC000032831570 563401119 /nfs/dbraw/zinc/40/11/19/563401119.db2.gz IGWPLCYOFPXENL-UHFFFAOYSA-N 0 0 305.289 3.532 50 5 DHBARN CNc1ccc(C(=O)N(C)[C@@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000032842013 563401575 /nfs/dbraw/zinc/40/15/75/563401575.db2.gz VYOYISJFORMTPD-JTQLQIEISA-N 0 0 319.386 3.531 50 5 DHBARN CN(C)C(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000032923601 563412800 /nfs/dbraw/zinc/41/28/00/563412800.db2.gz WAXWXJYGPFUYKL-UHFFFAOYSA-N 0 0 320.732 3.742 50 5 DHBARN Cn1c2nc3ccc(Br)cc3c-2nc2ccccc21 ZINC000000241056 563413642 /nfs/dbraw/zinc/41/36/42/563413642.db2.gz BCPSOHZQMCMKKI-UHFFFAOYSA-N 0 0 312.170 3.989 50 5 DHBARN Cc1cccc(-c2cc(NC(=O)c3ccccc3[N+](=O)[O-])n[nH]2)c1 ZINC000000442950 563447565 /nfs/dbraw/zinc/44/75/65/563447565.db2.gz ISSOKFFIRYDGMB-UHFFFAOYSA-N 0 0 322.324 3.546 50 5 DHBARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])o1 ZINC000000045667 563508180 /nfs/dbraw/zinc/50/81/80/563508180.db2.gz CTRXVTSQAGACKW-UHFFFAOYSA-N 0 0 301.085 3.747 50 5 DHBARN Cc1ccc(C(=O)Oc2cccc3cccnc32)cc1[N+](=O)[O-] ZINC000000062701 563516911 /nfs/dbraw/zinc/51/69/11/563516911.db2.gz ZMVIFAYLQHCCHY-UHFFFAOYSA-N 0 0 308.293 3.671 50 5 DHBARN Cc1cc(C)n([C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)n1 ZINC000000075199 563520332 /nfs/dbraw/zinc/52/03/32/563520332.db2.gz ZQTBCWPIVUUWHI-ZDUSSCGKSA-N 0 0 314.172 3.673 50 5 DHBARN Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000092327 563527681 /nfs/dbraw/zinc/52/76/81/563527681.db2.gz QCWVWKAOWRJFCR-UHFFFAOYSA-N 0 0 314.341 3.985 50 5 DHBARN O=[N+]([O-])c1cc(-c2nnc(-c3ccccc3)o2)ccc1Cl ZINC000000089636 563527722 /nfs/dbraw/zinc/52/77/22/563527722.db2.gz VUYSLTQDIINKEJ-UHFFFAOYSA-N 0 0 301.689 3.965 50 5 DHBARN C[C@H]([C@H](Sc1ccccc1N)c1ccc(F)cc1)[N+](=O)[O-] ZINC000000101699 563543508 /nfs/dbraw/zinc/54/35/08/563543508.db2.gz IAUBGYJDSOMRFE-BMIGLBTASA-N 0 0 306.362 3.907 50 5 DHBARN C[C@H](Sc1nnc(-c2ccc[nH]2)o1)c1cccc([N+](=O)[O-])c1 ZINC000014226580 563561727 /nfs/dbraw/zinc/56/17/27/563561727.db2.gz JNHIDVNMADBEOP-VIFPVBQESA-N 0 0 316.342 3.826 50 5 DHBARN O=[N+]([O-])c1c(Cl)cc(I)cc1Cl ZINC000263622748 563567889 /nfs/dbraw/zinc/56/78/89/563567889.db2.gz ANPCMOALGYULPF-UHFFFAOYSA-N 0 0 317.897 3.506 50 5 DHBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000003157490 563567823 /nfs/dbraw/zinc/56/78/23/563567823.db2.gz SHPRNLHJSJSLCM-UHFFFAOYSA-N 0 0 321.130 3.610 50 5 DHBARN O=c1c([N+](=O)[O-])c(Cl)c2ccccc2n1-c1ccccc1 ZINC000000162517 563573943 /nfs/dbraw/zinc/57/39/43/563573943.db2.gz XMVBIQDOMQZCFV-UHFFFAOYSA-N 0 0 300.701 3.552 50 5 DHBARN Cc1cc2nc(-c3cccc([N+](=O)[O-])c3)cc(C(F)(F)F)n2n1 ZINC000000171364 563574647 /nfs/dbraw/zinc/57/46/47/563574647.db2.gz CFNFUPYNGAMFKE-UHFFFAOYSA-N 0 0 322.246 3.632 50 5 DHBARN Cc1cccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000000170988 563574793 /nfs/dbraw/zinc/57/47/93/563574793.db2.gz QWANHXCQNXVNLC-UHFFFAOYSA-N 0 0 323.308 3.811 50 5 DHBARN O=C1c2cccc3c2c(ccc3[N+](=O)[O-])C(=O)N1c1ccccc1 ZINC000000194090 563576572 /nfs/dbraw/zinc/57/65/72/563576572.db2.gz UKTYWLRUFLFRCF-UHFFFAOYSA-N 0 0 318.288 3.549 50 5 DHBARN Cc1cc(=O)oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc12 ZINC000000237741 563579551 /nfs/dbraw/zinc/57/95/51/563579551.db2.gz VRNBIJBFDMJWTP-UHFFFAOYSA-N 0 0 311.293 3.589 50 5 DHBARN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1F ZINC000000288028 563584135 /nfs/dbraw/zinc/58/41/35/563584135.db2.gz VRBCYMUOYNFGMZ-UHFFFAOYSA-N 0 0 317.301 3.596 50 5 DHBARN COc1ccc(C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000000284749 563584315 /nfs/dbraw/zinc/58/43/15/563584315.db2.gz PSRZNIHUOHLXFL-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN COc1cc(CNc2ccc(F)cc2C)c([N+](=O)[O-])cc1OC ZINC000000293352 563584602 /nfs/dbraw/zinc/58/46/02/563584602.db2.gz QNBNDHJZAPARFR-UHFFFAOYSA-N 0 0 320.320 3.672 50 5 DHBARN C[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1 ZINC000000303931 563586667 /nfs/dbraw/zinc/58/66/67/563586667.db2.gz RQJITJMAOXALKD-LLVKDONJSA-N 0 0 302.305 3.866 50 5 DHBARN CSc1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000000315971 563587591 /nfs/dbraw/zinc/58/75/91/563587591.db2.gz OWNGPFQHSHGTAV-UHFFFAOYSA-N 0 0 302.355 3.877 50 5 DHBARN O=C(Nc1ccccc1-n1cccc1)c1ccc([N+](=O)[O-])cc1 ZINC000000384165 563591806 /nfs/dbraw/zinc/59/18/06/563591806.db2.gz NHRLFIZVZHVGLN-UHFFFAOYSA-N 0 0 307.309 3.638 50 5 DHBARN O=C(NCCc1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000005013980 563595786 /nfs/dbraw/zinc/59/57/86/563595786.db2.gz GRNGMAABIXVIRQ-UHFFFAOYSA-N 0 0 319.748 3.612 50 5 DHBARN CC(C)O[C@]1(c2ccc([N+](=O)[O-])cc2)COc2ccccc2O1 ZINC000000494151 563650320 /nfs/dbraw/zinc/65/03/20/563650320.db2.gz JGTRFAURDIUHDD-QGZVFWFLSA-N 0 0 315.325 3.644 50 5 DHBARN Cc1cccc2sc(NC(=O)c3ccc([N+](=O)[O-])s3)nc21 ZINC000000567902 563671434 /nfs/dbraw/zinc/67/14/34/563671434.db2.gz SHDKEVUEPAUFKS-UHFFFAOYSA-N 0 0 319.367 3.827 50 5 DHBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1c1ccc[nH]1 ZINC000048342985 563697156 /nfs/dbraw/zinc/69/71/56/563697156.db2.gz UPJPBQLHZALEPD-AWEZNQCLSA-N 0 0 319.748 3.554 50 5 DHBARN O=[N+]([O-])c1nn(Cc2ccc(Cl)cc2Cl)cc1Cl ZINC000000614327 563698665 /nfs/dbraw/zinc/69/86/65/563698665.db2.gz AZCMKTCWZNIFDC-UHFFFAOYSA-N 0 0 306.536 3.800 50 5 DHBARN Cc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000000859826 563772368 /nfs/dbraw/zinc/77/23/68/563772368.db2.gz OPSGNKISLZMSJT-UHFFFAOYSA-N 0 0 308.696 3.948 50 5 DHBARN O=C(Nc1ccc(Cl)cc1)Nc1ccccc1CC[N+](=O)[O-] ZINC000001385850 563813693 /nfs/dbraw/zinc/81/36/93/563813693.db2.gz IPLYNWJUEWPOEY-UHFFFAOYSA-N 0 0 319.748 3.803 50 5 DHBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)c1ncnc2sccc21 ZINC000012932796 563856007 /nfs/dbraw/zinc/85/60/07/563856007.db2.gz BHVFDOATWWGMIP-SNVBAGLBSA-N 0 0 314.370 3.797 50 5 DHBARN CCC(=O)Nc1nnc2c3ccccc3c3ccccc3c2n1 ZINC000075280052 563862703 /nfs/dbraw/zinc/86/27/03/563862703.db2.gz GZTXAIZOXBCFHZ-UHFFFAOYSA-N 0 0 302.337 3.680 50 5 DHBARN O=C(Oc1ccc2c(c1)oc(=O)c1ccccc12)c1ccco1 ZINC000000086985 563886576 /nfs/dbraw/zinc/88/65/76/563886576.db2.gz YYTRLXXIEMDJIO-UHFFFAOYSA-N 0 0 306.273 3.758 50 5 biogenic DHBARN COc1ccc(F)cc1[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000192807776 563894562 /nfs/dbraw/zinc/89/45/62/563894562.db2.gz VNDXWUIVLVSADR-LLVKDONJSA-N 0 0 304.321 3.593 50 5 DHBARN Cc1cccc(C(=O)N[C@@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC000006868221 563897500 /nfs/dbraw/zinc/89/75/00/563897500.db2.gz IUJIAFIGWFWHHX-MRXNPFEDSA-N 0 0 310.353 3.711 50 5 DHBARN O=[N+]([O-])c1cccc(NCc2coc(-c3cccs3)n2)c1 ZINC000007116025 563903216 /nfs/dbraw/zinc/90/32/16/563903216.db2.gz PSIGNKPKWTVEDR-UHFFFAOYSA-N 0 0 301.327 3.923 50 5 DHBARN O=C1Nc2cc(Cl)c([N+](=O)[O-])cc2/C1=C\c1ccc(F)cc1 ZINC000036759191 563904014 /nfs/dbraw/zinc/90/40/14/563904014.db2.gz OGGIFIWJOACBEL-VZUCSPMQSA-N 0 0 318.691 3.880 50 5 DHBARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000239439094 563905437 /nfs/dbraw/zinc/90/54/37/563905437.db2.gz ZKBASTWKARGWAQ-ISTVAULSSA-N 0 0 310.781 3.803 50 5 DHBARN O=[N+]([O-])c1ccc(CNc2nnc(-c3ccco3)o2)c(Cl)c1 ZINC000170594120 563907144 /nfs/dbraw/zinc/90/71/44/563907144.db2.gz OZLLTJRRVCFTJT-UHFFFAOYSA-N 0 0 320.692 3.503 50 5 DHBARN Cc1cccn2cc(COc3ccc([N+](=O)[O-])cc3Cl)nc12 ZINC000009909303 563909043 /nfs/dbraw/zinc/90/90/43/563909043.db2.gz PUYOWALERBOKDS-UHFFFAOYSA-N 0 0 317.732 3.783 50 5 DHBARN O=C1NC(=S)SC1=Cc1cc([N+](=O)[O-])ccc1Cl ZINC000017030621 563912549 /nfs/dbraw/zinc/91/25/49/563912549.db2.gz WPMKYQLVGMURCI-YWEYNIOJSA-N 0 0 300.748 3.577 50 5 DHBARN Cc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC000007651950 563917662 /nfs/dbraw/zinc/91/76/62/563917662.db2.gz YALVZEMBUOMWFH-UHFFFAOYSA-N 0 0 311.341 3.730 50 5 DHBARN CCn1ccnc1[C@@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000281158326 563932111 /nfs/dbraw/zinc/93/21/11/563932111.db2.gz PMNGHCYDSBWIFY-INIZCTEOSA-N 0 0 314.389 3.538 50 5 DHBARN CC(C)c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000096111303 563935510 /nfs/dbraw/zinc/93/55/10/563935510.db2.gz GZLABTWMVIPPEQ-UHFFFAOYSA-N 0 0 320.370 3.519 50 5 DHBARN C[C@H](C(=O)Nc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000002648353 563939894 /nfs/dbraw/zinc/93/98/94/563939894.db2.gz TVKQWSKTNULOFD-JTQLQIEISA-N 0 0 304.733 3.990 50 5 DHBARN O=C(NCCCc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000002983157 563941411 /nfs/dbraw/zinc/94/14/11/563941411.db2.gz XLOGHENHNSKHQM-UHFFFAOYSA-N 0 0 318.760 3.611 50 5 DHBARN COc1cccc(OCCCOc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000002985136 563941462 /nfs/dbraw/zinc/94/14/62/563941462.db2.gz ICXVYNQYTHEFHO-UHFFFAOYSA-N 0 0 317.341 3.760 50 5 DHBARN O=C(NC1CCCC1)c1ccc(NC2CCCC2)c([N+](=O)[O-])c1 ZINC000007987974 563945959 /nfs/dbraw/zinc/94/59/59/563945959.db2.gz BTCYIHUEHOCJFE-UHFFFAOYSA-N 0 0 317.389 3.622 50 5 DHBARN Cc1cc(O[C@H](C)C(=O)NC2CCCCCC2)ccc1[N+](=O)[O-] ZINC000008257104 563947368 /nfs/dbraw/zinc/94/73/68/563947368.db2.gz MYMCIDJMTMMPOC-CYBMUJFWSA-N 0 0 320.389 3.510 50 5 DHBARN Cc1cc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000009112008 563952503 /nfs/dbraw/zinc/95/25/03/563952503.db2.gz HHSLSEQLWQJNEK-XJKSGUPXSA-N 0 0 302.374 3.698 50 5 DHBARN Cc1ccc(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000466165 1019923092 /nfs/dbraw/zinc/92/30/92/1019923092.db2.gz BPRKXLICDIPYAI-UHFFFAOYSA-N 0 0 304.733 3.738 50 5 DHBARN C[C@@H](Sc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000460189 1019923695 /nfs/dbraw/zinc/92/36/95/1019923695.db2.gz PGBMSWSZZUNCBC-LLVKDONJSA-N 0 0 302.355 3.714 50 5 DHBARN O=[N+]([O-])c1ccc(CC(Cl)=Nc2ccccn2)c([N+](=O)[O-])c1 ZINC000102975742 1024437389 /nfs/dbraw/zinc/43/73/89/1024437389.db2.gz NVBDCHLEDMIMPL-KPKJPENVSA-N 0 0 320.692 3.547 50 5 DHBARN O=C(Nc1nc2cc([N+](=O)[O-])ccc2s1)C1CCCCC1 ZINC000000911881 1024515039 /nfs/dbraw/zinc/51/50/39/1024515039.db2.gz PMCVHFCDSXZWIU-UHFFFAOYSA-N 0 0 305.359 3.723 50 5 DHBARN Cc1noc([N+](=O)[O-])c1/C=C/c1c(C)nn(-c2ccccc2)c1C ZINC000015686448 1026745324 /nfs/dbraw/zinc/74/53/24/1026745324.db2.gz FYCDWZCJJBVSQK-MDZDMXLPSA-N 0 0 324.340 3.864 50 5 DHBARN CCC1(NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000585121005 1029793583 /nfs/dbraw/zinc/79/35/83/1029793583.db2.gz BNKLJFXCQSAGIE-UHFFFAOYSA-N 0 0 321.135 3.713 50 5 DHBARN Cc1cnc(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)o1 ZINC000090101801 185282113 /nfs/dbraw/zinc/28/21/13/185282113.db2.gz JXUDQZLJDBLIHX-UHFFFAOYSA-N 0 0 310.313 3.565 50 5 DHBARN CCOc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000000467109 190614434 /nfs/dbraw/zinc/61/44/34/190614434.db2.gz AEBZRWVTZQIYSW-UHFFFAOYSA-N 0 0 311.297 3.711 50 5 DHBARN Cc1cc(C(=O)COc2ccc([N+](=O)[O-])cc2)c(C)n1C1CC1 ZINC000003515377 190618348 /nfs/dbraw/zinc/61/83/48/190618348.db2.gz VROZZQPUKPEVGI-UHFFFAOYSA-N 0 0 314.341 3.610 50 5 DHBARN Cc1csc([C@@H](NCc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000095403012 185354789 /nfs/dbraw/zinc/35/47/89/185354789.db2.gz IUJZNGMGHSJOGG-AWEZNQCLSA-N 0 0 303.387 3.601 50 5 DHBARN Cc1cc(N2CCC[C@H]2c2nc3ccccc3[nH]2)ncc1[N+](=O)[O-] ZINC000095411533 185357603 /nfs/dbraw/zinc/35/76/03/185357603.db2.gz DYLXEEFPAGPVIF-AWEZNQCLSA-N 0 0 323.356 3.516 50 5 DHBARN O=[N+]([O-])c1ccc(N2CC=C(c3ccc(F)cc3)C2)c(F)c1 ZINC000095455234 185369900 /nfs/dbraw/zinc/36/99/00/185369900.db2.gz ONAJXWMMMZMYMO-UHFFFAOYSA-N 0 0 302.280 3.777 50 5 DHBARN COC(=O)c1ccc(NSc2ccccc2[N+](=O)[O-])cc1 ZINC000000048246 180677454 /nfs/dbraw/zinc/67/74/54/180677454.db2.gz BROHOKDBKPSZNX-UHFFFAOYSA-N 0 0 304.327 3.501 50 5 DHBARN CC1(C)Cc2ccccc2-c2nnc(-c3ccccc3[N+](=O)[O-])n21 ZINC000000073330 180684125 /nfs/dbraw/zinc/68/41/25/180684125.db2.gz UFRKHATYXVKTCI-UHFFFAOYSA-N 0 0 320.352 3.812 50 5 DHBARN Cc1cc(Nc2ccccc2)nn1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000323813 180759243 /nfs/dbraw/zinc/75/92/43/180759243.db2.gz MIKIQKIZQRCLBP-UHFFFAOYSA-N 0 0 322.324 3.532 50 5 DHBARN CSc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000000473144 180802096 /nfs/dbraw/zinc/80/20/96/180802096.db2.gz VQPMALUJCXTRTJ-JXMROGBWSA-N 0 0 314.366 3.969 50 5 DHBARN CCOC(=O)Cn1c2nc3ccccc3nc2c2cccc(C)c21 ZINC000000532945 180815231 /nfs/dbraw/zinc/81/52/31/180815231.db2.gz RYKJRVBECZEIBN-UHFFFAOYSA-N 0 0 319.364 3.609 50 5 DHBARN Cc1cc(C(=O)N[C@H](C)CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000000859659 180836006 /nfs/dbraw/zinc/83/60/06/180836006.db2.gz UYQVQUBXEJVYBS-CQSZACIVSA-N 0 0 312.369 3.654 50 5 DHBARN COc1ccccc1-c1cn(-c2ccc([N+](=O)[O-])cc2)nc1C ZINC000001390448 180858904 /nfs/dbraw/zinc/85/89/04/180858904.db2.gz OSGZNTKFGWNHMI-UHFFFAOYSA-N 0 0 309.325 3.765 50 5 DHBARN Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1[N+](=O)[O-] ZINC000002732079 180949989 /nfs/dbraw/zinc/94/99/89/180949989.db2.gz DMVJKDDAJTUBDR-UHFFFAOYSA-N 0 0 316.144 3.751 50 5 DHBARN COc1ccc2c(c1)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C=C2 ZINC000003668831 181044301 /nfs/dbraw/zinc/04/43/01/181044301.db2.gz ANFMRSLJKKTEMW-UHFFFAOYSA-N 0 0 314.253 3.788 50 5 biogenic DHBARN O=[N+]([O-])c1ccc(Nc2nnc(Cl)c3ccccc32)cc1 ZINC000003921226 181057938 /nfs/dbraw/zinc/05/79/38/181057938.db2.gz PUROSGBQMKAUIU-UHFFFAOYSA-N 0 0 300.705 3.935 50 5 DHBARN O=C(OCc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000004070215 181068653 /nfs/dbraw/zinc/06/86/53/181068653.db2.gz YIZUECJBVWAFTP-UHFFFAOYSA-N 0 0 314.322 3.562 50 5 DHBARN CCOc1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])s1 ZINC000004078805 181070387 /nfs/dbraw/zinc/07/03/87/181070387.db2.gz FZGDJHDFSZAKSP-VQHVLOKHSA-N 0 0 318.354 3.707 50 5 DHBARN C[C@H]1CCCC[C@@H]1Nc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC000004183765 181082807 /nfs/dbraw/zinc/08/28/07/181082807.db2.gz YTZABSJRIVRGPQ-JQWIXIFHSA-N 0 0 302.330 3.692 50 5 DHBARN O=C(NC1CCCCC1)c1ccc2nc3ccccc3nc2c1 ZINC000004338536 181099809 /nfs/dbraw/zinc/09/98/09/181099809.db2.gz VGYXYUVGNIXMJK-UHFFFAOYSA-N 0 0 305.381 3.846 50 5 DHBARN CC[C@H](C)C(=O)Nc1ccc(NC(=O)[C@@H](C)CC)c([N+](=O)[O-])c1 ZINC000004427937 181109206 /nfs/dbraw/zinc/10/92/06/181109206.db2.gz JQOACDYRPWMVDS-QWRGUYRKSA-N 0 0 321.377 3.564 50 5 DHBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(Cl)(Cl)Cl ZINC000004507994 181117584 /nfs/dbraw/zinc/11/75/84/181117584.db2.gz BSLFSLQFDDLLOT-UHFFFAOYSA-N 0 0 317.943 3.557 50 5 DHBARN CC1=C(C)[C@H](Nc2ccccc2[N+](=O)[O-])N(CCC(C)C)C1=O ZINC000004550254 181124041 /nfs/dbraw/zinc/12/40/41/181124041.db2.gz XFELABUPYOWUCI-MRXNPFEDSA-N 0 0 317.389 3.558 50 5 DHBARN COc1ccc(NC(=O)c2ccc(C)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000004699029 181138470 /nfs/dbraw/zinc/13/84/70/181138470.db2.gz LJOAPBLYOGSESH-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(F)cc1 ZINC000004689057 181137079 /nfs/dbraw/zinc/13/70/79/181137079.db2.gz VESNGBLGBRBNQQ-UHFFFAOYSA-N 0 0 308.696 3.948 50 5 DHBARN COc1ccc(NC(=O)c2ccc(C)cc2Cl)c([N+](=O)[O-])c1 ZINC000004702863 181139956 /nfs/dbraw/zinc/13/99/56/181139956.db2.gz YMQXNHJLQVJJDY-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN O=c1c2ccc(Cl)cc2nc2cc3[nH]c4ccccc4c3nn21 ZINC000004717440 181141780 /nfs/dbraw/zinc/14/17/80/181141780.db2.gz TWRPSDPGFMXSJY-UHFFFAOYSA-N 0 0 320.739 3.531 50 5 DHBARN CCOc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000004819844 181156669 /nfs/dbraw/zinc/15/66/69/181156669.db2.gz QOIVFONDJZEPHF-UHFFFAOYSA-N 0 0 320.732 3.899 50 5 DHBARN COC(=O)c1cccc(OCc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000004841721 181161201 /nfs/dbraw/zinc/16/12/01/181161201.db2.gz BZKALAIUIOCIQR-UHFFFAOYSA-N 0 0 321.716 3.614 50 5 DHBARN Cc1cc(C(=O)Nc2ccc(OC(C)C)cc2)ccc1[N+](=O)[O-] ZINC000004867947 181165762 /nfs/dbraw/zinc/16/57/62/181165762.db2.gz IQOQBRNPDNYNGO-UHFFFAOYSA-N 0 0 314.341 3.943 50 5 DHBARN CCCNc1cc(OCCC)c(Br)cc1[N+](=O)[O-] ZINC000074934293 191388992 /nfs/dbraw/zinc/38/89/92/191388992.db2.gz NOBNVOVIEYJIJT-UHFFFAOYSA-N 0 0 317.183 3.968 50 5 DHBARN O=C(/C=C/c1ccccc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000004996998 181187356 /nfs/dbraw/zinc/18/73/56/181187356.db2.gz MTZJFNOULYWSFA-MDZDMXLPSA-N 0 0 302.717 3.900 50 5 DHBARN O=C(N[C@H]1CCSc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000005176791 181213568 /nfs/dbraw/zinc/21/35/68/181213568.db2.gz YJLZUMYQMBOXEM-AWEZNQCLSA-N 0 0 314.366 3.562 50 5 DHBARN CCOc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000005465504 181246750 /nfs/dbraw/zinc/24/67/50/181246750.db2.gz JNJRBDIZRSGTKF-UHFFFAOYSA-N 0 0 300.314 3.554 50 5 DHBARN O=C(Nc1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])o1 ZINC000005567494 181258048 /nfs/dbraw/zinc/25/80/48/181258048.db2.gz FSMZBCDNBILHCU-UHFFFAOYSA-N 0 0 301.085 3.747 50 5 DHBARN Cc1cc(C(=O)O[C@H](C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000005634705 181266572 /nfs/dbraw/zinc/26/65/72/181266572.db2.gz GCXLFYHGOFNJMO-LLVKDONJSA-N 0 0 303.289 3.960 50 5 DHBARN Cc1cccc(N2CCN(c3ccccc3[N+](=O)[O-])C[C@@H]2C)c1 ZINC000005637637 181267199 /nfs/dbraw/zinc/26/71/99/181267199.db2.gz DXFFHASUZIRJNH-HNNXBMFYSA-N 0 0 311.385 3.618 50 5 DHBARN C[C@H](Oc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2c(c1)CCC2 ZINC000006060901 181309137 /nfs/dbraw/zinc/30/91/37/181309137.db2.gz WTEORTMYASAAFF-LBPRGKRZSA-N 0 0 311.337 3.734 50 5 DHBARN O=C(COc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 ZINC000006060986 181309327 /nfs/dbraw/zinc/30/93/27/181309327.db2.gz YIHDQROUDZIYTQ-UHFFFAOYSA-N 0 0 311.337 3.735 50 5 DHBARN Cc1cc(C(=O)COc2cccc([N+](=O)[O-])c2)c(C)n1C1CC1 ZINC000006061695 181309394 /nfs/dbraw/zinc/30/93/94/181309394.db2.gz NSWPSGVCKNGKOD-UHFFFAOYSA-N 0 0 314.341 3.610 50 5 DHBARN Cc1ccc(F)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000006389781 181336763 /nfs/dbraw/zinc/33/67/63/181336763.db2.gz LCWFZFMTOLEZPY-UHFFFAOYSA-N 0 0 308.696 3.948 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1[C@@H]2CCC=CCC[C@@H]21 ZINC000245297256 202515901 /nfs/dbraw/zinc/51/59/01/202515901.db2.gz RXQQVOZRUATOPJ-FOLVSLTJSA-N 0 0 300.358 3.834 50 5 DHBARN O=C(Nc1ccc2c(c1)oc1ccccc1c2=O)c1ccco1 ZINC000006660227 181366278 /nfs/dbraw/zinc/36/62/78/181366278.db2.gz RUBJQHRRQZHNAL-UHFFFAOYSA-N 0 0 305.289 3.792 50 5 DHBARN Cn1cnc([N+](=O)[O-])c1NCC(c1ccccc1)c1ccccc1 ZINC000008337474 181550305 /nfs/dbraw/zinc/55/03/05/181550305.db2.gz CLTKWQKKYWYVFG-UHFFFAOYSA-N 0 0 322.368 3.572 50 5 DHBARN O=[N+]([O-])c1c(Sc2ccc(F)c(F)c2)nc2sccn21 ZINC000008374784 181551939 /nfs/dbraw/zinc/55/19/39/181551939.db2.gz UENWFOUSAKYPMT-UHFFFAOYSA-N 0 0 313.310 3.733 50 5 DHBARN O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(F)cc1Cl ZINC000009051887 181598917 /nfs/dbraw/zinc/59/89/17/181598917.db2.gz GXIWOSIOZHCVSN-GORDUTHDSA-N 0 0 310.668 3.632 50 5 DHBARN CC(C)Nc1nnc(Sc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000009835517 181642704 /nfs/dbraw/zinc/64/27/04/181642704.db2.gz LIJAWBSLZIKCLG-UHFFFAOYSA-N 0 0 314.367 3.557 50 5 DHBARN O=C(Nc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1ccco1 ZINC000015837913 182021056 /nfs/dbraw/zinc/02/10/56/182021056.db2.gz RCERSYFKWSURAX-ZDUSSCGKSA-N 0 0 301.302 3.557 50 5 DHBARN O=C1OC(/C=C\c2cccc([N+](=O)[O-])c2)=N/C1=C/c1ccccc1 ZINC000020616006 182239648 /nfs/dbraw/zinc/23/96/48/182239648.db2.gz MQXMBODJJKNZTP-NTFJEWRLSA-N 0 0 320.304 3.604 50 5 DHBARN Cc1cccc(-c2noc(-c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)c1 ZINC000020897659 182252299 /nfs/dbraw/zinc/25/22/99/182252299.db2.gz OMWOCCTUYBYQMU-UHFFFAOYSA-N 0 0 324.340 3.686 50 5 DHBARN O=[N+]([O-])c1ccc(NCc2ccc(OC(F)(F)F)cc2)nc1 ZINC000024528811 182382692 /nfs/dbraw/zinc/38/26/92/182382692.db2.gz ZFENLPMLTHSART-UHFFFAOYSA-N 0 0 313.235 3.501 50 5 DHBARN COc1ccc(NC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000034884206 182740951 /nfs/dbraw/zinc/74/09/51/182740951.db2.gz TUQDLFUJQWYPGT-DMDPSCGWSA-N 0 0 321.377 3.550 50 5 DHBARN Cc1nc(C(C)C)sc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000040093172 183033621 /nfs/dbraw/zinc/03/36/21/183033621.db2.gz KVWMAJOQHXONIX-UHFFFAOYSA-N 0 0 305.359 3.735 50 5 DHBARN Cc1c(COc2ccc3ccc(=O)oc3c2)cccc1[N+](=O)[O-] ZINC000040122912 183038471 /nfs/dbraw/zinc/03/84/71/183038471.db2.gz VSSXIWYXNHTVNH-UHFFFAOYSA-N 0 0 311.293 3.589 50 5 DHBARN Cc1c(NC(=O)N(C)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000043348106 183356722 /nfs/dbraw/zinc/35/67/22/183356722.db2.gz WUKRXSIVDIZQOT-UHFFFAOYSA-N 0 0 317.320 3.706 50 5 DHBARN Cc1c2c(cc3c4ccccc4c(=O)oc13)CN(C(C)C)CO2 ZINC000057140555 184028255 /nfs/dbraw/zinc/02/82/55/184028255.db2.gz SXRSEBKJJVIINO-UHFFFAOYSA-N 0 0 309.365 3.815 50 5 DHBARN Cc1oc(-c2ccccc2)nc1CCNc1ccc([N+](=O)[O-])cn1 ZINC000058407806 184114874 /nfs/dbraw/zinc/11/48/74/184114874.db2.gz GOBYAPOUKUTKJP-UHFFFAOYSA-N 0 0 324.340 3.608 50 5 DHBARN COc1cc(NC(C)(C)C)c([N+](=O)[O-])cc1Br ZINC000065336882 184325087 /nfs/dbraw/zinc/32/50/87/184325087.db2.gz VVDLRMZYHRZKOI-UHFFFAOYSA-N 0 0 303.156 3.576 50 5 DHBARN O=[N+]([O-])c1ccc(COc2ccc(Br)cc2)cc1 ZINC000000471333 256513036 /nfs/dbraw/zinc/51/30/36/256513036.db2.gz DNUWJQWWGBYZDF-UHFFFAOYSA-N 0 0 308.131 3.936 50 5 DHBARN CC(C)(C)c1nc(Sc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000014076434 257268583 /nfs/dbraw/zinc/26/85/83/257268583.db2.gz MUSMJLHYWBNKPC-UHFFFAOYSA-N 0 0 312.782 3.815 50 5 DHBARN Cc1cc(C(=O)Nc2cccc(-n3cccc3)c2)ccc1[N+](=O)[O-] ZINC000058306642 257270106 /nfs/dbraw/zinc/27/01/06/257270106.db2.gz GGLYANBNAOHASA-UHFFFAOYSA-N 0 0 321.336 3.946 50 5 DHBARN CC1CCN(c2cc(Br)c([N+](=O)[O-])cc2F)CC1 ZINC000004035907 134457742 /nfs/dbraw/zinc/45/77/42/134457742.db2.gz ZIYRGYNGBJITHY-UHFFFAOYSA-N 0 0 317.158 3.733 50 5 DHBARN O=C(Nc1ccncc1)c1cc2c(ccc3ccccc32)oc1=O ZINC000002943852 563318291 /nfs/dbraw/zinc/31/82/91/563318291.db2.gz NKOZTLOTKACYIT-UHFFFAOYSA-N 0 0 316.316 3.594 50 5 DHBARN COc1ccc(NC(=O)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000007636357 563340292 /nfs/dbraw/zinc/34/02/92/563340292.db2.gz BIYJLOLRLGATDF-UHFFFAOYSA-N 0 0 312.281 3.602 50 5 DHBARN CCOc1ccc(Cl)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000008324625 563345974 /nfs/dbraw/zinc/34/59/74/563345974.db2.gz XZPLUBMFHKRKGA-UHFFFAOYSA-N 0 0 320.732 3.899 50 5 DHBARN CNc1ccc([N+](=O)[O-])cc1C(=O)OC/C=C/c1ccccc1 ZINC000032667949 563374383 /nfs/dbraw/zinc/37/43/83/563374383.db2.gz KLZKINIRNAWVNT-VMPITWQZSA-N 0 0 312.325 3.507 50 5 DHBARN CC(=O)c1ccc(C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000032776870 563392192 /nfs/dbraw/zinc/39/21/92/563392192.db2.gz ZOJNTZZHTFBJEY-SNVBAGLBSA-N 0 0 319.338 3.777 50 5 DHBARN O=C(CCc1ccc(F)c(F)c1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000032816258 563397813 /nfs/dbraw/zinc/39/78/13/563397813.db2.gz WGDFEJSFGMMKLO-UHFFFAOYSA-N 0 0 324.258 3.583 50 5 DHBARN CCn1c(Sc2ccc([N+](=O)[O-])cc2Cl)nnc1C1CC1 ZINC000032855718 563403000 /nfs/dbraw/zinc/40/30/00/563403000.db2.gz MOZKRZFPHKHNSR-UHFFFAOYSA-N 0 0 324.793 3.888 50 5 DHBARN CCc1ccc([C@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000032978685 563457277 /nfs/dbraw/zinc/45/72/77/563457277.db2.gz BFJCGUJUYDABRC-ZDUSSCGKSA-N 0 0 312.369 3.577 50 5 DHBARN CN(C)/C=C\c1c([N+](=O)[O-])c2ccc(O)cc2n1-c1ccccc1 ZINC000033293340 563518360 /nfs/dbraw/zinc/51/83/60/563518360.db2.gz FHSALPVEMLZVON-KHPPLWFESA-N 0 0 323.352 3.777 50 5 DHBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCc2ccccc21 ZINC000000102881 563543176 /nfs/dbraw/zinc/54/31/76/563543176.db2.gz VRUKRPGVZMRSGZ-UHFFFAOYSA-N 0 0 316.744 3.841 50 5 DHBARN CC1(C)O[C@@H]2c3cc([N+](=O)[O-])ccc3OCN2c2ccccc21 ZINC000000108066 563570287 /nfs/dbraw/zinc/57/02/87/563570287.db2.gz DCSFIIWJFRXDHK-MRXNPFEDSA-N 0 0 312.325 3.715 50 5 DHBARN COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000000131430 563572249 /nfs/dbraw/zinc/57/22/49/563572249.db2.gz GCYKWOCEYXUFBC-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000000187554 563576238 /nfs/dbraw/zinc/57/62/38/563576238.db2.gz QAROGJBMIFPKKF-QGZVFWFLSA-N 0 0 323.352 3.683 50 5 DHBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000000255937 563582450 /nfs/dbraw/zinc/58/24/50/563582450.db2.gz MEYXYYXOUMOXSA-UHFFFAOYSA-N 0 0 310.231 3.866 50 5 DHBARN O=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3Cl)o2)cc1 ZINC000000276088 563584340 /nfs/dbraw/zinc/58/43/40/563584340.db2.gz MTYAXORILVLFOX-UHFFFAOYSA-N 0 0 301.689 3.965 50 5 DHBARN O=Cc1c(OC(=O)c2cccc([N+](=O)[O-])c2)ccc2ccccc21 ZINC000000313796 563587684 /nfs/dbraw/zinc/58/76/84/563587684.db2.gz RZYSYAIQDLKLNG-UHFFFAOYSA-N 0 0 321.288 3.780 50 5 DHBARN O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)c2cc3c(cc2N1)CCC3 ZINC000000427631 563611601 /nfs/dbraw/zinc/61/16/01/563611601.db2.gz DGYMBYOKBOOCNI-HNNXBMFYSA-N 0 0 308.337 3.558 50 5 DHBARN CCn1c2cc(F)c(F)cc2nc1Cc1ccc([N+](=O)[O-])cc1 ZINC000005586175 563624313 /nfs/dbraw/zinc/62/43/13/563624313.db2.gz FFRRBZOXDVXRGM-UHFFFAOYSA-N 0 0 317.295 3.833 50 5 DHBARN CCOC(=O)c1c(C)sc2c3cccc([N+](=O)[O-])c3[nH]c21 ZINC000000478515 563624383 /nfs/dbraw/zinc/62/43/83/563624383.db2.gz YYQLPDDSXLBWPC-UHFFFAOYSA-N 0 0 304.327 3.776 50 5 DHBARN O=[N+]([O-])c1ccc2nc(-c3ccc(Br)cc3)cn2c1 ZINC000000480119 563637116 /nfs/dbraw/zinc/63/71/16/563637116.db2.gz OYPAQDHUSQPOCF-UHFFFAOYSA-N 0 0 318.130 3.672 50 5 DHBARN CCCc1ccccc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000024505262 563668411 /nfs/dbraw/zinc/66/84/11/563668411.db2.gz BEIOFVIDSBTYPB-UHFFFAOYSA-N 0 0 314.341 3.565 50 5 DHBARN CC[C@@H](Oc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000000617601 563698777 /nfs/dbraw/zinc/69/87/77/563698777.db2.gz RETZZTYLUSOCIQ-MRXNPFEDSA-N 0 0 314.341 3.699 50 5 DHBARN C[C@@H]1C[C@H](C)CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000012402880 563772307 /nfs/dbraw/zinc/77/23/07/563772307.db2.gz BSPSHLUQSQGETP-PHIMTYICSA-N 0 0 318.398 3.928 50 5 DHBARN COc1ccc(F)cc1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000025204845 563785943 /nfs/dbraw/zinc/78/59/43/563785943.db2.gz QMMOPLKBNNTJML-UHFFFAOYSA-N 0 0 315.256 3.720 50 5 DHBARN COCc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000025334886 563787401 /nfs/dbraw/zinc/78/74/01/563787401.db2.gz CXAIFGFAPDPNLK-UHFFFAOYSA-N 0 0 320.732 3.647 50 5 DHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)s1 ZINC000001052244 563787694 /nfs/dbraw/zinc/78/76/94/563787694.db2.gz LLKJAKZNYWBRBV-UHFFFAOYSA-N 0 0 312.734 3.571 50 5 DHBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000025325871 563787715 /nfs/dbraw/zinc/78/77/15/563787715.db2.gz XJSBKYNMUFDBGV-MRXNPFEDSA-N 0 0 314.316 3.711 50 5 DHBARN CCC[C@](C)(CO)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000075092307 563859414 /nfs/dbraw/zinc/85/94/14/563859414.db2.gz VSLAMTXIGILVBP-GFCCVEGCSA-N 0 0 306.284 3.577 50 5 DHBARN C[C@H](Nc1c([N+](=O)[O-])ncn1C)c1ccc(C(F)(F)F)cc1 ZINC000026774977 563882056 /nfs/dbraw/zinc/88/20/56/563882056.db2.gz JBGZHAXDBDBMHF-QMMMGPOBSA-N 0 0 314.267 3.520 50 5 DHBARN CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000036040095 563892274 /nfs/dbraw/zinc/89/22/74/563892274.db2.gz PHKCNXWTVZGKLM-UHFFFAOYSA-N 0 0 306.240 3.961 50 5 DHBARN COc1ccc(F)cc1[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000192807764 563894861 /nfs/dbraw/zinc/89/48/61/563894861.db2.gz VNDXWUIVLVSADR-NSHDSACASA-N 0 0 304.321 3.593 50 5 DHBARN Cc1ccccc1CN(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000007779023 563919090 /nfs/dbraw/zinc/91/90/90/563919090.db2.gz PONIPVHPRLUNLG-UHFFFAOYSA-N 0 0 318.760 3.829 50 5 DHBARN C[C@H](Nc1cccc(C[S@@](C)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000195552431 563919594 /nfs/dbraw/zinc/91/95/94/563919594.db2.gz CHCOBUZISMTMTJ-AMXDTQDGSA-N 0 0 318.398 3.646 50 5 DHBARN C[C@@H](Nc1cccc(C[S@](C)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000195552433 563919688 /nfs/dbraw/zinc/91/96/88/563919688.db2.gz CHCOBUZISMTMTJ-IPQOISQHSA-N 0 0 318.398 3.646 50 5 DHBARN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000007924500 563921061 /nfs/dbraw/zinc/92/10/61/563921061.db2.gz PRLBOTNJFRKUQV-MRXNPFEDSA-N 0 0 316.332 3.861 50 5 DHBARN Cc1csc2[nH]c(Cc3ccc([N+](=O)[O-])cc3C)nc(=O)c12 ZINC000253630019 563926822 /nfs/dbraw/zinc/92/68/22/563926822.db2.gz QWVDZHVUVGPXCE-UHFFFAOYSA-N 0 0 315.354 3.513 50 5 DHBARN O=[N+]([O-])c1cccc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000068563166 563928496 /nfs/dbraw/zinc/92/84/96/563928496.db2.gz OUXDWRIVHNBVLH-SNAWJCMRSA-N 0 0 315.241 3.582 50 5 DHBARN O=[N+]([O-])c1ccc(OCc2ccccc2)c(Br)c1 ZINC000068675270 563928681 /nfs/dbraw/zinc/92/86/81/563928681.db2.gz MGVSZHWOJJDSMN-UHFFFAOYSA-N 0 0 308.131 3.936 50 5 DHBARN Cc1ccc(C(=O)N(C)[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000012794878 563928942 /nfs/dbraw/zinc/92/89/42/563928942.db2.gz APICDOFLPMHFDD-MRXNPFEDSA-N 0 0 310.353 3.663 50 5 DHBARN C[C@@H]1CCCC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000095941197 563931947 /nfs/dbraw/zinc/93/19/47/563931947.db2.gz WPKBABQIMJWCCD-MLGOLLRUSA-N 0 0 315.373 3.918 50 5 DHBARN O=[N+]([O-])c1c(Br)cccc1OCc1ccccc1 ZINC000095942415 563931960 /nfs/dbraw/zinc/93/19/60/563931960.db2.gz FZPFXKQEIUYELF-UHFFFAOYSA-N 0 0 308.131 3.936 50 5 DHBARN Cc1cc(NC(=O)N(C)[C@H](C)c2ccncc2)ccc1[N+](=O)[O-] ZINC000095996395 563934355 /nfs/dbraw/zinc/93/43/55/563934355.db2.gz PQYWVEWVJNCKQW-GFCCVEGCSA-N 0 0 314.345 3.523 50 5 DHBARN O=[N+]([O-])c1cccc(Cl)c1[C@H]1NN=C(c2ccccc2)S1 ZINC000002916117 563941073 /nfs/dbraw/zinc/94/10/73/563941073.db2.gz PTTSYUJAIGANTB-AWEZNQCLSA-N 0 0 319.773 3.945 50 5 DHBARN CCCOc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000002972604 563941412 /nfs/dbraw/zinc/94/14/12/563941412.db2.gz KQGCPRUACZTWSS-UHFFFAOYSA-N 0 0 318.304 3.775 50 5 DHBARN CC(C)(C)SCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002980383 563941420 /nfs/dbraw/zinc/94/14/20/563941420.db2.gz VCNPNAJKLIJAIQ-UHFFFAOYSA-N 0 0 316.810 3.510 50 5 DHBARN CCOCCCn1c(=O)c2cc3ccccc3cc2[n-]c1=S ZINC000002974087 563941446 /nfs/dbraw/zinc/94/14/46/563941446.db2.gz JIYLIADMQZATFO-UHFFFAOYSA-N 0 0 314.410 3.639 50 5 DHBARN C[C@@]1(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCCc2ccccc21 ZINC000058340913 563944138 /nfs/dbraw/zinc/94/41/38/563944138.db2.gz KAWQTBLGIPYFFG-LJQANCHMSA-N 0 0 324.380 3.505 50 5 DHBARN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1C ZINC000008562228 563949188 /nfs/dbraw/zinc/94/91/88/563949188.db2.gz BIEYNGVZCLDPBV-CYBMUJFWSA-N 0 0 314.341 3.618 50 5 DHBARN Cc1noc(-c2ccc(N(C)Cc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000008587105 563949197 /nfs/dbraw/zinc/94/91/97/563949197.db2.gz NWYYFLJXWQNEEV-UHFFFAOYSA-N 0 0 324.340 3.590 50 5 DHBARN Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000008562376 563949219 /nfs/dbraw/zinc/94/92/19/563949219.db2.gz RPANRYAVGYJZQH-ZDUSSCGKSA-N 0 0 314.341 3.618 50 5 DHBARN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCCCCC1 ZINC000009154943 563953554 /nfs/dbraw/zinc/95/35/54/563953554.db2.gz QPBZQGXHLNKMKJ-UHFFFAOYSA-N 0 0 304.371 3.826 50 5 DHBARN CC(=O)c1ccc(Sc2nnc(C(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000069631641 563953975 /nfs/dbraw/zinc/95/39/75/563953975.db2.gz CJMWIIWKUTWSBS-UHFFFAOYSA-N 0 0 321.358 3.629 50 5 DHBARN CCn1nnnc1SCc1nc2ccccc2c2ccccc12 ZINC000009322818 563955193 /nfs/dbraw/zinc/95/51/93/563955193.db2.gz YLSUGDZMMUNCDR-UHFFFAOYSA-N 0 0 321.409 3.687 50 5 DHBARN CCc1nc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)cs1 ZINC000184716683 568417692 /nfs/dbraw/zinc/41/76/92/568417692.db2.gz WBTBMHWIHHVFCB-LLVKDONJSA-N 0 0 305.403 3.773 50 5 DHBARN Cc1ccc(C(=O)N[C@H](c2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000011211898 1014668637 /nfs/dbraw/zinc/66/86/37/1014668637.db2.gz NEYIYYOHTCKZSV-QGZVFWFLSA-N 0 0 310.353 3.784 50 5 DHBARN CC(=O)Nc1ccccc1Sc1ccc(C=O)cc1[N+](=O)[O-] ZINC000000469672 1019925623 /nfs/dbraw/zinc/92/56/23/1019925623.db2.gz IMHXJLJNTOPMBJ-UHFFFAOYSA-N 0 0 316.338 3.517 50 5 DHBARN Cc1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000000587353 1022427482 /nfs/dbraw/zinc/42/74/82/1022427482.db2.gz XXOMKKNDSJQBRI-UHFFFAOYSA-N 0 0 314.341 3.538 50 5 DHBARN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(OC(F)F)cc1 ZINC000044724809 1023508127 /nfs/dbraw/zinc/50/81/27/1023508127.db2.gz JBSJPGYERSKHOR-SECBINFHSA-N 0 0 309.272 3.764 50 5 DHBARN CC1CCC(N(C)C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000207360815 1028374011 /nfs/dbraw/zinc/37/40/11/1028374011.db2.gz DMVYQKAGXNCBSU-FLIBITNWSA-N 0 0 302.374 3.645 50 5 DHBARN CC1CCC(N(C)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000013002258 1029961080 /nfs/dbraw/zinc/96/10/80/1029961080.db2.gz DMVYQKAGXNCBSU-DHZHZOJOSA-N 0 0 302.374 3.645 50 5 DHBARN O=[N+]([O-])c1ccccc1CNc1ccc(-c2cncnc2)cc1 ZINC000095406220 185355992 /nfs/dbraw/zinc/35/59/92/185355992.db2.gz SIYHHCOJDUDEHM-UHFFFAOYSA-N 0 0 306.325 3.664 50 5 DHBARN O=[N+]([O-])c1ccc(CN2CCCC[C@H]2c2nccs2)cc1F ZINC000253392882 186303394 /nfs/dbraw/zinc/30/33/94/186303394.db2.gz CWKCKPZZGSMXLV-AWEZNQCLSA-N 0 0 321.377 3.918 50 5 DHBARN Cc1ccc(C(=O)Nc2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000000102930 180693897 /nfs/dbraw/zinc/69/38/97/180693897.db2.gz STKKMNFIZQOHLQ-UHFFFAOYSA-N 0 0 313.338 3.765 50 5 DHBARN Cc1cc(Cl)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000122634 180699818 /nfs/dbraw/zinc/69/98/18/180699818.db2.gz JWMUUGRLVHIBPU-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN COc1ccc([N+](=O)[O-])cc1NC1C2CC3CC(C2)CC1C3 ZINC000000227990 180732296 /nfs/dbraw/zinc/73/22/96/180732296.db2.gz SRGWXRXXKNMPJW-UHFFFAOYSA-N 0 0 302.374 3.840 50 5 DHBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cccc2ccccc21 ZINC000000285187 180747251 /nfs/dbraw/zinc/74/72/51/180747251.db2.gz DDVGQNNLJULJGF-UHFFFAOYSA-N 0 0 318.288 3.549 50 5 DHBARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1 ZINC000000317034 180758009 /nfs/dbraw/zinc/75/80/09/180758009.db2.gz RJXHUYHFTUIYEU-VQHVLOKHSA-N 0 0 302.717 3.900 50 5 DHBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1csc2c1CCCC2 ZINC000000355497 180765062 /nfs/dbraw/zinc/76/50/62/180765062.db2.gz KJPFMQRIFJZBAJ-UHFFFAOYSA-N 0 0 320.345 3.927 50 5 DHBARN O=C(COc1ccc2ccccc2c1)Oc1ccccc1[N+](=O)[O-] ZINC000000358729 180765694 /nfs/dbraw/zinc/76/56/94/180765694.db2.gz HPXWBPGBQCMBMN-UHFFFAOYSA-N 0 0 323.304 3.732 50 5 DHBARN Cc1cc(Cl)ccc1OCC(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000000358488 180766015 /nfs/dbraw/zinc/76/60/15/180766015.db2.gz FSCUWLMFZLCYRV-UHFFFAOYSA-N 0 0 321.716 3.541 50 5 DHBARN COc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1[N+](=O)[O-] ZINC000000461976 180798786 /nfs/dbraw/zinc/79/87/86/180798786.db2.gz WHZYPOAJRFIAQO-UHFFFAOYSA-N 0 0 311.297 3.629 50 5 DHBARN CCN(Cc1ccccc1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000000465553 180799506 /nfs/dbraw/zinc/79/95/06/180799506.db2.gz CGBZFSLGBCECLY-OUKQBFOZSA-N 0 0 310.353 3.657 50 5 DHBARN COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000000447532 180794520 /nfs/dbraw/zinc/79/45/20/180794520.db2.gz VWAYCTKFIIVIOV-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN Cc1ccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1C ZINC000001753515 180894690 /nfs/dbraw/zinc/89/46/90/180894690.db2.gz UUJQBTRQGNFZBU-UHFFFAOYSA-N 0 0 303.293 3.995 50 5 DHBARN O=C(Nc1cc(F)ccc1F)OCc1ccc([N+](=O)[O-])cc1 ZINC000002166278 180913210 /nfs/dbraw/zinc/91/32/10/180913210.db2.gz JJYNBVIVIDZAPZ-UHFFFAOYSA-N 0 0 308.240 3.622 50 5 DHBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCCCc1ccccc1 ZINC000002742469 180950980 /nfs/dbraw/zinc/95/09/80/180950980.db2.gz BSGARLRUIBWRKO-SDNWHVSQSA-N 0 0 324.380 3.747 50 5 DHBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])NCc1ccccc1Cl ZINC000003302632 181002389 /nfs/dbraw/zinc/00/23/89/181002389.db2.gz HADFVSJIYXJLNP-MDZDMXLPSA-N 0 0 316.744 3.578 50 5 DHBARN O=C1OCC(c2ccc(Cl)s2)=C1c1ccc([N+](=O)[O-])cc1 ZINC000003300940 181002421 /nfs/dbraw/zinc/00/24/21/181002421.db2.gz CCYQYUDFVYPBRK-UHFFFAOYSA-N 0 0 321.741 3.777 50 5 DHBARN Cc1cc(C)cc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC000003565978 181035540 /nfs/dbraw/zinc/03/55/40/181035540.db2.gz ZJZAZIMSLHRENQ-UHFFFAOYSA-N 0 0 316.382 3.942 50 5 DHBARN Cc1cccc(OCCCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000004042283 181066096 /nfs/dbraw/zinc/06/60/96/181066096.db2.gz FJXGGTNVJCPPAC-UHFFFAOYSA-N 0 0 314.341 3.701 50 5 DHBARN O=C(Nc1cccc([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 ZINC000003995276 181060470 /nfs/dbraw/zinc/06/04/70/181060470.db2.gz TZDCWSSFXSVSEK-UHFFFAOYSA-N 0 0 300.358 3.750 50 5 DHBARN O=C(Cc1cccc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000004070634 181069468 /nfs/dbraw/zinc/06/94/68/181069468.db2.gz CUPAOAYEEYZMJP-UHFFFAOYSA-N 0 0 306.321 3.929 50 5 DHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1scc2c1CCCC2 ZINC000004580113 181126961 /nfs/dbraw/zinc/12/69/61/181126961.db2.gz KLQPSJUIBCHSMF-UHFFFAOYSA-N 0 0 302.355 3.787 50 5 DHBARN CCO[C@@H]1CC(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000004612939 181130020 /nfs/dbraw/zinc/13/00/20/181130020.db2.gz PIPVNMOXKPPQBP-QGZVFWFLSA-N 0 0 311.341 3.572 50 5 DHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(OC(C)C)c1 ZINC000004695565 181138043 /nfs/dbraw/zinc/13/80/43/181138043.db2.gz QBPHZVCZVXOGMX-UHFFFAOYSA-N 0 0 314.341 3.943 50 5 DHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C)=C\c1ccccc1 ZINC000004677035 181135279 /nfs/dbraw/zinc/13/52/79/181135279.db2.gz FBFOYJGGEWGZFS-BENRWUELSA-N 0 0 312.325 3.645 50 5 DHBARN O=C(Nc1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000004814484 181155300 /nfs/dbraw/zinc/15/53/00/181155300.db2.gz VICTVOOVRRKYHC-UHFFFAOYSA-N 0 0 312.659 3.779 50 5 DHBARN COc1nnc(/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000004828775 181158062 /nfs/dbraw/zinc/15/80/62/181158062.db2.gz ZVENIUMHUYNCPM-DHZHZOJOSA-N 0 0 307.309 3.717 50 5 DHBARN O=C(COc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCC2 ZINC000005059916 181198345 /nfs/dbraw/zinc/19/83/45/181198345.db2.gz YEPZDEHKZOGZSC-UHFFFAOYSA-N 0 0 311.337 3.735 50 5 DHBARN COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000005177246 181213816 /nfs/dbraw/zinc/21/38/16/181213816.db2.gz UDYANLYOUZDTNQ-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000078573405 191889208 /nfs/dbraw/zinc/88/92/08/191889208.db2.gz GLKPRRXQYMSHFU-BZNIZROVSA-N 0 0 313.313 3.700 50 5 DHBARN COc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1Cl ZINC000005192026 181214922 /nfs/dbraw/zinc/21/49/22/181214922.db2.gz VZCUJETYHGWQJZ-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN Cc1ccc(OCc2ncc(-c3ccccc3)o2)c([N+](=O)[O-])n1 ZINC000005701127 181274383 /nfs/dbraw/zinc/27/43/83/181274383.db2.gz HALMOLFVIVYGOK-UHFFFAOYSA-N 0 0 311.297 3.532 50 5 DHBARN Cc1ccc(C)c(OCCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000005704485 181274912 /nfs/dbraw/zinc/27/49/12/181274912.db2.gz WCOKAKHHPMYJME-UHFFFAOYSA-N 0 0 314.341 3.619 50 5 DHBARN Cc1ccc(NC(=O)CCCNc2ccccc2[N+](=O)[O-])cc1 ZINC000012556388 181776750 /nfs/dbraw/zinc/77/67/50/181776750.db2.gz WCFUUEAQWAEAQH-UHFFFAOYSA-N 0 0 313.357 3.734 50 5 DHBARN Cc1ccc(-c2cc(NC(=O)c3ccccc3[N+](=O)[O-])n[nH]2)cc1 ZINC000013151333 181833988 /nfs/dbraw/zinc/83/39/88/181833988.db2.gz VANGFGJEMHFTOV-UHFFFAOYSA-N 0 0 322.324 3.546 50 5 DHBARN C[C@H]1CCC[C@H](C)N1C(=S)Sc1ncccc1[N+](=O)[O-] ZINC000013575424 181864087 /nfs/dbraw/zinc/86/40/87/181864087.db2.gz FGGVYWNAQYEJBV-UWVGGRQHSA-N 0 0 311.432 3.630 50 5 DHBARN O=[N+]([O-])c1ccc(/C=C/Sc2nncn2-c2ccccc2)o1 ZINC000014730910 181967955 /nfs/dbraw/zinc/96/79/55/181967955.db2.gz MGGIIIXQJGLPCO-CMDGGOBGSA-N 0 0 314.326 3.532 50 5 DHBARN CC[C@@H](CNC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000015577811 182007506 /nfs/dbraw/zinc/00/75/06/182007506.db2.gz MHNVBLNZHBJQFY-AWEZNQCLSA-N 0 0 312.369 3.827 50 5 DHBARN C[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000017032378 182070218 /nfs/dbraw/zinc/07/02/18/182070218.db2.gz RTEBSOYOPFEXJX-NXEZZACHSA-N 0 0 311.769 3.758 50 5 DHBARN O=[N+]([O-])c1ccc(Cl)cc1CN1CCc2ccccc2C1 ZINC000019537608 182129151 /nfs/dbraw/zinc/12/91/51/182129151.db2.gz CBVVLVWQHUMJQV-UHFFFAOYSA-N 0 0 302.761 3.807 50 5 DHBARN CC1(C)N=C(c2ccccc2)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)N21 ZINC000019898947 182161450 /nfs/dbraw/zinc/16/14/50/182161450.db2.gz ZURRJBURTJNBNL-LIHHCBPRSA-N 0 0 307.353 3.559 50 5 DHBARN Cc1ccc(Oc2ncccc2[N+](=O)[O-])c(Br)c1 ZINC000020077692 182185343 /nfs/dbraw/zinc/18/53/43/182185343.db2.gz QPNWRJOEKGZWJD-UHFFFAOYSA-N 0 0 309.119 3.853 50 5 DHBARN COc1ccc(CCNc2ccc([N+](=O)[O-])c3cnccc23)cc1 ZINC000023078356 182346827 /nfs/dbraw/zinc/34/68/27/182346827.db2.gz LAAWDQBKCZSHAX-UHFFFAOYSA-N 0 0 323.352 3.806 50 5 DHBARN C[C@H](CNc1ccc([N+](=O)[O-])cc1F)N1CCc2ccccc21 ZINC000032923439 182681490 /nfs/dbraw/zinc/68/14/90/182681490.db2.gz ULOCESKKNDDPOS-GFCCVEGCSA-N 0 0 315.348 3.597 50 5 DHBARN Cc1sc(C(=O)Nc2ccc(N(C)C)cc2C)cc1[N+](=O)[O-] ZINC000032930573 182682166 /nfs/dbraw/zinc/68/21/66/182682166.db2.gz SBIMNNYQBWPFSA-UHFFFAOYSA-N 0 0 319.386 3.591 50 5 DHBARN CCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(F)cc(F)c1 ZINC000040087571 183032542 /nfs/dbraw/zinc/03/25/42/183032542.db2.gz QIANGNGQCMHXGH-UHFFFAOYSA-N 0 0 320.295 3.535 50 5 DHBARN CO[C@H](CNc1ccc(C(C)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000042739642 183303557 /nfs/dbraw/zinc/30/35/57/183303557.db2.gz XZBKMNNNSAERRA-QGZVFWFLSA-N 0 0 314.341 3.597 50 5 DHBARN Cc1nc(-c2ccc(Oc3ccc(F)cc3[N+](=O)[O-])cc2)no1 ZINC000057797639 184053363 /nfs/dbraw/zinc/05/33/63/184053363.db2.gz PXJQPTXKJBVZTF-UHFFFAOYSA-N 0 0 315.260 3.885 50 5 DHBARN Cc1cc(N2CCCCCC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000058356968 184108332 /nfs/dbraw/zinc/10/83/32/184108332.db2.gz HZQZQYZITAQFKD-UHFFFAOYSA-N 0 0 312.373 3.741 50 5 DHBARN O=[N+]([O-])c1cnc(N2CC3(CCCC3)[C@@H]2c2ccccc2)nc1 ZINC000408520974 257255008 /nfs/dbraw/zinc/25/50/08/257255008.db2.gz DGJVSIZXVXMLRZ-HNNXBMFYSA-N 0 0 310.357 3.507 50 5 DHBARN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCCc2ccccc21 ZINC000000265793 134433314 /nfs/dbraw/zinc/43/33/14/134433314.db2.gz YDQSYVRUGLNNSX-UHFFFAOYSA-N 0 0 316.744 3.841 50 5 DHBARN Cc1cccc(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1C ZINC000000466628 262529878 /nfs/dbraw/zinc/52/98/78/262529878.db2.gz TZPDXCWAGFMALI-CYBMUJFWSA-N 0 0 314.341 3.618 50 5 DHBARN CC(=O)c1ccc(Sc2nc3ccccc3[nH]2)c([N+](=O)[O-])c1 ZINC000001067344 262531443 /nfs/dbraw/zinc/53/14/43/262531443.db2.gz SLPIJEOCCRQURC-UHFFFAOYSA-N 0 0 313.338 3.825 50 5 DHBARN O=C(Nc1ccc2cccc(Cl)c2n1)c1ccc([N+](=O)[O-])o1 ZINC000182717242 337189530 /nfs/dbraw/zinc/18/95/30/337189530.db2.gz NRUJOIIRLJSZSL-UHFFFAOYSA-N 0 0 317.688 3.642 50 5 DHBARN O=C(c1ccc(Cl)s1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000072291391 563436435 /nfs/dbraw/zinc/43/64/35/563436435.db2.gz QEGHYOXNURLYCL-UHFFFAOYSA-N 0 0 308.746 3.513 50 5 DHBARN Cc1cccc(C(=O)N[C@@H](c2ccccc2)C2CC2)c1[N+](=O)[O-] ZINC000011210408 563482993 /nfs/dbraw/zinc/48/29/93/563482993.db2.gz SDPNXFMWNJZGGH-INIZCTEOSA-N 0 0 310.353 3.784 50 5 DHBARN COc1ccc(CNc2ccc([N+](=O)[O-])cc2C)c(OC)c1C ZINC000004685491 563497678 /nfs/dbraw/zinc/49/76/78/563497678.db2.gz DYANEPABMMNWNH-UHFFFAOYSA-N 0 0 316.357 3.841 50 5 DHBARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000013957035 563503198 /nfs/dbraw/zinc/50/31/98/563503198.db2.gz ISAUXZSYNWWFSW-UHFFFAOYSA-N 0 0 323.308 3.811 50 5 DHBARN O=C(c1ccc([N+](=O)[O-])cc1)n1c2ccccc2oc1=S ZINC000000059743 563513330 /nfs/dbraw/zinc/51/33/30/563513330.db2.gz BXPHVKLCOFXJJQ-UHFFFAOYSA-N 0 0 300.295 3.560 50 5 DHBARN Cc1ccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000000059876 563513378 /nfs/dbraw/zinc/51/33/78/563513378.db2.gz MVJSBNNZSHYBAF-UHFFFAOYSA-N 0 0 313.338 3.765 50 5 DHBARN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000000064763 563515930 /nfs/dbraw/zinc/51/59/30/563515930.db2.gz FWMMIDGETIMDPY-SNVBAGLBSA-N 0 0 304.733 3.739 50 5 DHBARN C[C@H](Nc1cnn(CC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000097038452 563517004 /nfs/dbraw/zinc/51/70/04/563517004.db2.gz NLOQRMPGMUWSKF-VIFPVBQESA-N 0 0 314.267 3.527 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccccc1Cl ZINC000000094398 563527762 /nfs/dbraw/zinc/52/77/62/563527762.db2.gz RZPBRVBASJZSSU-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN CCOc1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000102874 563543099 /nfs/dbraw/zinc/54/30/99/563543099.db2.gz LZMCIEAIAZLMDN-UHFFFAOYSA-N 0 0 320.732 3.899 50 5 DHBARN CCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000000103122 563543244 /nfs/dbraw/zinc/54/32/44/563543244.db2.gz PWWIYYWUBQXWNM-UHFFFAOYSA-N 0 0 304.733 3.915 50 5 DHBARN Cc1cc(=O)oc2cc(OCc3ccccc3)c([N+](=O)[O-])cc12 ZINC000000151042 563573218 /nfs/dbraw/zinc/57/32/18/563573218.db2.gz GZSGGHGOYUYPRO-UHFFFAOYSA-N 0 0 311.293 3.589 50 5 DHBARN O=[N+]([O-])c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1 ZINC000000153156 563573883 /nfs/dbraw/zinc/57/38/83/563573883.db2.gz OHRWKPKNPGQIEH-UHFFFAOYSA-N 0 0 301.689 3.965 50 5 DHBARN O=[N+]([O-])c1ccc(CSc2nccc(-c3ccco3)n2)cc1 ZINC000000172379 563574727 /nfs/dbraw/zinc/57/47/27/563574727.db2.gz YPKIXFQJISPAIJ-UHFFFAOYSA-N 0 0 313.338 3.937 50 5 DHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(F)c1 ZINC000000253569 563582858 /nfs/dbraw/zinc/58/28/58/563582858.db2.gz MYBWLJMPUWFJFI-QPJJXVBHSA-N 0 0 304.252 3.525 50 5 DHBARN O=C(CSc1nc2ccccc2o1)c1ccc([N+](=O)[O-])cc1 ZINC000000281354 563584113 /nfs/dbraw/zinc/58/41/13/563584113.db2.gz JZHVLTMYWZBRAU-UHFFFAOYSA-N 0 0 314.322 3.711 50 5 DHBARN O=C(Nc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000000272749 563584204 /nfs/dbraw/zinc/58/42/04/563584204.db2.gz LFHQVOUOJFCYIJ-UHFFFAOYSA-N 0 0 310.231 3.866 50 5 DHBARN O=[N+]([O-])c1cccc(CNc2ccc(Br)cc2)c1 ZINC000000295120 563584951 /nfs/dbraw/zinc/58/49/51/563584951.db2.gz HODXKQWIMHRGSS-UHFFFAOYSA-N 0 0 307.147 3.969 50 5 DHBARN C[C@H](CCc1ccccc1)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000000315025 563587636 /nfs/dbraw/zinc/58/76/36/563587636.db2.gz SWWSRIXWBINTKY-RDRICISKSA-N 0 0 324.380 3.746 50 5 DHBARN O=C(Nc1cccnc1Cl)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000000338597 563588798 /nfs/dbraw/zinc/58/87/98/563588798.db2.gz ZQAPBKQNDMQLAH-UHFFFAOYSA-N 0 0 312.112 3.549 50 5 DHBARN Cc1cc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000248000927 563599257 /nfs/dbraw/zinc/59/92/57/563599257.db2.gz SGFBVNCKAFYKQV-IJEWVQPXSA-N 0 0 316.401 3.992 50 5 DHBARN CC[C@@H](Oc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000000442319 563614481 /nfs/dbraw/zinc/61/44/81/563614481.db2.gz LHSRHIJJVTXHEJ-MRXNPFEDSA-N 0 0 314.341 3.699 50 5 DHBARN CCOc1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000000443529 563614537 /nfs/dbraw/zinc/61/45/37/563614537.db2.gz LZYMZPSAMROVPP-FMIVXFBMSA-N 0 0 312.325 3.645 50 5 DHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(C)cc1 ZINC000000504579 563653534 /nfs/dbraw/zinc/65/35/34/563653534.db2.gz KHLQHSVOJBQTTF-JXMROGBWSA-N 0 0 312.325 3.564 50 5 DHBARN O=[N+]([O-])c1cccc(-c2ccc(C(=S)N3CCCC3)o2)c1 ZINC000000526253 563664840 /nfs/dbraw/zinc/66/48/40/563664840.db2.gz IPMKEDZGWWNICH-UHFFFAOYSA-N 0 0 302.355 3.626 50 5 DHBARN CC(C)NC(=O)c1ccc(NC2CCCCCC2)c([N+](=O)[O-])c1 ZINC000045680804 563690201 /nfs/dbraw/zinc/69/02/01/563690201.db2.gz NRGAUEGAVDMMMG-UHFFFAOYSA-N 0 0 319.405 3.868 50 5 DHBARN O=C1Nc2cc(Cl)c([N+](=O)[O-])cc2/C1=C/c1ccc(F)cc1 ZINC000048326094 563696481 /nfs/dbraw/zinc/69/64/81/563696481.db2.gz OGGIFIWJOACBEL-WZUFQYTHSA-N 0 0 318.691 3.880 50 5 DHBARN COc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000000611681 563698695 /nfs/dbraw/zinc/69/86/95/563698695.db2.gz CQLZEXCOWYBMAG-UHFFFAOYSA-N 0 0 321.720 3.901 50 5 DHBARN CCC[C@H](C)c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000000618125 563698881 /nfs/dbraw/zinc/69/88/81/563698881.db2.gz KJJSJCVKBLPUCQ-VIFPVBQESA-N 0 0 320.374 3.602 50 5 DHBARN O=C(Nc1cccnc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000715474 563709301 /nfs/dbraw/zinc/70/93/01/563709301.db2.gz DEBZJMAGUOITJY-UHFFFAOYSA-N 0 0 312.112 3.549 50 5 DHBARN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000008062411 563719231 /nfs/dbraw/zinc/71/92/31/563719231.db2.gz SOPKFGSROCDCQX-NSHDSACASA-N 0 0 310.309 3.832 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1(c2ccccc2)CCC1 ZINC000025318323 563787389 /nfs/dbraw/zinc/78/73/89/563787389.db2.gz JSHMYZYUOCTANM-UHFFFAOYSA-N 0 0 310.353 3.964 50 5 DHBARN COc1cc(C(C)=O)ccc1Oc1ccc(F)cc1[N+](=O)[O-] ZINC000025370013 563787566 /nfs/dbraw/zinc/78/75/66/563787566.db2.gz MEZYHPMXEOWFAV-UHFFFAOYSA-N 0 0 305.261 3.737 50 5 DHBARN O=[N+]([O-])c1ccccc1OCc1csc(-c2ccco2)n1 ZINC000025455680 563789110 /nfs/dbraw/zinc/78/91/10/563789110.db2.gz LOLLURBOIBYDNZ-UHFFFAOYSA-N 0 0 302.311 3.890 50 5 DHBARN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccccc1 ZINC000001518069 563845651 /nfs/dbraw/zinc/84/56/51/563845651.db2.gz ZFONMMWOHSWVAL-UHFFFAOYSA-N 0 0 314.326 3.849 50 5 DHBARN Cc1cc(F)cc(C(=O)NCCC2=CCCCC2)c1[N+](=O)[O-] ZINC000075108430 563859595 /nfs/dbraw/zinc/85/95/95/563859595.db2.gz MZQZVFVEUZIYKD-UHFFFAOYSA-N 0 0 306.337 3.663 50 5 DHBARN O=C(OCc1cnc(-c2ccccc2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000075279558 563862966 /nfs/dbraw/zinc/86/29/66/563862966.db2.gz ISLNRRSYJAAKPK-UHFFFAOYSA-N 0 0 324.292 3.607 50 5 DHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccccc1Cl ZINC000001732586 563870274 /nfs/dbraw/zinc/87/02/74/563870274.db2.gz QEFYUBVNNFOTOX-UHFFFAOYSA-N 0 0 321.720 3.901 50 5 DHBARN CC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000090466190 563870550 /nfs/dbraw/zinc/87/05/50/563870550.db2.gz UYCCXRSHNBFZTJ-KFWWJZLASA-N 0 0 314.341 3.559 50 5 DHBARN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCOc3ccccc32)c1 ZINC000237833241 563883914 /nfs/dbraw/zinc/88/39/14/563883914.db2.gz QWZMFQLFQFYWML-OAHLLOKOSA-N 0 0 318.760 3.862 50 5 DHBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CCC2 ZINC000006942806 563900021 /nfs/dbraw/zinc/90/00/21/563900021.db2.gz LZMBRHKUIGAMKE-IZZDOVSWSA-N 0 0 308.337 3.735 50 5 DHBARN CC(C)[C@@H](C)NC(=O)CS[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000007133363 563903629 /nfs/dbraw/zinc/90/36/29/563903629.db2.gz NMCGBVSXZNXJRB-NEPJUHHUSA-N 0 0 310.419 3.550 50 5 DHBARN O=C(c1ccccc1[N+](=O)[O-])N1CCCSc2ccccc21 ZINC000037084819 563905765 /nfs/dbraw/zinc/90/57/65/563905765.db2.gz VNAKKNNRUDGIKV-UHFFFAOYSA-N 0 0 314.366 3.737 50 5 DHBARN CC(C)OCc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000007476584 563906731 /nfs/dbraw/zinc/90/67/31/563906731.db2.gz XWJXKPOIRNHYIQ-UHFFFAOYSA-N 0 0 314.341 3.772 50 5 DHBARN Cc1c(COc2cccnc2OC(C)C)cccc1[N+](=O)[O-] ZINC000170593809 563907140 /nfs/dbraw/zinc/90/71/40/563907140.db2.gz PTBNADJLZFSWTA-UHFFFAOYSA-N 0 0 302.330 3.664 50 5 DHBARN CCn1c2ccc(C)cc2nc1-c1ccc(NC)c([N+](=O)[O-])c1 ZINC000170631117 563908974 /nfs/dbraw/zinc/90/89/74/563908974.db2.gz LADMBEKDVMLIQE-UHFFFAOYSA-N 0 0 310.357 3.982 50 5 DHBARN Cc1nc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cs1 ZINC000037362196 563913985 /nfs/dbraw/zinc/91/39/85/563913985.db2.gz NQLVPEAHWDNKAA-UHFFFAOYSA-N 0 0 317.292 3.991 50 5 DHBARN CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H]1c1cccs1 ZINC000195335493 563919251 /nfs/dbraw/zinc/91/92/51/563919251.db2.gz QNKGRPUPJCDVDT-LLVKDONJSA-N 0 0 306.391 3.523 50 5 DHBARN O=C(c1cccc([N+](=O)[O-])c1)N1CC=C(c2cccs2)CC1 ZINC000096409976 563936903 /nfs/dbraw/zinc/93/69/03/563936903.db2.gz JQHKDOKGVYJTBK-UHFFFAOYSA-N 0 0 314.366 3.586 50 5 DHBARN Cc1ccc(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c(C)c1 ZINC000055824382 563939136 /nfs/dbraw/zinc/93/91/36/563939136.db2.gz YTNRZLSLBWSTQL-UHFFFAOYSA-N 0 0 324.340 3.874 50 5 DHBARN CCC[C@H](C)c1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000002865387 563941119 /nfs/dbraw/zinc/94/11/19/563941119.db2.gz AFULMXYHTRFEMQ-VIFPVBQESA-N 0 0 320.374 3.602 50 5 DHBARN COc1cc(C)ccc1OCCOc1ccc(C)cc1[N+](=O)[O-] ZINC000002985156 563941495 /nfs/dbraw/zinc/94/14/95/563941495.db2.gz UEIKGEZJKIKAJU-UHFFFAOYSA-N 0 0 317.341 3.678 50 5 DHBARN CC1CCN(c2cc(N3CCCC3)c([N+](=O)[O-])cc2F)CC1 ZINC000004188716 563945574 /nfs/dbraw/zinc/94/55/74/563945574.db2.gz UVPOKNLXQJBKMR-UHFFFAOYSA-N 0 0 307.369 3.570 50 5 DHBARN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000007981766 563945878 /nfs/dbraw/zinc/94/58/78/563945878.db2.gz CEKAQAPHAPZRPU-GFCCVEGCSA-N 0 0 319.342 3.906 50 5 DHBARN CSc1ccc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000007982280 563945983 /nfs/dbraw/zinc/94/59/83/563945983.db2.gz OBUCLDQUZDQPKY-UHFFFAOYSA-N 0 0 316.382 3.589 50 5 DHBARN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000008034008 563946301 /nfs/dbraw/zinc/94/63/01/563946301.db2.gz UBIDTOOCOXHWTH-LLVKDONJSA-N 0 0 318.760 3.668 50 5 DHBARN COc1cc(C(=O)Nc2cccc(SC)c2)cc([N+](=O)[O-])c1 ZINC000008709312 563949992 /nfs/dbraw/zinc/94/99/92/563949992.db2.gz QCGNLEHXXQYELP-UHFFFAOYSA-N 0 0 318.354 3.578 50 5 DHBARN Cc1nnc(Sc2ncccc2[N+](=O)[O-])n1C1CCCCC1 ZINC000008745603 563950444 /nfs/dbraw/zinc/95/04/44/563950444.db2.gz VKVFPLLBLVCCJA-UHFFFAOYSA-N 0 0 319.390 3.546 50 5 DHBARN O=C(Nc1ccccc1O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000009690245 563957283 /nfs/dbraw/zinc/95/72/83/563957283.db2.gz ISIHTTUBSDZLLX-UHFFFAOYSA-N 0 0 314.322 3.767 50 5 DHBARN O=c1c2ccccc2c2ccccc2c(=O)n1-c1ccccc1F ZINC000000211410 1019550159 /nfs/dbraw/zinc/55/01/59/1019550159.db2.gz VXZMQGNSMPCDTO-UHFFFAOYSA-N 0 0 317.319 3.643 50 5 DHBARN COc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000000461253 1019922357 /nfs/dbraw/zinc/92/23/57/1019922357.db2.gz AANZEFIZELICJA-UXBLZVDNSA-N 0 0 312.325 3.564 50 5 DHBARN Cc1cc(C)cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000000587213 1022424957 /nfs/dbraw/zinc/42/49/57/1022424957.db2.gz VAEHHKIKUKDVRI-UHFFFAOYSA-N 0 0 314.341 3.538 50 5 DHBARN Cc1c(C(=O)OC(C)(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000601014748 1024750706 /nfs/dbraw/zinc/75/07/06/1024750706.db2.gz APYWNPYPIRBBLT-UHFFFAOYSA-N 0 0 316.151 3.621 50 5 DHBARN O=[N+]([O-])c1cnc(N2CCCCC[C@@H]2/C=C\c2ccccc2)nc1 ZINC000222331163 1026181909 /nfs/dbraw/zinc/18/19/09/1026181909.db2.gz RRTALPJUPGMPJL-BLIJAFNYSA-N 0 0 324.384 3.847 50 5 DHBARN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(F)c(F)c1 ZINC000015215933 1026347106 /nfs/dbraw/zinc/34/71/06/1026347106.db2.gz YQZKVGOUGYLBDK-UHFFFAOYSA-N 0 0 303.220 3.850 50 5 DHBARN O=[N+]([O-])c1c(N2CCCC[C@@H]2c2ccco2)nc2sccn21 ZINC000095397846 185353373 /nfs/dbraw/zinc/35/33/73/185353373.db2.gz DSQGWOZSTJZWQX-SNVBAGLBSA-N 0 0 318.358 3.629 50 5 DHBARN Cn1cc([C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C(C)(C)C)cn1 ZINC000095409778 185357039 /nfs/dbraw/zinc/35/70/39/185357039.db2.gz YFCAQFUOECBPBZ-CQSZACIVSA-N 0 0 306.341 3.667 50 5 DHBARN CCSc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1 ZINC000000092603 180690204 /nfs/dbraw/zinc/69/02/04/180690204.db2.gz JVDXZCOLDAYPRE-UHFFFAOYSA-N 0 0 302.355 3.959 50 5 DHBARN COC(=O)c1sccc1Oc1c(Cl)cccc1[N+](=O)[O-] ZINC000000166272 180712928 /nfs/dbraw/zinc/71/29/28/180712928.db2.gz TVRAOCOTRWEDTP-UHFFFAOYSA-N 0 0 313.718 3.889 50 5 DHBARN O=C1CS[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1F ZINC000000423986 180785301 /nfs/dbraw/zinc/78/53/01/180785301.db2.gz IHPGVJDYGWIARM-OAHLLOKOSA-N 0 0 318.329 3.513 50 5 DHBARN O=[N+]([O-])c1cccc(-c2noc(CCCc3ccccc3)n2)c1 ZINC000000458248 180797373 /nfs/dbraw/zinc/79/73/73/180797373.db2.gz MRYOZRFPVBYFPV-UHFFFAOYSA-N 0 0 309.325 3.820 50 5 DHBARN Cc1cccc(C(=O)N[C@@H](C)CCc2ccccc2)c1[N+](=O)[O-] ZINC000000464963 180799566 /nfs/dbraw/zinc/79/95/66/180799566.db2.gz ZQYSJDGFJUBACZ-AWEZNQCLSA-N 0 0 312.369 3.654 50 5 DHBARN O=[N+]([O-])c1ccc(-c2nc(Cc3ccccc3Cl)no2)cc1 ZINC000000442891 180792682 /nfs/dbraw/zinc/79/26/82/180792682.db2.gz MPGBJKNSHZPLBF-UHFFFAOYSA-N 0 0 315.716 3.889 50 5 DHBARN Cc1c(C(=O)N[C@@H]2CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000003608563 181040276 /nfs/dbraw/zinc/04/02/76/181040276.db2.gz BPUBYMOISIDPQJ-MRXNPFEDSA-N 0 0 310.353 3.711 50 5 DHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1csc2c1CCCC2 ZINC000003899460 181054297 /nfs/dbraw/zinc/05/42/97/181054297.db2.gz SYMCYISXUNDOEY-UHFFFAOYSA-N 0 0 302.355 3.787 50 5 DHBARN CCOc1ccc(/C=C/C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000004040995 181065886 /nfs/dbraw/zinc/06/58/86/181065886.db2.gz HQHWXMKVNWUSSA-FMIVXFBMSA-N 0 0 312.325 3.645 50 5 DHBARN O=[N+]([O-])c1c2nsnc2ccc1Nc1ccc(Cl)cc1 ZINC000004361994 181102741 /nfs/dbraw/zinc/10/27/41/181102741.db2.gz BYIHBVAMRMBZKL-UHFFFAOYSA-N 0 0 306.734 3.997 50 5 DHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C)=C/c1ccccc1 ZINC000004599999 181129028 /nfs/dbraw/zinc/12/90/28/181129028.db2.gz JJGDTWOZMXQHQF-ZRDIBKRKSA-N 0 0 312.325 3.645 50 5 DHBARN CC[C@@H](C)NC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000004660701 181133630 /nfs/dbraw/zinc/13/36/30/181133630.db2.gz BQNRRPUMHAQWDJ-CYBMUJFWSA-N 0 0 319.405 3.504 50 5 DHBARN COc1ccc(NC(=O)CCC2CCCCC2)c([N+](=O)[O-])c1 ZINC000004702884 181139920 /nfs/dbraw/zinc/13/99/20/181139920.db2.gz JHRIHGBPTZTHOZ-UHFFFAOYSA-N 0 0 306.362 3.902 50 5 DHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(C)cc1Cl ZINC000004755459 181149054 /nfs/dbraw/zinc/14/90/54/181149054.db2.gz OJWAJFAXOMBEBR-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN COc1ccc([N+](=O)[O-])cc1COc1cccc2cccnc21 ZINC000004789024 181152293 /nfs/dbraw/zinc/15/22/93/181152293.db2.gz LHEYFGVZJBCOOF-UHFFFAOYSA-N 0 0 310.309 3.731 50 5 DHBARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000004810957 181154756 /nfs/dbraw/zinc/15/47/56/181154756.db2.gz YFXJMEJIEHLLTR-ZDUSSCGKSA-N 0 0 314.341 3.618 50 5 DHBARN Cc1cccc(O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1C ZINC000004949469 181178202 /nfs/dbraw/zinc/17/82/02/181178202.db2.gz LUCBRCDVOJLKOZ-CYBMUJFWSA-N 0 0 314.341 3.618 50 5 DHBARN O=C1c2ccccc2CC[C@@]12N=NC[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000005253036 181222482 /nfs/dbraw/zinc/22/24/82/181222482.db2.gz ACCOTTALHJCHOV-AEFFLSMTSA-N 0 0 321.336 3.712 50 5 DHBARN Cc1ccc(CNC(=O)OCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000005681591 181271971 /nfs/dbraw/zinc/27/19/71/181271971.db2.gz RRCOMDVWCZTXAC-UHFFFAOYSA-N 0 0 314.341 3.638 50 5 DHBARN C[C@@H](CCc1ccccc1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000005880892 181292190 /nfs/dbraw/zinc/29/21/90/181292190.db2.gz FHHUOSHVQPCJKV-GOFCXVBSSA-N 0 0 324.380 3.746 50 5 DHBARN Cc1noc(/C=C\c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000006167198 181317233 /nfs/dbraw/zinc/31/72/33/181317233.db2.gz SMRQMCKIYHUYRB-DAXSKMNVSA-N 0 0 309.119 3.824 50 5 DHBARN O=[N+]([O-])c1ccc(-c2nnsc2-c2nc3ccccc3[nH]2)cc1 ZINC000006584192 181357208 /nfs/dbraw/zinc/35/72/08/181357208.db2.gz RIEGVXKGVMJQCJ-UHFFFAOYSA-N 0 0 323.337 3.657 50 5 DHBARN O=[N+]([O-])c1ccc2[nH]c(C=Cc3cccc([N+](=O)[O-])c3)nc2c1 ZINC000008578093 181566273 /nfs/dbraw/zinc/56/62/73/181566273.db2.gz QQNILPRNDUTMRY-QPJJXVBHSA-N 0 0 310.269 3.550 50 5 DHBARN O=c1sc2ccccc2c(NCc2ccccc2)c1[N+](=O)[O-] ZINC000008656574 181570739 /nfs/dbraw/zinc/57/07/39/181570739.db2.gz CBIACJWRJQGSOI-UHFFFAOYSA-N 0 0 312.350 3.782 50 5 DHBARN C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000009451380 181622372 /nfs/dbraw/zinc/62/23/72/181622372.db2.gz UIEWYJYBPLZLHT-GFCCVEGCSA-N 0 0 324.336 3.761 50 5 DHBARN Cc1ccc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000011400252 181690808 /nfs/dbraw/zinc/69/08/08/181690808.db2.gz WIXNJJFCDWTQFI-UHFFFAOYSA-N 0 0 316.382 3.942 50 5 DHBARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000015837929 182021146 /nfs/dbraw/zinc/02/11/46/182021146.db2.gz KDJNDJRUMRFTGX-CYBMUJFWSA-N 0 0 315.329 3.865 50 5 DHBARN O=[N+]([O-])c1cccc(NC(=S)Nc2cc(Cl)ccc2O)c1 ZINC000017056761 182074123 /nfs/dbraw/zinc/07/41/23/182074123.db2.gz MAWFXCIXPPZSRK-UHFFFAOYSA-N 0 0 323.761 3.763 50 5 DHBARN COc1ccc(NC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000023392141 182359953 /nfs/dbraw/zinc/35/99/53/182359953.db2.gz TUQDLFUJQWYPGT-GMXVVIOVSA-N 0 0 321.377 3.550 50 5 DHBARN COc1ccc(CSc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000023634768 182365104 /nfs/dbraw/zinc/36/51/04/182365104.db2.gz QOOFKYKLZIBUCP-UHFFFAOYSA-N 0 0 315.354 3.772 50 5 DHBARN Cc1cc(C(=O)N(C)[C@@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000024831932 182392268 /nfs/dbraw/zinc/39/22/68/182392268.db2.gz VEPHQZQAPOJVJS-QGZVFWFLSA-N 0 0 310.353 3.663 50 5 DHBARN Cc1ccc(C(=O)Nc2cccc(-c3cc[nH]n3)c2)cc1[N+](=O)[O-] ZINC000024883848 182393911 /nfs/dbraw/zinc/39/39/11/182393911.db2.gz PQXNVXBIWDUZRB-UHFFFAOYSA-N 0 0 322.324 3.546 50 5 DHBARN CNc1ccc(C(=O)N(C)[C@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000032842014 182670820 /nfs/dbraw/zinc/67/08/20/182670820.db2.gz VYOYISJFORMTPD-SNVBAGLBSA-N 0 0 319.386 3.531 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccco1)C1CC1 ZINC000040525435 183092207 /nfs/dbraw/zinc/09/22/07/183092207.db2.gz WMPPUXANKRNNPB-UHFFFAOYSA-N 0 0 315.329 3.693 50 5 DHBARN CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000043272848 183349828 /nfs/dbraw/zinc/34/98/28/183349828.db2.gz MUSYGICPESBCKL-UHFFFAOYSA-N 0 0 324.340 3.671 50 5 DHBARN O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)N(c1ccccc1)CCS2 ZINC000003877514 134421894 /nfs/dbraw/zinc/42/18/94/134421894.db2.gz YXUHSWHNUGGMRZ-UHFFFAOYSA-N 0 0 317.326 3.747 50 5 DHBARN O=[N+]([O-])c1cccnc1N1CCC(c2nc3ccccc3o2)CC1 ZINC000024107115 134660771 /nfs/dbraw/zinc/66/07/71/134660771.db2.gz QCHLFLRXXAFCAV-UHFFFAOYSA-N 0 0 324.340 3.515 50 5 DHBARN C[C@H](CCc1ccccc1)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000000463639 331462783 /nfs/dbraw/zinc/46/27/83/331462783.db2.gz DUKYUTFWQHDVJZ-SZGUKTLCSA-N 0 0 324.380 3.746 50 5 DHBARN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc3[nH]ccc3cc2C)c1 ZINC000390835163 336947263 /nfs/dbraw/zinc/94/72/63/336947263.db2.gz FSGYIJYIMVAQML-UHFFFAOYSA-N 0 0 309.325 3.945 50 5 DHBARN CCc1sc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1C ZINC000032714761 563381101 /nfs/dbraw/zinc/38/11/01/563381101.db2.gz NDZLANIYBQECKK-UHFFFAOYSA-N 0 0 320.370 3.788 50 5 DHBARN Cc1cc(C(=O)N[C@H](C)Cc2ccccc2)cc(C)c1[N+](=O)[O-] ZINC000000329698 563413520 /nfs/dbraw/zinc/41/35/20/563413520.db2.gz ZECHURSRSYIZGX-CQSZACIVSA-N 0 0 312.369 3.573 50 5 DHBARN O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)no2)ccc1Cl ZINC000013921049 563479579 /nfs/dbraw/zinc/47/95/79/563479579.db2.gz DYKINWUICQCLAY-UHFFFAOYSA-N 0 0 301.689 3.965 50 5 DHBARN CCOc1cc(N[C@@H](C)c2csc(C)n2)ccc1[N+](=O)[O-] ZINC000096453668 563482887 /nfs/dbraw/zinc/48/28/87/563482887.db2.gz SODRRACKBCTTRI-VIFPVBQESA-N 0 0 307.375 3.932 50 5 DHBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2)no1 ZINC000033158523 563497904 /nfs/dbraw/zinc/49/79/04/563497904.db2.gz JHJXXFGYGAWFKR-UHFFFAOYSA-N 0 0 309.281 3.502 50 5 DHBARN O=[N+]([O-])c1ccc(N2CCN(c3cccc(Cl)c3)CC2)s1 ZINC000004686437 563497944 /nfs/dbraw/zinc/49/79/44/563497944.db2.gz ITMLVLWMPCEXHR-UHFFFAOYSA-N 0 0 323.805 3.636 50 5 DHBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000000239828 563580283 /nfs/dbraw/zinc/58/02/83/563580283.db2.gz JLCXWYPZAHWPAJ-WCQYABFASA-N 0 0 322.792 3.901 50 5 DHBARN CCN(CC)C(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000000235688 563580489 /nfs/dbraw/zinc/58/04/89/563580489.db2.gz ZGSXFSGZTNYVND-ZRDIBKRKSA-N 0 0 314.341 3.736 50 5 DHBARN CCc1ccc(-c2nc(N)c3c(n2)c2ccccc2oc3=O)cc1 ZINC000000245834 563581121 /nfs/dbraw/zinc/58/11/21/563581121.db2.gz KJFCIYMMABRTEQ-UHFFFAOYSA-N 0 0 317.348 3.548 50 5 DHBARN COc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000000299616 563584608 /nfs/dbraw/zinc/58/46/08/563584608.db2.gz ZDSBHAQXBDRUGV-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN Cc1cc(C)c(/C(=C2\OC(=O)c3ccccc32)[N+](=O)[O-])cc1C ZINC000000295956 563585465 /nfs/dbraw/zinc/58/54/65/563585465.db2.gz DWNWOBJVFUNKNV-WUKNDPDISA-N 0 0 309.321 3.885 50 5 DHBARN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1Cl ZINC000000318634 563587768 /nfs/dbraw/zinc/58/77/68/563587768.db2.gz IFVYCHVYMFGWPD-UHFFFAOYSA-N 0 0 308.696 3.948 50 5 DHBARN Cc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1Cl ZINC000000318482 563587793 /nfs/dbraw/zinc/58/77/93/563587793.db2.gz NOZZQPZLRLNZPD-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN O=C(/C=C/c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000431957 563614018 /nfs/dbraw/zinc/61/40/18/563614018.db2.gz YWQDNMWOBPTEGN-RMKNXTFCSA-N 0 0 302.717 3.900 50 5 DHBARN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1 ZINC000000453503 563615697 /nfs/dbraw/zinc/61/56/97/563615697.db2.gz SAZIHRHHQSNOPA-UHFFFAOYSA-N 0 0 320.345 3.606 50 5 DHBARN COc1cc(NC(=O)c2cccc(Cl)c2)cc([N+](=O)[O-])c1 ZINC000001027904 563619629 /nfs/dbraw/zinc/61/96/29/563619629.db2.gz HIBYXECQOHLWHL-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN C[C@H](C(=O)Nc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000000471383 563624351 /nfs/dbraw/zinc/62/43/51/563624351.db2.gz KSWAUQRCAXOIRZ-JTQLQIEISA-N 0 0 304.733 3.990 50 5 DHBARN O=[N+]([O-])c1ccc(Cl)c(I)c1Cl ZINC000168597183 563645268 /nfs/dbraw/zinc/64/52/68/563645268.db2.gz SSHBAVLTTMLJJL-UHFFFAOYSA-N 0 0 317.897 3.506 50 5 DHBARN Cc1cc(C)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000000512453 563659620 /nfs/dbraw/zinc/65/96/20/563659620.db2.gz HRGKBBGIGRVZDA-UHFFFAOYSA-N 0 0 314.341 3.538 50 5 DHBARN Cc1c(NC(=S)Nc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000000611899 563698846 /nfs/dbraw/zinc/69/88/46/563698846.db2.gz AWRDGBPTPVEFJZ-UHFFFAOYSA-N 0 0 305.334 3.851 50 5 DHBARN Cc1cc(C(=O)OCc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000000618148 563698930 /nfs/dbraw/zinc/69/89/30/563698930.db2.gz DRECXRFBIHZKNR-UHFFFAOYSA-N 0 0 305.717 3.914 50 5 DHBARN Cc1ccc(-n2cc(C=O)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000000732189 563711768 /nfs/dbraw/zinc/71/17/68/563711768.db2.gz BWJOWGSSDMKGTP-UHFFFAOYSA-N 0 0 307.309 3.568 50 5 DHBARN CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000000859360 563772297 /nfs/dbraw/zinc/77/22/97/563772297.db2.gz OVJYPNTXYSRXDR-UHFFFAOYSA-N 0 0 320.732 3.899 50 5 DHBARN COc1ccc2nc3c4cccc5cccc(c(=O)n3c2c1)c54 ZINC000001323481 563811729 /nfs/dbraw/zinc/81/17/29/563811729.db2.gz YJWLUPCULVIOEI-UHFFFAOYSA-N 0 0 300.317 3.601 50 5 DHBARN Cc1cc2nc(Oc3cccc([N+](=O)[O-])c3)c3ccccc3n2n1 ZINC000084129422 563823564 /nfs/dbraw/zinc/82/35/64/563823564.db2.gz YMSNUBNGKGDNKY-UHFFFAOYSA-N 0 0 320.308 3.891 50 5 DHBARN CC(C)=C[C@H]1[C@H](C(=O)OCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000084671195 563829703 /nfs/dbraw/zinc/82/97/03/563829703.db2.gz OPZSANIOIAAUSP-DZGCQCFKSA-N 0 0 303.358 3.876 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1c[nH]c2ccccc12 ZINC000012776455 563829736 /nfs/dbraw/zinc/82/97/36/563829736.db2.gz SRBBAQFSSCLZLR-UHFFFAOYSA-N 0 0 309.325 3.566 50 5 DHBARN CN(OCc1ccccc1)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000089365670 563885009 /nfs/dbraw/zinc/88/50/09/563885009.db2.gz JLCQNVZYXDCYEL-UHFFFAOYSA-N 0 0 315.354 3.773 50 5 DHBARN O=[N+]([O-])c1ccc(OCCC(F)(F)F)cc1Br ZINC000169725345 563895905 /nfs/dbraw/zinc/89/59/05/563895905.db2.gz GJWDHMVBTMNMJO-UHFFFAOYSA-N 0 0 314.057 3.689 50 5 DHBARN CCO[C@@H](C)c1noc(-c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC000170628868 563908868 /nfs/dbraw/zinc/90/88/68/563908868.db2.gz DKIQHQKMFAXIHL-QMMMGPOBSA-N 0 0 319.342 3.957 50 5 DHBARN C[C@H](Nc1cccc(C[S@](C)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000195552435 563919701 /nfs/dbraw/zinc/91/97/01/563919701.db2.gz CHCOBUZISMTMTJ-YTEVENLXSA-N 0 0 318.398 3.646 50 5 DHBARN O=c1ccc2c(Oc3ccc([N+](=O)[O-])cc3F)cc[nH]c-2c1 ZINC000143494612 563924299 /nfs/dbraw/zinc/92/42/99/563924299.db2.gz ORSCRIJOVRKFEO-UHFFFAOYSA-N 0 0 300.245 3.780 50 5 DHBARN CCCCc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1 ZINC000002299539 563925568 /nfs/dbraw/zinc/92/55/68/563925568.db2.gz LJRBSJNTYPFZOI-UHFFFAOYSA-N 0 0 323.352 3.637 50 5 DHBARN C[C@@H](CCC(=O)c1ccc([N+](=O)[O-])cc1)C1OCC(C)(C)CO1 ZINC000095932580 563931991 /nfs/dbraw/zinc/93/19/91/563931991.db2.gz KTWWZEMOHMZRHF-LBPRGKRZSA-N 0 0 321.373 3.593 50 5 DHBARN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cl ZINC000002644743 563940074 /nfs/dbraw/zinc/94/00/74/563940074.db2.gz OLOQWBOKFBYBCD-UHFFFAOYSA-N 0 0 322.773 3.979 50 5 DHBARN O=C(O[C@H]1C=C[C@@H]2CC[C@@H]3CC[C@@H]1[C@H]23)c1ccc([N+](=O)[O-])cc1 ZINC000230116509 563941725 /nfs/dbraw/zinc/94/17/25/563941725.db2.gz JRZRZDAXZSLBIC-PQTROMPISA-N 0 0 313.353 3.742 50 5 DHBARN Cc1cc(C(=O)N(Cc2cccs2)C2CC2)ccc1[N+](=O)[O-] ZINC000030303840 563942870 /nfs/dbraw/zinc/94/28/70/563942870.db2.gz UKAVNRYOQXNOII-UHFFFAOYSA-N 0 0 316.382 3.770 50 5 DHBARN CC(=O)c1ccc(NCCOc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000030620977 563943579 /nfs/dbraw/zinc/94/35/79/563943579.db2.gz GYBYEXBPOPCSEQ-UHFFFAOYSA-N 0 0 314.341 3.597 50 5 DHBARN Cc1cc(C)cc(NC(=O)CCOc2cccc([N+](=O)[O-])c2)c1 ZINC000031482783 563944546 /nfs/dbraw/zinc/94/45/46/563944546.db2.gz CJTZBEYMONGLIW-UHFFFAOYSA-N 0 0 314.341 3.619 50 5 DHBARN O=C(Cc1ccc2ccccc2c1)Nc1ccc([N+](=O)[O-])cc1[O-] ZINC000008187791 563947028 /nfs/dbraw/zinc/94/70/28/563947028.db2.gz PAZBGRCTMQQNFI-UHFFFAOYSA-N 0 0 322.320 3.635 50 5 DHBARN CC1=C(C)[C@@H](Nc2ccc([N+](=O)[O-])cc2)N(CCC(C)C)C1=O ZINC000008916659 563951337 /nfs/dbraw/zinc/95/13/37/563951337.db2.gz PPHNQGXGUYUSLR-INIZCTEOSA-N 0 0 317.389 3.558 50 5 DHBARN Cc1c(OCc2nc(-c3ccsc3)no2)cccc1[N+](=O)[O-] ZINC000047355463 568415125 /nfs/dbraw/zinc/41/51/25/568415125.db2.gz FXOKZCXEEWHMOJ-UHFFFAOYSA-N 0 0 317.326 3.594 50 5 DHBARN O=C(c1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000002392565 568421887 /nfs/dbraw/zinc/42/18/87/568421887.db2.gz JBTVSXLUBZLXSB-UHFFFAOYSA-N 0 0 306.115 3.588 50 5 DHBARN O=[N+]([O-])c1ccc(/C=C/Sc2nnc(C3CC3)n2C2CC2)o1 ZINC000014731037 1022810885 /nfs/dbraw/zinc/81/08/85/1022810885.db2.gz KOKWOKKSDODFAT-BQYQJAHWSA-N 0 0 318.358 3.755 50 5 DHBARN CCCOc1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])o1 ZINC000009690264 1028480591 /nfs/dbraw/zinc/48/05/91/1028480591.db2.gz VOOIVDSCUUQFPM-VQHVLOKHSA-N 0 0 316.313 3.629 50 5 DHBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)Oc1ccc(F)cc1 ZINC000002173632 1037614162 /nfs/dbraw/zinc/61/41/62/1037614162.db2.gz CETZNQVYWYEJGU-UHFFFAOYSA-N 0 0 310.668 3.998 50 5 DHBARN CC(=O)Nc1ccc(Cl)c(NCc2ccccc2[N+](=O)[O-])c1 ZINC000083139089 185213980 /nfs/dbraw/zinc/21/39/80/185213980.db2.gz HCAUGPRBTZJFIV-UHFFFAOYSA-N 0 0 319.748 3.819 50 5 DHBARN Cn1cc([C@H](Nc2ccc(F)cc2[N+](=O)[O-])C(C)(C)C)cn1 ZINC000095409779 185357067 /nfs/dbraw/zinc/35/70/67/185357067.db2.gz YFCAQFUOECBPBZ-AWEZNQCLSA-N 0 0 306.341 3.667 50 5 DHBARN Cn1ncc2c1nc1c3ccc(O)cc3oc1c2-c1ccco1 ZINC000253413678 186310524 /nfs/dbraw/zinc/31/05/24/186310524.db2.gz VKHFOHAZPMJXMF-UHFFFAOYSA-N 0 0 305.293 3.833 50 5 DHBARN Cc1ccc(CCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000000091293 180689861 /nfs/dbraw/zinc/68/98/61/180689861.db2.gz IALCPDWUFZISDS-UHFFFAOYSA-N 0 0 308.721 3.721 50 5 DHBARN CCN(Cc1ccccc1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000271898 180744687 /nfs/dbraw/zinc/74/46/87/180744687.db2.gz VDTSYXSLPINNCH-UHFFFAOYSA-N 0 0 318.760 3.911 50 5 DHBARN C[C@@H](CC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1 ZINC000000303857 180753187 /nfs/dbraw/zinc/75/31/87/180753187.db2.gz KOGAOBYLOKITFY-NSHDSACASA-N 0 0 302.305 3.866 50 5 DHBARN O=[N+]([O-])c1cc(-c2nc3ccccc3s2)cc([N+](=O)[O-])c1 ZINC000001595022 180876886 /nfs/dbraw/zinc/87/68/86/180876886.db2.gz CIIAWHHPQYIDSE-UHFFFAOYSA-N 0 0 301.283 3.780 50 5 DHBARN CCCOc1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000002064507 180909026 /nfs/dbraw/zinc/90/90/26/180909026.db2.gz HOHOEQLILBSSHX-UHFFFAOYSA-N 0 0 318.304 3.775 50 5 DHBARN Cc1nn([C@H](C)C(=O)c2cccc(Cl)c2)c(C)c1[N+](=O)[O-] ZINC000002661216 180945501 /nfs/dbraw/zinc/94/55/01/180945501.db2.gz ILVFMZWRIRBOCO-SNVBAGLBSA-N 0 0 307.737 3.505 50 5 DHBARN C[C@@H](Oc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1 ZINC000002659868 180945676 /nfs/dbraw/zinc/94/56/76/180945676.db2.gz WUAYLVGMCVTUKM-SNVBAGLBSA-N 0 0 320.732 3.654 50 5 DHBARN COc1cc(C)ccc1OCCCOc1ccccc1[N+](=O)[O-] ZINC000002985093 180974057 /nfs/dbraw/zinc/97/40/57/180974057.db2.gz FNPAHVOKAJTLPN-UHFFFAOYSA-N 0 0 317.341 3.760 50 5 DHBARN Cc1cc(C(=O)COc2ccccc2[N+](=O)[O-])c(C)n1C1CC1 ZINC000003426561 181018165 /nfs/dbraw/zinc/01/81/65/181018165.db2.gz NQHJWGJXNYZRBT-UHFFFAOYSA-N 0 0 314.341 3.610 50 5 DHBARN CCC(CC)c1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000003558557 181034570 /nfs/dbraw/zinc/03/45/70/181034570.db2.gz KKOUQURCPPYAKT-UHFFFAOYSA-N 0 0 320.374 3.602 50 5 aggregator DHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000003898144 181054097 /nfs/dbraw/zinc/05/40/97/181054097.db2.gz CJNOQHFTPGQBMZ-UHFFFAOYSA-N 0 0 321.130 3.610 50 5 DHBARN COc1ccccc1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004036959 181065937 /nfs/dbraw/zinc/06/59/37/181065937.db2.gz XLMHJZQASWGTIK-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN Cc1cccc2c(=O)oc(/C=C/c3ccc([N+](=O)[O-])cc3)nc12 ZINC000004223214 181086057 /nfs/dbraw/zinc/08/60/57/181086057.db2.gz ZOOVUZQXAGYMOD-JXMROGBWSA-N 0 0 308.293 3.575 50 5 DHBARN Cc1noc(/C=C/c2ccc(N3CCCCC3)o2)c1[N+](=O)[O-] ZINC000004512588 181118332 /nfs/dbraw/zinc/11/83/32/181118332.db2.gz NLCBVDPJAMDLAU-FNORWQNLSA-N 0 0 303.318 3.645 50 5 DHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H](C)c1ccccc1 ZINC000004600563 181128476 /nfs/dbraw/zinc/12/84/76/181128476.db2.gz LTNWLFRWYJGIEQ-LBPRGKRZSA-N 0 0 314.341 3.736 50 5 DHBARN CCOc1ccc(NC(=O)CCc2ccccc2)c([N+](=O)[O-])c1 ZINC000004611080 181129329 /nfs/dbraw/zinc/12/93/29/181129329.db2.gz SUSZUEBFANLQGO-UHFFFAOYSA-N 0 0 314.341 3.565 50 5 DHBARN CCCCC(=O)Nc1ccc([N+](=O)[O-])c(NC(=O)CCCC)c1 ZINC000004614471 181129873 /nfs/dbraw/zinc/12/98/73/181129873.db2.gz KTALISJOAYPNBU-UHFFFAOYSA-N 0 0 321.377 3.852 50 5 DHBARN Cc1cccc(O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000004839471 181160786 /nfs/dbraw/zinc/16/07/86/181160786.db2.gz UFQXUBFRHMSCMU-CYBMUJFWSA-N 0 0 314.341 3.618 50 5 DHBARN Cc1cc2ncn(C(=O)c3ccc([N+](=O)[O-])c(C)c3)c2cc1C ZINC000005093833 181203136 /nfs/dbraw/zinc/20/31/36/181203136.db2.gz PDPPMJJULKCQRA-UHFFFAOYSA-N 0 0 309.325 3.558 50 5 DHBARN O=C(Nc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000005394753 181238936 /nfs/dbraw/zinc/23/89/36/181238936.db2.gz XHDGGUNADZOODM-UHFFFAOYSA-N 0 0 312.112 3.549 50 5 DHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1CCCc2ccccc21 ZINC000005442976 181244331 /nfs/dbraw/zinc/24/43/31/181244331.db2.gz RUJLSQUIRLNQJC-IENJSVCTSA-N 0 0 322.364 3.802 50 5 DHBARN C[C@H](NC(=O)OCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000005672031 181270314 /nfs/dbraw/zinc/27/03/14/181270314.db2.gz IKRRTWDNMOZMKI-LBPRGKRZSA-N 0 0 300.314 3.582 50 5 DHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CCC1CCCCC1 ZINC000006126948 181315378 /nfs/dbraw/zinc/31/53/78/181315378.db2.gz NQIBCCMVMDQIEX-UHFFFAOYSA-N 0 0 306.362 3.902 50 5 DHBARN CC(=O)c1ccc(Nc2c3ccccc3oc(=O)c2[N+](=O)[O-])cc1 ZINC000006781251 181387808 /nfs/dbraw/zinc/38/78/08/181387808.db2.gz GYRICMOXRDZDFT-UHFFFAOYSA-N 0 0 324.292 3.647 50 5 DHBARN Cc1nn(CCOc2ccc(C(C)(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000008752139 181582951 /nfs/dbraw/zinc/58/29/51/181582951.db2.gz VWQRVJCCMCQCIF-UHFFFAOYSA-N 0 0 317.389 3.785 50 5 DHBARN CC(=O)Cn1c2ccccc2c2nc3cc(C)c(C)cc3nc21 ZINC000009420565 181620432 /nfs/dbraw/zinc/62/04/32/181620432.db2.gz JCHYAUURQDCVJI-UHFFFAOYSA-N 0 0 303.365 3.944 50 5 DHBARN O=C(CCCNc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1 ZINC000012607406 181782345 /nfs/dbraw/zinc/78/23/45/181782345.db2.gz MBEUPIYSMVDQKZ-UHFFFAOYSA-N 0 0 317.320 3.565 50 5 DHBARN CCN(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000017052388 182070888 /nfs/dbraw/zinc/07/08/88/182070888.db2.gz STXDSSYXMURMSC-UHFFFAOYSA-N 0 0 313.357 3.957 50 5 DHBARN O=C(Nc1ccccc1N1CCCC1)c1ccc([N+](=O)[O-])s1 ZINC000022641428 182329938 /nfs/dbraw/zinc/32/99/38/182329938.db2.gz MNHJJURKUDZROM-UHFFFAOYSA-N 0 0 317.370 3.509 50 5 DHBARN CN(C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000023151690 182351126 /nfs/dbraw/zinc/35/11/26/182351126.db2.gz QTVSHUDZQXEXME-MRXNPFEDSA-N 0 0 310.353 3.744 50 5 DHBARN COc1ccc(OC)c(CNc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000024211893 182376591 /nfs/dbraw/zinc/37/65/91/182376591.db2.gz MSOHSAAHKSOVCU-UHFFFAOYSA-N 0 0 322.748 3.878 50 5 DHBARN Cc1ccc(C(=O)COc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000024416651 182380107 /nfs/dbraw/zinc/38/01/07/182380107.db2.gz PXHBNVFMXLTQHA-UHFFFAOYSA-N 0 0 305.717 3.818 50 5 DHBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccco1)C1CC1 ZINC000029009703 182548314 /nfs/dbraw/zinc/54/83/14/182548314.db2.gz QHPBFRWMCHSIQE-UHFFFAOYSA-N 0 0 320.732 3.646 50 5 DHBARN C[C@@H](Nc1ccc([N+](=O)[O-])c2nonc21)c1ccccc1Cl ZINC000033012152 182688837 /nfs/dbraw/zinc/68/88/37/182688837.db2.gz QCCKNXGIEKCFHQ-MRVPVSSYSA-N 0 0 318.720 3.958 50 5 DHBARN Cc1cc([C@@H](C)NC(=O)c2ccccc2[N+](=O)[O-])c(C)s1 ZINC000040074309 183031399 /nfs/dbraw/zinc/03/13/99/183031399.db2.gz GADVPJQNPGARAP-SNVBAGLBSA-N 0 0 304.371 3.764 50 5 DHBARN Cc1cc2cc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2[nH]1 ZINC000040072704 183031565 /nfs/dbraw/zinc/03/15/65/183031565.db2.gz ONOPEEIDJZQDAQ-UHFFFAOYSA-N 0 0 309.325 3.945 50 5 DHBARN Cc1c(CSc2nnc3n2CCCCC3)cccc1[N+](=O)[O-] ZINC000042129663 183234279 /nfs/dbraw/zinc/23/42/79/183234279.db2.gz DTASCYZVVOVLSC-UHFFFAOYSA-N 0 0 318.402 3.513 50 5 DHBARN C[C@@H](O)c1ccc(CNc2ccc([N+](=O)[O-])c3cnccc23)cc1 ZINC000053601885 183907514 /nfs/dbraw/zinc/90/75/14/183907514.db2.gz IIUFRXFBISBRJT-GFCCVEGCSA-N 0 0 323.352 3.808 50 5 DHBARN Nc1cc(OCc2ccccc2)c(Br)cc1[N+](=O)[O-] ZINC000065336875 184324788 /nfs/dbraw/zinc/32/47/88/184324788.db2.gz DGOWGMXDNNTWKK-UHFFFAOYSA-N 0 0 323.146 3.519 50 5 DHBARN CC(=O)Nc1ccc([N+](=O)[O-])cc1OCc1ccccc1Cl ZINC000334160859 257262241 /nfs/dbraw/zinc/26/22/41/257262241.db2.gz NRIKQSOIGPPHSW-UHFFFAOYSA-N 0 0 320.732 3.786 50 5 DHBARN C[C@H](c1cccs1)N(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000017744458 331575432 /nfs/dbraw/zinc/57/54/32/331575432.db2.gz XHQGINLKXPDNKK-SNVBAGLBSA-N 0 0 305.359 3.881 50 5 DHBARN CCCC[C@H](CC)CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000002774153 563940748 /nfs/dbraw/zinc/94/07/48/563940748.db2.gz AQNKUGNUUVXILY-TZIYXEQSSA-N 0 0 304.390 3.941 50 5 DHBARN COc1ccc(OC)c2nc3c4ccccc4oc(=O)c3cc12 ZINC000000382988 563248171 /nfs/dbraw/zinc/24/81/71/563248171.db2.gz JEMAZFANOXSWLX-UHFFFAOYSA-N 0 0 307.305 3.512 50 5 DHBARN CCOc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000008185918 563344498 /nfs/dbraw/zinc/34/44/98/563344498.db2.gz GDJXIPIYQKRHES-UHFFFAOYSA-N 0 0 320.732 3.899 50 5 DHBARN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nc4ccccc4o3)C2)nc1 ZINC000032923587 563412803 /nfs/dbraw/zinc/41/28/03/563412803.db2.gz JPHYLFGVJSNBOF-GFCCVEGCSA-N 0 0 324.340 3.515 50 5 DHBARN Cc1cc(C(=O)N[C@H](c2ccccc2)C2CC2)ccc1[N+](=O)[O-] ZINC000011204295 563481195 /nfs/dbraw/zinc/48/11/95/563481195.db2.gz PHKBYXVVQBWYTK-QGZVFWFLSA-N 0 0 310.353 3.784 50 5 DHBARN CC(=O)Nc1ccc(Cl)c(NCc2cccc([N+](=O)[O-])c2)c1 ZINC000096427508 563481882 /nfs/dbraw/zinc/48/18/82/563481882.db2.gz DDMZVXIBPHCHPA-UHFFFAOYSA-N 0 0 319.748 3.819 50 5 DHBARN Cc1ccc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000011233874 563504057 /nfs/dbraw/zinc/50/40/57/563504057.db2.gz MJEIZHHARSKUKW-KRWDZBQOSA-N 0 0 310.353 3.784 50 5 DHBARN COC(=O)c1sccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000000082514 563524236 /nfs/dbraw/zinc/52/42/36/563524236.db2.gz WBCSEGRBUINVCI-UHFFFAOYSA-N 0 0 313.718 3.889 50 5 DHBARN O=C(c1cc2ccccc2o1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000011655315 563543406 /nfs/dbraw/zinc/54/34/06/563543406.db2.gz YSTYBZNHZOLKNB-UHFFFAOYSA-N 0 0 308.293 3.544 50 5 DHBARN O=C1C[C@H](c2ccccc2[N+](=O)[O-])c2cc3c(cc2N1)CCC3 ZINC000000107461 563544035 /nfs/dbraw/zinc/54/40/35/563544035.db2.gz CLSSEEVUVMQMPC-CQSZACIVSA-N 0 0 308.337 3.558 50 5 DHBARN O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)cc1)N1CCCCC1 ZINC000085210077 563567646 /nfs/dbraw/zinc/56/76/46/563567646.db2.gz VPPHDQBSFQBXOJ-UHFFFAOYSA-N 0 0 310.353 3.888 50 5 DHBARN CCCOc1cc(NC(C)C)c([N+](=O)[O-])cc1Br ZINC000085477135 563569705 /nfs/dbraw/zinc/56/97/05/563569705.db2.gz PSQQUKLSHXGSGN-UHFFFAOYSA-N 0 0 317.183 3.966 50 5 DHBARN C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000000123340 563571348 /nfs/dbraw/zinc/57/13/48/563571348.db2.gz GHGCCJAKGPIRJG-SNVBAGLBSA-N 0 0 304.733 3.739 50 5 DHBARN O=[N+]([O-])c1cccc(-c2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC000000143431 563572547 /nfs/dbraw/zinc/57/25/47/563572547.db2.gz FUVGJASYGHQIPV-UHFFFAOYSA-N 0 0 301.689 3.965 50 5 DHBARN COC(=O)c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000000167772 563573863 /nfs/dbraw/zinc/57/38/63/563573863.db2.gz DHRPZVIKUJORGC-UHFFFAOYSA-N 0 0 307.689 3.827 50 5 DHBARN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(Cl)c1Br ZINC000000264388 563583420 /nfs/dbraw/zinc/58/34/20/563583420.db2.gz DURYXFBIUHGLMF-UHFFFAOYSA-N 0 0 316.542 3.505 50 5 DHBARN O=[N+]([O-])c1cccc(-c2nnc(-c3ccccc3Cl)o2)c1 ZINC000000276087 563584243 /nfs/dbraw/zinc/58/42/43/563584243.db2.gz WEZRMEMSZUYWCE-UHFFFAOYSA-N 0 0 301.689 3.965 50 5 DHBARN O=C(Nc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000000290727 563584596 /nfs/dbraw/zinc/58/45/96/563584596.db2.gz AMUHZWDUEVMDED-UHFFFAOYSA-N 0 0 321.130 3.610 50 5 DHBARN CC(=O)c1ccc(Oc2cc(C)nc(C3CC3)n2)c([N+](=O)[O-])c1 ZINC000127948985 563587269 /nfs/dbraw/zinc/58/72/69/563587269.db2.gz GBHOSLAKGOZXTO-UHFFFAOYSA-N 0 0 313.313 3.566 50 5 DHBARN Cc1cc(O)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C ZINC000000330828 563588726 /nfs/dbraw/zinc/58/87/26/563588726.db2.gz HTPSLDUQDAESRR-UHFFFAOYSA-N 0 0 320.732 3.823 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Cl)ccc1[O-] ZINC000000349185 563588884 /nfs/dbraw/zinc/58/88/84/563588884.db2.gz YWUQPKZBIOCLSK-UHFFFAOYSA-N 0 0 306.705 3.515 50 5 DHBARN O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)c2cc3c(cc2N1)CCC3 ZINC000000427630 563611429 /nfs/dbraw/zinc/61/14/29/563611429.db2.gz DGYMBYOKBOOCNI-OAHLLOKOSA-N 0 0 308.337 3.558 50 5 DHBARN Cc1cc(C)cc(NCc2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000000437528 563614082 /nfs/dbraw/zinc/61/40/82/563614082.db2.gz HKFOBKHXPHNEOD-UHFFFAOYSA-N 0 0 300.314 3.552 50 5 DHBARN CC(C)COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000000447663 563614463 /nfs/dbraw/zinc/61/44/63/563614463.db2.gz FLIBBDYJNLJNBX-UHFFFAOYSA-N 0 0 314.341 3.882 50 5 DHBARN CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000449443 563614976 /nfs/dbraw/zinc/61/49/76/563614976.db2.gz GSRKUHONOLYWBW-QGZVFWFLSA-N 0 0 323.352 3.683 50 5 DHBARN Cc1c(NC(=O)Cc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000000457268 563615626 /nfs/dbraw/zinc/61/56/26/563615626.db2.gz CWLRIFUBURMJBM-UHFFFAOYSA-N 0 0 304.733 3.738 50 5 DHBARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000475519 563624270 /nfs/dbraw/zinc/62/42/70/563624270.db2.gz PXWYUIWAGWVOCG-LLVKDONJSA-N 0 0 314.316 3.715 50 5 DHBARN O=[N+]([O-])c1ccc(F)c(NC(=S)Nc2ccc(F)cc2)c1 ZINC000000485168 563636923 /nfs/dbraw/zinc/63/69/23/563636923.db2.gz QZFQXEOKBLLOLS-UHFFFAOYSA-N 0 0 309.297 3.682 50 5 DHBARN Cc1ccccc1-c1nc(-c2cccc([N+](=O)[O-])c2)cc(=O)o1 ZINC000000509919 563658881 /nfs/dbraw/zinc/65/88/81/563658881.db2.gz KCWVQKNDPUTKDU-UHFFFAOYSA-N 0 0 308.293 3.585 50 5 DHBARN O=C(c1ccc([N+](=O)[O-])s1)N1CCC(c2ccccc2)CC1 ZINC000073835286 563810929 /nfs/dbraw/zinc/81/09/29/563810929.db2.gz NJXLGDMGTCLNFJ-UHFFFAOYSA-N 0 0 316.382 3.676 50 5 DHBARN C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc2ccccc2c1 ZINC000012772127 563828095 /nfs/dbraw/zinc/82/80/95/563828095.db2.gz UXWURDQXAXVOJK-NSHDSACASA-N 0 0 309.325 3.567 50 5 DHBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)c1ncnc2sccc21 ZINC000012932800 563855842 /nfs/dbraw/zinc/85/58/42/563855842.db2.gz BHVFDOATWWGMIP-JTQLQIEISA-N 0 0 314.370 3.797 50 5 DHBARN COc1c(NC(=O)Nc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000001732589 563870508 /nfs/dbraw/zinc/87/05/08/563870508.db2.gz BJHAGJXBTBIBSU-UHFFFAOYSA-N 0 0 321.720 3.901 50 5 DHBARN CCc1ccc(N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000007240424 563904879 /nfs/dbraw/zinc/90/48/79/563904879.db2.gz LRRRIMKYQQOXSJ-LBPRGKRZSA-N 0 0 313.357 3.596 50 5 DHBARN O=C(OCC1OCCO1)c1c2ccccc2cc2ccccc21 ZINC000170616641 563908475 /nfs/dbraw/zinc/90/84/75/563908475.db2.gz KTHCKQMZLUIUGN-UHFFFAOYSA-N 0 0 308.333 3.523 50 5 DHBARN O=[N+]([O-])c1ccc(N[C@H](CCO)c2ccccc2)c2ccncc21 ZINC000076019694 563911615 /nfs/dbraw/zinc/91/16/15/563911615.db2.gz FQSMUWLMDGMGRK-MRXNPFEDSA-N 0 0 323.352 3.679 50 5 DHBARN COCC[C@@H](Nc1ccc(C(C)=O)cc1[N+](=O)[O-])c1ccco1 ZINC000096002047 563934647 /nfs/dbraw/zinc/93/46/47/563934647.db2.gz XJRHNUYNNSKLLZ-CQSZACIVSA-N 0 0 318.329 3.580 50 5 DHBARN O=C(c1cscn1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000096412019 563936827 /nfs/dbraw/zinc/93/68/27/563936827.db2.gz MDLRCPRMTRTUSP-UHFFFAOYSA-N 0 0 317.370 3.641 50 5 DHBARN Cc1cc(NC(=O)N(C)[C@@H](C)c2cccnc2)ccc1[N+](=O)[O-] ZINC000097049341 563937549 /nfs/dbraw/zinc/93/75/49/563937549.db2.gz YHCKIPATBJSKKT-LBPRGKRZSA-N 0 0 314.345 3.523 50 5 DHBARN COc1ccccc1C(=O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000002619260 563939584 /nfs/dbraw/zinc/93/95/84/563939584.db2.gz IFLUVIAXPMYTGV-UHFFFAOYSA-N 0 0 321.716 3.519 50 5 DHBARN Cc1sc2ncnc(OCc3ccc([N+](=O)[O-])cc3)c2c1C ZINC000002618589 563939602 /nfs/dbraw/zinc/93/96/02/563939602.db2.gz YSOKRASZVHECKE-UHFFFAOYSA-N 0 0 315.354 3.795 50 5 DHBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1C[C@H]1c1ccccc1 ZINC000002736597 563940592 /nfs/dbraw/zinc/94/05/92/563940592.db2.gz BKRWITFCQFWHDZ-STQMWFEESA-N 0 0 316.744 3.990 50 5 DHBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1c(O)ccc2ccccc21 ZINC000003123110 563942319 /nfs/dbraw/zinc/94/23/19/563942319.db2.gz CUYSXRBZVPNZAD-UHFFFAOYSA-N 0 0 308.293 3.706 50 5 DHBARN COC(=O)c1ccc(NSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000003195100 563942812 /nfs/dbraw/zinc/94/28/12/563942812.db2.gz YNOFFYUALKLJOG-UHFFFAOYSA-N 0 0 304.327 3.501 50 5 DHBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000008079785 563946640 /nfs/dbraw/zinc/94/66/40/563946640.db2.gz VVDCEYYBVFISHD-UHFFFAOYSA-N 0 0 300.698 3.701 50 5 DHBARN O=[N+]([O-])c1c(Oc2ccc3c(c2)CCC3)nc2sccn21 ZINC000008777188 563950723 /nfs/dbraw/zinc/95/07/23/563950723.db2.gz VUXNDNXFLAZZMW-UHFFFAOYSA-N 0 0 301.327 3.585 50 5 DHBARN O=c1ccc([N+](=O)[O-])cn1Cc1sc2ccccc2c1Cl ZINC000008937281 563951532 /nfs/dbraw/zinc/95/15/32/563951532.db2.gz JTQATTLFJXZXNP-UHFFFAOYSA-N 0 0 320.757 3.673 50 5 DHBARN CC(=O)Nc1ccc(C)cc1OCc1csc([N+](=O)[O-])c1 ZINC000069595500 563953769 /nfs/dbraw/zinc/95/37/69/563953769.db2.gz AAKSDWMPAUHUBB-UHFFFAOYSA-N 0 0 306.343 3.502 50 5 DHBARN Cc1ccc(/C=C/C(=O)OCc2csc([N+](=O)[O-])c2)s1 ZINC000050794669 1014593953 /nfs/dbraw/zinc/59/39/53/1014593953.db2.gz SKRYPIQKTNJHTH-SNAWJCMRSA-N 0 0 309.368 3.783 50 5 DHBARN Cc1cccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1 ZINC000000181085 1016786844 /nfs/dbraw/zinc/78/68/44/1016786844.db2.gz SZWJEMYDHYPFJM-UHFFFAOYSA-N 0 0 313.338 3.765 50 5 DHBARN O=[N+]([O-])c1cccc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000110454339 1032166933 /nfs/dbraw/zinc/16/69/33/1032166933.db2.gz ZKKRUQRUOWSAAQ-UHFFFAOYSA-N 0 0 321.270 3.562 50 5 DHBARN CC1(C)[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C)CC[C@H]1C2 ZINC000013464296 1021566705 /nfs/dbraw/zinc/56/67/05/1021566705.db2.gz XEVXXTKGYIQXJK-YLQAJVPDSA-N 0 0 302.374 3.539 50 5 DHBARN Cc1cccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000000584312 1022426758 /nfs/dbraw/zinc/42/67/58/1022426758.db2.gz SZAKBMZXKNHSFT-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN O=C(CCNc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000196225236 1023050457 /nfs/dbraw/zinc/05/04/57/1023050457.db2.gz RZKIUELKBIBQDD-UHFFFAOYSA-N 0 0 304.733 3.933 50 5 DHBARN C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccccc1Br ZINC000048976592 1023832734 /nfs/dbraw/zinc/83/27/34/1023832734.db2.gz KIIKCBZOLVYWPG-VIFPVBQESA-N 0 0 322.162 3.925 50 5 DHBARN CC1(C)CN(c2ncc([N+](=O)[O-])cc2Cl)[C@H]1c1cccnc1 ZINC000366110641 1025609655 /nfs/dbraw/zinc/60/96/55/1025609655.db2.gz JBZXDKFNIYBIEI-ZDUSSCGKSA-N 0 0 318.764 3.626 50 5 DHBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)CCC2 ZINC000006887113 1027560407 /nfs/dbraw/zinc/56/04/07/1027560407.db2.gz KMHPDQBLINCLJF-PKNBQFBNSA-N 0 0 308.337 3.735 50 5 DHBARN CC(=O)Nc1ccc(NCc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000083138944 185214031 /nfs/dbraw/zinc/21/40/31/185214031.db2.gz UTOXFVXBRXNMTF-UHFFFAOYSA-N 0 0 319.748 3.819 50 5 DHBARN O=[N+]([O-])c1c(N2CCCC[C@H]2c2ccco2)nc2sccn21 ZINC000095397845 185353179 /nfs/dbraw/zinc/35/31/79/185353179.db2.gz DSQGWOZSTJZWQX-JTQLQIEISA-N 0 0 318.358 3.629 50 5 DHBARN CCOCc1cccc(NCc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000095428997 185362698 /nfs/dbraw/zinc/36/26/98/185362698.db2.gz ZOEFYTOKMXQDOL-UHFFFAOYSA-N 0 0 316.357 3.752 50 5 DHBARN Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000095431744 185363397 /nfs/dbraw/zinc/36/33/97/185363397.db2.gz PGQZWMXXCVOWMC-UHFFFAOYSA-N 0 0 314.341 3.985 50 5 DHBARN O=[N+]([O-])c1ccc(N2CCC(F)(F)CC2)cc1Br ZINC000169725337 197747836 /nfs/dbraw/zinc/74/78/36/197747836.db2.gz BFZYEMYUAJBQAQ-UHFFFAOYSA-N 0 0 321.121 3.593 50 5 DHBARN Cc1occc1-c1nnc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000000031427 180671997 /nfs/dbraw/zinc/67/19/97/180671997.db2.gz UENMQZHIWLDHOB-UHFFFAOYSA-N 0 0 305.677 3.867 50 5 DHBARN Cc1sc2nc3c4ccccc4c(Cl)nn3c(=O)c2c1C ZINC000000087079 180688177 /nfs/dbraw/zinc/68/81/77/180688177.db2.gz VFFNLLXTKBUJGA-UHFFFAOYSA-N 0 0 315.785 3.728 50 5 DHBARN CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2ccccc2N)cc1 ZINC000000100730 180692329 /nfs/dbraw/zinc/69/23/29/180692329.db2.gz JVJNGDKJMXOFKW-MRXNPFEDSA-N 0 0 318.398 3.778 50 5 DHBARN COc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000103045 180693770 /nfs/dbraw/zinc/69/37/70/180693770.db2.gz UEXGGYVWPMRYSL-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN COC(=O)c1cccc(NSc2ccccc2[N+](=O)[O-])c1 ZINC000000138967 180705561 /nfs/dbraw/zinc/70/55/61/180705561.db2.gz LNTOEZQVDKIGAC-UHFFFAOYSA-N 0 0 304.327 3.501 50 5 DHBARN Cn1cnc([N+](=O)[O-])c1SCc1csc2ccccc12 ZINC000000147030 180708480 /nfs/dbraw/zinc/70/84/80/180708480.db2.gz AWMBILOWNJPWJL-UHFFFAOYSA-N 0 0 305.384 3.835 50 5 DHBARN COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000000436161 180790573 /nfs/dbraw/zinc/79/05/73/180790573.db2.gz DMDTZXOQBYBVPS-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN Cc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)s1 ZINC000001000001 180839868 /nfs/dbraw/zinc/83/98/68/180839868.db2.gz SHZRAYQCIPUTGZ-UHFFFAOYSA-N 0 0 319.367 3.827 50 5 DHBARN COc1cc(/C=C/[N+](=O)[O-])ccc1OCc1ccccc1F ZINC000001410989 180863121 /nfs/dbraw/zinc/86/31/21/180863121.db2.gz HCFPPNVCVBFSTO-CMDGGOBGSA-N 0 0 303.289 3.661 50 5 DHBARN COC(=O)c1ccc(CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001473437 180869405 /nfs/dbraw/zinc/86/94/05/180869405.db2.gz HIZDDJFJOVTYGV-UHFFFAOYSA-N 0 0 303.339 3.674 50 5 DHBARN CC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000002838978 180963005 /nfs/dbraw/zinc/96/30/05/180963005.db2.gz JEOLDRABNWYUQE-UHFFFAOYSA-N 0 0 306.705 3.999 50 5 DHBARN c1ccc(-c2nn3c(nc4nc5ccccc5nc43)s2)cc1 ZINC000003152526 180986655 /nfs/dbraw/zinc/98/66/55/180986655.db2.gz PHFZVCCLOIAVGM-UHFFFAOYSA-N 0 0 303.350 3.554 50 5 DHBARN C[C@H]1C[C@@H]1C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 ZINC000003286570 181000111 /nfs/dbraw/zinc/00/01/11/181000111.db2.gz DMSWOIBHKLUPSN-NHYWBVRUSA-N 0 0 308.333 3.645 50 5 DHBARN O=[N+]([O-])c1cc(CSc2ccccc2F)c2c(c1)COCO2 ZINC000003473246 181024114 /nfs/dbraw/zinc/02/41/14/181024114.db2.gz KZVDKUKEJOTLGS-UHFFFAOYSA-N 0 0 321.329 3.893 50 5 DHBARN CCCCC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000004031605 181065483 /nfs/dbraw/zinc/06/54/83/181065483.db2.gz ORKKSQCMKLFPJU-UHFFFAOYSA-N 0 0 305.359 3.847 50 5 DHBARN Cc1ccc(C)c(OCC(=O)Nc2ccccc2[N+](=O)[O-])c1C ZINC000004042996 181066507 /nfs/dbraw/zinc/06/65/07/181066507.db2.gz XKEXHYHBCOINTL-UHFFFAOYSA-N 0 0 314.341 3.538 50 5 DHBARN O=[N+]([O-])c1ccc(N2CCCC2)cc1Sc1ccccn1 ZINC000004107210 181074065 /nfs/dbraw/zinc/07/40/65/181074065.db2.gz LJXAZDVJGKYLLY-UHFFFAOYSA-N 0 0 301.371 3.741 50 5 DHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(Cl)s1 ZINC000004071187 181069867 /nfs/dbraw/zinc/06/98/67/181069867.db2.gz JMHAIMBKOCAFNJ-UHFFFAOYSA-N 0 0 312.734 3.571 50 5 DHBARN O=[N+]([O-])c1cnc(Nc2ccccc2)nc1Nc1ccccc1 ZINC000004117085 181075492 /nfs/dbraw/zinc/07/54/92/181075492.db2.gz YKPWNVMTPYXVRJ-UHFFFAOYSA-N 0 0 307.313 3.872 50 5 DHBARN COc1ccc(CCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000004544186 181122396 /nfs/dbraw/zinc/12/23/96/181122396.db2.gz DPNGLVGXAXIMAA-UHFFFAOYSA-N 0 0 314.341 3.565 50 5 DHBARN COc1ccc(NC(=O)C[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000004602615 181129216 /nfs/dbraw/zinc/12/92/16/181129216.db2.gz GKDLXKWDSQTDCQ-LBPRGKRZSA-N 0 0 314.341 3.736 50 5 DHBARN CCCCNC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000004660606 181133561 /nfs/dbraw/zinc/13/35/61/181133561.db2.gz RJNCPOQTTRNUJI-UHFFFAOYSA-N 0 0 319.405 3.505 50 5 DHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CCCc1ccccc1 ZINC000004755385 181149008 /nfs/dbraw/zinc/14/90/08/181149008.db2.gz AHANJPRSYJKUDI-UHFFFAOYSA-N 0 0 314.341 3.565 50 5 DHBARN O=[N+]([O-])c1ccc(C(O)(c2ccccc2)c2ccccc2)cc1 ZINC000004743711 181146222 /nfs/dbraw/zinc/14/62/22/181146222.db2.gz DCBNCNBHACYEPI-UHFFFAOYSA-N 0 0 305.333 3.879 50 5 DHBARN Cc1ccc(O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000004810958 181154697 /nfs/dbraw/zinc/15/46/97/181154697.db2.gz YFXJMEJIEHLLTR-CYBMUJFWSA-N 0 0 314.341 3.618 50 5 DHBARN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccccc1O ZINC000004865602 181165005 /nfs/dbraw/zinc/16/50/05/181165005.db2.gz RONSYAFZASVISE-UHFFFAOYSA-N 0 0 306.705 3.515 50 5 DHBARN CC(C)COc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000004906718 181171822 /nfs/dbraw/zinc/17/18/22/181171822.db2.gz IQBNMGPEEZVCGU-UHFFFAOYSA-N 0 0 314.341 3.882 50 5 DHBARN O=[N+]([O-])c1cccc(C(O)(c2ccccc2)c2ccccc2)c1 ZINC000004915848 181172386 /nfs/dbraw/zinc/17/23/86/181172386.db2.gz AXNDLYJGRMBDHU-UHFFFAOYSA-N 0 0 305.333 3.879 50 5 DHBARN Cc1cc(OCC(=O)Oc2ccccc2)c([N+](=O)[O-])cc1Cl ZINC000004952461 181178853 /nfs/dbraw/zinc/17/88/53/181178853.db2.gz KOBHDFPVICEFFA-UHFFFAOYSA-N 0 0 321.716 3.541 50 5 DHBARN COc1cc(SC)ccc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004978559 181183710 /nfs/dbraw/zinc/18/37/10/181183710.db2.gz CIBMWNRANDDVSX-UHFFFAOYSA-N 0 0 318.354 3.578 50 5 DHBARN CCOc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000004973919 181182364 /nfs/dbraw/zinc/18/23/64/181182364.db2.gz JQIRTYNTBCDJIW-UHFFFAOYSA-N 0 0 300.314 3.554 50 5 DHBARN COc1ccc(NC(=O)Nc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000005062964 181199013 /nfs/dbraw/zinc/19/90/13/181199013.db2.gz HUOAZLSYKXHBJS-UHFFFAOYSA-N 0 0 323.255 3.526 50 5 DHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000005344266 181232464 /nfs/dbraw/zinc/23/24/64/181232464.db2.gz ZQSCAZHDTDRRBO-UHFFFAOYSA-N 0 0 321.130 3.610 50 5 DHBARN CCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000005467208 181246831 /nfs/dbraw/zinc/24/68/31/181246831.db2.gz BOEMCXVJJWHZSB-UHFFFAOYSA-N 0 0 300.314 3.554 50 5 DHBARN COc1ccc(C(=O)Nc2cccc(SC)c2)cc1[N+](=O)[O-] ZINC000005560271 181257415 /nfs/dbraw/zinc/25/74/15/181257415.db2.gz OWFHIGHDXKPJTM-UHFFFAOYSA-N 0 0 318.354 3.578 50 5 DHBARN O=C(Nc1nc(-c2ccco2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000005569077 181258419 /nfs/dbraw/zinc/25/84/19/181258419.db2.gz ZPXKFLFZHKGYBQ-UHFFFAOYSA-N 0 0 315.310 3.564 50 5 DHBARN C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)c1ccc2c(c1)CCC2 ZINC000005869524 181291786 /nfs/dbraw/zinc/29/17/86/181291786.db2.gz NVTJLAFOHXWWES-LBPRGKRZSA-N 0 0 311.337 3.734 50 5 DHBARN C[C@H](CCc1ccccc1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000005881267 181292635 /nfs/dbraw/zinc/29/26/35/181292635.db2.gz FHHUOSHVQPCJKV-ATGUSINASA-N 0 0 324.380 3.746 50 5 DHBARN O=[N+]([O-])c1ccc(NC(=S)NCc2ccccc2Cl)cc1 ZINC000006276746 181325750 /nfs/dbraw/zinc/32/57/50/181325750.db2.gz GFPSYJINFZDBPU-UHFFFAOYSA-N 0 0 321.789 3.735 50 5 DHBARN C[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1ccncc1 ZINC000193370903 201041482 /nfs/dbraw/zinc/04/14/82/201041482.db2.gz GOIMIKSPMFRGDQ-VIFPVBQESA-N 0 0 309.272 3.764 50 5 DHBARN CCCN(C(=O)c1ccc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000194133354 201184035 /nfs/dbraw/zinc/18/40/35/201184035.db2.gz CGHMTTOSVDZZMC-UHFFFAOYSA-N 0 0 319.748 3.700 50 5 DHBARN O=[N+]([O-])c1ccccc1CN1CCCC[C@@H]1c1nccs1 ZINC000195369572 201385520 /nfs/dbraw/zinc/38/55/20/201385520.db2.gz WXPVHELCIUVDPZ-CQSZACIVSA-N 0 0 303.387 3.779 50 5 DHBARN CCCCOCO[C@@H]1C/C(=C/c2ccc([N+](=O)[O-])cc2)CO1 ZINC000261492310 203073902 /nfs/dbraw/zinc/07/39/02/203073902.db2.gz SNIJPYCORVXKBK-IHWMJMDHSA-N 0 0 307.346 3.515 50 5 DHBARN O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1)OCc1ccccc1 ZINC000261494142 203074291 /nfs/dbraw/zinc/07/42/91/203074291.db2.gz QURUKQNWSNPMCT-UHFFFAOYSA-N 0 0 306.705 3.997 50 5 DHBARN Cc1cc(O[C@@H](C)C(=O)NC2CCCCCC2)ccc1[N+](=O)[O-] ZINC000008257103 181540711 /nfs/dbraw/zinc/54/07/11/181540711.db2.gz MYMCIDJMTMMPOC-ZDUSSCGKSA-N 0 0 320.389 3.510 50 5 DHBARN CCSc1ccc(CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000010252496 181662411 /nfs/dbraw/zinc/66/24/11/181662411.db2.gz KPLPMMDXFABRGI-UHFFFAOYSA-N 0 0 316.382 3.888 50 5 DHBARN C[C@@H]1CCC[C@@H](C)N1C(=S)Sc1ncccc1[N+](=O)[O-] ZINC000013575410 181864333 /nfs/dbraw/zinc/86/43/33/181864333.db2.gz FGGVYWNAQYEJBV-NXEZZACHSA-N 0 0 311.432 3.630 50 5 DHBARN Cc1nc2cc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2o1 ZINC000015577809 182007974 /nfs/dbraw/zinc/00/79/74/182007974.db2.gz APTIEPMQLPYRAN-UHFFFAOYSA-N 0 0 311.297 3.605 50 5 DHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cc(C)ccc1C ZINC000017053165 182071711 /nfs/dbraw/zinc/07/17/11/182071711.db2.gz YYQKLRHDTUBZBB-UHFFFAOYSA-N 0 0 315.329 3.864 50 5 DHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)SC1CCCC1 ZINC000024985761 182397415 /nfs/dbraw/zinc/39/74/15/182397415.db2.gz MHBXUBAAJJNQMU-JTQLQIEISA-N 0 0 324.402 3.606 50 5 DHBARN CC1CCC(N(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000024991889 182397594 /nfs/dbraw/zinc/39/75/94/182397594.db2.gz XREIJPLIYNOSND-UHFFFAOYSA-N 0 0 310.781 3.899 50 5 DHBARN Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000025293010 182407705 /nfs/dbraw/zinc/40/77/05/182407705.db2.gz JPNWTXLQMDILJC-UHFFFAOYSA-N 0 0 324.380 3.637 50 5 DHBARN CCc1ccc(NC(=O)CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000031483055 182614109 /nfs/dbraw/zinc/61/41/09/182614109.db2.gz KNAVUWBUUGAMHL-UHFFFAOYSA-N 0 0 314.341 3.565 50 5 DHBARN Cc1ccc2nc(/C=C\c3ccc([N+](=O)[O-])cc3)oc(=O)c2c1 ZINC000032169767 182636499 /nfs/dbraw/zinc/63/64/99/182636499.db2.gz OSEUZWLIUBWGDN-UITAMQMPSA-N 0 0 308.293 3.575 50 5 DHBARN O=C(/C=C\c1cccs1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000033449008 182711461 /nfs/dbraw/zinc/71/14/61/182711461.db2.gz ZRPGGCPXJFXSHZ-XQRVVYSFSA-N 0 0 308.746 3.962 50 5 DHBARN Cc1cc2cc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000040072694 183031286 /nfs/dbraw/zinc/03/12/86/183031286.db2.gz ASLCFRNHWMMGFB-UHFFFAOYSA-N 0 0 309.325 3.945 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)c1ccccc1 ZINC000040095702 183034344 /nfs/dbraw/zinc/03/43/44/183034344.db2.gz PQKJQDWTSKOBFG-CYBMUJFWSA-N 0 0 313.357 3.828 50 5 DHBARN Cc1c(NC(=O)NCc2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000040099087 183034658 /nfs/dbraw/zinc/03/46/58/183034658.db2.gz HPIVPKLJOBIGKR-UHFFFAOYSA-N 0 0 319.748 3.878 50 5 DHBARN Cc1c(NC(=O)NC[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000043347941 183356751 /nfs/dbraw/zinc/35/67/51/183356751.db2.gz SZMLQVQQTNLGSG-GFCCVEGCSA-N 0 0 313.357 3.828 50 5 DHBARN O=C(Oc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000000059858 331458857 /nfs/dbraw/zinc/45/88/57/331458857.db2.gz MWZLYKLATPPFHT-UHFFFAOYSA-N 0 0 322.114 3.577 50 5 DHBARN COc1ccccc1OCCCCOc1ccccc1[N+](=O)[O-] ZINC000002906306 563355109 /nfs/dbraw/zinc/35/51/09/563355109.db2.gz GDUVLBHVQKOITA-UHFFFAOYSA-N 0 0 317.341 3.841 50 5 DHBARN C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000032841236 563401800 /nfs/dbraw/zinc/40/18/00/563401800.db2.gz SHQBQKCVAUCDRH-NSHDSACASA-N 0 0 317.320 3.959 50 5 DHBARN O=[N+]([O-])c1ccc(N2CCC[C@H](c3nc4ccccc4o3)C2)nc1 ZINC000032923589 563412759 /nfs/dbraw/zinc/41/27/59/563412759.db2.gz JPHYLFGVJSNBOF-LBPRGKRZSA-N 0 0 324.340 3.515 50 5 DHBARN O=C(Oc1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] ZINC000000038588 563505650 /nfs/dbraw/zinc/50/56/50/563505650.db2.gz WOYMKBFHKCJTIN-UHFFFAOYSA-N 0 0 322.114 3.577 50 5 DHBARN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000000102116 563543504 /nfs/dbraw/zinc/54/35/04/563543504.db2.gz XZUZYWXFHNWBJT-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN COc1ccc([N+](=O)[O-])c(C[C@@H]2c3ccccc3C=CN2C)c1 ZINC000071775034 563557746 /nfs/dbraw/zinc/55/77/46/563557746.db2.gz PONWIMNTPYOGAF-GOSISDBHSA-N 0 0 310.353 3.803 50 5 DHBARN COc1cccc2c(Nc3cccc([N+](=O)[O-])c3)cc(C)nc12 ZINC000000142064 563572689 /nfs/dbraw/zinc/57/26/89/563572689.db2.gz ZPIHCZCRQHHROA-UHFFFAOYSA-N 0 0 309.325 3.626 50 5 DHBARN Cc1nc(NC(=O)c2ccccc2[N+](=O)[O-])sc1C(C)(C)C ZINC000000241324 563581254 /nfs/dbraw/zinc/58/12/54/563581254.db2.gz JLDZCJMMTANNEW-UHFFFAOYSA-N 0 0 319.386 3.910 50 5 DHBARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000000258891 563582396 /nfs/dbraw/zinc/58/23/96/563582396.db2.gz RBSRVSPQBYSSNA-UHFFFAOYSA-N 0 0 310.231 3.866 50 5 DHBARN O=C(Nc1cccnc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000000262309 563583766 /nfs/dbraw/zinc/58/37/66/563583766.db2.gz SMYJGEILXVHRBD-UHFFFAOYSA-N 0 0 309.281 3.502 50 5 DHBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cl ZINC000000290696 563584576 /nfs/dbraw/zinc/58/45/76/563584576.db2.gz VTQCGUGRWZRRQX-JXMROGBWSA-N 0 0 302.717 3.900 50 5 DHBARN Cc1cc(C(=O)Nc2ccc3ncccc3c2)ccc1[N+](=O)[O-] ZINC000000325628 563588111 /nfs/dbraw/zinc/58/81/11/563588111.db2.gz QBPHPYKOGNJDMJ-UHFFFAOYSA-N 0 0 307.309 3.704 50 5 DHBARN CCOc1cccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000000371525 563591280 /nfs/dbraw/zinc/59/12/80/563591280.db2.gz ZWQFBRPDEMOSAY-UHFFFAOYSA-N 0 0 320.732 3.899 50 5 DHBARN CNc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000004902964 563592903 /nfs/dbraw/zinc/59/29/03/563592903.db2.gz MLDNIYMIYPTMMW-UHFFFAOYSA-N 0 0 323.711 3.681 50 5 DHBARN Cc1cccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)c1 ZINC000000426925 563612907 /nfs/dbraw/zinc/61/29/07/563612907.db2.gz PVAUELMVDGUCOM-UHFFFAOYSA-N 0 0 313.356 3.813 50 5 DHBARN COc1ccc(Cl)cc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000000444121 563614991 /nfs/dbraw/zinc/61/49/91/563614991.db2.gz HBBGCMJHHNPYRL-UHFFFAOYSA-N 0 0 324.695 3.648 50 5 DHBARN C[C@@H]1CC[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005446611 563622274 /nfs/dbraw/zinc/62/22/74/563622274.db2.gz MOMLIPCTFFGVNI-WWGRRREGSA-N 0 0 302.374 3.778 50 5 DHBARN COc1ccc(C)cc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000000473679 563624228 /nfs/dbraw/zinc/62/42/28/563624228.db2.gz YXLQBLMDZVNSOA-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN O=[N+]([O-])c1cccnc1Sc1ccc(Br)cc1 ZINC000000480505 563636925 /nfs/dbraw/zinc/63/69/25/563636925.db2.gz ALXMJLHAUALJAS-UHFFFAOYSA-N 0 0 311.160 3.904 50 5 DHBARN C[C@@H]1CCC[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000104272570 563672860 /nfs/dbraw/zinc/67/28/60/563672860.db2.gz KOFNBXFPVFPOHV-SUNKGSAMSA-N 0 0 307.419 3.706 50 5 DHBARN COc1nc2ccccc2nc1/C=C\c1cccc([N+](=O)[O-])c1 ZINC000210979714 563783471 /nfs/dbraw/zinc/78/34/71/563783471.db2.gz DMUQJZOHZLPEFU-KTKRTIGZSA-N 0 0 307.309 3.717 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OC(C)C)cc1 ZINC000001050909 563787584 /nfs/dbraw/zinc/78/75/84/563787584.db2.gz HHZLBHATHSPQCW-UHFFFAOYSA-N 0 0 314.341 3.943 50 5 DHBARN C[C@H](Nc1ncnc2sccc21)c1cccc([N+](=O)[O-])c1 ZINC000052451998 563788210 /nfs/dbraw/zinc/78/82/10/563788210.db2.gz UUVVBMLAGLGOPO-VIFPVBQESA-N 0 0 300.343 3.773 50 5 DHBARN O=C(OCc1ccccc1F)c1ccc([N+](=O)[O-])cc1Cl ZINC000001074240 563788340 /nfs/dbraw/zinc/78/83/40/563788340.db2.gz QYPFVINFUWPPFP-UHFFFAOYSA-N 0 0 309.680 3.744 50 5 DHBARN O=C(NCc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000012623666 563807457 /nfs/dbraw/zinc/80/74/57/563807457.db2.gz VWCIWXFJJAIGNT-UHFFFAOYSA-N 0 0 324.258 3.544 50 5 DHBARN CC(C)(C)c1csc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000036112498 563894442 /nfs/dbraw/zinc/89/44/42/563894442.db2.gz NKPZRAMLUPKVPJ-UHFFFAOYSA-N 0 0 319.386 3.530 50 5 DHBARN O=[N+]([O-])c1ccc(CSCc2cccc([N+](=O)[O-])c2)cc1 ZINC000009882227 563909042 /nfs/dbraw/zinc/90/90/42/563909042.db2.gz JPHAJCFOIFZNGN-UHFFFAOYSA-N 0 0 304.327 3.936 50 5 DHBARN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000007924498 563921210 /nfs/dbraw/zinc/92/12/10/563921210.db2.gz PRLBOTNJFRKUQV-INIZCTEOSA-N 0 0 316.332 3.861 50 5 DHBARN Cc1ccc(F)c(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000079093620 563930336 /nfs/dbraw/zinc/93/03/36/563930336.db2.gz ZEVJYTFJFMWOBA-UHFFFAOYSA-N 0 0 322.723 3.626 50 5 DHBARN O=C(c1ccc(Br)s1)c1ccc([N+](=O)[O-])cc1 ZINC000002514082 563938349 /nfs/dbraw/zinc/93/83/49/563938349.db2.gz LHVCLCGDOGUBPC-UHFFFAOYSA-N 0 0 312.144 3.650 50 5 DHBARN CCOc1ccccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000002802013 563940870 /nfs/dbraw/zinc/94/08/70/563940870.db2.gz YSHCIOPMFJYFEF-UHFFFAOYSA-N 0 0 320.732 3.899 50 5 DHBARN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000030316350 563942816 /nfs/dbraw/zinc/94/28/16/563942816.db2.gz VGLVZGAEUHYEPH-SECBINFHSA-N 0 0 308.721 3.674 50 5 DHBARN Cc1cc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000008161455 563947023 /nfs/dbraw/zinc/94/70/23/563947023.db2.gz GHVXWUMOWITNQR-HIFRSBDPSA-N 0 0 302.374 3.556 50 5 DHBARN Nc1ccc(C(c2ccccc2)(c2ccccc2)[N+](=O)[O-])cc1 ZINC000008385336 563948261 /nfs/dbraw/zinc/94/82/61/563948261.db2.gz CIAUEPHUNRIOOS-UHFFFAOYSA-N 0 0 304.349 3.837 50 5 DHBARN O=C(Nc1ncccc1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000069388727 563952648 /nfs/dbraw/zinc/95/26/48/563952648.db2.gz AKTACFAOOMEPAK-UHFFFAOYSA-N 0 0 312.112 3.549 50 5 DHBARN CC[C@](C)(NCc1cccc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000174502350 563957635 /nfs/dbraw/zinc/95/76/35/563957635.db2.gz QIXDKOIXSQTRSD-HNNXBMFYSA-N 0 0 305.403 3.775 50 5 DHBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)C1CC1 ZINC000098004409 1015259283 /nfs/dbraw/zinc/25/92/83/1015259283.db2.gz JNLNSHBSQQYGRF-XFXZXTDPSA-N 0 0 322.364 3.799 50 5 DHBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc2ccccc2c1 ZINC000000461929 1019922175 /nfs/dbraw/zinc/92/21/75/1019922175.db2.gz FTBFTWJMQQTCQO-UHFFFAOYSA-N 0 0 306.321 3.929 50 5 DHBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1F ZINC000000464310 1019925309 /nfs/dbraw/zinc/92/53/09/1019925309.db2.gz FYIHHGVFMCTSSX-VMPITWQZSA-N 0 0 304.252 3.525 50 5 DHBARN Cc1nn(C)c(C)c1/C=C\c1ccc2cccc([N+](=O)[O-])c2n1 ZINC000033466655 1021439379 /nfs/dbraw/zinc/43/93/79/1021439379.db2.gz POIXMPCOWKKWDZ-KTKRTIGZSA-N 0 0 308.341 3.664 50 5 DHBARN COc1ccc(C)cc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000033581646 1021585118 /nfs/dbraw/zinc/58/51/18/1021585118.db2.gz LLRGJBDTQOUEJJ-POHAHGRESA-N 0 0 312.325 3.564 50 5 DHBARN CCN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1 ZINC000047611825 1023360614 /nfs/dbraw/zinc/36/06/14/1023360614.db2.gz WELVSKNHAPANFA-UHFFFAOYSA-N 0 0 317.320 3.788 50 5 DHBARN O=C(Sc1nc2ccccc2o1)c1cccc([N+](=O)[O-])c1 ZINC000028294277 1023744633 /nfs/dbraw/zinc/74/46/33/1023744633.db2.gz RPFZNGCPYDQOMA-UHFFFAOYSA-N 0 0 300.295 3.669 50 5 DHBARN CC1(C)CN(c2ncc([N+](=O)[O-])cc2Cl)[C@@H]1c1cccnc1 ZINC000366110639 1025609346 /nfs/dbraw/zinc/60/93/46/1025609346.db2.gz JBZXDKFNIYBIEI-CYBMUJFWSA-N 0 0 318.764 3.626 50 5 DHBARN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1)NC1CC1 ZINC000078272646 1029329781 /nfs/dbraw/zinc/32/97/81/1029329781.db2.gz IWSFWGYJSBDBBJ-CSKARUKUSA-N 0 0 314.366 3.615 50 5 DHBARN COc1cc([N+](=O)[O-])ccc1NSc1ccccc1[N+](=O)[O-] ZINC000005446489 190621341 /nfs/dbraw/zinc/62/13/41/190621341.db2.gz IPOKRTMCEOHYLM-UHFFFAOYSA-N 0 0 321.314 3.631 50 5 DHBARN Cc1cc(CNC(=O)Nc2ccc([N+](=O)[O-])c(F)c2)ccc1F ZINC000095446361 185367670 /nfs/dbraw/zinc/36/76/70/185367670.db2.gz DSZVOSGJKOMKSE-UHFFFAOYSA-N 0 0 321.283 3.503 50 5 DHBARN C[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000095458021 185370357 /nfs/dbraw/zinc/37/03/57/185370357.db2.gz BKZCACHWVNADIW-VHSXEESVSA-N 0 0 318.295 3.841 50 5 DHBARN Cc1ccc(CNc2ncnc3cccc([N+](=O)[O-])c32)cc1F ZINC000095468689 185372440 /nfs/dbraw/zinc/37/24/40/185372440.db2.gz CCTXNMBFWOELMO-UHFFFAOYSA-N 0 0 312.304 3.598 50 5 DHBARN O=[N+]([O-])c1ccc(N2CCCC(F)(F)C2)c(Br)c1 ZINC000169725377 197748464 /nfs/dbraw/zinc/74/84/64/197748464.db2.gz CLECJLVQPYVGKX-UHFFFAOYSA-N 0 0 321.121 3.593 50 5 DHBARN O=[N+]([O-])c1ccccc1NCc1nc(-c2cccs2)c[nH]1 ZINC000170619609 197793645 /nfs/dbraw/zinc/79/36/45/197793645.db2.gz NRSYCFPMOOLTLR-UHFFFAOYSA-N 0 0 300.343 3.659 50 5 DHBARN O=c1oc2ccccc2c(Oc2cccc(F)c2)c1[N+](=O)[O-] ZINC000000041614 180675443 /nfs/dbraw/zinc/67/54/43/180675443.db2.gz ARVNXRNKJTVUOM-UHFFFAOYSA-N 0 0 301.229 3.633 50 5 DHBARN O=C(Nc1ccc(Cl)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000000114339 180696917 /nfs/dbraw/zinc/69/69/17/180696917.db2.gz HAAKGZGPTZACGX-UHFFFAOYSA-N 0 0 315.716 3.982 50 5 DHBARN CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000272164 180744246 /nfs/dbraw/zinc/74/42/46/180744246.db2.gz TZWSHWFJNRVLJU-UHFFFAOYSA-N 0 0 304.733 3.520 50 5 DHBARN CCC(=O)c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000000303327 180752929 /nfs/dbraw/zinc/75/29/29/180752929.db2.gz IIZVJWVCBJLBFN-UHFFFAOYSA-N 0 0 313.309 3.715 50 5 DHBARN O=C(/C=C/c1ccc(F)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000000442293 180791746 /nfs/dbraw/zinc/79/17/46/180791746.db2.gz RNJPIDSTYNLEBN-FPYGCLRLSA-N 0 0 304.252 3.525 50 5 DHBARN Cc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000000449259 180794631 /nfs/dbraw/zinc/79/46/31/180794631.db2.gz CJBXPBYCXIIMMM-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN CCCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002030963 180906742 /nfs/dbraw/zinc/90/67/42/180906742.db2.gz UOLWVWOJVKUNQC-UHFFFAOYSA-N 0 0 300.314 3.636 50 5 DHBARN Cc1ccc(NCCC(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000002519806 180931343 /nfs/dbraw/zinc/93/13/43/180931343.db2.gz OXZXQCRPYQTGRR-UHFFFAOYSA-N 0 0 302.305 3.727 50 5 DHBARN CCOc1ccccc1OCCCOc1ccccc1[N+](=O)[O-] ZINC000002985683 180974387 /nfs/dbraw/zinc/97/43/87/180974387.db2.gz IPHVBTWBUZUQOE-UHFFFAOYSA-N 0 0 317.341 3.841 50 5 DHBARN O=C(CCc1c[nH]c2ccccc12)Nc1cccc([N+](=O)[O-])c1 ZINC000003325761 181005244 /nfs/dbraw/zinc/00/52/44/181005244.db2.gz FGPFZLIDMXOVRI-UHFFFAOYSA-N 0 0 309.325 3.647 50 5 DHBARN COc1cc(Cl)c(C)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000003551930 181033586 /nfs/dbraw/zinc/03/35/86/181033586.db2.gz KTDSEGWPIWPWJV-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN COc1ccc(C)cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000003567219 181035666 /nfs/dbraw/zinc/03/56/66/181035666.db2.gz LLRGJBDTQOUEJJ-UXBLZVDNSA-N 0 0 312.325 3.564 50 5 DHBARN O=C(CSc1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000003598242 181038392 /nfs/dbraw/zinc/03/83/92/181038392.db2.gz GCJRGERLSMHJCY-UHFFFAOYSA-N 0 0 324.308 3.604 50 5 DHBARN COc1ccc(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])cc1 ZINC000003879008 181051366 /nfs/dbraw/zinc/05/13/66/181051366.db2.gz CLUXLTSHVTWONO-UHFFFAOYSA-N 0 0 320.692 3.537 50 5 DHBARN CCOc1ccccc1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004036962 181066223 /nfs/dbraw/zinc/06/62/23/181066223.db2.gz ZEICVHOKIUONPA-UHFFFAOYSA-N 0 0 320.732 3.899 50 5 DHBARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1Cl ZINC000004014331 181061909 /nfs/dbraw/zinc/06/19/09/181061909.db2.gz ADHLWMAPUQEFIN-UHFFFAOYSA-N 0 0 319.748 3.567 50 5 DHBARN CC(C)=Cc1oc2ccc([N+](=O)[O-])cc2c1N1CCOCC1 ZINC000004104361 181073220 /nfs/dbraw/zinc/07/32/20/181073220.db2.gz DWPKQAVSBMFDJS-UHFFFAOYSA-N 0 0 302.330 3.601 50 5 DHBARN O=[N+]([O-])c1ccc2ncnc(Nc3ccc(F)cc3F)c2c1 ZINC000004118678 181076021 /nfs/dbraw/zinc/07/60/21/181076021.db2.gz HAYJMHDTTNOVHD-UHFFFAOYSA-N 0 0 302.240 3.560 50 5 DHBARN CC1=C(C)[C@@H](Nc2cccc([N+](=O)[O-])c2)N(CCC(C)C)C1=O ZINC000004561898 181124645 /nfs/dbraw/zinc/12/46/45/181124645.db2.gz CLYXXHLUDRDFPO-INIZCTEOSA-N 0 0 317.389 3.558 50 5 DHBARN O=C(Nc1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000004546857 181123314 /nfs/dbraw/zinc/12/33/14/181123314.db2.gz AAZRMKQIFVMZEQ-UHFFFAOYSA-N 0 0 321.130 3.610 50 5 DHBARN CC[C@H](C)NC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000004660703 181133658 /nfs/dbraw/zinc/13/36/58/181133658.db2.gz BQNRRPUMHAQWDJ-ZDUSSCGKSA-N 0 0 319.405 3.504 50 5 DHBARN Cc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)cccc1[N+](=O)[O-] ZINC000004677158 181135192 /nfs/dbraw/zinc/13/51/92/181135192.db2.gz MQDHWQFXOVINAC-UHFFFAOYSA-N 0 0 314.385 3.602 50 5 DHBARN Cc1ccc(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000004680018 181135748 /nfs/dbraw/zinc/13/57/48/181135748.db2.gz AUMPEKIGCZEIRW-UHFFFAOYSA-N 0 0 304.733 3.738 50 5 DHBARN CCCc1cc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cs1 ZINC000004749291 181147561 /nfs/dbraw/zinc/14/75/61/181147561.db2.gz REVWSHNXSKVINA-UHFFFAOYSA-N 0 0 320.370 3.870 50 5 DHBARN Cc1nc(Cl)c(C(=O)N(C)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000004754014 181148477 /nfs/dbraw/zinc/14/84/77/181148477.db2.gz HHJWLOUSGIBUJB-UHFFFAOYSA-N 0 0 319.748 3.537 50 5 DHBARN COc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000004868837 181166476 /nfs/dbraw/zinc/16/64/76/181166476.db2.gz XRCGIFBTFRTMRY-UHFFFAOYSA-N 0 0 314.341 3.979 50 5 DHBARN O=[N+]([O-])c1cccc(OCCOc2cccc3cccnc32)c1 ZINC000004870261 181167418 /nfs/dbraw/zinc/16/74/18/181167418.db2.gz HNXXMIZDEVDBAU-UHFFFAOYSA-N 0 0 310.309 3.601 50 5 DHBARN Cc1ccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000005006433 181188914 /nfs/dbraw/zinc/18/89/14/181188914.db2.gz XYXHNETVRFZTCT-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000005009740 181190191 /nfs/dbraw/zinc/19/01/91/181190191.db2.gz YUBPICZDBQJRIU-SNVBAGLBSA-N 0 0 320.732 3.654 50 5 DHBARN Cc1ccc(NC(=O)Nc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000005041406 181195482 /nfs/dbraw/zinc/19/54/82/181195482.db2.gz MVGPDBWWEKMYGQ-UHFFFAOYSA-N 0 0 307.256 3.825 50 5 DHBARN O=C(CSc1ccsc1[N+](=O)[O-])Nc1cccc(F)c1 ZINC000005136325 181208230 /nfs/dbraw/zinc/20/82/30/181208230.db2.gz DWNVBBROXPNEEY-UHFFFAOYSA-N 0 0 312.347 3.526 50 5 DHBARN O=C(Nc1cccnc1Cl)c1ccc([N+](=O)[O-])cc1Cl ZINC000005568384 181258505 /nfs/dbraw/zinc/25/85/05/181258505.db2.gz UVLGWUPDWDSSSU-UHFFFAOYSA-N 0 0 312.112 3.549 50 5 DHBARN Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2n1 ZINC000005923821 181296595 /nfs/dbraw/zinc/29/65/95/181296595.db2.gz DYAVRRPUKRIYAY-UHFFFAOYSA-N 0 0 307.309 3.704 50 5 DHBARN CC(C)(C)c1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)on1 ZINC000005937361 181298446 /nfs/dbraw/zinc/29/84/46/181298446.db2.gz MXIDMFGNTQKPAU-UHFFFAOYSA-N 0 0 323.736 3.786 50 5 DHBARN COc1ccc(/C=C\C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000006054633 181308493 /nfs/dbraw/zinc/30/84/93/181308493.db2.gz DEGJXPWYAZAJST-POHAHGRESA-N 0 0 312.325 3.564 50 5 DHBARN O=C(OCc1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1O ZINC000006121329 181314166 /nfs/dbraw/zinc/31/41/66/181314166.db2.gz WYVWKPFSIGYUIS-UHFFFAOYSA-N 0 0 323.304 3.811 50 5 DHBARN O=C(CSc1ccc([N+](=O)[O-])cc1)NC1CCCCCC1 ZINC000006790279 181389262 /nfs/dbraw/zinc/38/92/62/181389262.db2.gz WAZZLLINNYVMHG-UHFFFAOYSA-N 0 0 308.403 3.526 50 5 DHBARN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC000007399979 181461532 /nfs/dbraw/zinc/46/15/32/181461532.db2.gz IQGYVJNSOCTIKO-NSHDSACASA-N 0 0 302.355 3.714 50 5 DHBARN CCCNc1c2ccccc2n(-c2ccccc2)c(=O)c1[N+](=O)[O-] ZINC000009328423 181614552 /nfs/dbraw/zinc/61/45/52/181614552.db2.gz QSADEFVELLSTDB-UHFFFAOYSA-N 0 0 323.352 3.721 50 5 DHBARN C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000012926534 181812072 /nfs/dbraw/zinc/81/20/72/181812072.db2.gz FPKINHCKGIYMHK-LLVKDONJSA-N 0 0 318.760 3.668 50 5 DHBARN Cc1c(NC(=O)N2CCC[C@@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000015837951 182021188 /nfs/dbraw/zinc/02/11/88/182021188.db2.gz HXFQAIJQQNSWFV-CQSZACIVSA-N 0 0 315.329 3.865 50 5 DHBARN CCc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000017053131 182071326 /nfs/dbraw/zinc/07/13/26/182071326.db2.gz IKPHVNDYGTVIJJ-UHFFFAOYSA-N 0 0 315.329 3.810 50 5 DHBARN CCOc1ccccc1NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000017053135 182071467 /nfs/dbraw/zinc/07/14/67/182071467.db2.gz XPIYQRRLTQPFGL-UHFFFAOYSA-N 0 0 315.329 3.946 50 5 DHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1c(C)cccc1C ZINC000017053161 182071508 /nfs/dbraw/zinc/07/15/08/182071508.db2.gz STLHXAWNNQEELH-UHFFFAOYSA-N 0 0 315.329 3.864 50 5 DHBARN COc1ccc([N+](=O)[O-])cc1OCCOc1cc(C)cc(C)c1 ZINC000018438297 182102074 /nfs/dbraw/zinc/10/20/74/182102074.db2.gz NFQZFAMPMMLGBJ-UHFFFAOYSA-N 0 0 317.341 3.678 50 5 DHBARN Cc1ccccc1-c1noc(-c2ccc(N(C)C)c([N+](=O)[O-])c2)n1 ZINC000020897626 182252282 /nfs/dbraw/zinc/25/22/82/182252282.db2.gz FUWHNZVRODDXKF-UHFFFAOYSA-N 0 0 324.340 3.686 50 5 DHBARN O=[N+]([O-])c1ccc(Sc2ccc(Br)cc2)nc1 ZINC000022798551 182335051 /nfs/dbraw/zinc/33/50/51/182335051.db2.gz BBCHRABACZPRQP-UHFFFAOYSA-N 0 0 311.160 3.904 50 5 DHBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nc2ccccc2o1 ZINC000024862747 182393049 /nfs/dbraw/zinc/39/30/49/182393049.db2.gz PFOKFPCOBLGEMI-LBPRGKRZSA-N 0 0 311.341 3.929 50 5 DHBARN CN(Cn1ncc2cc([N+](=O)[O-])ccc21)[C@H]1CCc2ccccc21 ZINC000029301305 182559014 /nfs/dbraw/zinc/55/90/14/182559014.db2.gz AIMGIDUCFQYYGM-SFHVURJKSA-N 0 0 322.368 3.521 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1[C@@H]2CCCCC=C[C@H]21 ZINC000100107578 193794394 /nfs/dbraw/zinc/79/43/94/193794394.db2.gz VSOZXAHPNMJONZ-IIAWOOMASA-N 0 0 300.358 3.834 50 5 DHBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H]1CCCc2ccccc21 ZINC000033477539 182714235 /nfs/dbraw/zinc/71/42/35/182714235.db2.gz MDMFRPNFIXSSMB-GFBZKKKVSA-N 0 0 322.364 3.802 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1Cl ZINC000040095749 183034113 /nfs/dbraw/zinc/03/41/13/183034113.db2.gz WMZUSHLQWGJWLO-UHFFFAOYSA-N 0 0 319.748 3.878 50 5 DHBARN Cc1ccc([C@@H](C)NC(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000040099061 183034996 /nfs/dbraw/zinc/03/49/96/183034996.db2.gz NSTXGTGIFXWTSK-LLVKDONJSA-N 0 0 303.318 3.687 50 5 DHBARN O=C(/C=C/c1c(F)cccc1F)Nc1cccc([N+](=O)[O-])c1 ZINC000040106493 183035772 /nfs/dbraw/zinc/03/57/72/183035772.db2.gz LFXMJYCRSJGOHL-BQYQJAHWSA-N 0 0 304.252 3.525 50 5 DHBARN O=[N+]([O-])c1cccnc1Oc1ccccc1OCC(F)(F)F ZINC000057839580 184056635 /nfs/dbraw/zinc/05/66/35/184056635.db2.gz UUQJONKPCRRBSJ-UHFFFAOYSA-N 0 0 314.219 3.723 50 5 DHBARN O=[N+]([O-])c1c(Oc2ccc3ncccc3c2)nc2sccn21 ZINC000058412803 184114863 /nfs/dbraw/zinc/11/48/63/184114863.db2.gz CJLGRBYPJMBARG-UHFFFAOYSA-N 0 0 312.310 3.645 50 5 DHBARN O=[N+]([O-])c1cccnc1NCc1ccc(Oc2ccccc2)nc1 ZINC000060333605 184146149 /nfs/dbraw/zinc/14/61/49/184146149.db2.gz CRMHJSUXYIXAGJ-UHFFFAOYSA-N 0 0 322.324 3.789 50 5 DHBARN Cn1cc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cn1 ZINC000237698579 257238735 /nfs/dbraw/zinc/23/87/35/257238735.db2.gz DPGJCOAJFLYCSX-UHFFFAOYSA-N 0 0 314.370 3.669 50 5 DHBARN O=[N+]([O-])c1ccc([C@@H]2CN[C@H](c3ccccc3Cl)O2)cc1 ZINC000019805830 257268860 /nfs/dbraw/zinc/26/88/60/257268860.db2.gz HDEINWKFOMDNAV-GJZGRUSLSA-N 0 0 304.733 3.608 50 5 DHBARN CCC(CC)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000006821191 134478941 /nfs/dbraw/zinc/47/89/41/134478941.db2.gz YFICWGURCSBSRX-UHFFFAOYSA-N 0 0 319.405 3.504 50 5 DHBARN CCOc1ncccc1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000095420094 332170080 /nfs/dbraw/zinc/17/00/80/332170080.db2.gz AABNISZRXXHHHM-ZDUSSCGKSA-N 0 0 315.373 3.548 50 5 DHBARN COc1ccccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000288739 563584906 /nfs/dbraw/zinc/58/49/06/563584906.db2.gz TYAITIGIASDDEA-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN Nc1nc(-c2ccc(Cl)cc2)nc2c3ccccc3oc(=O)c12 ZINC000000108228 563218625 /nfs/dbraw/zinc/21/86/25/563218625.db2.gz AAGHYTBANACXDE-UHFFFAOYSA-N 0 0 323.739 3.639 50 5 DHBARN O=C1CCCC[C@H]1Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC000000407867 563252214 /nfs/dbraw/zinc/25/22/14/563252214.db2.gz AEZUAFZMLSMMJD-QGZVFWFLSA-N 0 0 308.333 3.837 50 5 DHBARN O=C1NC(=S)SC1=Cc1cc([N+](=O)[O-])ccc1Cl ZINC000002536918 563332667 /nfs/dbraw/zinc/33/26/67/563332667.db2.gz WPMKYQLVGMURCI-XBXARRHUSA-N 0 0 300.748 3.577 50 5 DHBARN COc1ccccc1OCCCCOc1ccc([N+](=O)[O-])cc1 ZINC000002906173 563355579 /nfs/dbraw/zinc/35/55/79/563355579.db2.gz OKEMONRDVGLHGS-UHFFFAOYSA-N 0 0 317.341 3.841 50 5 DHBARN COC(=O)c1cc(-c2cc(F)cc(Cl)c2)cc([N+](=O)[O-])c1 ZINC000097757350 563357499 /nfs/dbraw/zinc/35/74/99/563357499.db2.gz QNRWDUMBJLVORG-UHFFFAOYSA-N 0 0 309.680 3.841 50 5 DHBARN Cc1cccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000032902467 563410036 /nfs/dbraw/zinc/41/00/36/563410036.db2.gz WNFDDYQURWRSDJ-ZFWWWQNUSA-N 0 0 302.374 3.698 50 5 DHBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCCSCC1 ZINC000032935564 563414601 /nfs/dbraw/zinc/41/46/01/563414601.db2.gz BRVZBUIHIAAHFW-UHFFFAOYSA-N 0 0 306.309 3.557 50 5 DHBARN COc1ccc([N+](=O)[O-])cc1NCc1ncc(C(C)(C)C)o1 ZINC000096450118 563483157 /nfs/dbraw/zinc/48/31/57/563483157.db2.gz AGCFDYJLHYOIIF-UHFFFAOYSA-N 0 0 305.334 3.501 50 5 DHBARN CC(C)c1nc2cc(NC(=O)c3ccc([N+](=O)[O-])o3)ccc2o1 ZINC000033216345 563501116 /nfs/dbraw/zinc/50/11/16/563501116.db2.gz STBQZSDLBCAGMA-UHFFFAOYSA-N 0 0 315.285 3.705 50 5 DHBARN COc1ccc(/C=C/C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000000094276 563527496 /nfs/dbraw/zinc/52/74/96/563527496.db2.gz DEGJXPWYAZAJST-UXBLZVDNSA-N 0 0 312.325 3.564 50 5 biogenic DHBARN CCOc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000102832 563543456 /nfs/dbraw/zinc/54/34/56/563543456.db2.gz VFBZCERTALUHAX-UHFFFAOYSA-N 0 0 320.732 3.899 50 5 DHBARN Cc1ccc(C)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1C ZINC000000144589 563572668 /nfs/dbraw/zinc/57/26/68/563572668.db2.gz KSAQJLZZYIXLGK-UHFFFAOYSA-N 0 0 314.341 3.538 50 5 DHBARN Cc1ccc(NC(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1Cl ZINC000000258377 563582877 /nfs/dbraw/zinc/58/28/77/563582877.db2.gz CEPACYWYOIJDQG-UHFFFAOYSA-N 0 0 308.696 3.948 50 5 DHBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2ccccc2c1 ZINC000000306075 563586752 /nfs/dbraw/zinc/58/67/52/563586752.db2.gz GKMAYGJHJFIZRT-UHFFFAOYSA-N 0 0 322.320 3.766 50 5 DHBARN CC(C)OC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000000303788 563586828 /nfs/dbraw/zinc/58/68/28/563586828.db2.gz QWOHRNYYOXFYSA-UHFFFAOYSA-N 0 0 323.292 3.657 50 5 DHBARN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000000311614 563587616 /nfs/dbraw/zinc/58/76/16/563587616.db2.gz MAICFWXWTGMWQH-UHFFFAOYSA-N 0 0 300.314 3.554 50 5 DHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCCc1ccccc1 ZINC000000319094 563587764 /nfs/dbraw/zinc/58/77/64/563587764.db2.gz SYEWSDYAZGMBCI-UHFFFAOYSA-N 0 0 314.341 3.565 50 5 DHBARN CCn1c2ccccc2c2nc3cc(OC)c(OC)cc3nc21 ZINC000000319243 563588353 /nfs/dbraw/zinc/58/83/53/563588353.db2.gz LDYFIFVFXZCNQE-UHFFFAOYSA-N 0 0 307.353 3.775 50 5 DHBARN Cc1cc(C)n(-c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)n1 ZINC000000352427 563590242 /nfs/dbraw/zinc/59/02/42/563590242.db2.gz WTWOYAJZTIOUSQ-UHFFFAOYSA-N 0 0 300.343 3.521 50 5 DHBARN O=C(CCc1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000000373390 563591203 /nfs/dbraw/zinc/59/12/03/563591203.db2.gz OFJDIZVROMHAGB-UHFFFAOYSA-N 0 0 304.733 3.820 50 5 DHBARN O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000044412196 563600967 /nfs/dbraw/zinc/60/09/67/563600967.db2.gz ZVDGIIRFVIDUPK-ZDUSSCGKSA-N 0 0 320.345 3.773 50 5 DHBARN CCC(=O)c1cccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000132036925 563606079 /nfs/dbraw/zinc/60/60/79/563606079.db2.gz BPISPGFGYZBJKT-UHFFFAOYSA-N 0 0 316.288 3.579 50 5 DHBARN O=C1c2cccc3cc([N+](=O)[O-])cc(c32)C(=O)N1c1ccccc1 ZINC000000437972 563613675 /nfs/dbraw/zinc/61/36/75/563613675.db2.gz YPHKEMZEYMQDDR-UHFFFAOYSA-N 0 0 318.288 3.549 50 5 DHBARN Cc1cc(C)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000000446438 563614652 /nfs/dbraw/zinc/61/46/52/563614652.db2.gz PYHQNAYHZIZPES-UHFFFAOYSA-N 0 0 314.341 3.538 50 5 DHBARN C[C@H](C(=O)NCCC1=CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000000472128 563624696 /nfs/dbraw/zinc/62/46/96/563624696.db2.gz YGMPHWPJWNDBBB-ZDUSSCGKSA-N 0 0 302.374 3.705 50 5 DHBARN Cc1cc2sc(NC(=O)c3ccc([N+](=O)[O-])o3)nc2c(C)c1 ZINC000000556105 563669421 /nfs/dbraw/zinc/66/94/21/563669421.db2.gz HDGDSXNJKJMZOA-UHFFFAOYSA-N 0 0 317.326 3.667 50 5 DHBARN Cc1ccc(C(=O)Nc2cccc3cccnc32)cc1[N+](=O)[O-] ZINC000000556421 563670517 /nfs/dbraw/zinc/67/05/17/563670517.db2.gz WWDBVMUJQRGUQJ-UHFFFAOYSA-N 0 0 307.309 3.704 50 5 DHBARN Cc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])s3)sc2c1 ZINC000000567903 563671464 /nfs/dbraw/zinc/67/14/64/563671464.db2.gz LEMRQXQUXJROFZ-UHFFFAOYSA-N 0 0 319.367 3.827 50 5 DHBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1ccsc1 ZINC000048248639 563694177 /nfs/dbraw/zinc/69/41/77/563694177.db2.gz JVPCMWKQYSZJIZ-AWEZNQCLSA-N 0 0 316.382 3.563 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1c(F)cccc1Cl ZINC000000614954 563698957 /nfs/dbraw/zinc/69/89/57/563698957.db2.gz ZNJRPWNRXRSQPD-UHFFFAOYSA-N 0 0 322.723 3.877 50 5 DHBARN CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1nc2ccccc2[nH]1 ZINC000012525539 563797514 /nfs/dbraw/zinc/79/75/14/563797514.db2.gz LIFQWXYNQHWEGD-OAHLLOKOSA-N 0 0 311.345 3.675 50 5 DHBARN O=C(CCCNc1ccccc1[N+](=O)[O-])Nc1ccccc1F ZINC000012556222 563801264 /nfs/dbraw/zinc/80/12/64/563801264.db2.gz LDVUHHZJIUYNEE-UHFFFAOYSA-N 0 0 317.320 3.565 50 5 DHBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1cnns1 ZINC000001385808 563814529 /nfs/dbraw/zinc/81/45/29/563814529.db2.gz MAPGKNMCFBJSBF-UHFFFAOYSA-N 0 0 307.278 3.616 50 5 DHBARN Cc1nc(CNc2cc([N+](=O)[O-])ccc2OC(F)F)cs1 ZINC000086200095 563844701 /nfs/dbraw/zinc/84/47/01/563844701.db2.gz JXDYBNMNZNEQSB-UHFFFAOYSA-N 0 0 315.301 3.573 50 5 DHBARN CCOc1cccc2c1O[C@H](c1ccc(F)cc1)C([N+](=O)[O-])=C2 ZINC000000103623 563851132 /nfs/dbraw/zinc/85/11/32/563851132.db2.gz BFZXDHIUPNWOMT-MRXNPFEDSA-N 0 0 315.300 3.976 50 5 in-vitro DHBARN CC(=O)Nc1cc([N+](=O)[O-])cc(C)c1OCc1ccc(F)cc1 ZINC000575444390 563858230 /nfs/dbraw/zinc/85/82/30/563858230.db2.gz FQVIOAWJSSYYJW-UHFFFAOYSA-N 0 0 318.304 3.580 50 5 DHBARN COc1cccc([C@H](Nc2c([N+](=O)[O-])ncn2C)C(C)(C)C)c1 ZINC000075105796 563859901 /nfs/dbraw/zinc/85/99/01/563859901.db2.gz FGWGEFLWVGHGQG-ZDUSSCGKSA-N 0 0 318.377 3.536 50 5 DHBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccccc1F ZINC000007068010 563902124 /nfs/dbraw/zinc/90/21/24/563902124.db2.gz IDSJVYLTSKPILR-NSHDSACASA-N 0 0 302.305 3.567 50 5 DHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cc(F)ccc1F ZINC000002166279 563916679 /nfs/dbraw/zinc/91/66/79/563916679.db2.gz OWHYCMSYFQWXJZ-UHFFFAOYSA-N 0 0 323.255 3.526 50 5 DHBARN CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H]1c1cccs1 ZINC000195335503 563919219 /nfs/dbraw/zinc/91/92/19/563919219.db2.gz QNKGRPUPJCDVDT-NSHDSACASA-N 0 0 306.391 3.523 50 5 DHBARN CN(CC1CC1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000095356840 563931207 /nfs/dbraw/zinc/93/12/07/563931207.db2.gz PFAGXPRGUNARSV-UHFFFAOYSA-N 0 0 310.353 3.672 50 5 DHBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1C[C@@H]1c1ccccc1 ZINC000002736596 563940636 /nfs/dbraw/zinc/94/06/36/563940636.db2.gz BKRWITFCQFWHDZ-CHWSQXEVSA-N 0 0 316.744 3.990 50 5 DHBARN CC(C)(C)c1csc(NC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000003141499 563942276 /nfs/dbraw/zinc/94/22/76/563942276.db2.gz BENPQVXEWIEZLR-UHFFFAOYSA-N 0 0 305.359 3.601 50 5 DHBARN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000030316351 563942752 /nfs/dbraw/zinc/94/27/52/563942752.db2.gz VGLVZGAEUHYEPH-VIFPVBQESA-N 0 0 308.721 3.674 50 5 DHBARN O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1ccc(F)cc1F ZINC000003200406 563942846 /nfs/dbraw/zinc/94/28/46/563942846.db2.gz QOEVSZJFOZGOJZ-GORDUTHDSA-N 0 0 310.281 3.586 50 5 DHBARN Cc1cc(C)cc(NC(=O)CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000031482785 563944573 /nfs/dbraw/zinc/94/45/73/563944573.db2.gz PQMSYDZRDFMCBQ-UHFFFAOYSA-N 0 0 314.341 3.619 50 5 DHBARN O=[N+]([O-])c1ccc(N2CCCC2)cc1N1CCc2ccccc2C1 ZINC000004065370 563945194 /nfs/dbraw/zinc/94/51/94/563945194.db2.gz KMJDFSSKFXRUNC-UHFFFAOYSA-N 0 0 323.396 3.758 50 5 DHBARN CC(=O)Nc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000007982485 563945895 /nfs/dbraw/zinc/94/58/95/563945895.db2.gz IOKQIYUZNVSVNR-UHFFFAOYSA-N 0 0 306.705 3.999 50 5 DHBARN Cc1cc(C)nc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000008548823 563949034 /nfs/dbraw/zinc/94/90/34/563949034.db2.gz XGWYVACCJWSFSG-UHFFFAOYSA-N 0 0 305.721 3.512 50 5 DHBARN CCCNc1ccc(-c2nc(-c3ccco3)no2)cc1[N+](=O)[O-] ZINC000008586870 563949199 /nfs/dbraw/zinc/94/91/99/563949199.db2.gz LLJAQEWIGACYJD-UHFFFAOYSA-N 0 0 314.301 3.727 50 5 DHBARN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000078573410 563961190 /nfs/dbraw/zinc/96/11/90/563961190.db2.gz GLKPRRXQYMSHFU-ZBEGNZNMSA-N 0 0 313.313 3.700 50 5 DHBARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000180076 1016783665 /nfs/dbraw/zinc/78/36/65/1016783665.db2.gz AVWLSBMPINCXEE-MRXNPFEDSA-N 0 0 314.366 3.682 50 5 DHBARN CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC000027818632 1017901268 /nfs/dbraw/zinc/90/12/68/1017901268.db2.gz CSYIUSJZUXEWET-PEKVBPLLSA-N 0 0 322.364 3.754 50 5 DHBARN O=C(CSCc1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000000463335 1019923824 /nfs/dbraw/zinc/92/38/24/1019923824.db2.gz LNSAHZPQEBIKMS-UHFFFAOYSA-N 0 0 320.345 3.606 50 5 DHBARN Cc1ccc(Nc2c3ccccc3oc(=O)c2[N+](=O)[O-])c(C)c1 ZINC000102861200 1022010917 /nfs/dbraw/zinc/01/09/17/1022010917.db2.gz AJUHOGHXEYEXGN-OBGWFSINSA-N 0 0 310.309 3.896 50 5 DHBARN Cc1cc([C@H](C)Nc2nc3sccn3c2[N+](=O)[O-])c(C)o1 ZINC000044730832 1023507780 /nfs/dbraw/zinc/50/77/80/1023507780.db2.gz UESHHTVZYJHSJI-QMMMGPOBSA-N 0 0 306.347 3.687 50 5 DHBARN O=[N+]([O-])c1ccc(NCCOc2ccccc2)c2ccncc21 ZINC000015171388 1026330694 /nfs/dbraw/zinc/33/06/94/1026330694.db2.gz FXBVTZSVEFWJJA-UHFFFAOYSA-N 0 0 309.325 3.634 50 5 DHBARN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000252585139 1037835905 /nfs/dbraw/zinc/83/59/05/1037835905.db2.gz GLKPRRXQYMSHFU-BDJLRTHQSA-N 0 0 313.313 3.700 50 5 DHBARN O=[N+]([O-])c1cc(Cl)c(Br)cc1OCC1CC1 ZINC000095494768 185373828 /nfs/dbraw/zinc/37/38/28/185373828.db2.gz VRLWUGSSQMOBKC-UHFFFAOYSA-N 0 0 306.543 3.800 50 5 DHBARN O=C(Cc1ccccc1Cl)Nc1ccc([N+](=O)[O-])c(F)c1 ZINC000095440768 185366195 /nfs/dbraw/zinc/36/61/95/185366195.db2.gz HIRSISRXOKKTFE-UHFFFAOYSA-N 0 0 308.696 3.569 50 5 DHBARN O=[N+]([O-])c1ccc(N2CCCC(F)(F)C2)cc1Br ZINC000169725336 197748505 /nfs/dbraw/zinc/74/85/05/197748505.db2.gz RQWGXGIOFGSPIX-UHFFFAOYSA-N 0 0 321.121 3.593 50 5 DHBARN CC(C)(C)C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000000076803 563520410 /nfs/dbraw/zinc/52/04/10/563520410.db2.gz QRYZDZIALBKMGO-UHFFFAOYSA-N 0 0 320.370 3.808 50 5 DHBARN CCOc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000000043905 180676000 /nfs/dbraw/zinc/67/60/00/180676000.db2.gz OZZXPKLIBLEFKT-IZZDOVSWSA-N 0 0 312.325 3.645 50 5 DHBARN O=C(Nc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2)C(F)(F)F ZINC000000056675 180679868 /nfs/dbraw/zinc/67/98/68/180679868.db2.gz KQTBJIDQYNJEKV-UHFFFAOYSA-N 0 0 322.242 3.667 50 5 DHBARN O=C(NCC1(c2ccccc2)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000000168958 180713391 /nfs/dbraw/zinc/71/33/91/180713391.db2.gz RZVPMUSKSUPGPS-UHFFFAOYSA-N 0 0 324.380 3.837 50 5 DHBARN CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000288747 180748651 /nfs/dbraw/zinc/74/86/51/180748651.db2.gz QVEAOUDGTDJUDB-UHFFFAOYSA-N 0 0 304.733 3.520 50 5 DHBARN O=C(c1ccccc1[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000000272920 180744653 /nfs/dbraw/zinc/74/46/53/180744653.db2.gz MMZDMNXJPNFUFD-UHFFFAOYSA-N 0 0 324.380 3.690 50 5 DHBARN O=[N+]([O-])c1ccc(-c2nc3sccn3c2Br)cc1 ZINC000000343107 180762335 /nfs/dbraw/zinc/76/23/35/180762335.db2.gz UVFSOWAQHYTTPY-UHFFFAOYSA-N 0 0 324.159 3.734 50 5 DHBARN C[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000000547332 180819171 /nfs/dbraw/zinc/81/91/71/180819171.db2.gz QBGNZTMXHZUPOZ-NSHDSACASA-N 0 0 318.760 3.609 50 5 DHBARN CC(C)C(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000002519828 180931560 /nfs/dbraw/zinc/93/15/60/180931560.db2.gz CNWARFRYQBDAAP-UHFFFAOYSA-N 0 0 312.325 3.686 50 5 DHBARN Nc1c(-c2ccccc2Cl)cnn1-c1cccc([N+](=O)[O-])c1 ZINC000003133832 180984130 /nfs/dbraw/zinc/98/41/30/180984130.db2.gz CHSTYASAQDSPGU-UHFFFAOYSA-N 0 0 314.732 3.683 50 5 DHBARN CCc1ccc(C2=C(c3ccc([N+](=O)[O-])cc3)C(=O)OC2)cc1 ZINC000003300939 181002456 /nfs/dbraw/zinc/00/24/56/181002456.db2.gz JJWYUNKYGHCZEN-UHFFFAOYSA-N 0 0 309.321 3.625 50 5 DHBARN CSc1ccc(C(=O)Nc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000003553769 181033609 /nfs/dbraw/zinc/03/36/09/181033609.db2.gz BWJHPSGMXYTFAR-UHFFFAOYSA-N 0 0 306.318 3.708 50 5 DHBARN O=[N+]([O-])c1ccc(CSc2ncnc3sccc32)cc1 ZINC000003562762 181035450 /nfs/dbraw/zinc/03/54/50/181035450.db2.gz VVDFWRLZPHOPCY-UHFFFAOYSA-N 0 0 303.368 3.892 50 5 DHBARN O=[N+]([O-])c1ccc(NCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000004001963 181061478 /nfs/dbraw/zinc/06/14/78/181061478.db2.gz DKZNCUMADHGTIW-UHFFFAOYSA-N 0 0 307.693 3.769 50 5 DHBARN COC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000004015689 181063003 /nfs/dbraw/zinc/06/30/03/181063003.db2.gz SHPHAYYMDOAIRJ-UHFFFAOYSA-N 0 0 307.689 3.827 50 5 DHBARN Cc1cc2nc(NC(=O)c3ccc([N+](=O)[O-])o3)sc2c(C)c1 ZINC000004264325 181089241 /nfs/dbraw/zinc/08/92/41/181089241.db2.gz FAWPPRJTQDDBAL-UHFFFAOYSA-N 0 0 317.326 3.667 50 5 DHBARN Cc1nn2c(=O)c3c4c(sc3nc2c2ccccc12)CCCC4 ZINC000004276599 181091708 /nfs/dbraw/zinc/09/17/08/181091708.db2.gz GZPOMXVLBDAPMF-UHFFFAOYSA-N 0 0 321.405 3.645 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@H]2C=CCCCC[C@@H]21 ZINC000004546513 181123151 /nfs/dbraw/zinc/12/31/51/181123151.db2.gz VSOZXAHPNMJONZ-OFQRWUPVSA-N 0 0 300.358 3.834 50 5 DHBARN CNc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000004759431 181149097 /nfs/dbraw/zinc/14/90/97/181149097.db2.gz VEWLCNKLWCZJEB-UHFFFAOYSA-N 0 0 320.732 3.647 50 5 DHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(OC(C)C)cc1 ZINC000004803130 181153731 /nfs/dbraw/zinc/15/37/31/181153731.db2.gz BABSRPRKFMASHA-UHFFFAOYSA-N 0 0 314.341 3.943 50 5 DHBARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004903701 181170721 /nfs/dbraw/zinc/17/07/21/181170721.db2.gz YUBGKNXEWDCIAM-SNVBAGLBSA-N 0 0 320.732 3.654 50 5 DHBARN CSc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004927448 181174391 /nfs/dbraw/zinc/17/43/91/181174391.db2.gz MUBBOXGXZYWZGQ-UHFFFAOYSA-N 0 0 303.343 3.961 50 5 DHBARN CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1 ZINC000004983636 181184422 /nfs/dbraw/zinc/18/44/22/181184422.db2.gz MHSYEROIJXLHCE-UHFFFAOYSA-N 0 0 313.357 3.693 50 5 DHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1C(F)(F)F ZINC000004995609 181187439 /nfs/dbraw/zinc/18/74/39/181187439.db2.gz ZTEBASDSGYAZBM-UHFFFAOYSA-N 0 0 310.231 3.866 50 5 DHBARN C[C@@H](Oc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005010170 181190572 /nfs/dbraw/zinc/19/05/72/181190572.db2.gz RBGDENVWEFXKFQ-SNVBAGLBSA-N 0 0 320.732 3.654 50 5 DHBARN CCOc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005041363 181195499 /nfs/dbraw/zinc/19/54/99/181195499.db2.gz KFXAKSQIVGOJTF-UHFFFAOYSA-N 0 0 301.302 3.638 50 5 DHBARN CCCOc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000005093839 181203269 /nfs/dbraw/zinc/20/32/69/181203269.db2.gz NWKIINIRSGRGGA-UHFFFAOYSA-N 0 0 314.341 3.944 50 5 aggregator DHBARN O=C(COc1ccccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000005109084 181204214 /nfs/dbraw/zinc/20/42/14/181204214.db2.gz AMKBXNYEBVZRKA-UHFFFAOYSA-N 0 0 315.369 3.759 50 5 DHBARN Cc1nc2sc3ccccc3c(=O)c2c2nc3ccccc3n21 ZINC000005209256 181216869 /nfs/dbraw/zinc/21/68/69/181216869.db2.gz QXMMLKJFPYUTRG-UHFFFAOYSA-N 0 0 317.373 3.919 50 5 DHBARN O=C(OCc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])o1 ZINC000006224502 181320988 /nfs/dbraw/zinc/32/09/88/181320988.db2.gz VAOMXYMHNKGYTB-UHFFFAOYSA-N 0 0 316.096 3.852 50 5 DHBARN Cc1cc(C(=O)N(C)Cc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000015649941 182010640 /nfs/dbraw/zinc/01/06/40/182010640.db2.gz YRGUHQQDDCOJSL-UHFFFAOYSA-N 0 0 318.760 3.829 50 5 DHBARN O=C(c1cc2ccccc2o1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000018234537 182100376 /nfs/dbraw/zinc/10/03/76/182100376.db2.gz RMFAZNJFIHRAQX-UHFFFAOYSA-N 0 0 308.293 3.544 50 5 DHBARN O=[N+]([O-])c1ccc2c(c1)C=C1CCCC[C@]1(N1CCCC1)O2 ZINC000019904338 182162188 /nfs/dbraw/zinc/16/21/88/182162188.db2.gz KVFKCSNCZVQICP-KRWDZBQOSA-N 0 0 300.358 3.737 50 5 DHBARN O=C(c1ccccc1)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000023040160 182345319 /nfs/dbraw/zinc/34/53/19/182345319.db2.gz KWOUURXSZUNVTJ-UHFFFAOYSA-N 0 0 324.380 3.690 50 5 DHBARN Cc1cccc(C(=O)N(Cc2ccccc2)C2CC2)c1[N+](=O)[O-] ZINC000024837976 182392765 /nfs/dbraw/zinc/39/27/65/182392765.db2.gz AQMKYHQGWOHNMN-UHFFFAOYSA-N 0 0 310.353 3.708 50 5 DHBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2cc(Cl)ccc2[nH]1 ZINC000036395752 182824290 /nfs/dbraw/zinc/82/42/90/182824290.db2.gz AYDGEIKGMADVHE-UHFFFAOYSA-N 0 0 315.716 3.982 50 5 DHBARN Cc1c(NC(=O)N(C)Cc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000040099071 183034633 /nfs/dbraw/zinc/03/46/33/183034633.db2.gz IXDXMDMWVVASNR-UHFFFAOYSA-N 0 0 317.320 3.706 50 5 DHBARN CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000053052335 183885082 /nfs/dbraw/zinc/88/50/82/183885082.db2.gz KCEJMPKZBRAEPA-UHFFFAOYSA-N 0 0 324.340 3.671 50 5 DHBARN CC(C)=C[C@@H]1[C@H](C(=O)Oc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000057983582 184064247 /nfs/dbraw/zinc/06/42/47/184064247.db2.gz NGZJXHYURJYHGJ-BXUZGUMPSA-N 0 0 307.321 3.878 50 5 DHBARN CCn1c(C)cc(C(=O)COc2cccc([N+](=O)[O-])c2C)c1C ZINC000058357900 184108712 /nfs/dbraw/zinc/10/87/12/184108712.db2.gz LEUKLGKJWRFQEA-UHFFFAOYSA-N 0 0 316.357 3.603 50 5 DHBARN CCCCCOc1cc(N)c([N+](=O)[O-])cc1Br ZINC000065336872 184324971 /nfs/dbraw/zinc/32/49/71/184324971.db2.gz OHZWPVYCXDSWFZ-UHFFFAOYSA-N 0 0 303.156 3.509 50 5 DHBARN O=[N+]([O-])c1ccc(/C=C\c2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000033909181 257211187 /nfs/dbraw/zinc/21/11/87/257211187.db2.gz JRHDPBFTBMMEGF-BAQGIRSFSA-N 0 0 311.253 3.815 50 5 DHBARN COc1ccccc1Sc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000041030675 132141815 /nfs/dbraw/zinc/14/18/15/132141815.db2.gz JGERNOZEUGKGBT-UHFFFAOYSA-N 0 0 303.339 3.957 50 5 DHBARN Cc1ccc2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2c1 ZINC000000311811 431164431 /nfs/dbraw/zinc/16/44/31/431164431.db2.gz YIIHLTWFGGCLHK-UHFFFAOYSA-N 0 0 313.338 3.765 50 5 DHBARN CC(C)Oc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000000331103 517452472 /nfs/dbraw/zinc/45/24/72/517452472.db2.gz GKZNJNZDURLPRB-UHFFFAOYSA-N 0 0 318.304 3.773 50 5 DHBARN Cc1c(C(=O)OCc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000000572006 563671839 /nfs/dbraw/zinc/67/18/39/563671839.db2.gz PYXYRLWYIWPAGW-UHFFFAOYSA-N 0 0 305.717 3.914 50 5 DHBARN O=C(OCc1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000002849689 563940905 /nfs/dbraw/zinc/94/09/05/563940905.db2.gz CTPMDWADPNRNQH-UHFFFAOYSA-N 0 0 309.680 3.744 50 5 DHBARN CCSc1ccc(C(=O)Nc2cccc(C)n2)cc1[N+](=O)[O-] ZINC000000310053 563238870 /nfs/dbraw/zinc/23/88/70/563238870.db2.gz DLKKTXHJWRKHHD-UHFFFAOYSA-N 0 0 317.370 3.663 50 5 aggregator DHBARN O=C1NC(=S)SC1=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002536892 563329858 /nfs/dbraw/zinc/32/98/58/563329858.db2.gz NBYJQRLZAULILW-XBXARRHUSA-N 0 0 300.748 3.577 50 5 DHBARN Cc1cccc(OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000000078744 563520703 /nfs/dbraw/zinc/52/07/03/563520703.db2.gz RHOBHYGVTHOJBA-UHFFFAOYSA-N 0 0 311.297 3.532 50 5 DHBARN CCOc1ccsc1-c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000000082868 563523895 /nfs/dbraw/zinc/52/38/95/563523895.db2.gz FBYLDZFEXGHLCP-UHFFFAOYSA-N 0 0 317.326 3.772 50 5 DHBARN O=C1C[C@@H](c2ccccc2[N+](=O)[O-])c2cc3c(cc2N1)CCC3 ZINC000000107463 563543937 /nfs/dbraw/zinc/54/39/37/563543937.db2.gz CLSSEEVUVMQMPC-AWEZNQCLSA-N 0 0 308.337 3.558 50 5 DHBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCCSc2ccccc21 ZINC000014247472 563564969 /nfs/dbraw/zinc/56/49/69/563564969.db2.gz HIKDWVNWRXZAQZ-UHFFFAOYSA-N 0 0 314.366 3.737 50 5 DHBARN Cc1cc(C)c(NC(=O)COc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000000121226 563571316 /nfs/dbraw/zinc/57/13/16/563571316.db2.gz YJGQRRMXQAUCDS-UHFFFAOYSA-N 0 0 314.341 3.538 50 5 DHBARN O=C(OCc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])o1 ZINC000000120479 563571719 /nfs/dbraw/zinc/57/17/19/563571719.db2.gz XDNWFOXDIVRKCD-UHFFFAOYSA-N 0 0 315.203 3.564 50 5 DHBARN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc(F)c1 ZINC000000135219 563571976 /nfs/dbraw/zinc/57/19/76/563571976.db2.gz QKGACVITUAPJNU-UHFFFAOYSA-N 0 0 317.301 3.596 50 5 DHBARN Cc1ccc(C2=N/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1C ZINC000000177157 563575065 /nfs/dbraw/zinc/57/50/65/563575065.db2.gz IVWCLIFLVKWDLT-MHWRWJLKSA-N 0 0 322.320 3.556 50 5 DHBARN Cc1cccc(N2C(=O)CS[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000000180047 563575566 /nfs/dbraw/zinc/57/55/66/563575566.db2.gz NHHSMEDERMXGKA-MRXNPFEDSA-N 0 0 314.366 3.682 50 5 DHBARN Cc1ccc2cccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2n1 ZINC000000192619 563576882 /nfs/dbraw/zinc/57/68/82/563576882.db2.gz BUTWOAHGUMELHO-UHFFFAOYSA-N 0 0 322.320 3.979 50 5 DHBARN Cc1ccccc1N1C(=O)CS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000240178 563581294 /nfs/dbraw/zinc/58/12/94/563581294.db2.gz ASXWETYJQTVLMW-MRXNPFEDSA-N 0 0 314.366 3.682 50 5 DHBARN CC(=O)c1cc(Cl)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000265357 563583691 /nfs/dbraw/zinc/58/36/91/563583691.db2.gz SHPORZUMJKFIHB-UHFFFAOYSA-N 0 0 319.700 3.670 50 5 DHBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3)o2)cc1 ZINC000000266053 563583758 /nfs/dbraw/zinc/58/37/58/563583758.db2.gz LVEUPRMZIHFCTC-UHFFFAOYSA-N 0 0 313.338 3.937 50 5 DHBARN C[C@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000337663 563588932 /nfs/dbraw/zinc/58/89/32/563588932.db2.gz MPUXXOKZLZYAEJ-JTQLQIEISA-N 0 0 320.732 3.654 50 5 DHBARN CC(C)Oc1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000000373691 563591411 /nfs/dbraw/zinc/59/14/11/563591411.db2.gz IKTJLBAHKNVMJG-UHFFFAOYSA-N 0 0 318.304 3.773 50 5 DHBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1 ZINC000000444062 563614424 /nfs/dbraw/zinc/61/44/24/563614424.db2.gz YNGKMXYQOOLMRW-RMKNXTFCSA-N 0 0 302.717 3.900 50 5 DHBARN Cc1nc2ccccc2n1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000442609 563615155 /nfs/dbraw/zinc/61/51/55/563615155.db2.gz VSWPZVXRIJKLRX-UHFFFAOYSA-N 0 0 315.716 3.595 50 5 DHBARN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1 ZINC000000457198 563615666 /nfs/dbraw/zinc/61/56/66/563615666.db2.gz GVYXJXMLDJTSMI-ZDUSSCGKSA-N 0 0 302.305 3.866 50 5 DHBARN Cc1cc(Cl)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000000453119 563615701 /nfs/dbraw/zinc/61/57/01/563615701.db2.gz VFABZKKRTMCSPP-UHFFFAOYSA-N 0 0 304.733 3.738 50 5 DHBARN COc1ccc(C)cc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000000472007 563624940 /nfs/dbraw/zinc/62/49/40/563624940.db2.gz ZMPHHPZYDBSLJY-GFCCVEGCSA-N 0 0 314.341 3.654 50 5 DHBARN O=[N+]([O-])c1ccc(-c2noc(CSc3ccccc3)n2)cc1 ZINC000000471306 563625023 /nfs/dbraw/zinc/62/50/23/563625023.db2.gz SIOGMIGMTGKVRL-UHFFFAOYSA-N 0 0 313.338 3.937 50 5 DHBARN CC(C)O[C@@]1(c2ccc([N+](=O)[O-])cc2)COc2ccccc2O1 ZINC000000494150 563650786 /nfs/dbraw/zinc/65/07/86/563650786.db2.gz JGTRFAURDIUHDD-KRWDZBQOSA-N 0 0 315.325 3.644 50 5 DHBARN O=[N+]([O-])c1ccc(N[C@H](c2ccccc2)c2ccccn2)nc1 ZINC000045773837 563690054 /nfs/dbraw/zinc/69/00/54/563690054.db2.gz XEWGTNRIMIAYKW-QGZVFWFLSA-N 0 0 306.325 3.586 50 5 DHBARN O=C(Nc1cccc(-c2cnco2)c1)c1cccc([N+](=O)[O-])c1 ZINC000048204726 563693379 /nfs/dbraw/zinc/69/33/79/563693379.db2.gz SBIVTNDOTNNTSM-UHFFFAOYSA-N 0 0 309.281 3.502 50 5 DHBARN O=C(NCCc1cccc(Cl)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000000621333 563703238 /nfs/dbraw/zinc/70/32/38/563703238.db2.gz DNPQHUNBAVOUPV-UHFFFAOYSA-N 0 0 319.748 3.612 50 5 DHBARN Cc1ccc(OCc2nnc(-c3cccs3)o2)c([N+](=O)[O-])c1 ZINC000024733129 563705208 /nfs/dbraw/zinc/70/52/08/563705208.db2.gz NWAGQBLJXSLQAF-UHFFFAOYSA-N 0 0 317.326 3.594 50 5 DHBARN Cn1c(-c2ccccc2)cn2cc(-c3cccc([N+](=O)[O-])c3)nc12 ZINC000000819503 563721435 /nfs/dbraw/zinc/72/14/35/563721435.db2.gz MSIXAFWSVODTAC-UHFFFAOYSA-N 0 0 318.336 3.915 50 5 DHBARN Cc1c2c(cc([N+](=O)[O-])c1OC(=O)c1ccco1)CCCC2 ZINC000001077672 563788112 /nfs/dbraw/zinc/78/81/12/563788112.db2.gz WIMIOMQWNQRJEB-UHFFFAOYSA-N 0 0 301.298 3.594 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccccc1C ZINC000001064605 563788236 /nfs/dbraw/zinc/78/82/36/563788236.db2.gz UFLGSXGSHSVFRJ-ZDUSSCGKSA-N 0 0 314.341 3.618 50 5 DHBARN Cc1cc2cc(Nc3nc4ccccn4c3[N+](=O)[O-])ccc2[nH]1 ZINC000031653500 563795930 /nfs/dbraw/zinc/79/59/30/563795930.db2.gz BBGPEQDYNOFIHV-UHFFFAOYSA-N 0 0 307.313 3.776 50 5 DHBARN CC(=O)Oc1cn(C(C)C)c2nc(C)n3c4ccccc4nc3c12 ZINC000012560529 563801702 /nfs/dbraw/zinc/80/17/02/563801702.db2.gz QLMLGEUAMMESFR-UHFFFAOYSA-N 0 0 322.368 3.652 50 5 DHBARN Cc1cc(C)c(C)c(OC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000031887620 563807696 /nfs/dbraw/zinc/80/76/96/563807696.db2.gz QSHSGJDVJQHFRW-UHFFFAOYSA-N 0 0 315.325 3.504 50 5 DHBARN Cc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2o1 ZINC000012748842 563821300 /nfs/dbraw/zinc/82/13/00/563821300.db2.gz ZBXBPJQXQFQGAB-UHFFFAOYSA-N 0 0 311.297 3.605 50 5 DHBARN CC(=O)N(C)c1cc([N+](=O)[O-])cc2c1C=Cc1ccccc1O2 ZINC000001424386 563822858 /nfs/dbraw/zinc/82/28/58/563822858.db2.gz DAVQCKZAEJVSCQ-UHFFFAOYSA-N 0 0 310.309 3.854 50 5 DHBARN O=c1c2c3ccccc3sc2ncn1-c1ccc([N+](=O)[O-])cc1 ZINC000005739737 563846753 /nfs/dbraw/zinc/84/67/53/563846753.db2.gz ZBQZJLJJWBCITR-UHFFFAOYSA-N 0 0 323.333 3.509 50 5 DHBARN O=[N+]([O-])c1ccc([C@@H]2N=NC(c3ccc(F)cc3)=CN2O)cc1 ZINC000075253334 563861714 /nfs/dbraw/zinc/86/17/14/563861714.db2.gz DBLFIBWGNXIMEY-OAHLLOKOSA-N 0 0 314.276 3.888 50 5 DHBARN Cc1nc(NC(C)(C)C)nc(N(C)c2ccccc2)c1[N+](=O)[O-] ZINC000075287125 563863085 /nfs/dbraw/zinc/86/30/85/563863085.db2.gz RECOOCDYGYIMHD-UHFFFAOYSA-N 0 0 315.377 3.672 50 5 DHBARN Cc1ccc(OCCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000001773405 563878249 /nfs/dbraw/zinc/87/82/49/563878249.db2.gz NZFPTZYEWISGKL-UHFFFAOYSA-N 0 0 314.341 3.701 50 5 DHBARN CCCCc1nn2cc(-c3ccc([N+](=O)[O-])cc3)nc2s1 ZINC000001791784 563878616 /nfs/dbraw/zinc/87/86/16/563878616.db2.gz XXDGXKBDAITGAX-UHFFFAOYSA-N 0 0 302.359 3.709 50 5 DHBARN C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1cccc(Br)c1 ZINC000026709867 563879230 /nfs/dbraw/zinc/87/92/30/563879230.db2.gz QTBMVAMQLGSXAC-VIFPVBQESA-N 0 0 322.162 3.925 50 5 DHBARN CNC(=O)c1ccc(NCC2CCCCCCC2)c([N+](=O)[O-])c1 ZINC000064914960 563894772 /nfs/dbraw/zinc/89/47/72/563894772.db2.gz XBKMNGJBYVFOGZ-UHFFFAOYSA-N 0 0 319.405 3.727 50 5 DHBARN O=[N+]([O-])c1ncccc1OCc1csc(-c2ccsc2)n1 ZINC000007371070 563905881 /nfs/dbraw/zinc/90/58/81/563905881.db2.gz WUSSWMBFHJDWJR-UHFFFAOYSA-N 0 0 319.367 3.754 50 5 DHBARN Cc1ccc2c(c1)CCCN2C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000014423132 563910547 /nfs/dbraw/zinc/91/05/47/563910547.db2.gz KSSDCSYDQGSFEU-UHFFFAOYSA-N 0 0 310.353 3.805 50 5 DHBARN CC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000007642665 563917651 /nfs/dbraw/zinc/91/76/51/563917651.db2.gz KBDDPDLDDONGDM-UHFFFAOYSA-N 0 0 318.716 3.703 50 5 DHBARN O=C(Nc1cccc2ncccc21)c1ccc([N+](=O)[O-])cc1F ZINC000054916934 563921075 /nfs/dbraw/zinc/92/10/75/563921075.db2.gz FBLWPJPNCLJDEA-UHFFFAOYSA-N 0 0 311.272 3.534 50 5 DHBARN Cc1ccc([N+](=O)[O-])c(NC(=O)Sc2ccc(O)cc2)c1 ZINC000019862771 563923695 /nfs/dbraw/zinc/92/36/95/563923695.db2.gz APEXGYKTFUUDRR-UHFFFAOYSA-N 0 0 304.327 3.933 50 5 DHBARN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCC1(O)CCC1 ZINC000078601617 563927967 /nfs/dbraw/zinc/92/79/67/563927967.db2.gz VZJNYMYMNMIAFG-UHFFFAOYSA-N 0 0 324.686 3.594 50 5 DHBARN O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccncc2)c2ccncc21 ZINC000301911078 563928456 /nfs/dbraw/zinc/92/84/56/563928456.db2.gz GHMXEPVRAXZINW-INIZCTEOSA-N 0 0 320.352 3.880 50 5 DHBARN C[C@@H]1CCCC[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000095941195 563931962 /nfs/dbraw/zinc/93/19/62/563931962.db2.gz WPKBABQIMJWCCD-WBMJQRKESA-N 0 0 315.373 3.918 50 5 DHBARN CCCC[C@@H](CC)CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000002774151 563940730 /nfs/dbraw/zinc/94/07/30/563940730.db2.gz AQNKUGNUUVXILY-BRADTZPFSA-N 0 0 304.390 3.941 50 5 DHBARN CCOc1ccccc1OCCCOc1ccc([N+](=O)[O-])cc1 ZINC000002985121 563941518 /nfs/dbraw/zinc/94/15/18/563941518.db2.gz DJXNFMMEOKTXOG-UHFFFAOYSA-N 0 0 317.341 3.841 50 5 DHBARN O=[N+]([O-])c1ccccc1OCCOc1cccc2cccnc21 ZINC000002994730 563941630 /nfs/dbraw/zinc/94/16/30/563941630.db2.gz KAGWSESTFMRGSM-UHFFFAOYSA-N 0 0 310.309 3.601 50 5 DHBARN Cc1ccc(C)c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC000003478929 563944140 /nfs/dbraw/zinc/94/41/40/563944140.db2.gz NVBYECSDSLEXSZ-UHFFFAOYSA-N 0 0 316.382 3.942 50 5 DHBARN CCCc1noc(-c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 ZINC000008587142 563949114 /nfs/dbraw/zinc/94/91/14/563949114.db2.gz HQTBMNBLQHSSRA-UHFFFAOYSA-N 0 0 316.361 3.588 50 5 DHBARN O=[N+]([O-])c1ccc(-c2csc(NCc3ccco3)n2)cc1 ZINC000009314209 563954954 /nfs/dbraw/zinc/95/49/54/563954954.db2.gz SRDVVVITFLMBQI-UHFFFAOYSA-N 0 0 301.327 3.923 50 5 DHBARN CSc1ccc(C(=O)Nc2ccc(C)cc2O)cc1[N+](=O)[O-] ZINC000009514926 563956446 /nfs/dbraw/zinc/95/64/46/563956446.db2.gz WBSSBCWNWAMGFY-UHFFFAOYSA-N 0 0 318.354 3.583 50 5 DHBARN CO[C@@H](C)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000071862887 563959517 /nfs/dbraw/zinc/95/95/17/563959517.db2.gz IBUSDTKMCKWRLO-JTQLQIEISA-N 0 0 318.304 3.694 50 5 DHBARN CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000189075 1016782211 /nfs/dbraw/zinc/78/22/11/1016782211.db2.gz IAAJMOPIVNWXGQ-KRWDZBQOSA-N 0 0 323.352 3.683 50 5 DHBARN CCc1cc2c(s1)S[C@@H](c1ccc([N+](=O)[O-])cc1)NC2=O ZINC000000185094 1016782790 /nfs/dbraw/zinc/78/27/90/1016782790.db2.gz OQEBAEWCGIGZOI-ZDUSSCGKSA-N 0 0 320.395 3.753 50 5 DHBARN O=C1OC(/C=C/c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1ccccc1 ZINC000003185761 1020568269 /nfs/dbraw/zinc/56/82/69/1020568269.db2.gz QFZWSPMUAVAFGU-NJAVVXAXSA-N 0 0 320.304 3.604 50 5 DHBARN C[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000675029885 1022768992 /nfs/dbraw/zinc/76/89/92/1022768992.db2.gz RDPLGSVCBSGDOW-QWRGUYRKSA-N 0 0 304.371 3.637 50 5 DHBARN CC[C@@](C)(CCCNc1ccccc1[N+](=O)[O-])C1OCCO1 ZINC000072307582 1023119770 /nfs/dbraw/zinc/11/97/70/1023119770.db2.gz QYAOFNWGNLVQPY-INIZCTEOSA-N 0 0 308.378 3.576 50 5 DHBARN COc1ccc(C)cc1Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000012082684 1023320507 /nfs/dbraw/zinc/32/05/07/1023320507.db2.gz PVHRTCZBMWKHGT-UHFFFAOYSA-N 0 0 310.313 3.599 50 5 DHBARN O=[N+]([O-])c1ccc(Br)cc1OC(F)(F)Cl ZINC000095215727 1026128834 /nfs/dbraw/zinc/12/88/34/1026128834.db2.gz ZMQVVTDFRWWLPM-UHFFFAOYSA-N 0 0 302.458 3.525 50 5 DHBARN CCOc1cc(NC(=O)c2ccoc2C2CC2)ccc1[N+](=O)[O-] ZINC000585125019 1029801717 /nfs/dbraw/zinc/80/17/17/1029801717.db2.gz DIXZZUQPJARXEU-UHFFFAOYSA-N 0 0 316.313 3.716 50 5 DHBARN O=[N+]([O-])c1ccc(CC(Cl)=Nc2ccccn2)c([N+](=O)[O-])c1 ZINC000103439173 1033613989 /nfs/dbraw/zinc/61/39/89/1033613989.db2.gz NVBDCHLEDMIMPL-GHXNOFRVSA-N 0 0 320.692 3.547 50 5 DHBARN CCOC(=O)c1cc([N+](=O)[O-])ccc1Oc1cncc(Cl)c1 ZINC000000093086 190610819 /nfs/dbraw/zinc/61/08/19/190610819.db2.gz VIAJAOPZUDYREP-UHFFFAOYSA-N 0 0 322.704 3.612 50 5 DHBARN O=C(Nc1ncccc1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000095458287 185370495 /nfs/dbraw/zinc/37/04/95/185370495.db2.gz LPIMQEYVDNRKCZ-UHFFFAOYSA-N 0 0 319.320 3.909 50 5 DHBARN O=[N+]([O-])c1ccc(Br)cc1N1CCCC(F)(F)C1 ZINC000169725418 197748263 /nfs/dbraw/zinc/74/82/63/197748263.db2.gz BUJJBYIICIYYML-UHFFFAOYSA-N 0 0 321.121 3.593 50 5 DHBARN Cc1ccc(Nc2c3ccccc3oc(=O)c2[N+](=O)[O-])cc1C ZINC000102929100 185426771 /nfs/dbraw/zinc/42/67/71/185426771.db2.gz DUAYZOGIIXEGLG-OBGWFSINSA-N 0 0 310.309 3.896 50 5 DHBARN C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ncc[nH]1 ZINC000139889504 186024507 /nfs/dbraw/zinc/02/45/07/186024507.db2.gz NFCVHHMSTPEARK-SSDOTTSWSA-N 0 0 300.240 3.510 50 5 DHBARN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1ccoc1C1CC1 ZINC000225588728 186280450 /nfs/dbraw/zinc/28/04/50/186280450.db2.gz OPEZMVJLNOTKIS-UHFFFAOYSA-N 0 0 320.732 3.649 50 5 DHBARN CC(=O)c1cc(Cl)ccc1OC(=O)c1ccccc1[N+](=O)[O-] ZINC000000265355 180742317 /nfs/dbraw/zinc/74/23/17/180742317.db2.gz LCCXOGRFDVYMCA-UHFFFAOYSA-N 0 0 319.700 3.670 50 5 DHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(C)C)cc1 ZINC000000476625 180803155 /nfs/dbraw/zinc/80/31/55/180803155.db2.gz KCWUUJYEAZPJJP-UHFFFAOYSA-N 0 0 314.341 3.979 50 5 DHBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1C[C@@H]1c1ccccc1 ZINC000000483200 180804598 /nfs/dbraw/zinc/80/45/98/180804598.db2.gz BKRWITFCQFWHDZ-OLZOCXBDSA-N 0 0 316.744 3.990 50 5 DHBARN Cc1c(Cl)cccc1NC(=O)c1ccccc1CC[N+](=O)[O-] ZINC000001398086 180861336 /nfs/dbraw/zinc/86/13/36/180861336.db2.gz VNWWKIYBTOCKKX-UHFFFAOYSA-N 0 0 318.760 3.720 50 5 DHBARN CC(=O)c1ccc2c(=O)n3c4ccccc4nc3c3cccc1c32 ZINC000001513566 180870788 /nfs/dbraw/zinc/87/07/88/180870788.db2.gz YTRBMKKIWQIJKJ-UHFFFAOYSA-N 0 0 312.328 3.795 50 5 DHBARN CCOC(=O)CCCCCCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002580312 180937107 /nfs/dbraw/zinc/93/71/07/180937107.db2.gz DMROQKSPOGJSSL-UHFFFAOYSA-N 0 0 307.346 3.681 50 5 DHBARN C[C@@H]1C[C@H]1C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 ZINC000003286569 181000303 /nfs/dbraw/zinc/00/03/03/181000303.db2.gz DMSWOIBHKLUPSN-IAQYHMDHSA-N 0 0 308.333 3.645 50 5 DHBARN Cc1cccc(C(=O)OCc2ccccc2Cl)c1[N+](=O)[O-] ZINC000003495063 181026702 /nfs/dbraw/zinc/02/67/02/181026702.db2.gz DOMYOKXDATWBBL-UHFFFAOYSA-N 0 0 305.717 3.914 50 5 DHBARN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 ZINC000003549452 181032639 /nfs/dbraw/zinc/03/26/39/181032639.db2.gz YBPQBKZWIXRNRE-UHFFFAOYSA-N 0 0 322.773 3.979 50 5 DHBARN Cc1cc(F)ccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000003559042 181034428 /nfs/dbraw/zinc/03/44/28/181034428.db2.gz SOGNRUOXINYZNU-VMPITWQZSA-N 0 0 300.289 3.694 50 5 DHBARN COc1ccc(CNc2ccc([N+](=O)[O-])cc2C)c(OC)c1 ZINC000004309319 181095572 /nfs/dbraw/zinc/09/55/72/181095572.db2.gz XUULDIJFWUBGIE-UHFFFAOYSA-N 0 0 302.330 3.533 50 5 DHBARN O=c1ccc2nc3ccc(OCc4ccccc4)cc3oc-2c1 ZINC000004534147 181120835 /nfs/dbraw/zinc/12/08/35/181120835.db2.gz XNZRYTITWLGTJS-UHFFFAOYSA-N 0 0 303.317 3.872 50 5 in-vitro DHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(Cl)cc1 ZINC000004599187 181128801 /nfs/dbraw/zinc/12/88/01/181128801.db2.gz LZPIQOQGEKGISH-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN CCCCCC[C@H](C)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000004702898 181139826 /nfs/dbraw/zinc/13/98/26/181139826.db2.gz QJWVNFRRLPATQJ-LBPRGKRZSA-N 0 0 308.378 3.692 50 5 DHBARN CCCOc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000004689079 181136906 /nfs/dbraw/zinc/13/69/06/181136906.db2.gz JEMOOPPNCJBZRR-UHFFFAOYSA-N 0 0 300.314 3.636 50 5 DHBARN Cc1ccc(NC(=O)COc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000004725327 181142820 /nfs/dbraw/zinc/14/28/20/181142820.db2.gz MLXCHWQPGXFUHU-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN CCN(CC)C(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004832573 181158840 /nfs/dbraw/zinc/15/88/40/181158840.db2.gz WPGXPGDZFULZRM-UHFFFAOYSA-N 0 0 314.341 3.869 50 5 DHBARN CSc1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000005443597 181244430 /nfs/dbraw/zinc/24/44/30/181244430.db2.gz UAOVNYYIXKPUOT-MDZDMXLPSA-N 0 0 314.366 3.969 50 5 DHBARN O=[N+]([O-])c1cccnc1Nc1ccc(OC(F)F)c(Cl)c1 ZINC000005636691 181266824 /nfs/dbraw/zinc/26/68/24/181266824.db2.gz YOYBTOYGUGFLRH-UHFFFAOYSA-N 0 0 315.663 3.988 50 5 DHBARN Cc1ccc(OCc2coc(-c3ccccc3)n2)c([N+](=O)[O-])n1 ZINC000005689581 181273016 /nfs/dbraw/zinc/27/30/16/181273016.db2.gz HZAKBINGWJNOLR-UHFFFAOYSA-N 0 0 311.297 3.532 50 5 DHBARN O=C(Nc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])s1 ZINC000005937933 181298742 /nfs/dbraw/zinc/29/87/42/181298742.db2.gz VAFWPOJPZGJGCC-UHFFFAOYSA-N 0 0 316.260 3.927 50 5 DHBARN CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)cn2ccccc12 ZINC000005953195 181299861 /nfs/dbraw/zinc/29/98/61/181299861.db2.gz IZOLBHAYHCRRHJ-UHFFFAOYSA-N 0 0 310.309 3.691 50 5 DHBARN O=C(OCc1ncc(-c2ccccc2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000005966705 181302188 /nfs/dbraw/zinc/30/21/88/181302188.db2.gz FUJRJXPNIYJMED-UHFFFAOYSA-N 0 0 324.292 3.607 50 5 DHBARN O=[N+]([O-])c1ccc(NC[C@H]2COc3ccccc3O2)c(Cl)c1 ZINC000006051587 181308782 /nfs/dbraw/zinc/30/87/82/181308782.db2.gz ZXWBJRHMDSIGAI-NSHDSACASA-N 0 0 320.732 3.500 50 5 DHBARN O=[N+]([O-])c1ccc(C=Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000006445449 181341313 /nfs/dbraw/zinc/34/13/13/181341313.db2.gz STPWTFLJRZKJFV-FPYGCLRLSA-N 0 0 310.269 3.550 50 5 DHBARN CCc1ccc(NC(=O)c2cccc(OC)c2[N+](=O)[O-])cc1F ZINC000194756439 201284006 /nfs/dbraw/zinc/28/40/06/201284006.db2.gz FUTXTFZKWPPXPL-UHFFFAOYSA-N 0 0 318.304 3.557 50 5 DHBARN Cc1nn(C)c(C)c1/C=C/c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC000006510548 181348093 /nfs/dbraw/zinc/34/80/93/181348093.db2.gz UFQSGICNULFCEX-VQHVLOKHSA-N 0 0 308.341 3.664 50 5 DHBARN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000008034007 181521269 /nfs/dbraw/zinc/52/12/69/181521269.db2.gz UBIDTOOCOXHWTH-NSHDSACASA-N 0 0 318.760 3.668 50 5 DHBARN Cc1c(C(=O)N[C@H](c2ccccc2)C2CC2)cccc1[N+](=O)[O-] ZINC000011205910 181686539 /nfs/dbraw/zinc/68/65/39/181686539.db2.gz DVHOOQUDVVBYGS-QGZVFWFLSA-N 0 0 310.353 3.784 50 5 DHBARN C[C@@H](Sc1nnnn1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000021732414 182287398 /nfs/dbraw/zinc/28/73/98/182287398.db2.gz JOGMJSMKVWAHJC-SNVBAGLBSA-N 0 0 319.390 3.550 50 5 DHBARN O=[N+]([O-])c1cccc(OCc2csc(-c3ccco3)n2)c1 ZINC000022517412 182324468 /nfs/dbraw/zinc/32/44/68/182324468.db2.gz GVEVQZRKZDYFOE-UHFFFAOYSA-N 0 0 302.311 3.890 50 5 DHBARN CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCc2ccccc21 ZINC000023151703 182351536 /nfs/dbraw/zinc/35/15/36/182351536.db2.gz SBLPCPIFGQOXGP-QGZVFWFLSA-N 0 0 310.353 3.744 50 5 DHBARN O=C(Cc1ccc(-n2cccc2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000040074777 183031308 /nfs/dbraw/zinc/03/13/08/183031308.db2.gz MRJONLNYRIQSSZ-UHFFFAOYSA-N 0 0 321.336 3.567 50 5 DHBARN C[C@H]1C[C@@H]1c1ccc(CN(c2ccc([N+](=O)[O-])cn2)C2CC2)o1 ZINC000042103215 183233099 /nfs/dbraw/zinc/23/30/99/183233099.db2.gz OXSNLTORUFKFTL-NHYWBVRUSA-N 0 0 313.357 3.875 50 5 DHBARN Cc1oc(-c2ccccc2)nc1CCNc1ncccc1[N+](=O)[O-] ZINC000058140202 184080621 /nfs/dbraw/zinc/08/06/21/184080621.db2.gz IKOGGNXTEDASBO-UHFFFAOYSA-N 0 0 324.340 3.608 50 5 DHBARN CO[C@H](C)c1nsc(Oc2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC000328589463 533136298 /nfs/dbraw/zinc/13/62/98/533136298.db2.gz IHSMDFZCCJGLCL-ZCFIWIBFSA-N 0 0 315.738 3.599 50 5 DHBARN CSc1ccc(C(=O)N2CCCc3c([N+](=O)[O-])cccc32)o1 ZINC000162199199 525959070 /nfs/dbraw/zinc/95/90/70/525959070.db2.gz UZEARXSUCKYNNR-UHFFFAOYSA-N 0 0 318.354 3.503 50 5 DHBARN O=c1c2cccc3cccc(c4nc5cc([N+](=O)[O-])ccc5n41)c32 ZINC000000226036 563231382 /nfs/dbraw/zinc/23/13/82/563231382.db2.gz ZKERDHWYLOMXPD-UHFFFAOYSA-N 0 0 315.288 3.500 50 5 DHBARN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1 ZINC000032904101 563410295 /nfs/dbraw/zinc/41/02/95/563410295.db2.gz MGSPSOMTWWUGGI-LLVKDONJSA-N 0 0 308.721 3.722 50 5 DHBARN Cc1c(C(=O)N[C@@H](c2ccccc2)C2CC2)cccc1[N+](=O)[O-] ZINC000011205892 563481206 /nfs/dbraw/zinc/48/12/06/563481206.db2.gz DVHOOQUDVVBYGS-KRWDZBQOSA-N 0 0 310.353 3.784 50 5 DHBARN O=[N+]([O-])c1ccc([C@H]2CC2(Br)Br)cc1 ZINC000000085147 563524084 /nfs/dbraw/zinc/52/40/84/563524084.db2.gz NGJNJLGZOFEABY-MRVPVSSYSA-N 0 0 320.968 3.568 50 5 DHBARN COc1ccc(Cl)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000000101991 563543329 /nfs/dbraw/zinc/54/33/29/563543329.db2.gz WZMPUDWIMUBLQJ-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN Cc1ccccc1-c1cc(=O)oc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000000121297 563571644 /nfs/dbraw/zinc/57/16/44/563571644.db2.gz XAWRZMYBQFHEMH-UHFFFAOYSA-N 0 0 308.293 3.585 50 5 DHBARN O=[N+]([O-])c1ccc(Sc2cccc(Cl)c2)c2nonc21 ZINC000000168612 563573935 /nfs/dbraw/zinc/57/39/35/563573935.db2.gz RWTVQJMHWQOGAT-UHFFFAOYSA-N 0 0 307.718 3.936 50 5 DHBARN O=C(OCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccco1 ZINC000000172556 563574717 /nfs/dbraw/zinc/57/47/17/563574717.db2.gz FYASNGGEMSQRCE-UHFFFAOYSA-N 0 0 313.265 3.805 50 5 DHBARN Cc1ccc(C2=N/C(=C\c3ccccc3[N+](=O)[O-])C(=O)O2)cc1C ZINC000000177199 563575142 /nfs/dbraw/zinc/57/51/42/563575142.db2.gz SDEPXYNKPSIDGU-GDNBJRDFSA-N 0 0 322.320 3.556 50 5 DHBARN COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000000272706 563584384 /nfs/dbraw/zinc/58/43/84/563584384.db2.gz CWCCIFTWGXDYDN-UHFFFAOYSA-N 0 0 308.293 3.597 50 5 DHBARN O=C(Nc1ccc(F)cc1F)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000288777 563584593 /nfs/dbraw/zinc/58/45/93/563584593.db2.gz BJJVIILYKVZSPO-UHFFFAOYSA-N 0 0 312.659 3.779 50 5 DHBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 ZINC000000290689 563584918 /nfs/dbraw/zinc/58/49/18/563584918.db2.gz FRNJZOFYEXIXLC-XCVCLJGOSA-N 0 0 302.717 3.900 50 5 DHBARN CC(=O)Nc1nc(CCC(C)C)cc2c3ccccc3oc(=O)c21 ZINC000100636527 563597252 /nfs/dbraw/zinc/59/72/52/563597252.db2.gz XVSLXAPRGNLYEX-UHFFFAOYSA-N 0 0 324.380 3.888 50 5 aggregator DHBARN O=[N+]([O-])c1ccc2[nH]c(C=Cc3cccc([N+](=O)[O-])c3)nc2c1 ZINC000033862322 563603721 /nfs/dbraw/zinc/60/37/21/563603721.db2.gz QQNILPRNDUTMRY-DAXSKMNVSA-N 0 0 310.269 3.550 50 5 DHBARN CCOc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000000430474 563613861 /nfs/dbraw/zinc/61/38/61/563613861.db2.gz WOQSKJVMDDSLDH-UHFFFAOYSA-N 0 0 311.297 3.711 50 5 DHBARN O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)no2)c(Cl)c1 ZINC000000432994 563614105 /nfs/dbraw/zinc/61/41/05/563614105.db2.gz PLDWJPVRNTVCSH-UHFFFAOYSA-N 0 0 301.689 3.965 50 5 DHBARN CCOc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000000456003 563615703 /nfs/dbraw/zinc/61/57/03/563615703.db2.gz OZIMLLXFBMLCSB-UHFFFAOYSA-N 0 0 305.717 3.878 50 5 DHBARN O=[N+]([O-])c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000000472202 563624120 /nfs/dbraw/zinc/62/41/20/563624120.db2.gz LVUNOQMMKUYJQA-UHFFFAOYSA-N 0 0 308.131 3.936 50 5 DHBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCC1=CCCCC1 ZINC000000472699 563624246 /nfs/dbraw/zinc/62/42/46/563624246.db2.gz BSGJQHFYOYIGSK-DHZHZOJOSA-N 0 0 300.358 3.615 50 5 DHBARN Cc1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1C[C@@H]1CO1 ZINC000000478390 563624341 /nfs/dbraw/zinc/62/43/41/563624341.db2.gz QNHHBTACXJSMEP-OAHLLOKOSA-N 0 0 308.337 3.924 50 5 DHBARN Cc1cc(=O)oc2cc(OCc3cccc([N+](=O)[O-])c3)ccc12 ZINC000000471249 563624860 /nfs/dbraw/zinc/62/48/60/563624860.db2.gz AFDMKZBWSPXVRV-UHFFFAOYSA-N 0 0 311.293 3.589 50 5 DHBARN Cc1ccc(/C=C/C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000000476453 563624909 /nfs/dbraw/zinc/62/49/09/563624909.db2.gz JEVBRGXJTILCSF-FNORWQNLSA-N 0 0 306.705 3.802 50 5 DHBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1C[C@H]1c1ccccc1 ZINC000000483199 563636971 /nfs/dbraw/zinc/63/69/71/563636971.db2.gz BKRWITFCQFWHDZ-QWHCGFSZSA-N 0 0 316.744 3.990 50 5 DHBARN Cc1ccc(OCc2cc(F)cc3cccnc32)c([N+](=O)[O-])n1 ZINC000031613375 563796306 /nfs/dbraw/zinc/79/63/06/563796306.db2.gz JICAHHMSJOHQSB-UHFFFAOYSA-N 0 0 313.288 3.565 50 5 DHBARN O=[N+]([O-])c1ccc(Nc2ccc3c(c2)OCCO3)c2ccncc21 ZINC000012545197 563800273 /nfs/dbraw/zinc/80/02/73/563800273.db2.gz UZCBFFJWIXTCLZ-UHFFFAOYSA-N 0 0 323.308 3.658 50 5 DHBARN C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@@H](c2ccccc2)O1 ZINC000229775825 563831370 /nfs/dbraw/zinc/83/13/70/563831370.db2.gz IDIFVISGSORTQY-WFASDCNBSA-N 0 0 318.398 3.618 50 5 DHBARN CN(C)c1ccc([C@@H](C[N+](=O)[O-])Sc2ccccc2)cc1 ZINC000001448933 563836145 /nfs/dbraw/zinc/83/61/45/563836145.db2.gz MRVQLQCMYYWLEU-MRXNPFEDSA-N 0 0 302.399 3.863 50 5 DHBARN O=C(CCc1c[nH]c2ccccc12)OCc1cccc([N+](=O)[O-])c1 ZINC000006229915 563866739 /nfs/dbraw/zinc/86/67/39/563866739.db2.gz HFCCFWRWGTVLPH-UHFFFAOYSA-N 0 0 324.336 3.752 50 5 DHBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CSc2ccccc21 ZINC000118194556 563869537 /nfs/dbraw/zinc/86/95/37/563869537.db2.gz XGWJFGQUEHSKER-NSHDSACASA-N 0 0 318.329 3.562 50 5 DHBARN O=[N+]([O-])c1cc(Cl)ccc1N1CCN(c2ccccc2)CC1 ZINC000006896683 563898866 /nfs/dbraw/zinc/89/88/66/563898866.db2.gz IPPYLALOFUGZCZ-UHFFFAOYSA-N 0 0 317.776 3.575 50 5 DHBARN O=[N+]([O-])c1ccc(NCc2ccccc2)c(Br)c1 ZINC000037131241 563906395 /nfs/dbraw/zinc/90/63/95/563906395.db2.gz KFZNBRDIUGUIKO-UHFFFAOYSA-N 0 0 307.147 3.969 50 5 DHBARN CN(CCc1cccs1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152754841 563911230 /nfs/dbraw/zinc/91/12/30/563911230.db2.gz QZXMNTYATDDFKR-UHFFFAOYSA-N 0 0 324.789 3.624 50 5 DHBARN CSc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000013135413 563929364 /nfs/dbraw/zinc/92/93/64/563929364.db2.gz MYZJIQZVLXOORV-UHFFFAOYSA-N 0 0 324.308 3.847 50 5 DHBARN CSc1ccc(C(=O)Oc2ccccc2F)cc1[N+](=O)[O-] ZINC000013135466 563929374 /nfs/dbraw/zinc/92/93/74/563929374.db2.gz UUHDSOCQIAACHK-UHFFFAOYSA-N 0 0 307.302 3.675 50 5 DHBARN O=C(OCc1ccc([N+](=O)[O-])cc1)C(Cl)=C(Cl)Cl ZINC000003080877 563941930 /nfs/dbraw/zinc/94/19/30/563941930.db2.gz CSGGUSLSEOTICZ-UHFFFAOYSA-N 0 0 310.520 3.524 50 5 DHBARN CCCOP(=O)(OCCC)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000003178540 563942615 /nfs/dbraw/zinc/94/26/15/563942615.db2.gz GBOFDOYHHWNSTR-ZDUSSCGKSA-N 0 0 317.278 3.632 50 5 DHBARN O=[N+]([O-])c1ccc(N2CCCCC2)cc1NCc1cccnc1 ZINC000004187906 563945580 /nfs/dbraw/zinc/94/55/80/563945580.db2.gz LGDZMDLTVPDYDN-UHFFFAOYSA-N 0 0 312.373 3.592 50 5 DHBARN C[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000008054133 563946400 /nfs/dbraw/zinc/94/64/00/563946400.db2.gz DFGXMBMSUNWKIW-VIFPVBQESA-N 0 0 319.748 3.520 50 5 DHBARN C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@H](c2ccccc2)O1 ZINC000070696051 563957224 /nfs/dbraw/zinc/95/72/24/563957224.db2.gz IDIFVISGSORTQY-SWLSCSKDSA-N 0 0 318.398 3.618 50 5 DHBARN Cc1[nH]c2ccccc2c1C(=O)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000025254776 568417063 /nfs/dbraw/zinc/41/70/63/568417063.db2.gz CBDVHZLRPZNMOY-UHFFFAOYSA-N 0 0 323.352 3.657 50 5 DHBARN CCc1nc([C@H](C)NCc2cccc([N+](=O)[O-])c2C)cs1 ZINC000184716702 568417701 /nfs/dbraw/zinc/41/77/01/568417701.db2.gz WBTBMHWIHHVFCB-NSHDSACASA-N 0 0 305.403 3.773 50 5 DHBARN CCOc1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000000464503 1019922870 /nfs/dbraw/zinc/92/28/70/1019922870.db2.gz VBNKRCAIKJLXGG-KPKJPENVSA-N 0 0 312.325 3.645 50 5 DHBARN Nc1ccc([N+](=O)[O-])c(NCc2ccc(-c3ccncc3)cc2)c1 ZINC000328586307 231230673 /nfs/dbraw/zinc/23/06/73/231230673.db2.gz XAJZHMZYQYSYCJ-UHFFFAOYSA-N 0 0 320.352 3.851 50 5 DHBARN CCN(Cc1csc(C2CC2)n1)Cc1ccccc1[N+](=O)[O-] ZINC000089969296 185272232 /nfs/dbraw/zinc/27/22/32/185272232.db2.gz DJYDYFQFPSPNNK-UHFFFAOYSA-N 0 0 317.414 3.951 50 5 DHBARN O=C(NCc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000014790070 190640315 /nfs/dbraw/zinc/64/03/15/190640315.db2.gz WYCZMOYKSFCVRS-UHFFFAOYSA-N 0 0 324.258 3.544 50 5 DHBARN C[C@H](CNc1ccc([N+](=O)[O-])cn1)c1nc2ccccc2s1 ZINC000084640133 192450575 /nfs/dbraw/zinc/45/05/75/192450575.db2.gz WBDLWYPDMJSCBY-SNVBAGLBSA-N 0 0 314.370 3.815 50 5 DHBARN CCN(CC)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000038831 180674647 /nfs/dbraw/zinc/67/46/47/180674647.db2.gz ILACFEJISPLWOY-UHFFFAOYSA-N 0 0 313.357 3.693 50 5 in-vivo DHBARN CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000000303445 180753163 /nfs/dbraw/zinc/75/31/63/180753163.db2.gz GXXUGPFYIPSWNL-UHFFFAOYSA-N 0 0 312.354 3.564 50 5 DHBARN Cc1ccccc1OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000000443409 180792216 /nfs/dbraw/zinc/79/22/16/180792216.db2.gz PCFKFOZHTFXEQO-UHFFFAOYSA-N 0 0 311.297 3.532 50 5 DHBARN COc1c(Cl)cccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000472146 180801668 /nfs/dbraw/zinc/80/16/68/180801668.db2.gz AAXWTMOGSYCHJX-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN COc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1Cl ZINC000000473645 180801993 /nfs/dbraw/zinc/80/19/93/180801993.db2.gz AFJFONXRHKIAHO-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c(Cl)c1 ZINC000000859893 180836538 /nfs/dbraw/zinc/83/65/38/180836538.db2.gz KKYULENQOOQTKL-UHFFFAOYSA-N 0 0 308.696 3.948 50 5 DHBARN Cc1cc(C(=O)OCc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000001164515 180848615 /nfs/dbraw/zinc/84/86/15/180848615.db2.gz HWMUUKZRFSZLJC-UHFFFAOYSA-N 0 0 305.717 3.914 50 5 DHBARN CC(C)CCC[C@@H](C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000002829422 180962223 /nfs/dbraw/zinc/96/22/23/180962223.db2.gz LZSRJCVPEHLFLT-BRADTZPFSA-N 0 0 304.390 3.939 50 5 DHBARN O=[N+]([O-])c1c2nonc2ccc1Nc1cccc(C(F)(F)F)c1 ZINC000003879049 181051769 /nfs/dbraw/zinc/05/17/69/181051769.db2.gz IRUDMTDFNXURLI-UHFFFAOYSA-N 0 0 324.218 3.893 50 5 DHBARN CC(C)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000003833272 181047787 /nfs/dbraw/zinc/04/77/87/181047787.db2.gz HRZSFDBINOBHFE-UHFFFAOYSA-N 0 0 320.370 3.519 50 5 DHBARN O=C(COc1ccc([N+](=O)[O-])cc1)Oc1cccc2ccccc21 ZINC000003958849 181059647 /nfs/dbraw/zinc/05/96/47/181059647.db2.gz MURRLQDPWOCJRD-UHFFFAOYSA-N 0 0 323.304 3.732 50 5 DHBARN O=C(Nc1ccccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000004020487 181062789 /nfs/dbraw/zinc/06/27/89/181062789.db2.gz AJCXCBUKTRGNPX-UHFFFAOYSA-N 0 0 300.358 3.750 50 5 DHBARN O=[N+]([O-])c1ccc2c(c1)ncn2-c1ccc(Br)cc1 ZINC000004543035 181122531 /nfs/dbraw/zinc/12/25/31/181122531.db2.gz QHNATHYYHYCSIF-UHFFFAOYSA-N 0 0 318.130 3.696 50 5 DHBARN Cc1ccc(C)c(OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000004543201 181122652 /nfs/dbraw/zinc/12/26/52/181122652.db2.gz AAEKBOJFRNSMGF-UHFFFAOYSA-N 0 0 314.341 3.538 50 5 DHBARN COc1ccc(NC(=O)C[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000004602617 181129156 /nfs/dbraw/zinc/12/91/56/181129156.db2.gz GKDLXKWDSQTDCQ-GFCCVEGCSA-N 0 0 314.341 3.736 50 5 DHBARN CCOc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004652468 181131995 /nfs/dbraw/zinc/13/19/95/181131995.db2.gz CFSWNFYJKIPJHL-UHFFFAOYSA-N 0 0 320.732 3.899 50 5 DHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)Cc1c(F)cccc1Cl ZINC000004704415 181139696 /nfs/dbraw/zinc/13/96/96/181139696.db2.gz RJVVDJYMBAMGJJ-UHFFFAOYSA-N 0 0 322.723 3.877 50 5 DHBARN CCCCCC[C@@H](C)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000004702897 181139953 /nfs/dbraw/zinc/13/99/53/181139953.db2.gz QJWVNFRRLPATQJ-GFCCVEGCSA-N 0 0 308.378 3.692 50 5 DHBARN Cc1cc(C(=O)Nc2cccc(OC(C)C)c2)ccc1[N+](=O)[O-] ZINC000004855949 181163769 /nfs/dbraw/zinc/16/37/69/181163769.db2.gz OHKYZZKLNMURAE-UHFFFAOYSA-N 0 0 314.341 3.943 50 5 DHBARN CCOc1ccc(NC(=O)/C=C/c2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000004892521 181168410 /nfs/dbraw/zinc/16/84/10/181168410.db2.gz YGKPNLSLBQBBJB-VQHVLOKHSA-N 0 0 316.313 3.547 50 5 DHBARN CCc1ccc(NC(=O)c2noc(C(C)C)c2[N+](=O)[O-])cc1 ZINC000004937495 181175817 /nfs/dbraw/zinc/17/58/17/181175817.db2.gz UMIXBIQQTYKPGZ-UHFFFAOYSA-N 0 0 303.318 3.521 50 5 DHBARN O=C(/C=C/c1ccccc1Cl)Nc1ccc([N+](=O)[O-])cc1 ZINC000004996940 181187338 /nfs/dbraw/zinc/18/73/38/181187338.db2.gz YPPIRROIBPFBPP-BJMVGYQFSA-N 0 0 302.717 3.900 50 5 DHBARN CCOc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1Cl ZINC000005051294 181196926 /nfs/dbraw/zinc/19/69/26/181196926.db2.gz OKAMERALLQAISH-UHFFFAOYSA-N 0 0 320.732 3.899 50 5 DHBARN COc1ccc(Cl)cc1C(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000005093697 181203304 /nfs/dbraw/zinc/20/33/04/181203304.db2.gz JMCNPYGVDUQMQC-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN Cc1ccccc1NC(=O)CSc1ccsc1[N+](=O)[O-] ZINC000005136695 181207853 /nfs/dbraw/zinc/20/78/53/181207853.db2.gz KICACNOHWYSQPY-UHFFFAOYSA-N 0 0 308.384 3.696 50 5 DHBARN CCc1nc2oc3ccccc3c(=O)c2c2nc3ccccc3n21 ZINC000005207145 181217215 /nfs/dbraw/zinc/21/72/15/181217215.db2.gz HYKZSSNEJOHNCY-UHFFFAOYSA-N 0 0 315.332 3.705 50 5 DHBARN COc1ccc(OCc2ccc(SC)cc2)c([N+](=O)[O-])c1 ZINC000005429561 181242781 /nfs/dbraw/zinc/24/27/81/181242781.db2.gz XYZNVZPTRCGOOD-UHFFFAOYSA-N 0 0 305.355 3.904 50 5 DHBARN O=C(OCC12CC3CC(CC(C3)C1)C2)c1cccc([N+](=O)[O-])c1 ZINC000005446710 181244048 /nfs/dbraw/zinc/24/40/48/181244048.db2.gz XPGLRVRUTWAWJD-UHFFFAOYSA-N 0 0 315.369 3.968 50 5 DHBARN CC(C)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005613815 181264174 /nfs/dbraw/zinc/26/41/74/181264174.db2.gz SUBPOFXFXVJKDA-UHFFFAOYSA-N 0 0 312.325 3.686 50 5 DHBARN O=[N+]([O-])c1cc(COc2ccc(Cl)cc2)c2c(c1)COCO2 ZINC000005752598 181280906 /nfs/dbraw/zinc/28/09/06/181280906.db2.gz IREXCORRVSOMJW-UHFFFAOYSA-N 0 0 321.716 3.694 50 5 DHBARN C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)c1c[nH]c2ccccc12 ZINC000005869570 181291862 /nfs/dbraw/zinc/29/18/62/181291862.db2.gz FUJLCUHYASALFS-NSHDSACASA-N 0 0 310.309 3.726 50 5 DHBARN O=C(Nc1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])s1 ZINC000006329473 181330159 /nfs/dbraw/zinc/33/01/59/181330159.db2.gz BHEDZXOPHFBZPF-UHFFFAOYSA-N 0 0 314.269 3.510 50 5 DHBARN CCCc1cc(=O)[nH]c(C(=Cc2csc([N+](=O)[O-])c2)CC)n1 ZINC000193615857 201087441 /nfs/dbraw/zinc/08/74/41/201087441.db2.gz UDVVYPCMIDXMNV-IZZDOVSWSA-N 0 0 319.386 3.643 50 5 DHBARN O=[N+]([O-])c1cc(Br)cc(NCc2ccccc2)c1 ZINC000261493670 203073793 /nfs/dbraw/zinc/07/37/93/203073793.db2.gz GVBKXDZAVRZMSI-UHFFFAOYSA-N 0 0 307.147 3.969 50 5 DHBARN CSc1ccc(Oc2nc3sccn3c2[N+](=O)[O-])cc1 ZINC000008337253 181550321 /nfs/dbraw/zinc/55/03/21/181550321.db2.gz OVNUWBPFVGYETO-UHFFFAOYSA-N 0 0 307.356 3.818 50 5 DHBARN O=c1oc2ccccc2c(Nc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000013658159 181875163 /nfs/dbraw/zinc/87/51/63/181875163.db2.gz NSVSEWGRISHYRM-UHFFFAOYSA-N 0 0 300.245 3.584 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@H]2C=CCCCC[C@H]21 ZINC000018323077 182101332 /nfs/dbraw/zinc/10/13/32/182101332.db2.gz VSOZXAHPNMJONZ-SQWLQELKSA-N 0 0 300.358 3.834 50 5 DHBARN Cc1ccc(NC(=O)CSc2ccsc2[N+](=O)[O-])cc1 ZINC000020388763 182213571 /nfs/dbraw/zinc/21/35/71/182213571.db2.gz VFUBPBFDMSRQDP-UHFFFAOYSA-N 0 0 308.384 3.696 50 5 DHBARN CCc1noc(-c2ccc(NC3CCCCC3)c([N+](=O)[O-])c2)n1 ZINC000020897978 182252343 /nfs/dbraw/zinc/25/23/43/182252343.db2.gz KUYRNPQTGXNWGE-UHFFFAOYSA-N 0 0 316.361 3.952 50 5 DHBARN O=c1cc(-c2ccc(Cl)cc2)[nH]c2ccc([N+](=O)[O-])cc12 ZINC000021657985 182282636 /nfs/dbraw/zinc/28/26/36/182282636.db2.gz PPYNHHKVGXWFIM-UHFFFAOYSA-N 0 0 300.701 3.757 50 5 DHBARN O=[N+]([O-])c1ccc(CN2CC=C(c3ccc(F)cc3)CC2)o1 ZINC000023280729 182355995 /nfs/dbraw/zinc/35/59/95/182355995.db2.gz ASINYSZNXDAHAF-UHFFFAOYSA-N 0 0 302.305 3.616 50 5 DHBARN Cc1cccc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])c1 ZINC000031553620 182615598 /nfs/dbraw/zinc/61/55/98/182615598.db2.gz TZTCMAPEIONLSY-UHFFFAOYSA-N 0 0 314.341 3.619 50 5 DHBARN O=[N+]([O-])c1cccnc1Nc1cccc(OCc2ccccn2)c1 ZINC000032923545 182681571 /nfs/dbraw/zinc/68/15/71/182681571.db2.gz ZTGXUMWSGBSWRS-UHFFFAOYSA-N 0 0 322.324 3.707 50 5 DHBARN O=[N+]([O-])c1c(N2CCC[C@H]2c2ccsc2)nc2sccn21 ZINC000040153686 183040580 /nfs/dbraw/zinc/04/05/80/183040580.db2.gz AYMQIQDRSACMTA-JTQLQIEISA-N 0 0 320.399 3.707 50 5 DHBARN Cc1ccc(NC(=O)N(C)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000040095664 183034268 /nfs/dbraw/zinc/03/42/68/183034268.db2.gz KKISLRDTLZXRGX-UHFFFAOYSA-N 0 0 317.320 3.706 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)c1ccccc1 ZINC000040095705 183034386 /nfs/dbraw/zinc/03/43/86/183034386.db2.gz PQKJQDWTSKOBFG-ZDUSSCGKSA-N 0 0 313.357 3.828 50 5 DHBARN COC(=O)c1ccccc1SCc1ccc([N+](=O)[O-])cc1 ZINC000043927661 183389793 /nfs/dbraw/zinc/38/97/93/183389793.db2.gz WRWPCXWUVFOCFZ-UHFFFAOYSA-N 0 0 303.339 3.674 50 5 DHBARN Cc1nn(C(C)C)c(C)c1NC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000056341546 184010906 /nfs/dbraw/zinc/01/09/06/184010906.db2.gz IUCBSYTWGNHVTL-UHFFFAOYSA-N 0 0 317.349 3.633 50 5 DHBARN C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000065603978 184371788 /nfs/dbraw/zinc/37/17/88/184371788.db2.gz QZIVCTMCCVQBAW-SKDRFNHKSA-N 0 0 311.769 3.948 50 5 DHBARN O=C(Nc1nc(C2CCC2)cs1)c1ccc(F)cc1[N+](=O)[O-] ZINC000277794616 257257545 /nfs/dbraw/zinc/25/75/45/257257545.db2.gz VOKJNEFFJLCPIA-UHFFFAOYSA-N 0 0 321.333 3.710 50 5 DHBARN COc1ccc(C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000059201 331458617 /nfs/dbraw/zinc/45/86/17/331458617.db2.gz XUVVNCWHABEWGN-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN CCc1nc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cs1 ZINC000192845325 341892292 /nfs/dbraw/zinc/89/22/92/341892292.db2.gz HSFNWNRUWFHJOM-OAHLLOKOSA-N 0 0 317.414 3.781 50 5 DHBARN CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000000305101 563586709 /nfs/dbraw/zinc/58/67/09/563586709.db2.gz IQRZYQIILDQKBF-UHFFFAOYSA-N 0 0 304.733 3.915 50 5 DHBARN O=[N+]([O-])c1c(N2CCC[C@H]2c2ccccc2)nc2ccccn21 ZINC000032888392 563408432 /nfs/dbraw/zinc/40/84/32/563408432.db2.gz HCQLHHWMJIHQIG-AWEZNQCLSA-N 0 0 308.341 3.584 50 5 DHBARN Cc1cccc(C(=O)N[C@H](c2ccccc2)C2CC2)c1[N+](=O)[O-] ZINC000011210432 563483037 /nfs/dbraw/zinc/48/30/37/563483037.db2.gz SDPNXFMWNJZGGH-MRXNPFEDSA-N 0 0 310.353 3.784 50 5 DHBARN O=C(COc1ccc2ccccc2c1)Nc1cccc([N+](=O)[O-])c1 ZINC000000059862 563513372 /nfs/dbraw/zinc/51/33/72/563513372.db2.gz MWCLATJWMYNHCL-UHFFFAOYSA-N 0 0 322.320 3.766 50 5 DHBARN C[C@@H](Nc1cnn(CC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000097038451 563516921 /nfs/dbraw/zinc/51/69/21/563516921.db2.gz HWYTYDUZRIAYPD-SECBINFHSA-N 0 0 314.267 3.527 50 5 DHBARN COc1ccc(-c2noc(-c3cccc([N+](=O)[O-])c3C)n2)cc1 ZINC000000078899 563520274 /nfs/dbraw/zinc/52/02/74/563520274.db2.gz LEDXKSDHGGFHLA-UHFFFAOYSA-N 0 0 311.297 3.629 50 5 DHBARN O=[N+]([O-])c1cc(Cl)c(Cl)cc1I ZINC000096024837 563531257 /nfs/dbraw/zinc/53/12/57/563531257.db2.gz RNUAKXBFFAYDRV-UHFFFAOYSA-N 0 0 317.897 3.506 50 5 DHBARN CCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000000102217 563543326 /nfs/dbraw/zinc/54/33/26/563543326.db2.gz ZKMGGLMYUVPHEJ-UHFFFAOYSA-N 0 0 300.314 3.554 50 5 DHBARN Cc1ccc(-c2csc(=N)n2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000144128 563572486 /nfs/dbraw/zinc/57/24/86/563572486.db2.gz LZHPWNBFIANKIT-UHFFFAOYSA-N 0 0 311.366 3.902 50 5 DHBARN CC(C)=CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000000148985 563572705 /nfs/dbraw/zinc/57/27/05/563572705.db2.gz HFOTWGDWNKBFGX-UHFFFAOYSA-N 0 0 303.343 3.623 50 5 DHBARN O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1C1CCCCC1 ZINC000000180264 563575614 /nfs/dbraw/zinc/57/56/14/563575614.db2.gz QVHCHTNCTBYPLL-OAHLLOKOSA-N 0 0 306.387 3.502 50 5 DHBARN Cc1nnc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000000240333 563580957 /nfs/dbraw/zinc/58/09/57/563580957.db2.gz UCOYCRPGTZHGKC-UHFFFAOYSA-N 0 0 321.305 3.925 50 5 DHBARN CC(C)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000299266 563584658 /nfs/dbraw/zinc/58/46/58/563584658.db2.gz LKNYBGVGNKFLIE-UHFFFAOYSA-N 0 0 320.370 3.519 50 5 DHBARN Cc1ccc(C)c(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)c1 ZINC000000340254 563589001 /nfs/dbraw/zinc/58/90/01/563589001.db2.gz RBGIFCCSAILHKF-YBEGLDIGSA-N 0 0 322.320 3.556 50 5 DHBARN O=[N+]([O-])c1cc(Cl)cnc1N[C@H](c1cccnc1)C1CC1 ZINC000340075985 563589609 /nfs/dbraw/zinc/58/96/09/563589609.db2.gz IZYDSNJYFCUTNJ-ZDUSSCGKSA-N 0 0 304.737 3.601 50 5 DHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(Cl)c1 ZINC000000437889 563613895 /nfs/dbraw/zinc/61/38/95/563613895.db2.gz NFFFMCZJUMJFTH-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1[N+](=O)[O-] ZINC000000441751 563614965 /nfs/dbraw/zinc/61/49/65/563614965.db2.gz BOARUGOVBNUXKK-UHFFFAOYSA-N 0 0 314.341 3.781 50 5 DHBARN CCc1cccc(CC)c1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000000474453 563624264 /nfs/dbraw/zinc/62/42/64/563624264.db2.gz SHNLJPFPURCLFE-UHFFFAOYSA-N 0 0 324.336 3.520 50 5 DHBARN C[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000000476693 563624855 /nfs/dbraw/zinc/62/48/55/563624855.db2.gz MLDMJZRRPMBOLN-JTQLQIEISA-N 0 0 304.733 3.990 50 5 DHBARN O=C(N[C@H]1CCCc2occc21)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110312832 563677574 /nfs/dbraw/zinc/67/75/74/563677574.db2.gz YRGAEVDKZJCBTB-NSHDSACASA-N 0 0 320.732 3.649 50 5 DHBARN O=[N+]([O-])c1ccc(Nc2ccc3c(c2)OCCO3)c2ncccc12 ZINC000048332318 563697049 /nfs/dbraw/zinc/69/70/49/563697049.db2.gz DEOFFDIZEZCKMZ-UHFFFAOYSA-N 0 0 323.308 3.658 50 5 DHBARN COc1ccc(C=O)cc1COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000000614347 563698628 /nfs/dbraw/zinc/69/86/28/563698628.db2.gz OSKSQGFTVLHJLI-UHFFFAOYSA-N 0 0 321.716 3.648 50 5 DHBARN O=[N+]([O-])c1ccc(CSc2ncc(-c3ccccc3)nn2)cc1 ZINC000001117061 563788931 /nfs/dbraw/zinc/78/89/31/563788931.db2.gz VYAICMNNHNEYSV-UHFFFAOYSA-N 0 0 324.365 3.739 50 5 DHBARN Cc1cc(C(=O)Nc2cccc(-c3cc[nH]n3)c2)ccc1[N+](=O)[O-] ZINC000031588960 563796186 /nfs/dbraw/zinc/79/61/86/563796186.db2.gz MZORIKXWVGUCRL-UHFFFAOYSA-N 0 0 322.324 3.546 50 5 DHBARN CC(=O)OCc1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1C ZINC000001421010 563823012 /nfs/dbraw/zinc/82/30/12/563823012.db2.gz HPLRZGABLIDBIC-UHFFFAOYSA-N 0 0 324.336 3.817 50 5 DHBARN O=[N+]([O-])c1ccccc1C1=NC(=S)N[C@H](c2ccccc2)C1 ZINC000075283114 563862737 /nfs/dbraw/zinc/86/27/37/563862737.db2.gz CDLUVLQRHRWFNV-ZDUSSCGKSA-N 0 0 311.366 3.566 50 5 DHBARN O=C(Nc1cccc2c1CCCC2)c1ccc([N+](=O)[O-])s1 ZINC000013009782 563875559 /nfs/dbraw/zinc/87/55/59/563875559.db2.gz FTGNHEHWJWPIIN-UHFFFAOYSA-N 0 0 302.355 3.787 50 5 DHBARN CC(=O)c1ccc(OC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000001753510 563877495 /nfs/dbraw/zinc/87/74/95/563877495.db2.gz DBJMNKBVYHMWRJ-UHFFFAOYSA-N 0 0 318.260 3.547 50 5 DHBARN CO[C@H](C)c1nc(COc2cccc(C)c2[N+](=O)[O-])cs1 ZINC000089688893 563910950 /nfs/dbraw/zinc/91/09/50/563910950.db2.gz RTIXWGVCIIEYDX-SNVBAGLBSA-N 0 0 308.359 3.646 50 5 DHBARN O=C(Nc1cc(F)ccc1F)OCc1ccccc1[N+](=O)[O-] ZINC000002156158 563916090 /nfs/dbraw/zinc/91/60/90/563916090.db2.gz VMJOPXKKZSQFKJ-UHFFFAOYSA-N 0 0 308.240 3.622 50 5 DHBARN O=C(CNc1cccc([N+](=O)[O-])c1)Nc1ccc2ccccc2c1 ZINC000007954308 563929448 /nfs/dbraw/zinc/92/94/48/563929448.db2.gz HCRZYPJSIRFELN-UHFFFAOYSA-N 0 0 321.336 3.799 50 5 DHBARN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC000002660107 563940112 /nfs/dbraw/zinc/94/01/12/563940112.db2.gz UHWNVRNVKNHZPM-UHFFFAOYSA-N 0 0 310.231 3.866 50 5 DHBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(Cl)s1 ZINC000002760965 563940735 /nfs/dbraw/zinc/94/07/35/563940735.db2.gz DMBYJFJRXWDSMS-UHFFFAOYSA-N 0 0 300.698 3.701 50 5 DHBARN O=[N+]([O-])c1cccc(Cl)c1[C@@H]1NN=C(c2ccccc2)S1 ZINC000002916116 563941038 /nfs/dbraw/zinc/94/10/38/563941038.db2.gz PTTSYUJAIGANTB-CQSZACIVSA-N 0 0 319.773 3.945 50 5 DHBARN CC(C)(C)c1csc(NC(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000003210520 563942878 /nfs/dbraw/zinc/94/28/78/563942878.db2.gz WXROOWUBLQLPCC-UHFFFAOYSA-N 0 0 311.388 3.663 50 5 DHBARN COc1cc([N+](=O)[O-])ccc1Sc1nc2ccccc2[nH]1 ZINC000030835680 563943948 /nfs/dbraw/zinc/94/39/48/563943948.db2.gz XEOAKJOVVMUKLR-UHFFFAOYSA-N 0 0 301.327 3.631 50 5 DHBARN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000008062412 563946508 /nfs/dbraw/zinc/94/65/08/563946508.db2.gz SOPKFGSROCDCQX-LLVKDONJSA-N 0 0 310.309 3.832 50 5 DHBARN CCCOc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000008560952 563949123 /nfs/dbraw/zinc/94/91/23/563949123.db2.gz NVKJFIJDIAXZDM-UHFFFAOYSA-N 0 0 314.341 3.944 50 5 DHBARN C[C@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000009153984 563953549 /nfs/dbraw/zinc/95/35/49/563953549.db2.gz OEBNGSKXGMIQJW-JTQLQIEISA-N 0 0 304.371 3.824 50 5 DHBARN c1ccc2c(c1)c1nc3ccccc3nc1n2CCC1OCCO1 ZINC000009419376 563955759 /nfs/dbraw/zinc/95/57/59/563955759.db2.gz RXRFXNHNHWDQLA-UHFFFAOYSA-N 0 0 319.364 3.501 50 5 DHBARN O=C(Nc1ccc(Cl)c(Cl)n1)c1ccc([N+](=O)[O-])s1 ZINC000188896116 563961988 /nfs/dbraw/zinc/96/19/88/563961988.db2.gz ASZRWSZDLPLKSB-UHFFFAOYSA-N 0 0 318.141 3.610 50 5 DHBARN Cc1cc(C(C)(C)C)cc(C)c1Cn1cc([N+](=O)[O-])ccc1=O ZINC000012980068 568418462 /nfs/dbraw/zinc/41/84/62/568418462.db2.gz XQKCWTLCBQSGEM-UHFFFAOYSA-N 0 0 314.385 3.719 50 5 DHBARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000000179939 1016778365 /nfs/dbraw/zinc/77/83/65/1016778365.db2.gz QMLFQXOVHUKFMP-MRXNPFEDSA-N 0 0 314.366 3.682 50 5 DHBARN CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000189073 1016783580 /nfs/dbraw/zinc/78/35/80/1016783580.db2.gz IAAJMOPIVNWXGQ-QGZVFWFLSA-N 0 0 323.352 3.683 50 5 DHBARN Cc1ccc(N2C(=O)CS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000180078 1016784099 /nfs/dbraw/zinc/78/40/99/1016784099.db2.gz AVWLSBMPINCXEE-INIZCTEOSA-N 0 0 314.366 3.682 50 5 DHBARN COc1ccc(Cl)cc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000000465145 1019923831 /nfs/dbraw/zinc/92/38/31/1019923831.db2.gz AMGYLMGZYDCPDY-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN Cc1nnc(SCc2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000000468376 1019924303 /nfs/dbraw/zinc/92/43/03/1019924303.db2.gz MPIDFDKCGQBSBK-UHFFFAOYSA-N 0 0 301.780 3.700 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(F)cc1 ZINC000000461674 1019925769 /nfs/dbraw/zinc/92/57/69/1019925769.db2.gz OCDFKUYOLSOEHZ-WEVVVXLNSA-N 0 0 300.289 3.694 50 5 DHBARN CC(C)c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000006919555 1035007891 /nfs/dbraw/zinc/00/78/91/1035007891.db2.gz JLUKLGXGNXLGKM-UHFFFAOYSA-N 0 0 320.370 3.519 50 5 DHBARN Cc1cnc(N2CCC[C@H]2c2nc3ccccc3[nH]2)c([N+](=O)[O-])c1 ZINC000095411531 185357414 /nfs/dbraw/zinc/35/74/14/185357414.db2.gz NUQJDGPBPKEDMY-AWEZNQCLSA-N 0 0 323.356 3.516 50 5 DHBARN CCn1c2ccccc2n2cc(-c3ccc([N+](=O)[O-])cc3)nc21 ZINC000000273008 180744654 /nfs/dbraw/zinc/74/46/54/180744654.db2.gz KGBMVTBXAZWXOK-UHFFFAOYSA-N 0 0 306.325 3.884 50 5 DHBARN Cn1cnc([N+](=O)[O-])c1Sc1cc(Cl)cc(Cl)c1 ZINC000000480501 180804233 /nfs/dbraw/zinc/80/42/33/180804233.db2.gz QFRRPMPTAADUTQ-UHFFFAOYSA-N 0 0 304.158 3.786 50 5 DHBARN Cc1c(C(=O)Nc2cccc3ncccc32)cccc1[N+](=O)[O-] ZINC000000556414 180820757 /nfs/dbraw/zinc/82/07/57/180820757.db2.gz RZOLLLFYPRUANU-UHFFFAOYSA-N 0 0 307.309 3.704 50 5 DHBARN O=[N+]([O-])c1c2ccccn2c(-c2ccccn2)c1-c1ccccn1 ZINC000000620031 180831277 /nfs/dbraw/zinc/83/12/77/180831277.db2.gz SROATLCNGGVPGU-UHFFFAOYSA-N 0 0 316.320 3.972 50 5 DHBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2ccccc2c1 ZINC000001230028 180850601 /nfs/dbraw/zinc/85/06/01/180850601.db2.gz KPDFHLSRJCZUTL-UHFFFAOYSA-N 0 0 306.321 3.929 50 5 DHBARN COc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000001599007 180877655 /nfs/dbraw/zinc/87/76/55/180877655.db2.gz ZZFDGUCCHZJOQB-GORDUTHDSA-N 0 0 300.270 3.682 50 5 DHBARN O=C(CSc1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002642603 180943084 /nfs/dbraw/zinc/94/30/84/180943084.db2.gz KTLUYBOVDMSDAU-UHFFFAOYSA-N 0 0 322.773 3.979 50 5 DHBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1csc2c1CCCC2 ZINC000003417478 181016979 /nfs/dbraw/zinc/01/69/79/181016979.db2.gz ASYBJFOUMMUYLM-UHFFFAOYSA-N 0 0 317.366 3.892 50 5 DHBARN O=[N+]([O-])c1cc(COc2ccccc2Cl)c2c(c1)COCO2 ZINC000003523593 181030127 /nfs/dbraw/zinc/03/01/27/181030127.db2.gz KSPMKQUBVIITMT-UHFFFAOYSA-N 0 0 321.716 3.694 50 5 DHBARN Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000003524182 181030138 /nfs/dbraw/zinc/03/01/38/181030138.db2.gz KVYKZOIBYUNRJQ-MRXNPFEDSA-N 0 0 310.353 3.711 50 5 DHBARN CCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004040997 181066137 /nfs/dbraw/zinc/06/61/37/181066137.db2.gz PPUHJWPOWGAWIV-LFYBBSHMSA-N 0 0 312.325 3.645 50 5 DHBARN O=C(NC1CCCCC1)c1cccc2nc3ccccc3nc21 ZINC000004426038 181108997 /nfs/dbraw/zinc/10/89/97/181108997.db2.gz COGDTQXFONCSLB-UHFFFAOYSA-N 0 0 305.381 3.846 50 5 DHBARN CC[C@@H](C)C(=O)Nc1ccc(NC(=O)[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000004427939 181109371 /nfs/dbraw/zinc/10/93/71/181109371.db2.gz JQOACDYRPWMVDS-WDEREUQCSA-N 0 0 321.377 3.564 50 5 DHBARN CC(C)COc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000004544116 181122460 /nfs/dbraw/zinc/12/24/60/181122460.db2.gz RHTXQZWQFFTUKX-UHFFFAOYSA-N 0 0 314.341 3.882 50 5 DHBARN C/C(=C\c1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000004600427 181128847 /nfs/dbraw/zinc/12/88/47/181128847.db2.gz DPEGLSWWLURPAX-PKNBQFBNSA-N 0 0 300.289 3.776 50 5 DHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(F)cc1 ZINC000004603502 181129557 /nfs/dbraw/zinc/12/95/57/181129557.db2.gz PAGJZNFKEQFUFC-RUDMXATFSA-N 0 0 300.289 3.694 50 5 DHBARN Cc1cccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1C ZINC000004699718 181139272 /nfs/dbraw/zinc/13/92/72/181139272.db2.gz SXKDYYMSIZEPGO-UHFFFAOYSA-N 0 0 314.341 3.538 50 5 DHBARN Cn1cc(Cc2ccccc2)c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] ZINC000004709205 181140520 /nfs/dbraw/zinc/14/05/20/181140520.db2.gz COWFYFURBGDEIN-UHFFFAOYSA-N 0 0 311.297 3.586 50 5 DHBARN CC(C)(C)C(=O)COc1ccc2c(c1)oc(=O)c1ccccc21 ZINC000004749538 181147763 /nfs/dbraw/zinc/14/77/63/181147763.db2.gz CDEKPLOTBBKKJS-UHFFFAOYSA-N 0 0 310.349 3.940 50 5 DHBARN CN(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004800838 181153230 /nfs/dbraw/zinc/15/32/30/181153230.db2.gz DYDWUMGRRHECEW-UHFFFAOYSA-N 0 0 319.748 3.912 50 5 DHBARN Cn1ccnc1SCc1cc(=O)oc2ccc3ccccc3c12 ZINC000004804659 181153941 /nfs/dbraw/zinc/15/39/41/181153941.db2.gz HTTCUHDVGNDKLR-UHFFFAOYSA-N 0 0 322.389 3.972 50 5 DHBARN CCN(CC)C(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000004833847 181159346 /nfs/dbraw/zinc/15/93/46/181159346.db2.gz JQSPQEAHYDFNSN-UHFFFAOYSA-N 0 0 314.341 3.869 50 5 DHBARN O=C(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000004872516 181167226 /nfs/dbraw/zinc/16/72/26/181167226.db2.gz FOGXBXSNQIBSOE-UHFFFAOYSA-N 0 0 310.231 3.866 50 5 DHBARN CSc1ccc(C(=O)N2CCC(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000076041781 191558648 /nfs/dbraw/zinc/55/86/48/191558648.db2.gz JHEWYWFXPUCJDW-UHFFFAOYSA-N 0 0 322.430 3.825 50 5 DHBARN CC(=O)c1cc(Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005061418 181199239 /nfs/dbraw/zinc/19/92/39/181199239.db2.gz NYVMCRMFOBXDNO-UHFFFAOYSA-N 0 0 319.700 3.670 50 5 DHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(SC)cc1 ZINC000005222863 181218421 /nfs/dbraw/zinc/21/84/21/181218421.db2.gz KGEYQNNZJSTIKY-UHFFFAOYSA-N 0 0 318.354 3.578 50 5 DHBARN [O-][n+]1c2ccccc2nc2cc3nc(-c4ccccc4)[nH]c3cc21 ZINC000005318693 181229018 /nfs/dbraw/zinc/22/90/18/181229018.db2.gz BTLMEZRHQGNAFN-UHFFFAOYSA-N 0 0 312.332 3.565 50 5 DHBARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc([N+](=O)[O-])cc1 ZINC000005612495 181263544 /nfs/dbraw/zinc/26/35/44/181263544.db2.gz XBFPNOLFDVFXPB-UHFFFAOYSA-N 0 0 314.385 3.541 50 5 DHBARN O=[N+]([O-])c1ccc(CSc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000005731494 181278604 /nfs/dbraw/zinc/27/86/04/181278604.db2.gz NPLDNIQZLKVHLQ-UHFFFAOYSA-N 0 0 312.354 3.672 50 5 DHBARN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000005794613 181284412 /nfs/dbraw/zinc/28/44/12/181284412.db2.gz VAPSZZZZVHOMKT-CYBMUJFWSA-N 0 0 314.341 3.618 50 5 DHBARN Cc1cccc(C(=O)Nc2ccccc2OC(F)F)c1[N+](=O)[O-] ZINC000006329520 181330389 /nfs/dbraw/zinc/33/03/89/181330389.db2.gz INHWWSIIGSSDJF-UHFFFAOYSA-N 0 0 322.267 3.757 50 5 DHBARN CCNC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000006561293 181354953 /nfs/dbraw/zinc/35/49/53/181354953.db2.gz QXBCUTGYOUUDLC-UHFFFAOYSA-N 0 0 316.382 3.804 50 5 DHBARN Cc1nn(C)c(C)c1/C=C/c1ccc2cccc([N+](=O)[O-])c2n1 ZINC000006653220 181365826 /nfs/dbraw/zinc/36/58/26/181365826.db2.gz POIXMPCOWKKWDZ-MDZDMXLPSA-N 0 0 308.341 3.664 50 5 DHBARN CCCCOCO[C@H]1C/C(=C/c2ccc([N+](=O)[O-])cc2)CO1 ZINC000261492311 203074219 /nfs/dbraw/zinc/07/42/19/203074219.db2.gz SNIJPYCORVXKBK-MBSJSRAVSA-N 0 0 307.346 3.515 50 5 DHBARN O=[N+]([O-])c1cnc(N2CCCCC[C@H]2/C=C/c2ccccc2)nc1 ZINC000095945018 193454819 /nfs/dbraw/zinc/45/48/19/193454819.db2.gz RRTALPJUPGMPJL-OFAQMXQXSA-N 0 0 324.384 3.847 50 5 DHBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1cccnc1 ZINC000012644533 181784773 /nfs/dbraw/zinc/78/47/73/181784773.db2.gz RUWDOZXBERYSML-UHFFFAOYSA-N 0 0 311.263 3.663 50 5 DHBARN CN(C)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000017055129 182072573 /nfs/dbraw/zinc/07/25/73/182072573.db2.gz CPBPDFJEPBQNCF-UHFFFAOYSA-N 0 0 319.748 3.567 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1[C@H]2CCC=CCC[C@H]12 ZINC000018010441 182089518 /nfs/dbraw/zinc/08/95/18/182089518.db2.gz RXQQVOZRUATOPJ-KBPBESRZSA-N 0 0 300.358 3.834 50 5 DHBARN Cc1ccccc1CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000018832328 182102408 /nfs/dbraw/zinc/10/24/08/182102408.db2.gz KNFLRTLBAUQUCV-UHFFFAOYSA-N 0 0 318.760 3.529 50 5 DHBARN CCN(Cc1cccs1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000018181981 182096802 /nfs/dbraw/zinc/09/68/02/182096802.db2.gz OVHBDLIIXPVPOP-UHFFFAOYSA-N 0 0 305.359 3.710 50 5 DHBARN O=[N+]([O-])c1ccc(OCc2ccccc2)cc1Br ZINC000019872989 182159168 /nfs/dbraw/zinc/15/91/68/182159168.db2.gz GMVGSGXEYKPCSS-UHFFFAOYSA-N 0 0 308.131 3.936 50 5 in-vitro DHBARN Cc1noc(-c2ccc(NCCc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000020897937 182252288 /nfs/dbraw/zinc/25/22/88/182252288.db2.gz HSGVAVZQTBQFGH-UHFFFAOYSA-N 0 0 324.340 3.608 50 5 DHBARN CN(Cc1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])cn1 ZINC000022804419 182335710 /nfs/dbraw/zinc/33/57/10/182335710.db2.gz IKBUBMBPJAYDGL-UHFFFAOYSA-N 0 0 312.156 3.933 50 5 DHBARN Cc1sc(C(=O)N2c3ccccc3C[C@H]2C)cc1[N+](=O)[O-] ZINC000024442406 182380863 /nfs/dbraw/zinc/38/08/63/182380863.db2.gz DPWRWINYVSVJRY-SECBINFHSA-N 0 0 302.355 3.556 50 5 DHBARN O=[N+]([O-])c1cccc(OCc2cc(-c3cccs3)on2)c1 ZINC000025394769 182412850 /nfs/dbraw/zinc/41/28/50/182412850.db2.gz CDUIZNJBSRHLBY-UHFFFAOYSA-N 0 0 302.311 3.890 50 5 DHBARN CCc1ccc([C@@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000032978683 182685917 /nfs/dbraw/zinc/68/59/17/182685917.db2.gz BFJCGUJUYDABRC-CYBMUJFWSA-N 0 0 312.369 3.577 50 5 DHBARN O=[N+]([O-])c1ccc(C=C(Br)Br)cc1 ZINC000038529510 183001397 /nfs/dbraw/zinc/00/13/97/183001397.db2.gz FLWBELGVSNXZJF-UHFFFAOYSA-N 0 0 306.941 3.683 50 5 DHBARN Cc1ccc(OCc2cccc([N+](=O)[O-])c2C)c([N+](=O)[O-])c1 ZINC000040116508 183037021 /nfs/dbraw/zinc/03/70/21/183037021.db2.gz MDDSMTJXEHZBBC-UHFFFAOYSA-N 0 0 302.286 3.699 50 5 DHBARN Cc1c(NC(=O)N(Cc2ccco2)C2CC2)cccc1[N+](=O)[O-] ZINC000065589797 184369203 /nfs/dbraw/zinc/36/92/03/184369203.db2.gz AITSRRJBBKGNPD-UHFFFAOYSA-N 0 0 315.329 3.693 50 5 DHBARN CN(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000000129332 257254882 /nfs/dbraw/zinc/25/48/82/257254882.db2.gz WARFWXCNDBUQJF-UHFFFAOYSA-N 0 0 319.748 3.567 50 5 aggregator DHBARN CC(=O)Nc1cc([N+](=O)[O-])cc(C)c1OCc1ccc(C)cc1 ZINC000334160829 257262793 /nfs/dbraw/zinc/26/27/93/257262793.db2.gz NCFOQPQNBKYKGY-UHFFFAOYSA-N 0 0 314.341 3.749 50 5 DHBARN C[C@@H](c1cccs1)N(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000017744461 331575581 /nfs/dbraw/zinc/57/55/81/331575581.db2.gz XHQGINLKXPDNKK-JTQLQIEISA-N 0 0 305.359 3.881 50 5 DHBARN C[C@@H]([C@H](Sc1ccccc1N)c1ccc(F)cc1)[N+](=O)[O-] ZINC000000101697 563543194 /nfs/dbraw/zinc/54/31/94/563543194.db2.gz IAUBGYJDSOMRFE-BONVTDFDSA-N 0 0 306.362 3.907 50 5 DHBARN O=C(/C=C/c1cccs1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000476588 563624966 /nfs/dbraw/zinc/62/49/66/563624966.db2.gz WDJUJRFYOLXPTJ-GQCTYLIASA-N 0 0 308.746 3.962 50 5 DHBARN O=C1CCCC[C@@H]1Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC000000407866 563252283 /nfs/dbraw/zinc/25/22/83/563252283.db2.gz AEZUAFZMLSMMJD-KRWDZBQOSA-N 0 0 308.333 3.837 50 5 DHBARN Cc1ccc(NC=C([C@H]2OC(=O)c3ccccc32)[N+](=O)[O-])c(C)c1 ZINC000003041910 563321269 /nfs/dbraw/zinc/32/12/69/563321269.db2.gz CSMQMKXQLONWMF-KGZWWPETSA-N 0 0 324.336 3.745 50 5 DHBARN Cc1oc(-c2ccccc2)nc1COc1cccnc1[N+](=O)[O-] ZINC000010550768 563322623 /nfs/dbraw/zinc/32/26/23/563322623.db2.gz KJTGTGKWCQAOCJ-UHFFFAOYSA-N 0 0 311.297 3.532 50 5 DHBARN CCc1c(-c2ccccc2)nnc2c3ccccc3[nH]c(=O)c12 ZINC000006666573 563332968 /nfs/dbraw/zinc/33/29/68/563332968.db2.gz UAVWENCESKIYIK-UHFFFAOYSA-N 0 0 301.349 3.701 50 5 DHBARN Cc1c([C@@H](C)NCc2nccn2CC(C)C)cccc1[N+](=O)[O-] ZINC000096478388 563484222 /nfs/dbraw/zinc/48/42/22/563484222.db2.gz KQLDGHHKKPFQQL-CQSZACIVSA-N 0 0 316.405 3.607 50 5 DHBARN Cc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000011233896 563504295 /nfs/dbraw/zinc/50/42/95/563504295.db2.gz JTNXDLXKNUMNIB-KRWDZBQOSA-N 0 0 310.353 3.784 50 5 DHBARN O=C(Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000000090649 563527489 /nfs/dbraw/zinc/52/74/89/563527489.db2.gz FLNMOCZSRCFIKQ-UHFFFAOYSA-N 0 0 311.215 3.833 50 5 DHBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCc2ccccc21 ZINC000000103053 563543173 /nfs/dbraw/zinc/54/31/73/563543173.db2.gz DDYKSNPUZVRRSV-UHFFFAOYSA-N 0 0 316.744 3.841 50 5 DHBARN CCOc1ccc([C@H](C[N+](=O)[O-])Sc2ccccc2N)cc1 ZINC000000100733 563543320 /nfs/dbraw/zinc/54/33/20/563543320.db2.gz JVJNGDKJMXOFKW-INIZCTEOSA-N 0 0 318.398 3.778 50 5 DHBARN CCOc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000000102209 563543341 /nfs/dbraw/zinc/54/33/41/563543341.db2.gz VDXXOPRODPNYIW-UHFFFAOYSA-N 0 0 300.314 3.554 50 5 DHBARN CCc1cc([N+](=O)[O-])c(NC[C@](C)(O)c2ccco2)cc1Cl ZINC000225821156 563571044 /nfs/dbraw/zinc/57/10/44/563571044.db2.gz HBATVTICCWUNDL-HNNXBMFYSA-N 0 0 324.764 3.723 50 5 DHBARN O=[N+]([O-])c1cccc(-c2nnc(-c3cccc(Cl)c3)o2)c1 ZINC000000143436 563572921 /nfs/dbraw/zinc/57/29/21/563572921.db2.gz QENDOSJKUCQXRO-UHFFFAOYSA-N 0 0 301.689 3.965 50 5 DHBARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000000168668 563574009 /nfs/dbraw/zinc/57/40/09/563574009.db2.gz XYQVGCWCODMPCR-OAHLLOKOSA-N 0 0 318.304 3.530 50 5 DHBARN C[C@H]1C[C@H](C)CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000000189299 563576166 /nfs/dbraw/zinc/57/61/66/563576166.db2.gz BSPSHLUQSQGETP-QWRGUYRKSA-N 0 0 318.398 3.928 50 5 DHBARN COc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000000288734 563584624 /nfs/dbraw/zinc/58/46/24/563584624.db2.gz WGXYJPYVIWGHFY-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN COc1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000000288679 563584763 /nfs/dbraw/zinc/58/47/63/563584763.db2.gz QMFRJXWRXPLSCB-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN CC(C)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000000302793 563586857 /nfs/dbraw/zinc/58/68/57/563586857.db2.gz NFWTXNGTJCMCFH-UHFFFAOYSA-N 0 0 314.341 3.736 50 5 DHBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2cc1O ZINC000000305052 563586986 /nfs/dbraw/zinc/58/69/86/563586986.db2.gz MEYOWHBLKKKZAL-UHFFFAOYSA-N 0 0 323.304 3.811 50 5 DHBARN CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1[N+](=O)[O-] ZINC000000310566 563587353 /nfs/dbraw/zinc/58/73/53/563587353.db2.gz VPZQTESUPGDVFZ-UHFFFAOYSA-N 0 0 314.341 3.863 50 5 DHBARN O=C(Nc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000000362910 563590074 /nfs/dbraw/zinc/59/00/74/563590074.db2.gz JNAUOCDRHXZHDA-UHFFFAOYSA-N 0 0 321.130 3.610 50 5 DHBARN O=C(c1cccc2nc3ccccc3nc21)N1CCCCCC1 ZINC000033540439 563593959 /nfs/dbraw/zinc/59/39/59/563593959.db2.gz ROXNZMFGUBZSGI-UHFFFAOYSA-N 0 0 305.381 3.799 50 5 DHBARN O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000000430984 563613858 /nfs/dbraw/zinc/61/38/58/563613858.db2.gz KQNCMDJXLIVQBU-HMSDUJDUSA-N 0 0 320.304 3.604 50 5 DHBARN CN(C)c1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000000441590 563614485 /nfs/dbraw/zinc/61/44/85/563614485.db2.gz UKBZZMCCZZSAJP-UHFFFAOYSA-N 0 0 319.748 3.567 50 5 DHBARN COc1ccc(Cl)cc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000000476011 563624662 /nfs/dbraw/zinc/62/46/62/563624662.db2.gz QPDIONPKXGCQFY-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN C[C@]1(c2ccc([N+](=O)[O-])cc2)NN=C(Cc2ccccc2)S1 ZINC000005018352 563636905 /nfs/dbraw/zinc/63/69/05/563636905.db2.gz MAVGAGYQGJMUDU-INIZCTEOSA-N 0 0 313.382 3.660 50 5 DHBARN Cc1nn(C(=O)C2CC2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 ZINC000000611925 563698961 /nfs/dbraw/zinc/69/89/61/563698961.db2.gz MUEKZZPZFOLCCF-UHFFFAOYSA-N 0 0 317.370 3.610 50 5 DHBARN CC(C)Oc1nnc(SCc2csc([N+](=O)[O-])c2)s1 ZINC000049422801 563701700 /nfs/dbraw/zinc/70/17/00/563701700.db2.gz MGYVZONIHODUFZ-UHFFFAOYSA-N 0 0 317.417 3.587 50 5 DHBARN COc1ccc([C@@H](C[N+](=O)[O-])c2c(C)cc3ccccn32)cc1 ZINC000003206093 563799146 /nfs/dbraw/zinc/79/91/46/563799146.db2.gz DYEDZAFSBOYINM-QGZVFWFLSA-N 0 0 310.353 3.665 50 5 DHBARN Cc1ccccc1NC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])c(C)c1 ZINC000012621497 563807497 /nfs/dbraw/zinc/80/74/97/563807497.db2.gz WBRZCDQWAKZECU-ZDUSSCGKSA-N 0 0 314.341 3.618 50 5 DHBARN CC(C)NC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000001386998 563813794 /nfs/dbraw/zinc/81/37/94/563813794.db2.gz PQPNQDHOIZFCMF-UHFFFAOYSA-N 0 0 316.382 3.884 50 5 DHBARN O=[N+]([O-])c1cc(F)c(N2CCCCC2)cc1N1CCCCC1 ZINC000004183693 563819273 /nfs/dbraw/zinc/81/92/73/563819273.db2.gz KUOPXHZVYFLFRU-UHFFFAOYSA-N 0 0 307.369 3.715 50 5 DHBARN O=C(Nc1nc2c(s1)CCCCC2)c1ccccc1[N+](=O)[O-] ZINC000012815163 563837178 /nfs/dbraw/zinc/83/71/78/563837178.db2.gz UWQINXXGZQGRMS-UHFFFAOYSA-N 0 0 317.370 3.573 50 5 DHBARN CC(=O)c1cccc(NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000001741703 563874452 /nfs/dbraw/zinc/87/44/52/563874452.db2.gz UHEOWLKUOMPKJM-UHFFFAOYSA-N 0 0 317.276 3.581 50 5 DHBARN CCCOc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000002023111 563889480 /nfs/dbraw/zinc/88/94/80/563889480.db2.gz YXVNRYHGBLNBFE-UHFFFAOYSA-N 0 0 301.298 3.603 50 5 DHBARN Cn1c(CNc2ccc([N+](=O)[O-])cc2Cl)nc2ccccc21 ZINC000007129013 563903582 /nfs/dbraw/zinc/90/35/82/563903582.db2.gz LVVVXCLXMFOXCS-UHFFFAOYSA-N 0 0 316.748 3.747 50 5 DHBARN CC(C)[C@H](C)NC(=O)CS[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000007133370 563903604 /nfs/dbraw/zinc/90/36/04/563903604.db2.gz NMCGBVSXZNXJRB-RYUDHWBXSA-N 0 0 310.419 3.550 50 5 DHBARN O=[N+]([O-])c1ccc(CN2CCCc3cc(F)cc(F)c32)cc1 ZINC000036754261 563903845 /nfs/dbraw/zinc/90/38/45/563903845.db2.gz JLIUFCNMLKOTGP-UHFFFAOYSA-N 0 0 304.296 3.826 50 5 DHBARN Cc1cccc2c(NCCc3cccc([N+](=O)[O-])c3)ncnc12 ZINC000170590972 563906690 /nfs/dbraw/zinc/90/66/90/563906690.db2.gz WZLFZODWGUKZNZ-UHFFFAOYSA-N 0 0 308.341 3.501 50 5 DHBARN Cc1ccc2c(c1)S[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000014206952 563910501 /nfs/dbraw/zinc/91/05/01/563910501.db2.gz ZFGAQDOAAYFNQR-OAHLLOKOSA-N 0 0 314.366 3.559 50 5 DHBARN CO[C@@H](C)c1nc(COc2cccc(C)c2[N+](=O)[O-])cs1 ZINC000089688894 563910910 /nfs/dbraw/zinc/91/09/10/563910910.db2.gz RTIXWGVCIIEYDX-JTQLQIEISA-N 0 0 308.359 3.646 50 5 DHBARN Cc1c(C[NH2+][C@H]2CCCNc3ccccc32)cccc1[N+](=O)[O-] ZINC000252509208 563916505 /nfs/dbraw/zinc/91/65/05/563916505.db2.gz YGBXSFCIUHOYIH-KRWDZBQOSA-N 0 0 311.385 3.940 50 5 DHBARN CCOc1ccc([N+](=O)[O-])cc1COc1ccccc1C(C)=O ZINC000002166685 563916608 /nfs/dbraw/zinc/91/66/08/563916608.db2.gz VPBXWKGVYKIOBM-UHFFFAOYSA-N 0 0 315.325 3.775 50 5 DHBARN CC(C)COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000007650056 563917713 /nfs/dbraw/zinc/91/77/13/563917713.db2.gz GAZYPLUVGFLZTL-UHFFFAOYSA-N 0 0 314.341 3.882 50 5 DHBARN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(Cl)ccc1O ZINC000194938396 563918692 /nfs/dbraw/zinc/91/86/92/563918692.db2.gz KKBMHXLMZZWEKX-UHFFFAOYSA-N 0 0 306.705 3.515 50 5 DHBARN CCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002270876 563920900 /nfs/dbraw/zinc/92/09/00/563920900.db2.gz MXLBGMCLSDOILY-UHFFFAOYSA-N 0 0 300.314 3.636 50 5 DHBARN O=[N+]([O-])c1ccc(C2=CSC(c3cccc(Cl)c3)=NN2)o1 ZINC000019898867 563923716 /nfs/dbraw/zinc/92/37/16/563923716.db2.gz LISMLFMXGAXXIA-UHFFFAOYSA-N 0 0 321.745 3.838 50 5 DHBARN Cc1ccc([C@H](C)Nc2cnn(CC(F)F)c2)cc1[N+](=O)[O-] ZINC000097038006 563937680 /nfs/dbraw/zinc/93/76/80/563937680.db2.gz VQFZZALMXKHPRX-JTQLQIEISA-N 0 0 310.304 3.538 50 5 DHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccc(Cl)cc1 ZINC000002534678 563938593 /nfs/dbraw/zinc/93/85/93/563938593.db2.gz HAIYIMXGZBLMBW-RMKNXTFCSA-N 0 0 316.744 3.578 50 5 DHBARN Nc1c2ccc([N+](=O)[O-])cc2oc1C(=O)c1ccc(Cl)cc1 ZINC000002581162 563939439 /nfs/dbraw/zinc/93/94/39/563939439.db2.gz DDGLTLBWGQVJNN-UHFFFAOYSA-N 0 0 316.700 3.808 50 5 DHBARN Cc1ccc(NC(=O)CSc2ccccc2)cc1[N+](=O)[O-] ZINC000002853155 563940859 /nfs/dbraw/zinc/94/08/59/563940859.db2.gz WUHWKDDDOAPKGM-UHFFFAOYSA-N 0 0 302.355 3.634 50 5 DHBARN O=C(Nc1cccc(Nc2ccc(F)cc2[N+](=O)[O-])c1)C1CC1 ZINC000029526638 563941284 /nfs/dbraw/zinc/94/12/84/563941284.db2.gz UVRPNVAAYJXUCQ-UHFFFAOYSA-N 0 0 315.304 3.826 50 5 DHBARN COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1[N+](=O)[O-] ZINC000002951169 563941528 /nfs/dbraw/zinc/94/15/28/563941528.db2.gz MUUZVNOXCYGOTK-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN CCOc1ccc(C(=O)Nc2ccccc2CC)cc1[N+](=O)[O-] ZINC000002999927 563941635 /nfs/dbraw/zinc/94/16/35/563941635.db2.gz IGIXQSJNUINCLJ-UHFFFAOYSA-N 0 0 314.341 3.808 50 5 DHBARN O=CNc1cc(Cl)ccc1Sc1ccccc1[N+](=O)[O-] ZINC000003106374 563942176 /nfs/dbraw/zinc/94/21/76/563942176.db2.gz FGVZIFXHZPTHER-UHFFFAOYSA-N 0 0 308.746 3.968 50 5 DHBARN CCCCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000003191677 563942645 /nfs/dbraw/zinc/94/26/45/563942645.db2.gz TZVGORHPWFZOAS-UHFFFAOYSA-N 0 0 305.359 3.847 50 5 DHBARN O=Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@@H]1c1cccnc1 ZINC000008764440 563950625 /nfs/dbraw/zinc/95/06/25/563950625.db2.gz NGYAZMIBVPVMOP-MRXNPFEDSA-N 0 0 311.341 3.534 50 5 biogenic DHBARN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000009668468 568421889 /nfs/dbraw/zinc/42/18/89/568421889.db2.gz UQVIAYWZZOVVMK-JTQLQIEISA-N 0 0 316.744 3.840 50 5 DHBARN O=[N+]([O-])c1ccc(/C=C\Sc2nnc(C3CC3)n2C2CC2)o1 ZINC000098042522 1015365500 /nfs/dbraw/zinc/36/55/00/1015365500.db2.gz KOKWOKKSDODFAT-FPLPWBNLSA-N 0 0 318.358 3.755 50 5 DHBARN O=c1oc2ccccc2c(Nc2ccccc2Cl)c1[N+](=O)[O-] ZINC000102858568 1022011346 /nfs/dbraw/zinc/01/13/46/1022011346.db2.gz TUJHZURGOXWWQE-GHRIWEEISA-N 0 0 316.700 3.932 50 5 DHBARN C[C@@H](Sc1nnc(NC2CC2)s1)c1cccc([N+](=O)[O-])c1 ZINC000007853426 1022626689 /nfs/dbraw/zinc/62/66/89/1022626689.db2.gz KPXUSKGOMQHKBG-MRVPVSSYSA-N 0 0 322.415 3.874 50 5 DHBARN O=[N+]([O-])c1cccc(CN2CCCc3cc(F)cc(F)c32)c1 ZINC000026725349 1025239883 /nfs/dbraw/zinc/23/98/83/1025239883.db2.gz FAEDSFMABGAADT-UHFFFAOYSA-N 0 0 304.296 3.826 50 5 DHBARN O=[N+]([O-])c1ccc2[nH]c(C(Cl)=Cc3cccnc3)nc2c1 ZINC000007132978 1027719851 /nfs/dbraw/zinc/71/98/51/1027719851.db2.gz XXAZIJZMVYWHKU-WDZFZDKYSA-N 0 0 300.705 3.603 50 5 DHBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)N[C@@H]1CCCc2ccccc21 ZINC000035681669 1031888113 /nfs/dbraw/zinc/88/81/13/1031888113.db2.gz RUJLSQUIRLNQJC-YUIUBULTSA-N 0 0 322.364 3.802 50 5 DHBARN Cc1nc(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)oc1C ZINC000090072796 185280775 /nfs/dbraw/zinc/28/07/75/185280775.db2.gz MBPBOQPNHFDESR-UHFFFAOYSA-N 0 0 324.340 3.874 50 5 DHBARN CC(C)n1ccc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000095432406 185363412 /nfs/dbraw/zinc/36/34/12/185363412.db2.gz OYQXVZJONWXGIE-UHFFFAOYSA-N 0 0 314.389 3.537 50 5 DHBARN CC[C@@](O)(c1ccccc1)[C@H](Cc1ccccc1)C[N+](C)(C)[O-] ZINC000071767247 191029000 /nfs/dbraw/zinc/02/90/00/191029000.db2.gz XXKGQKYISFNEFI-WOJBJXKFSA-N 0 0 313.441 3.717 50 5 DHBARN CC1=C(c2ccco2)CN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000253392167 186303294 /nfs/dbraw/zinc/30/32/94/186303294.db2.gz LNZKMSOWOAXCTM-UHFFFAOYSA-N 0 0 312.325 3.507 50 5 DHBARN O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1nc2ccccc2o1 ZINC000000034973 180672929 /nfs/dbraw/zinc/67/29/29/180672929.db2.gz PUQZCNGJALKKBE-UHFFFAOYSA-N 0 0 308.249 3.509 50 5 DHBARN COc1ccc2c3ccc(OC(=O)C4CC4)c(C)c3oc(=O)c2c1 ZINC000000091088 180689216 /nfs/dbraw/zinc/68/92/16/180689216.db2.gz JOQLXJRJZGRZAE-UHFFFAOYSA-N 0 0 324.332 3.579 50 5 DHBARN C[C@H]([C@@H](Sc1ccccc1N)c1ccc(F)cc1)[N+](=O)[O-] ZINC000000101703 180693345 /nfs/dbraw/zinc/69/33/45/180693345.db2.gz IAUBGYJDSOMRFE-MEBBXXQBSA-N 0 0 306.362 3.907 50 5 DHBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000000436556 180790544 /nfs/dbraw/zinc/79/05/44/180790544.db2.gz LFOGCDTZGIUYBA-UHFFFAOYSA-N 0 0 310.231 3.866 50 5 DHBARN Cc1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)cc1[N+](=O)[O-] ZINC000001053587 180843368 /nfs/dbraw/zinc/84/33/68/180843368.db2.gz UBYZGDQODIJXLA-UHFFFAOYSA-N 0 0 319.386 3.910 50 5 DHBARN COc1ccc(C(=O)N[C@H](C)CCCC(C)C)cc1[N+](=O)[O-] ZINC000001795891 180896661 /nfs/dbraw/zinc/89/66/61/180896661.db2.gz VGIJODHQJCGSNL-GFCCVEGCSA-N 0 0 308.378 3.548 50 5 DHBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)Nc1cc(F)ccc1F ZINC000002156164 180912972 /nfs/dbraw/zinc/91/29/72/180912972.db2.gz KGQYFFYTKPYSEH-UHFFFAOYSA-N 0 0 311.219 3.656 50 5 DHBARN CSc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000002521018 180931589 /nfs/dbraw/zinc/93/15/89/180931589.db2.gz WYXPYGMVWQTHEJ-JXMROGBWSA-N 0 0 314.366 3.969 50 5 DHBARN Cc1ccc(F)cc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000003566309 181035859 /nfs/dbraw/zinc/03/58/59/181035859.db2.gz SFMYGZGZZMITBK-UHFFFAOYSA-N 0 0 320.345 3.773 50 5 DHBARN COc1ccccc1Nc1c([N+](=O)[O-])cc(C)cc1[N+](=O)[O-] ZINC000003880008 181051433 /nfs/dbraw/zinc/05/14/33/181051433.db2.gz KRQVTLPTVFLNBF-UHFFFAOYSA-N 0 0 303.274 3.564 50 5 DHBARN O=[N+]([O-])c1ccc(Nc2cccc3cccnc32)c([N+](=O)[O-])c1 ZINC000003880024 181051634 /nfs/dbraw/zinc/05/16/34/181051634.db2.gz ZMNRNLSCJMSJSD-UHFFFAOYSA-N 0 0 310.269 3.795 50 5 DHBARN CCOc1ccc(NC(=O)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000003899897 181054149 /nfs/dbraw/zinc/05/41/49/181054149.db2.gz DNTXHYCYIFAKIE-UHFFFAOYSA-N 0 0 301.302 3.638 50 5 DHBARN O=[N+]([O-])c1cc(Br)ccc1Nc1ccc(O)cc1 ZINC000004054467 181067322 /nfs/dbraw/zinc/06/73/22/181067322.db2.gz HOFXFKYTWSEYDP-UHFFFAOYSA-N 0 0 309.119 3.807 50 5 DHBARN Cc1cc(C)cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])s2)c1 ZINC000004078821 181070314 /nfs/dbraw/zinc/07/03/14/181070314.db2.gz IAIBLICIGSHEOL-HWKANZROSA-N 0 0 302.355 3.925 50 5 aggregator DHBARN O=C1c2cc3ccccc3cc2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000004125216 181076821 /nfs/dbraw/zinc/07/68/21/181076821.db2.gz QIIZYHHFHURHPZ-UHFFFAOYSA-N 0 0 318.288 3.549 50 5 DHBARN CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004321614 181097328 /nfs/dbraw/zinc/09/73/28/181097328.db2.gz DCDQZYYZZXAUAQ-XGWLTEMNSA-N 0 0 302.374 3.539 50 5 DHBARN O=C(Nc1nc2c(cccc2F)s1)c1ccc([N+](=O)[O-])cc1 ZINC000004331525 181098701 /nfs/dbraw/zinc/09/87/01/181098701.db2.gz CKWNVDNHXASZGF-UHFFFAOYSA-N 0 0 317.301 3.596 50 5 DHBARN O=[N+]([O-])c1cnc(NN(c2ccccc2)c2ccccc2)nc1 ZINC000004314789 181096402 /nfs/dbraw/zinc/09/64/02/181096402.db2.gz ICMVLUVYZZUSSI-UHFFFAOYSA-N 0 0 307.313 3.550 50 5 DHBARN CCCC[C@H](CC)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000004702896 181139537 /nfs/dbraw/zinc/13/95/37/181139537.db2.gz WQVQLFFTHGFFOL-LBPRGKRZSA-N 0 0 308.378 3.550 50 5 DHBARN COc1ccc(NC(=O)/C(C)=C\c2ccccc2)c([N+](=O)[O-])c1 ZINC000004675801 181135352 /nfs/dbraw/zinc/13/53/52/181135352.db2.gz HXMLHTMRMCGHHY-BENRWUELSA-N 0 0 312.325 3.645 50 5 DHBARN O=C(Cc1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004690649 181137002 /nfs/dbraw/zinc/13/70/02/181137002.db2.gz BGZQCSACEINAMC-UHFFFAOYSA-N 0 0 308.696 3.569 50 5 DHBARN Cc1ccc(Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])cc1C ZINC000004806895 181153720 /nfs/dbraw/zinc/15/37/20/181153720.db2.gz DFBKENMRSFREPD-UHFFFAOYSA-N 0 0 323.352 3.807 50 5 DHBARN Nc1c(-c2ccc(Cl)cc2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000004826537 181158371 /nfs/dbraw/zinc/15/83/71/181158371.db2.gz SFTJVOWXSJHUCE-UHFFFAOYSA-N 0 0 314.732 3.683 50 5 DHBARN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000004839469 181160789 /nfs/dbraw/zinc/16/07/89/181160789.db2.gz UFQXUBFRHMSCMU-ZDUSSCGKSA-N 0 0 314.341 3.618 50 5 DHBARN COc1cccc(-c2noc(-c3ccc([N+](=O)[O-])c(C)c3)n2)c1 ZINC000004839799 181160828 /nfs/dbraw/zinc/16/08/28/181160828.db2.gz BLIPRIKSGNCHIT-UHFFFAOYSA-N 0 0 311.297 3.629 50 5 DHBARN C[C@H](C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000004891740 181168499 /nfs/dbraw/zinc/16/84/99/181168499.db2.gz UXXBDDADGXCQDJ-JTQLQIEISA-N 0 0 304.733 3.990 50 5 DHBARN COc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(C)cc1 ZINC000004919525 181172845 /nfs/dbraw/zinc/17/28/45/181172845.db2.gz WTTGYWUFHMKNFZ-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN CC(C)c1onc(C(=O)Nc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000004937477 181175659 /nfs/dbraw/zinc/17/56/59/181175659.db2.gz CIKPXNFZCYWZAC-UHFFFAOYSA-N 0 0 309.709 3.612 50 5 DHBARN Cc1cc([N+](=O)[O-])ccc1NC(=S)NCc1ccc(F)cc1 ZINC000004999055 181188066 /nfs/dbraw/zinc/18/80/66/181188066.db2.gz VPSDGCHXQZPXOO-UHFFFAOYSA-N 0 0 319.361 3.529 50 5 DHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)N(CC(C)C)CC(C)C ZINC000005041258 181195231 /nfs/dbraw/zinc/19/52/31/181195231.db2.gz PEJJAGRNNRRBIH-UHFFFAOYSA-N 0 0 323.393 3.749 50 5 DHBARN Cc1ccc(SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000005047607 181195831 /nfs/dbraw/zinc/19/58/31/181195831.db2.gz WQTDOULOGXGMJX-UHFFFAOYSA-N 0 0 316.382 3.942 50 5 DHBARN COc1ccc(Cl)cc1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005094353 181203285 /nfs/dbraw/zinc/20/32/85/181203285.db2.gz JTWMTDBICCTSQQ-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN COc1ccc(NC(=O)c2ccccc2SC)c([N+](=O)[O-])c1 ZINC000005222481 181218482 /nfs/dbraw/zinc/21/84/82/181218482.db2.gz JAFAYMDBEWYGPE-UHFFFAOYSA-N 0 0 318.354 3.578 50 5 DHBARN CN(Cc1c(F)cccc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005510303 181251237 /nfs/dbraw/zinc/25/12/37/181251237.db2.gz ZASAHNFPMYRWQC-UHFFFAOYSA-N 0 0 322.723 3.660 50 5 DHBARN CCCOc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000005512538 181251818 /nfs/dbraw/zinc/25/18/18/181251818.db2.gz OXKYWJCGDKQQDJ-UHFFFAOYSA-N 0 0 300.314 3.636 50 5 DHBARN Cc1sc2ncnc(Sc3ccc([N+](=O)[O-])nc3)c2c1C ZINC000005638207 181267451 /nfs/dbraw/zinc/26/74/51/181267451.db2.gz XOFCWGPDYSOLFK-UHFFFAOYSA-N 0 0 318.383 3.763 50 5 DHBARN N=c1oc2ccc3ccccc3c2cc1C(=O)Nc1nccs1 ZINC000005704960 181274545 /nfs/dbraw/zinc/27/45/45/181274545.db2.gz ZTLMLELZXXXGBG-UHFFFAOYSA-N 0 0 321.361 3.774 50 5 DHBARN O=[N+]([O-])c1ccc(/C=C2\CO[C@@H](OCc3ccccc3)C2)cc1 ZINC000247343978 202666355 /nfs/dbraw/zinc/66/63/55/202666355.db2.gz TYGZDNTTWQNBDV-CFINBHSISA-N 0 0 311.337 3.941 50 5 DHBARN CC1(C)N=C(c2ccccc2)[C@H]2[C@H](c3ccc([N+](=O)[O-])cc3)N21 ZINC000016037426 182030513 /nfs/dbraw/zinc/03/05/13/182030513.db2.gz ZURRJBURTJNBNL-NBJLRHFZSA-N 0 0 307.353 3.559 50 5 DHBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)C1CC1 ZINC000018213829 182098716 /nfs/dbraw/zinc/09/87/16/182098716.db2.gz RSLDFHJPWOTFPQ-UHFFFAOYSA-N 0 0 314.316 3.539 50 5 DHBARN Nc1nc(CCc2ccccc2)cc2c3ccccc3oc(=O)c12 ZINC000019927733 182165949 /nfs/dbraw/zinc/16/59/49/182165949.db2.gz DDJWFHPRTWIPPA-UHFFFAOYSA-N 0 0 316.360 3.709 50 5 DHBARN COc1ccc(NC(=O)NCCC2=CCCCC2)c([N+](=O)[O-])c1 ZINC000023391158 182360319 /nfs/dbraw/zinc/36/03/19/182360319.db2.gz JTAQRVRMJCJRJE-UHFFFAOYSA-N 0 0 319.361 3.615 50 5 DHBARN Cc1cc(C(=O)N(Cc2ccccc2)C2CC2)ccc1[N+](=O)[O-] ZINC000024766712 182390778 /nfs/dbraw/zinc/39/07/78/182390778.db2.gz MMKZPQWNGNLVSY-UHFFFAOYSA-N 0 0 310.353 3.708 50 5 DHBARN Cc1c(NC(=O)CCc2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000032816259 182667219 /nfs/dbraw/zinc/66/72/19/182667219.db2.gz LERCIXQXFXNUMR-UHFFFAOYSA-N 0 0 320.295 3.753 50 5 DHBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC1CCCCCCC1 ZINC000033311022 182701837 /nfs/dbraw/zinc/70/18/37/182701837.db2.gz BVBCNGMAFXAPMD-QXMHVHEDSA-N 0 0 302.374 3.837 50 5 DHBARN Cc1nc(-c2cccc(OCc3cccc([N+](=O)[O-])c3)c2)no1 ZINC000037553613 182906710 /nfs/dbraw/zinc/90/67/10/182906710.db2.gz ORNVOKCOZUHPJT-UHFFFAOYSA-N 0 0 311.297 3.532 50 5 DHBARN Cc1nc(-c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)no1 ZINC000040413891 183062848 /nfs/dbraw/zinc/06/28/48/183062848.db2.gz GDWFSZDLMJJLIW-UHFFFAOYSA-N 0 0 311.297 3.532 50 5 DHBARN Cc1c(NC(=O)N(C)CC2CCCCC2)cccc1[N+](=O)[O-] ZINC000043347238 183356807 /nfs/dbraw/zinc/35/68/07/183356807.db2.gz CFBYKUNCHRNEHU-UHFFFAOYSA-N 0 0 305.378 3.947 50 5 DHBARN CC1(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCC=CCC1 ZINC000045069302 183479712 /nfs/dbraw/zinc/47/97/12/183479712.db2.gz NMTNQKDRYYNGNN-UHFFFAOYSA-N 0 0 320.301 3.549 50 5 DHBARN Cc1ccc(OCc2nc(-c3cccs3)no2)c([N+](=O)[O-])c1 ZINC000004686674 257267612 /nfs/dbraw/zinc/26/76/12/257267612.db2.gz MXMWOJAICKJTNO-UHFFFAOYSA-N 0 0 317.326 3.594 50 5 DHBARN Cc1sc(C(=O)N2CCCc3cc(C)ccc32)cc1[N+](=O)[O-] ZINC000024443539 134660779 /nfs/dbraw/zinc/66/07/79/134660779.db2.gz DKMIVSMYAPSHLX-UHFFFAOYSA-N 0 0 316.382 3.866 50 5 DHBARN O=c1c2ccccc2c2ccccc2c(=O)n1-c1ccc(F)cc1 ZINC000000099916 563216882 /nfs/dbraw/zinc/21/68/82/563216882.db2.gz SDWJSRVILDMLOB-UHFFFAOYSA-N 0 0 317.319 3.643 50 5 DHBARN Cc1cccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000032902469 563410413 /nfs/dbraw/zinc/41/04/13/563410413.db2.gz WNFDDYQURWRSDJ-DZGCQCFKSA-N 0 0 302.374 3.698 50 5 DHBARN Cc1cc2ccccc2n1CC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000010620391 563414818 /nfs/dbraw/zinc/41/48/18/563414818.db2.gz FWHIFWZNGNNDJU-UHFFFAOYSA-N 0 0 324.336 3.601 50 5 DHBARN O=[N+]([O-])c1cccc(F)c1CN(CC1CC1)CC(F)(F)F ZINC000072313894 563465577 /nfs/dbraw/zinc/46/55/77/563465577.db2.gz FCTDOAXGWWKFBN-UHFFFAOYSA-N 0 0 306.259 3.508 50 5 DHBARN O=C(Nc1cc(Cl)ccn1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000050439 563513758 /nfs/dbraw/zinc/51/37/58/563513758.db2.gz PXQQYUQBPWZYSD-UHFFFAOYSA-N 0 0 312.112 3.549 50 5 DHBARN CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000000103024 563543444 /nfs/dbraw/zinc/54/34/44/563543444.db2.gz WKNXXIWQPIKWEA-UHFFFAOYSA-N 0 0 320.732 3.899 50 5 DHBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(Cl)c1 ZINC000000166390 563573954 /nfs/dbraw/zinc/57/39/54/563573954.db2.gz YCSUFMRAQGECMF-UHFFFAOYSA-N 0 0 309.680 3.744 50 5 DHBARN Cc1cc(C(=O)Nc2nc3ccccc3s2)ccc1[N+](=O)[O-] ZINC000000175399 563574788 /nfs/dbraw/zinc/57/47/88/563574788.db2.gz JLZHXXYIRVAROO-UHFFFAOYSA-N 0 0 313.338 3.765 50 5 DHBARN C[C@@H]1C[C@@H](C)CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000000189297 563576079 /nfs/dbraw/zinc/57/60/79/563576079.db2.gz BSPSHLUQSQGETP-GHMZBOCLSA-N 0 0 318.398 3.928 50 5 DHBARN C[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000000253607 563582855 /nfs/dbraw/zinc/58/28/55/563582855.db2.gz GZBXDSCQACQTNS-JTQLQIEISA-N 0 0 304.733 3.739 50 5 DHBARN CC1CCN(c2cc(N3CCCC3)c(F)cc2[N+](=O)[O-])CC1 ZINC000004881481 563592131 /nfs/dbraw/zinc/59/21/31/563592131.db2.gz JZWJAOQHNJXGEH-UHFFFAOYSA-N 0 0 307.369 3.570 50 5 DHBARN CC1CCN(c2ccc([N+](=O)[O-])c(Br)c2F)CC1 ZINC000005073349 563596839 /nfs/dbraw/zinc/59/68/39/563596839.db2.gz KJONMCCZCFKVIB-UHFFFAOYSA-N 0 0 317.158 3.733 50 5 DHBARN CCOc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000438240 563613982 /nfs/dbraw/zinc/61/39/82/563613982.db2.gz PMONZIHPOSSCKM-LFYBBSHMSA-N 0 0 312.325 3.645 50 5 DHBARN O=[N+]([O-])c1cccc(-c2noc(-c3ccccc3Cl)n2)c1 ZINC000000443422 563614952 /nfs/dbraw/zinc/61/49/52/563614952.db2.gz QYRVJIZEWPYLDY-UHFFFAOYSA-N 0 0 301.689 3.965 50 5 DHBARN CC(C)(C)c1csc(NC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000000452408 563615642 /nfs/dbraw/zinc/61/56/42/563615642.db2.gz CAFZLEVMTOWJEP-UHFFFAOYSA-N 0 0 305.359 3.601 50 5 DHBARN O=C(Nc1nc2ccccc2s1)c1ccc([N+](=O)[O-])s1 ZINC000003280373 563626731 /nfs/dbraw/zinc/62/67/31/563626731.db2.gz FLWYVUZBOZHXMU-UHFFFAOYSA-N 0 0 305.340 3.518 50 5 DHBARN Cc1c(C(=O)Nc2cccc3cccnc32)cccc1[N+](=O)[O-] ZINC000000556415 563669318 /nfs/dbraw/zinc/66/93/18/563669318.db2.gz MJDCHCMOKKPNPR-UHFFFAOYSA-N 0 0 307.309 3.704 50 5 DHBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(C(F)(F)F)cc1 ZINC000000563084 563670965 /nfs/dbraw/zinc/67/09/65/563670965.db2.gz FBCXJERUPCAFNL-UHFFFAOYSA-N 0 0 324.258 3.795 50 5 DHBARN O=C(Nc1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)C1CC1 ZINC000025234931 563785814 /nfs/dbraw/zinc/78/58/14/563785814.db2.gz SBGRKJAQWJVRLV-UHFFFAOYSA-N 0 0 311.341 3.791 50 5 DHBARN O=[N+]([O-])c1ccc(NCCOc2ccc3ccccc3c2)nc1 ZINC000015141685 563792694 /nfs/dbraw/zinc/79/26/94/563792694.db2.gz GPZIJKNQKQZRNE-UHFFFAOYSA-N 0 0 309.325 3.634 50 5 DHBARN O=[N+]([O-])c1ccc(OCc2coc(-c3cccc(F)c3)n2)cc1 ZINC000026015060 563838357 /nfs/dbraw/zinc/83/83/57/563838357.db2.gz KWZGYDYQJVQFHS-UHFFFAOYSA-N 0 0 314.272 3.968 50 5 DHBARN Cc1cc(OCC(=O)N[C@@H](C)CCCC(C)C)ccc1[N+](=O)[O-] ZINC000007549550 563908683 /nfs/dbraw/zinc/90/86/83/563908683.db2.gz NBXFPXSMOBSGTG-AWEZNQCLSA-N 0 0 322.405 3.613 50 5 DHBARN Cc1c(C[NH2+][C@@H]2CCCNc3ccccc32)cccc1[N+](=O)[O-] ZINC000252509209 563916559 /nfs/dbraw/zinc/91/65/59/563916559.db2.gz YGBXSFCIUHOYIH-QGZVFWFLSA-N 0 0 311.385 3.940 50 5 DHBARN CCOc1ccc(NCCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000002521013 563917271 /nfs/dbraw/zinc/91/72/71/563917271.db2.gz HASKCLGWNBZICV-UHFFFAOYSA-N 0 0 314.341 3.678 50 5 DHBARN CC(C)Oc1ccc(F)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000066433687 563927842 /nfs/dbraw/zinc/92/78/42/563927842.db2.gz FUGKJADSUOOIQF-UHFFFAOYSA-N 0 0 318.304 3.773 50 5 DHBARN Cc1ccccc1CC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000225796077 563938765 /nfs/dbraw/zinc/93/87/65/563938765.db2.gz LRULAHSSPPSLED-UHFFFAOYSA-N 0 0 304.733 3.738 50 5 DHBARN C[C@@H](C(=O)Nc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000002648354 563939930 /nfs/dbraw/zinc/93/99/30/563939930.db2.gz TVKQWSKTNULOFD-SNVBAGLBSA-N 0 0 304.733 3.990 50 5 DHBARN C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000002635741 563939954 /nfs/dbraw/zinc/93/99/54/563939954.db2.gz NIXHWESOPMIYDY-GFCCVEGCSA-N 0 0 316.382 3.564 50 5 DHBARN O=[N+]([O-])c1ccc(N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000029527972 563941301 /nfs/dbraw/zinc/94/13/01/563941301.db2.gz ZYEXIEDMVHZCKF-UHFFFAOYSA-N 0 0 322.368 3.855 50 5 DHBARN O=C(CSc1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000008315437 563947783 /nfs/dbraw/zinc/94/77/83/563947783.db2.gz CBRDXPRXMPNLQA-UHFFFAOYSA-N 0 0 322.773 3.979 50 5 DHBARN O=[N+]([O-])c1ccc(N2CCOc3ccccc3C2)c2ccncc21 ZINC000076874467 563960831 /nfs/dbraw/zinc/96/08/31/563960831.db2.gz SDBPHYPAZBVBQH-UHFFFAOYSA-N 0 0 321.336 3.542 50 5 DHBARN O=C(Nc1cccc([N+](=O)[O-])c1)N(O)c1cccc(Cl)c1 ZINC000000188384 1016784042 /nfs/dbraw/zinc/78/40/42/1016784042.db2.gz LARVQZTZFWWVNN-UHFFFAOYSA-N 0 0 307.693 3.676 50 5 DHBARN Cc1n[nH]c(C)c1CCCCCOc1ccc([N+](=O)[O-])cc1 ZINC000002880486 1017027702 /nfs/dbraw/zinc/02/77/02/1017027702.db2.gz VHFDQTNARFGGTB-UHFFFAOYSA-N 0 0 303.362 3.727 50 5 DHBARN O=C(CSCc1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000000466190 1019924578 /nfs/dbraw/zinc/92/45/78/1019924578.db2.gz DHRQVZNTRCSZKJ-UHFFFAOYSA-N 0 0 320.345 3.606 50 5 DHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\c1ccc(C)cc1 ZINC000033320180 1021256620 /nfs/dbraw/zinc/25/66/20/1021256620.db2.gz KHLQHSVOJBQTTF-YFHOEESVSA-N 0 0 312.325 3.564 50 5 DHBARN C[C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000095458023 185370251 /nfs/dbraw/zinc/37/02/51/185370251.db2.gz BKZCACHWVNADIW-UWVGGRQHSA-N 0 0 318.295 3.841 50 5 DHBARN C[C@@H](CCO)N(Cc1ccccc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000095458773 185370533 /nfs/dbraw/zinc/37/05/33/185370533.db2.gz CZOBRHKXHPAPLW-ZDUSSCGKSA-N 0 0 318.348 3.511 50 5 DHBARN CC[C@H](C(=O)Nc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000017030763 190642365 /nfs/dbraw/zinc/64/23/65/190642365.db2.gz GQZHGJYTICWIDU-ZDUSSCGKSA-N 0 0 302.305 3.866 50 5 DHBARN COC(=O)c1ccccc1Sc1cc([N+](=O)[O-])ccc1C ZINC000071767263 191028866 /nfs/dbraw/zinc/02/88/66/191028866.db2.gz SNECQVAEDGDHAL-UHFFFAOYSA-N 0 0 303.339 3.841 50 5 DHBARN O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2c2nccs2)cc1F ZINC000253392885 186303615 /nfs/dbraw/zinc/30/36/15/186303615.db2.gz CWKCKPZZGSMXLV-CQSZACIVSA-N 0 0 321.377 3.918 50 5 DHBARN Cc1ccc(NC(=O)COc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000000094151 180690313 /nfs/dbraw/zinc/69/03/13/180690313.db2.gz FTTSSKZSLIDFSO-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN O=C(Nc1ccc(Cl)cn1)c1cc([N+](=O)[O-])ccc1Cl ZINC000000223905 180731640 /nfs/dbraw/zinc/73/16/40/180731640.db2.gz FLZGVZJYGMRJKZ-UHFFFAOYSA-N 0 0 312.112 3.549 50 5 DHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC1CCCCCCC1 ZINC000000375537 180770443 /nfs/dbraw/zinc/77/04/43/180770443.db2.gz BVBCNGMAFXAPMD-VAWYXSNFSA-N 0 0 302.374 3.837 50 5 DHBARN O=C1CS[C@H](c2ccccc2[N+](=O)[O-])N1c1cccc(F)c1 ZINC000000423817 180785207 /nfs/dbraw/zinc/78/52/07/180785207.db2.gz QXKXBABVPWCGJB-OAHLLOKOSA-N 0 0 318.329 3.513 50 5 DHBARN Cc1cccc(N2C(=O)CS[C@H]2c2ccccc2[N+](=O)[O-])c1 ZINC000000423821 180785325 /nfs/dbraw/zinc/78/53/25/180785325.db2.gz NACYNXLAONOPQA-INIZCTEOSA-N 0 0 314.366 3.682 50 5 DHBARN Cc1cccc(C(=O)N[C@H](C)CCc2ccccc2)c1[N+](=O)[O-] ZINC000000464964 180799232 /nfs/dbraw/zinc/79/92/32/180799232.db2.gz ZQYSJDGFJUBACZ-CQSZACIVSA-N 0 0 312.369 3.654 50 5 DHBARN CCOc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000471739 180801529 /nfs/dbraw/zinc/80/15/29/180801529.db2.gz JSRFXFPBFMHRFA-LBPRGKRZSA-N 0 0 314.341 3.736 50 5 DHBARN O=C(Nc1nc2ccc(F)cc2s1)c1ccccc1[N+](=O)[O-] ZINC000001838513 180897962 /nfs/dbraw/zinc/89/79/62/180897962.db2.gz XWHZRMWLLUPWAG-UHFFFAOYSA-N 0 0 317.301 3.596 50 5 DHBARN CCOc1ccc(NC(=O)c2cc(C)cc(C)c2)c([N+](=O)[O-])c1 ZINC000004006361 181061479 /nfs/dbraw/zinc/06/14/79/181061479.db2.gz MZJVDUIOVLRFEF-UHFFFAOYSA-N 0 0 314.341 3.863 50 5 DHBARN O=C(COc1cccc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000004176601 181081632 /nfs/dbraw/zinc/08/16/32/181081632.db2.gz CSJMVNABICPWHF-UHFFFAOYSA-N 0 0 322.320 3.766 50 5 DHBARN Cc1cccc(OCCNc2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000004117559 181075526 /nfs/dbraw/zinc/07/55/26/181075526.db2.gz WRSRJLMJBUWYOQ-UHFFFAOYSA-N 0 0 323.352 3.942 50 5 DHBARN O=[N+]([O-])c1ccc(Cl)cc1NCCOc1ccc(F)cc1 ZINC000004119379 181075945 /nfs/dbraw/zinc/07/59/45/181075945.db2.gz LMZARVNLXUEYCP-UHFFFAOYSA-N 0 0 310.712 3.878 50 5 DHBARN O=[N+]([O-])c1ccc2ncnc(NCc3ccc(Cl)cc3)c2c1 ZINC000004118679 181076020 /nfs/dbraw/zinc/07/60/20/181076020.db2.gz RGTNGFYJBUGPDI-UHFFFAOYSA-N 0 0 314.732 3.804 50 5 DHBARN C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C12CC3CC(CC(C3)C1)C2 ZINC000004520401 181119851 /nfs/dbraw/zinc/11/98/51/181119851.db2.gz MAIPNGKCZNLSRR-DKHPWKACSA-N 0 0 318.373 3.523 50 5 DHBARN O=C(CSc1ccc(F)cc1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000004564066 181124394 /nfs/dbraw/zinc/12/43/94/181124394.db2.gz KIJUBTJDJCXFKG-UHFFFAOYSA-N 0 0 324.308 3.604 50 5 DHBARN O=C(CCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004690913 181137052 /nfs/dbraw/zinc/13/70/52/181137052.db2.gz ZICCGJFFJCKFSD-UHFFFAOYSA-N 0 0 304.733 3.820 50 5 DHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(C(C)C)cc1 ZINC000004689105 181137166 /nfs/dbraw/zinc/13/71/66/181137166.db2.gz COHRAHKEDQNAEC-UHFFFAOYSA-N 0 0 314.341 3.979 50 5 DHBARN O=C(Cn1cc(/C=C\[N+](=O)[O-])c2ccccc21)Nc1ccccc1 ZINC000004746817 181146875 /nfs/dbraw/zinc/14/68/75/181146875.db2.gz ADXBIMIKLYJREK-KHPPLWFESA-N 0 0 321.336 3.527 50 5 DHBARN Cc1ccc(NC(=O)NCc2ccc(C)c(C)c2)c([N+](=O)[O-])c1 ZINC000004799915 181153044 /nfs/dbraw/zinc/15/30/44/181153044.db2.gz DAVSDSXWLZGUDH-UHFFFAOYSA-N 0 0 313.357 3.842 50 5 DHBARN Cc1ccc(NC(=O)OCCOc2ccccc2)c([N+](=O)[O-])c1 ZINC000004799791 181153089 /nfs/dbraw/zinc/15/30/89/181153089.db2.gz ADGNLCCHMLKQDW-UHFFFAOYSA-N 0 0 316.313 3.531 50 5 DHBARN Cc1nc2cc3nc4c5cccc6cccc(c(=O)n4c3cc2[nH]1)c65 ZINC000004813249 181155378 /nfs/dbraw/zinc/15/53/78/181155378.db2.gz UPJUPRXOMWMLSJ-UHFFFAOYSA-N 0 0 324.343 3.777 50 5 DHBARN O=C(CSc1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000004829623 181157805 /nfs/dbraw/zinc/15/78/05/181157805.db2.gz GIMLXIMAGUOGMP-UHFFFAOYSA-N 0 0 322.773 3.979 50 5 DHBARN Cc1csc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000004828860 181157853 /nfs/dbraw/zinc/15/78/53/181157853.db2.gz PKRQTDNPTXCTGF-UHFFFAOYSA-N 0 0 312.738 3.657 50 5 DHBARN COc1ccc(C(C)=O)cc1COc1ccc(C)c([N+](=O)[O-])c1 ZINC000004870352 181166975 /nfs/dbraw/zinc/16/69/75/181166975.db2.gz ZIURQUKZKSPDCO-UHFFFAOYSA-N 0 0 315.325 3.693 50 5 DHBARN C[C@H](Oc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005010168 181190533 /nfs/dbraw/zinc/19/05/33/181190533.db2.gz RBGDENVWEFXKFQ-JTQLQIEISA-N 0 0 320.732 3.654 50 5 DHBARN C[C@@H](NC(=O)CSc1ccsc1[N+](=O)[O-])c1ccccc1 ZINC000005035969 181194496 /nfs/dbraw/zinc/19/44/96/181194496.db2.gz DXRWLUWLZLFLJQ-SNVBAGLBSA-N 0 0 322.411 3.626 50 5 DHBARN CC(=O)c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000005042001 181195349 /nfs/dbraw/zinc/19/53/49/181195349.db2.gz BAAFYIGVLKZDFT-UHFFFAOYSA-N 0 0 313.313 3.750 50 5 DHBARN CCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000005050691 181196890 /nfs/dbraw/zinc/19/68/90/181196890.db2.gz OJSTWAMQRHHQIX-UHFFFAOYSA-N 0 0 320.732 3.899 50 5 DHBARN COc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1Cl ZINC000005093457 181203346 /nfs/dbraw/zinc/20/33/46/181203346.db2.gz UKIVZAZPWLSXJX-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(SC)c1 ZINC000005222666 181218591 /nfs/dbraw/zinc/21/85/91/181218591.db2.gz IXXNTHZNODBDMD-UHFFFAOYSA-N 0 0 318.354 3.578 50 5 DHBARN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2nc(C)c(Cl)c(C)c12 ZINC000005354107 181233709 /nfs/dbraw/zinc/23/37/09/181233709.db2.gz WUUZCJBJQSLWPL-UHFFFAOYSA-N 0 0 316.748 3.907 50 5 DHBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCc2ccccc21 ZINC000005442884 181243775 /nfs/dbraw/zinc/24/37/75/181243775.db2.gz MDMFRPNFIXSSMB-LVMGUKCRSA-N 0 0 322.364 3.802 50 5 DHBARN CCN(CC)c1ccc(-n2cnc3cc([N+](=O)[O-])ccc32)cc1 ZINC000005947616 181299922 /nfs/dbraw/zinc/29/99/22/181299922.db2.gz WDAPLQGIFHIDBF-UHFFFAOYSA-N 0 0 310.357 3.780 50 5 DHBARN Cc1ccc(OCc2ccccc2Br)c([N+](=O)[O-])n1 ZINC000005970457 181301909 /nfs/dbraw/zinc/30/19/09/181301909.db2.gz DNTVMCHXDSGGBN-UHFFFAOYSA-N 0 0 323.146 3.640 50 5 DHBARN N=c1oc2ccc3ccccc3c2cc1C(=O)Nc1cncs1 ZINC000006476688 181343584 /nfs/dbraw/zinc/34/35/84/181343584.db2.gz KJQNTLVFAPHDBB-UHFFFAOYSA-N 0 0 321.361 3.774 50 5 DHBARN C[C@@H]1CCC[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000007518772 181471725 /nfs/dbraw/zinc/47/17/25/181471725.db2.gz KOFNBXFPVFPOHV-GYSYKLTISA-N 0 0 307.419 3.706 50 5 DHBARN CC(C)NC(=O)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000008020291 181519181 /nfs/dbraw/zinc/51/91/81/181519181.db2.gz URSFVIXVVJOCQN-UHFFFAOYSA-N 0 0 308.721 3.646 50 5 DHBARN COc1ccc([N+](=O)[O-])cc1OCCOc1cc(C)ccc1C ZINC000014735864 181968313 /nfs/dbraw/zinc/96/83/13/181968313.db2.gz XTTGLZPOQZTJMD-UHFFFAOYSA-N 0 0 317.341 3.678 50 5 DHBARN CCc1noc(-c2ccc(NC3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000020897987 182252115 /nfs/dbraw/zinc/25/21/15/182252115.db2.gz QTZWFCFWPFZKQP-UHFFFAOYSA-N 0 0 302.334 3.562 50 5 DHBARN Cc1ccc2c(cccc2NC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000021595884 182280987 /nfs/dbraw/zinc/28/09/87/182280987.db2.gz AYFURDAXHQHYRP-UHFFFAOYSA-N 0 0 307.309 3.704 50 5 DHBARN O=c1cc(-c2cccc(Cl)c2)[nH]c2ccc([N+](=O)[O-])cc12 ZINC000021657983 182282879 /nfs/dbraw/zinc/28/28/79/182282879.db2.gz LLPNSVUWZSLPON-UHFFFAOYSA-N 0 0 300.701 3.757 50 5 DHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)C1(c2cccc(Cl)c2)CC1 ZINC000024716294 182388737 /nfs/dbraw/zinc/38/87/37/182388737.db2.gz BLJMQFBXLVVKON-UHFFFAOYSA-N 0 0 316.744 3.919 50 5 DHBARN CC(=O)c1ccc(NCc2cc(C)c(O)c(C)c2)c([N+](=O)[O-])c1 ZINC000036394588 182824071 /nfs/dbraw/zinc/82/40/71/182824071.db2.gz LBGHECPYHIRSIU-UHFFFAOYSA-N 0 0 314.341 3.732 50 5 DHBARN O=C(NCc1ccccc1F)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000040099044 183034925 /nfs/dbraw/zinc/03/49/25/183034925.db2.gz QAPXANJEQWZLNX-UHFFFAOYSA-N 0 0 323.711 3.709 50 5 DHBARN O=[N+]([O-])c1c2cccnc2ccc1N1CCc2sccc2C1 ZINC000042110124 183232729 /nfs/dbraw/zinc/23/27/29/183232729.db2.gz IFHWSXHIHUPZGI-UHFFFAOYSA-N 0 0 311.366 3.767 50 5 DHBARN Cc1c(NC(=O)NC[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000043347943 183356456 /nfs/dbraw/zinc/35/64/56/183356456.db2.gz SZMLQVQQTNLGSG-LBPRGKRZSA-N 0 0 313.357 3.828 50 5 DHBARN CC(C)=C[C@H]1[C@H](C(=O)Oc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000057983586 184063863 /nfs/dbraw/zinc/06/38/63/184063863.db2.gz NGZJXHYURJYHGJ-SMDDNHRTSA-N 0 0 307.321 3.878 50 5 DHBARN COc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1cccc(C)c1 ZINC000059116460 184134577 /nfs/dbraw/zinc/13/45/77/184134577.db2.gz RQPDHEFWNAENEA-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN CCCNc1cc(OCC)c(Br)cc1[N+](=O)[O-] ZINC000065336892 184324973 /nfs/dbraw/zinc/32/49/73/184324973.db2.gz AISIHUDSSRSTMW-UHFFFAOYSA-N 0 0 303.156 3.578 50 5 DHBARN O=C(O[C@H]1C=C[C@@H]2CC[C@@H]3CC[C@H]1[C@H]23)c1ccc([N+](=O)[O-])cc1 ZINC000071785736 257217276 /nfs/dbraw/zinc/21/72/76/257217276.db2.gz JRZRZDAXZSLBIC-XIVGLXKZSA-N 0 0 313.353 3.742 50 5 DHBARN Cc1nccn1CCCn1c2ccccc2c2ccccc2c1=O ZINC000095355257 563529029 /nfs/dbraw/zinc/52/90/29/563529029.db2.gz WRXOKFATCOZEEJ-UHFFFAOYSA-N 0 0 317.392 3.750 50 5 DHBARN Cc1cccc(OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000000122305 563571520 /nfs/dbraw/zinc/57/15/20/563571520.db2.gz FFUGSSRKXJGEGV-UHFFFAOYSA-N 0 0 314.341 3.538 50 5 DHBARN O=C(Cc1ccccc1)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000000135807 563572110 /nfs/dbraw/zinc/57/21/10/563572110.db2.gz RTEURPYXGYUFOP-UHFFFAOYSA-N 0 0 305.717 3.534 50 5 DHBARN O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(F)cc1 ZINC000000180267 563575637 /nfs/dbraw/zinc/57/56/37/563575637.db2.gz RXWOWSLGPJPAOP-HNNXBMFYSA-N 0 0 318.329 3.513 50 5 DHBARN O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3Cl)no2)cc1 ZINC000000196338 563576856 /nfs/dbraw/zinc/57/68/56/563576856.db2.gz WYBLAHOIEJJSLF-UHFFFAOYSA-N 0 0 301.689 3.965 50 5 DHBARN O=C(Nc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])o1 ZINC000000259772 563582551 /nfs/dbraw/zinc/58/25/51/563582551.db2.gz SAKLSJGSRHLKKG-UHFFFAOYSA-N 0 0 301.085 3.747 50 5 DHBARN CC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000000265389 563583392 /nfs/dbraw/zinc/58/33/92/563583392.db2.gz JZGSWKBXRILLQZ-UHFFFAOYSA-N 0 0 318.716 3.703 50 5 DHBARN C[C@@H](CCc1ccccc1)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000000315023 563587517 /nfs/dbraw/zinc/58/75/17/563587517.db2.gz SWWSRIXWBINTKY-LHNRBYRGSA-N 0 0 324.380 3.746 50 5 DHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H](C)c1ccccc1 ZINC000000319162 563587540 /nfs/dbraw/zinc/58/75/40/563587540.db2.gz XUOYCWOAVHYVOD-GFCCVEGCSA-N 0 0 314.341 3.736 50 5 DHBARN O=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000311890 563587660 /nfs/dbraw/zinc/58/76/60/563587660.db2.gz NGUYWFYVLFBHLK-UHFFFAOYSA-N 0 0 312.659 3.779 50 5 DHBARN Cc1ccc(C)c(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)c1 ZINC000000325390 563588025 /nfs/dbraw/zinc/58/80/25/563588025.db2.gz JSOOWXBGFFFLLE-YBEGLDIGSA-N 0 0 322.320 3.556 50 5 DHBARN Cc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000000375319 563591301 /nfs/dbraw/zinc/59/13/01/563591301.db2.gz DCLQDNUNRVCWNL-FNORWQNLSA-N 0 0 306.705 3.802 50 5 DHBARN Cc1c2oc(=O)c3ccccc3c2cc2c1OC(C)(C)CC2=O ZINC000011867374 563600682 /nfs/dbraw/zinc/60/06/82/563600682.db2.gz ZDQFWODCABJCNR-UHFFFAOYSA-N 0 0 308.333 3.998 50 5 DHBARN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1 ZINC000000457199 563615677 /nfs/dbraw/zinc/61/56/77/563615677.db2.gz GVYXJXMLDJTSMI-CYBMUJFWSA-N 0 0 302.305 3.866 50 5 DHBARN COCc1cc(C)nc2sc(-c3ccc([N+](=O)[O-])o3)c(N)c21 ZINC000001030398 563619676 /nfs/dbraw/zinc/61/96/76/563619676.db2.gz JQKPVSROJIMYJR-UHFFFAOYSA-N 0 0 319.342 3.502 50 5 DHBARN CC(=O)c1c(C)nn(-c2ccccc2)c1-c1ccccc1[N+](=O)[O-] ZINC000000173444 563620217 /nfs/dbraw/zinc/62/02/17/563620217.db2.gz BLONEGBCAUDOMU-UHFFFAOYSA-N 0 0 321.336 3.959 50 5 DHBARN COc1cc(NC(=O)c2ccccc2)c(Cl)cc1[N+](=O)[O-] ZINC000005320475 563624203 /nfs/dbraw/zinc/62/42/03/563624203.db2.gz NXQBYSXKKZOHKE-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000475518 563624388 /nfs/dbraw/zinc/62/43/88/563624388.db2.gz PXWYUIWAGWVOCG-NSHDSACASA-N 0 0 314.316 3.715 50 5 DHBARN Cc1ccc(OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000000496751 563650582 /nfs/dbraw/zinc/65/05/82/563650582.db2.gz QWFDDXRFLOGCHM-UHFFFAOYSA-N 0 0 311.297 3.532 50 5 DHBARN Cc1ccc(C(=O)Nc2cccc3ncccc32)cc1[N+](=O)[O-] ZINC000000556420 563669360 /nfs/dbraw/zinc/66/93/60/563669360.db2.gz ZLISGUNZKGDKST-UHFFFAOYSA-N 0 0 307.309 3.704 50 5 DHBARN Cc1c(C(=O)Nc2cccc(-c3cnco3)c2)cccc1[N+](=O)[O-] ZINC000048241960 563694380 /nfs/dbraw/zinc/69/43/80/563694380.db2.gz OTVRGHBKLDZCAL-UHFFFAOYSA-N 0 0 323.308 3.811 50 5 DHBARN Cc1cc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)n(C)n1 ZINC000048272886 563694654 /nfs/dbraw/zinc/69/46/54/563694654.db2.gz PNBWYHJVFFBVBC-UHFFFAOYSA-N 0 0 315.358 3.504 50 5 DHBARN CCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(C)s1 ZINC000048303694 563694810 /nfs/dbraw/zinc/69/48/10/563694810.db2.gz MMIZTLMURCBNER-UHFFFAOYSA-N 0 0 304.371 3.627 50 5 DHBARN Cc1cc(NCCc2ccc(-n3cccn3)cc2)ccc1[N+](=O)[O-] ZINC000048250418 563695069 /nfs/dbraw/zinc/69/50/69/563695069.db2.gz VKIURELWCQRWDT-UHFFFAOYSA-N 0 0 322.368 3.744 50 5 DHBARN COc1cc(NC(=O)Nc2ccc(C)cc2)cc([N+](=O)[O-])c1 ZINC000001002166 563787046 /nfs/dbraw/zinc/78/70/46/563787046.db2.gz RMAVCEAOKKMEAX-UHFFFAOYSA-N 0 0 301.302 3.556 50 5 DHBARN Cc1ccccc1-c1nc(COc2ccc([N+](=O)[O-])cc2)no1 ZINC000034906946 563795561 /nfs/dbraw/zinc/79/55/61/563795561.db2.gz HSOCNCMJPYSALE-UHFFFAOYSA-N 0 0 311.297 3.532 50 5 DHBARN CC(C)=C[C@H]1[C@@H](C(=O)OCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000084671198 563829796 /nfs/dbraw/zinc/82/97/96/563829796.db2.gz OPZSANIOIAAUSP-ZFWWWQNUSA-N 0 0 303.358 3.876 50 5 DHBARN CCCc1nccn1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000084759073 563830715 /nfs/dbraw/zinc/83/07/15/563830715.db2.gz KRKMQEQDLJSRTI-UHFFFAOYSA-N 0 0 303.362 3.579 50 5 DHBARN CCn1c2cc3ccccc3cc2nc(-c2ccccc2N)c1=O ZINC000075279580 563862902 /nfs/dbraw/zinc/86/29/02/563862902.db2.gz PMFMGGFHASDDNI-UHFFFAOYSA-N 0 0 315.376 3.819 50 5 DHBARN CC1(C)C[C@@]2(O[C@H]2c2cccc([N+](=O)[O-])c2)C(=O)c2ccccc21 ZINC000001744781 563874399 /nfs/dbraw/zinc/87/43/99/563874399.db2.gz IDDOVPNRRHNRRQ-PKOBYXMFSA-N 0 0 323.348 3.969 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)OCCOc1ccccc1 ZINC000001753382 563877681 /nfs/dbraw/zinc/87/76/81/563877681.db2.gz ZPIHQQGGHSGURF-UHFFFAOYSA-N 0 0 316.313 3.531 50 5 DHBARN Cc1cc([N+](=O)[O-])cnc1NCc1csc(-c2ccco2)n1 ZINC000092684745 563882608 /nfs/dbraw/zinc/88/26/08/563882608.db2.gz NANYULJVWITXIO-UHFFFAOYSA-N 0 0 316.342 3.627 50 5 DHBARN Oc1ccc2c(c1)oc1c2nc2n[nH]cc2c1-c1cccnc1 ZINC000096115571 563890277 /nfs/dbraw/zinc/89/02/77/563890277.db2.gz PCOKQVBCLNPCQK-UHFFFAOYSA-N 0 0 302.293 3.625 50 5 biogenic DHBARN CCc1nc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cs1 ZINC000192845345 563897607 /nfs/dbraw/zinc/89/76/07/563897607.db2.gz HSFNWNRUWFHJOM-HNNXBMFYSA-N 0 0 317.414 3.781 50 5 DHBARN CC(=O)c1ccc(NCCc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000007366895 563905361 /nfs/dbraw/zinc/90/53/61/563905361.db2.gz QPCGVWNUAWYEEA-UHFFFAOYSA-N 0 0 302.305 3.591 50 5 DHBARN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC(c2ncc[nH]2)CC1 ZINC000170606587 563907648 /nfs/dbraw/zinc/90/76/48/563907648.db2.gz YIIVNEXNQLBUJT-UHFFFAOYSA-N 0 0 320.780 3.664 50 5 DHBARN O=C(Nc1nc(-c2ccco2)cs1)c1ccc([N+](=O)[O-])s1 ZINC000076383524 563912782 /nfs/dbraw/zinc/91/27/82/563912782.db2.gz RYYABALYWICQJI-UHFFFAOYSA-N 0 0 321.339 3.625 50 5 DHBARN O=C1Nc2ccccc2/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000012599487 563928777 /nfs/dbraw/zinc/92/87/77/563928777.db2.gz PHKDAHPCWFOZDP-YRNVUSSQSA-N 0 0 300.701 3.741 50 5 DHBARN CCNC(=O)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000013140846 563929390 /nfs/dbraw/zinc/92/93/90/563929390.db2.gz XTETYTKPOCLMDR-UHFFFAOYSA-N 0 0 320.345 3.635 50 5 DHBARN O=C(NC1CCCCCCC1)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000095352081 563931139 /nfs/dbraw/zinc/93/11/39/563931139.db2.gz CXXOCZNRBNMPIB-UHFFFAOYSA-N 0 0 315.373 3.919 50 5 DHBARN Cc1cc(Nc2ccc(F)cc2[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC000096009800 563934950 /nfs/dbraw/zinc/93/49/50/563934950.db2.gz HJMUZUSAWJCOLT-JTQLQIEISA-N 0 0 304.325 3.953 50 5 DHBARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000002550016 563938595 /nfs/dbraw/zinc/93/85/95/563938595.db2.gz JJJCKJORTNOIAC-UHFFFAOYSA-N 0 0 310.231 3.866 50 5 DHBARN O=C(N[C@H](c1cccs1)C1CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000032398371 563945664 /nfs/dbraw/zinc/94/56/64/563945664.db2.gz JACSXKHWBOJIEI-AWEZNQCLSA-N 0 0 320.370 3.911 50 5 DHBARN O=C(NOCc1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000069457842 563952957 /nfs/dbraw/zinc/95/29/57/563952957.db2.gz VJOKZHFHTQOOMQ-UHFFFAOYSA-N 0 0 321.720 3.502 50 5 DHBARN CN(C)c1ccc(Cl)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000069773379 563954631 /nfs/dbraw/zinc/95/46/31/563954631.db2.gz NGTIMLBKTJPCNA-UHFFFAOYSA-N 0 0 319.748 3.567 50 5 DHBARN Cc1nc(-c2ccc(NCCc3ccccc3)c([N+](=O)[O-])c2)no1 ZINC000009669035 563957382 /nfs/dbraw/zinc/95/73/82/563957382.db2.gz NNEZCORPWCVHGY-UHFFFAOYSA-N 0 0 324.340 3.608 50 5 DHBARN CC[C@@](C)(NCc1cccc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000174502363 563957558 /nfs/dbraw/zinc/95/75/58/563957558.db2.gz QIXDKOIXSQTRSD-OAHLLOKOSA-N 0 0 305.403 3.775 50 5 DHBARN CCc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000027315641 568420978 /nfs/dbraw/zinc/42/09/78/568420978.db2.gz LRVKHYPUSABZGW-UHFFFAOYSA-N 0 0 306.268 3.688 50 5 DHBARN CCOc1ccccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000000464800 1019923630 /nfs/dbraw/zinc/92/36/30/1019923630.db2.gz CBOQAZRBPQLFBS-VAWYXSNFSA-N 0 0 312.325 3.645 50 5 DHBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1Cl ZINC000000464537 1019923746 /nfs/dbraw/zinc/92/37/46/1019923746.db2.gz GHQGPISGCJIZJX-MDZDMXLPSA-N 0 0 302.717 3.900 50 5 DHBARN O=[N+]([O-])c1cc(OC(F)(F)Cl)c(Br)cc1F ZINC000095215593 1026121227 /nfs/dbraw/zinc/12/12/27/1026121227.db2.gz WKKYMMYCSCUYIY-UHFFFAOYSA-N 0 0 320.448 3.664 50 5 DHBARN C[C@@H](Nc1ncc([N+](=O)[O-])s1)c1ccc2ncsc2c1 ZINC000253395175 186304298 /nfs/dbraw/zinc/30/42/98/186304298.db2.gz NFRGBCFCKBYFGE-SSDOTTSWSA-N 0 0 306.372 3.834 50 5 DHBARN COc1ccc(C(=O)Nc2ccccc2C(C)C)cc1[N+](=O)[O-] ZINC000000117040 180698295 /nfs/dbraw/zinc/69/82/95/180698295.db2.gz QKAKQJZOOUDULA-UHFFFAOYSA-N 0 0 314.341 3.979 50 5 DHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cccc(Cl)c1 ZINC000000145364 180707608 /nfs/dbraw/zinc/70/76/08/180707608.db2.gz ZTZMPGXGBYJJJZ-UHFFFAOYSA-N 0 0 321.720 3.901 50 5 aggregator DHBARN O=[N+]([O-])c1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000000572114 180824217 /nfs/dbraw/zinc/82/42/17/180824217.db2.gz VUTODTOTRHJTAV-UHFFFAOYSA-N 0 0 301.689 3.965 50 5 DHBARN O=C(NCCC1=CCCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000001516954 180871453 /nfs/dbraw/zinc/87/14/53/180871453.db2.gz QPFSCWLCUWGXGR-UHFFFAOYSA-N 0 0 308.765 3.869 50 5 DHBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1Cl ZINC000003314795 181003629 /nfs/dbraw/zinc/00/36/29/181003629.db2.gz QFEGPQVJOBVIQJ-UHFFFAOYSA-N 0 0 309.680 3.744 50 5 DHBARN Cc1ccc(OCc2ccc(Br)cc2)c([N+](=O)[O-])n1 ZINC000003333569 181006817 /nfs/dbraw/zinc/00/68/17/181006817.db2.gz IFDGERBZNBLBRL-UHFFFAOYSA-N 0 0 323.146 3.640 50 5 DHBARN CCc1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])s1 ZINC000004078831 181070401 /nfs/dbraw/zinc/07/04/01/181070401.db2.gz YTQHWWVZNNZOIK-VQHVLOKHSA-N 0 0 302.355 3.871 50 5 DHBARN C[C@@H]1CCCC[C@H]1Nc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC000004183766 181082412 /nfs/dbraw/zinc/08/24/12/181082412.db2.gz YTZABSJRIVRGPQ-ZYHUDNBSSA-N 0 0 302.330 3.692 50 5 DHBARN Cc1cc2cc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000004138065 181077841 /nfs/dbraw/zinc/07/78/41/181077841.db2.gz XRFOBJRPGWMANT-UHFFFAOYSA-N 0 0 323.352 3.623 50 5 aggregator DHBARN Cc1ccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)cc1 ZINC000004184979 181083413 /nfs/dbraw/zinc/08/34/13/181083413.db2.gz GPVHMPAAIHEJBD-UHFFFAOYSA-N 0 0 313.356 3.813 50 5 DHBARN CCOC(=O)Cn1c2ccc(C)cc2c2nc3ccccc3nc21 ZINC000004414421 181107898 /nfs/dbraw/zinc/10/78/98/181107898.db2.gz YJBOUMUHRMLTQF-UHFFFAOYSA-N 0 0 319.364 3.609 50 5 DHBARN O=C(NCc1cccc(Cl)c1)Nc1csc([N+](=O)[O-])c1 ZINC000004389477 181105909 /nfs/dbraw/zinc/10/59/09/181105909.db2.gz LXDBTZRVSBJRTP-UHFFFAOYSA-N 0 0 311.750 3.631 50 5 DHBARN CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000004599222 181128890 /nfs/dbraw/zinc/12/88/90/181128890.db2.gz XXEMVWJWUFWUQQ-UHFFFAOYSA-N 0 0 318.760 3.911 50 5 DHBARN Cc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)ccc1[N+](=O)[O-] ZINC000004699896 181138995 /nfs/dbraw/zinc/13/89/95/181138995.db2.gz CVXJXALNCSMXMM-UHFFFAOYSA-N 0 0 314.385 3.602 50 5 DHBARN COc1ccc(OC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000004799799 181153381 /nfs/dbraw/zinc/15/33/81/181153381.db2.gz FNGYFMPSQBWNKX-UHFFFAOYSA-N 0 0 302.286 3.523 50 5 DHBARN Cc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2s1 ZINC000004837796 181159970 /nfs/dbraw/zinc/15/99/70/181159970.db2.gz BSGOHBWABRUBQI-UHFFFAOYSA-N 0 0 313.338 3.765 50 5 DHBARN O=C(Nc1cc([N+](=O)[O-])ccc1N1CCCC1)c1cccs1 ZINC000005049825 181196937 /nfs/dbraw/zinc/19/69/37/181196937.db2.gz HHCUYHFLHNSNFT-UHFFFAOYSA-N 0 0 317.370 3.509 50 5 DHBARN COc1ccc(NC(=O)Nc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000005094453 181203098 /nfs/dbraw/zinc/20/30/98/181203098.db2.gz VAXZVMJEALHROP-UHFFFAOYSA-N 0 0 321.720 3.901 50 5 DHBARN O=C1c2ccccc2CC[C@]12N=NC[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000005253032 181222279 /nfs/dbraw/zinc/22/22/79/181222279.db2.gz ACCOTTALHJCHOV-FUHWJXTLSA-N 0 0 321.336 3.712 50 5 DHBARN C[C@@H](Oc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2c(c1)CCC2 ZINC000006060905 181309582 /nfs/dbraw/zinc/30/95/82/181309582.db2.gz WTEORTMYASAAFF-GFCCVEGCSA-N 0 0 311.337 3.734 50 5 DHBARN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCc2sccc21 ZINC000192491866 200888245 /nfs/dbraw/zinc/88/82/45/200888245.db2.gz XMGHBFNHAURJND-GFCCVEGCSA-N 0 0 316.382 3.772 50 5 DHBARN CC[C@H](NC(=O)c1cccc(OC)c1[N+](=O)[O-])c1cccs1 ZINC000194105110 201177980 /nfs/dbraw/zinc/17/79/80/201177980.db2.gz TYTIZVPMDCCNMU-NSHDSACASA-N 0 0 320.370 3.546 50 5 DHBARN CCc1ccccc1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000006508030 181347619 /nfs/dbraw/zinc/34/76/19/181347619.db2.gz MQTUVMMZILYQSQ-LBPRGKRZSA-N 0 0 313.357 3.596 50 5 DHBARN Cc1cc2nc(Oc3ccccc3[N+](=O)[O-])c3ccccc3n2n1 ZINC000007737810 181491410 /nfs/dbraw/zinc/49/14/10/181491410.db2.gz QYBUUMBWALKMJS-UHFFFAOYSA-N 0 0 320.308 3.891 50 5 DHBARN CO[C@@H](C)c1nc(COc2ccc([N+](=O)[O-])cc2C)cs1 ZINC000096484691 193665918 /nfs/dbraw/zinc/66/59/18/193665918.db2.gz RJGXHLNOQLZYCD-JTQLQIEISA-N 0 0 308.359 3.646 50 5 DHBARN Cc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)nc1 ZINC000008724698 181578747 /nfs/dbraw/zinc/57/87/47/181578747.db2.gz YGMDBWPMASUNQI-UHFFFAOYSA-N 0 0 313.338 3.765 50 5 DHBARN CC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000009153982 181604161 /nfs/dbraw/zinc/60/41/61/181604161.db2.gz FZEFWPDDSNZBPE-UHFFFAOYSA-N 0 0 304.371 3.682 50 5 DHBARN Cc1cccc(OCCCn2ncc3ccc([N+](=O)[O-])cc32)c1 ZINC000012923012 181812275 /nfs/dbraw/zinc/81/22/75/181812275.db2.gz BRZOXNVLNMWTGL-UHFFFAOYSA-N 0 0 311.341 3.722 50 5 DHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(C)cc1C ZINC000017053140 182071618 /nfs/dbraw/zinc/07/16/18/182071618.db2.gz RVXSIWFVGXRWED-UHFFFAOYSA-N 0 0 315.329 3.864 50 5 DHBARN CCNc1nnc(Sc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000022062059 182306894 /nfs/dbraw/zinc/30/68/94/182306894.db2.gz YBLBZMGHTSOQHX-UHFFFAOYSA-N 0 0 316.795 3.683 50 5 DHBARN O=[N+]([O-])c1cc(Br)ccc1OCc1ccccc1 ZINC000042388922 183262427 /nfs/dbraw/zinc/26/24/27/183262427.db2.gz HUELJXGNXNSEQJ-UHFFFAOYSA-N 0 0 308.131 3.936 50 5 DHBARN Cc1cccc(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1C ZINC000055824349 183998010 /nfs/dbraw/zinc/99/80/10/183998010.db2.gz PIZJTQXYYDEBMR-UHFFFAOYSA-N 0 0 324.340 3.874 50 5 DHBARN Cc1ncoc1CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408518366 257255181 /nfs/dbraw/zinc/25/51/81/257255181.db2.gz DGNOIYNLUHFMNC-UHFFFAOYSA-N 0 0 301.224 3.522 50 5 DHBARN O=[N+]([O-])c1ccc([C@@H]2CN[C@@H](c3ccccc3Cl)O2)cc1 ZINC000019805829 257269014 /nfs/dbraw/zinc/26/90/14/257269014.db2.gz HDEINWKFOMDNAV-LSDHHAIUSA-N 0 0 304.733 3.608 50 5 DHBARN Cc1ccc(C(=O)N2CCCc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000040117208 134709993 /nfs/dbraw/zinc/70/99/93/134709993.db2.gz NNDHACLEWBDCQY-UHFFFAOYSA-N 0 0 314.316 3.635 50 5 DHBARN COc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000059919 331458841 /nfs/dbraw/zinc/45/88/41/331458841.db2.gz IBBNYLIVDFXAFQ-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN COc1ccccc1[C@@H](C)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000032825410 563399884 /nfs/dbraw/zinc/39/98/84/563399884.db2.gz CPMJQNUUVIUNRJ-CYBMUJFWSA-N 0 0 300.358 3.796 50 5 DHBARN C[C@@H](CNc1ccc([N+](=O)[O-])cc1F)N1CCc2ccccc21 ZINC000032923437 563412672 /nfs/dbraw/zinc/41/26/72/563412672.db2.gz ULOCESKKNDDPOS-LBPRGKRZSA-N 0 0 315.348 3.597 50 5 DHBARN Cc1cccc(Cl)c1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000072306405 563445312 /nfs/dbraw/zinc/44/53/12/563445312.db2.gz XOYHQCOSUQHWIR-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN Cc1cc(C(=O)N[C@@H](c2ccccc2)C2CC2)ccc1[N+](=O)[O-] ZINC000011204272 563480553 /nfs/dbraw/zinc/48/05/53/563480553.db2.gz PHKBYXVVQBWYTK-KRWDZBQOSA-N 0 0 310.353 3.784 50 5 DHBARN Cc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000011233902 563504091 /nfs/dbraw/zinc/50/40/91/563504091.db2.gz JTNXDLXKNUMNIB-QGZVFWFLSA-N 0 0 310.353 3.784 50 5 DHBARN Cc1nn(C)c(Oc2c(Cl)cccc2Cl)c1[N+](=O)[O-] ZINC000000079544 563520587 /nfs/dbraw/zinc/52/05/87/563520587.db2.gz XIJROLSOFWZYBV-UHFFFAOYSA-N 0 0 302.117 3.736 50 5 DHBARN O=[N+]([O-])c1ccc(CSc2nnc(-n3cccc3)s2)cc1 ZINC000000129133 563571531 /nfs/dbraw/zinc/57/15/31/563571531.db2.gz DVYMIUOLWVRKPA-UHFFFAOYSA-N 0 0 318.383 3.529 50 5 DHBARN O=C(C[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1)c1ccccc1 ZINC000000172904 563574625 /nfs/dbraw/zinc/57/46/25/563574625.db2.gz ZJXBEVHOWHRAGL-CQSZACIVSA-N 0 0 303.745 3.973 50 5 DHBARN CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1[N+](=O)[O-] ZINC000000187555 563576184 /nfs/dbraw/zinc/57/61/84/563576184.db2.gz QAROGJBMIFPKKF-KRWDZBQOSA-N 0 0 323.352 3.683 50 5 DHBARN Cc1nc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc1C ZINC000000253825 563582584 /nfs/dbraw/zinc/58/25/84/563582584.db2.gz DZJOMGGRLNEDSY-UHFFFAOYSA-N 0 0 311.750 3.574 50 5 DHBARN O=C(NCC1(c2ccccc2)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000000270899 563584074 /nfs/dbraw/zinc/58/40/74/563584074.db2.gz QRJFPAHDHIDVSO-UHFFFAOYSA-N 0 0 324.380 3.837 50 5 DHBARN COc1cc(CNc2cc(C)cc(C)c2)c([N+](=O)[O-])cc1OC ZINC000000293089 563584752 /nfs/dbraw/zinc/58/47/52/563584752.db2.gz UKOSDVJVIZSLPJ-UHFFFAOYSA-N 0 0 316.357 3.841 50 5 DHBARN COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1[N+](=O)[O-] ZINC000000284722 563584856 /nfs/dbraw/zinc/58/48/56/563584856.db2.gz YGWBMLVVZVGJEE-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN O=c1c([N+](=O)[O-])c(Cl)c2ccccc2n1Cc1ccccc1 ZINC000000307336 563586706 /nfs/dbraw/zinc/58/67/06/563586706.db2.gz LPQZIJMSKXXKMU-UHFFFAOYSA-N 0 0 314.728 3.611 50 5 DHBARN CCN(CC)C(=O)/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000000306562 563586724 /nfs/dbraw/zinc/58/67/24/563586724.db2.gz ZWHRPRBKIDKZCY-PKNBQFBNSA-N 0 0 314.341 3.736 50 5 DHBARN Cc1ccc2c(c1)CCCN2C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000005060179 563596305 /nfs/dbraw/zinc/59/63/05/563596305.db2.gz KTTMEKBODYDJIB-UHFFFAOYSA-N 0 0 311.341 3.888 50 5 DHBARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000000423812 563612065 /nfs/dbraw/zinc/61/20/65/563612065.db2.gz IROVVGZWDBSCGX-MRXNPFEDSA-N 0 0 314.366 3.682 50 5 DHBARN Cc1c(C(=O)Nc2cc(Cl)ccc2O)cccc1[N+](=O)[O-] ZINC000000436598 563614115 /nfs/dbraw/zinc/61/41/15/563614115.db2.gz IRNGWZYUTDXUIE-UHFFFAOYSA-N 0 0 306.705 3.515 50 5 DHBARN O=C(NCc1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000000447627 563614985 /nfs/dbraw/zinc/61/49/85/563614985.db2.gz IZABQXHILHZHDJ-UHFFFAOYSA-N 0 0 322.320 3.785 50 5 DHBARN CCOc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000000456040 563615039 /nfs/dbraw/zinc/61/50/39/563615039.db2.gz ZNLGUXWEPWRKNO-UHFFFAOYSA-N 0 0 305.717 3.878 50 5 DHBARN Cc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000003020598 563621281 /nfs/dbraw/zinc/62/12/81/563621281.db2.gz FYTOHTNBUSMFTH-UHFFFAOYSA-N 0 0 313.338 3.765 50 5 DHBARN C[C@@H]1CC[C@H]2CCCC[C@@H]2N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005446612 563622298 /nfs/dbraw/zinc/62/22/98/563622298.db2.gz MOMLIPCTFFGVNI-IOASZLSFSA-N 0 0 302.374 3.778 50 5 DHBARN O=C(c1ccccc1)c1ccc2nc3nc4ccccn4c3nc2c1 ZINC000034478434 563625453 /nfs/dbraw/zinc/62/54/53/563625453.db2.gz VOWPQEYYUSQFKZ-UHFFFAOYSA-N 0 0 324.343 3.662 50 5 DHBARN O=c1oc2ccccc2c(Nc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000102360321 563659165 /nfs/dbraw/zinc/65/91/65/563659165.db2.gz FZKQUONUTNUPOI-GHRIWEEISA-N 0 0 316.700 3.932 50 5 DHBARN CCOc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])s2)c1 ZINC000000567838 563671541 /nfs/dbraw/zinc/67/15/41/563671541.db2.gz LLWPWIBKJOMVAS-SOFGYWHQSA-N 0 0 318.354 3.707 50 5 DHBARN O=C(N[C@@H]1CCCc2occc21)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110312829 563677550 /nfs/dbraw/zinc/67/75/50/563677550.db2.gz YRGAEVDKZJCBTB-LLVKDONJSA-N 0 0 320.732 3.649 50 5 DHBARN Cc1ccccc1NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000000613697 563698990 /nfs/dbraw/zinc/69/89/90/563698990.db2.gz MGTYSVHBOZWBRZ-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN COc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000000974772 563785768 /nfs/dbraw/zinc/78/57/68/563785768.db2.gz JBOUDUATEHZGBQ-UHFFFAOYSA-N 0 0 307.305 3.988 50 5 DHBARN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000025371131 563787470 /nfs/dbraw/zinc/78/74/70/563787470.db2.gz GSNFIXGQRKHNNM-SECBINFHSA-N 0 0 322.162 3.925 50 5 DHBARN CC(C)[C@H](Nc1ccc([N+](=O)[O-])cn1)c1nc2ccccc2[nH]1 ZINC000012525540 563797753 /nfs/dbraw/zinc/79/77/53/563797753.db2.gz LIFQWXYNQHWEGD-HNNXBMFYSA-N 0 0 311.345 3.675 50 5 DHBARN Cc1ccccc1NC(=O)CCCNc1ccccc1[N+](=O)[O-] ZINC000012556031 563801409 /nfs/dbraw/zinc/80/14/09/563801409.db2.gz ADFZGAMTQCDHGJ-UHFFFAOYSA-N 0 0 313.357 3.734 50 5 DHBARN Cc1ccc(OCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000013018862 563876591 /nfs/dbraw/zinc/87/65/91/563876591.db2.gz DETHWSOURYTYAT-UHFFFAOYSA-N 0 0 314.341 3.619 50 5 DHBARN CCCCc1nc2ccccc2c(=O)n1-c1cccc([N+](=O)[O-])c1 ZINC000001857415 563882283 /nfs/dbraw/zinc/88/22/83/563882283.db2.gz LONAHHDBALXQFD-UHFFFAOYSA-N 0 0 323.352 3.637 50 5 DHBARN Cc1cc(=O)oc2c(C)c(Oc3ncccc3[N+](=O)[O-])ccc12 ZINC000007186989 563904333 /nfs/dbraw/zinc/90/43/33/563904333.db2.gz WFHBOCWMSPZMCV-UHFFFAOYSA-N 0 0 312.281 3.505 50 5 DHBARN Cc1cccc2ncnc(NCCc3cccc([N+](=O)[O-])c3)c12 ZINC000170590973 563906614 /nfs/dbraw/zinc/90/66/14/563906614.db2.gz LSVSAZAPOKMPEZ-UHFFFAOYSA-N 0 0 308.341 3.501 50 5 DHBARN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000002166282 563916735 /nfs/dbraw/zinc/91/67/35/563916735.db2.gz DSZZTJNVLVSNPX-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN C[C@@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)c1ccc(F)cc1 ZINC000007757992 563918924 /nfs/dbraw/zinc/91/89/24/563918924.db2.gz WXPXNUUDYSBBSX-SECBINFHSA-N 0 0 307.252 3.523 50 5 DHBARN O=[N+]([O-])c1ccccc1CSc1nnc(C2CC2)n1C1CC1 ZINC000007902800 563920496 /nfs/dbraw/zinc/92/04/96/563920496.db2.gz BAQAKPOTNUVWBX-UHFFFAOYSA-N 0 0 316.386 3.691 50 5 DHBARN CC(=O)c1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000000263587 563920607 /nfs/dbraw/zinc/92/06/07/563920607.db2.gz LKNDRIVPQKWFRX-UHFFFAOYSA-N 0 0 319.700 3.670 50 5 DHBARN O=[N+]([O-])c1ccc(N2CCC(c3ccc(F)cc3)CC2)nc1 ZINC000018222841 563929483 /nfs/dbraw/zinc/92/94/83/563929483.db2.gz VFCCQIPTCGBIJL-UHFFFAOYSA-N 0 0 301.321 3.513 50 5 DHBARN Cc1cc(Nc2ccc(F)cc2[N+](=O)[O-])nn1[C@H](C)C1CC1 ZINC000096009801 563934957 /nfs/dbraw/zinc/93/49/57/563934957.db2.gz HJMUZUSAWJCOLT-SNVBAGLBSA-N 0 0 304.325 3.953 50 5 DHBARN CCCCc1cc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])n[nH]1 ZINC000096483260 563937441 /nfs/dbraw/zinc/93/74/41/563937441.db2.gz SOYPCJQOBONKLG-UHFFFAOYSA-N 0 0 322.752 3.566 50 5 DHBARN CO[C@H](C)c1nc(COc2ccc([N+](=O)[O-])cc2C)cs1 ZINC000096484690 563937489 /nfs/dbraw/zinc/93/74/89/563937489.db2.gz RJGXHLNOQLZYCD-SNVBAGLBSA-N 0 0 308.359 3.646 50 5 DHBARN COC(=O)c1c(-c2nc3ccccc3s2)cccc1[N+](=O)[O-] ZINC000002685234 563940413 /nfs/dbraw/zinc/94/04/13/563940413.db2.gz XTNOEJXSQOAKNN-UHFFFAOYSA-N 0 0 314.322 3.658 50 5 DHBARN Cc1ccc(NSc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003194816 563942614 /nfs/dbraw/zinc/94/26/14/563942614.db2.gz QLZFXXVANODYIJ-UHFFFAOYSA-N 0 0 305.315 3.931 50 5 DHBARN Cc1sc(C(=O)NCC(C)(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000032474673 563945815 /nfs/dbraw/zinc/94/58/15/563945815.db2.gz FVTSCVBWUCCJMV-UHFFFAOYSA-N 0 0 318.398 3.672 50 5 DHBARN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000008237531 563947299 /nfs/dbraw/zinc/94/72/99/563947299.db2.gz CTDDQZPVQCCHKC-NSHDSACASA-N 0 0 310.309 3.832 50 5 DHBARN O=C1OCC(c2ccc(Cl)cc2)=C1c1ccccc1[N+](=O)[O-] ZINC000008324403 563947785 /nfs/dbraw/zinc/94/77/85/563947785.db2.gz AAJMHSWYRUJLJZ-UHFFFAOYSA-N 0 0 315.712 3.716 50 5 DHBARN O=[N+]([O-])c1c(Sc2ccc(F)cc2F)nc2sccn21 ZINC000008338304 563948022 /nfs/dbraw/zinc/94/80/22/563948022.db2.gz PYNIZZUSWYTZQR-UHFFFAOYSA-N 0 0 313.310 3.733 50 5 DHBARN CC(C)(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000067032412 563948451 /nfs/dbraw/zinc/94/84/51/563948451.db2.gz AEOMAAQVJWMQIE-UHFFFAOYSA-N 0 0 324.380 3.852 50 5 DHBARN CCCOc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000008560953 563949135 /nfs/dbraw/zinc/94/91/35/563949135.db2.gz KHTXMIAMTKKOFO-UHFFFAOYSA-N 0 0 314.341 3.944 50 5 DHBARN CCc1noc(-c2ccc(N3CCCC[C@@H]3C)c([N+](=O)[O-])c2)n1 ZINC000008587116 563949187 /nfs/dbraw/zinc/94/91/87/563949187.db2.gz OIVUNRINSQHLOD-NSHDSACASA-N 0 0 316.361 3.586 50 5 DHBARN C[C@@H](Nc1c2ccccc2oc(=O)c1[N+](=O)[O-])c1ccccc1 ZINC000013572456 568413114 /nfs/dbraw/zinc/41/31/14/568413114.db2.gz UBWUFOROAVBWDP-LLVKDONJSA-N 0 0 310.309 3.874 50 5 DHBARN Cc1c(OCc2noc(-c3cccs3)n2)cccc1[N+](=O)[O-] ZINC000047355441 568415107 /nfs/dbraw/zinc/41/51/07/568415107.db2.gz DZKSXNSUJRTHBT-UHFFFAOYSA-N 0 0 317.326 3.594 50 5 DHBARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009426454 568421959 /nfs/dbraw/zinc/42/19/59/568421959.db2.gz GJKOUJZYXVUSGT-SNVBAGLBSA-N 0 0 316.744 3.840 50 5 DHBARN O=[N+]([O-])c1ccc(NC2(c3ccccc3)CCC2)c([N+](=O)[O-])c1 ZINC000072307606 1013723297 /nfs/dbraw/zinc/72/32/97/1013723297.db2.gz AVIGQTKPXLZVOB-UHFFFAOYSA-N 0 0 313.313 3.994 50 5 DHBARN O=[N+]([O-])c1ccc2[nH]c(C(Cl)=Cc3cccnc3)nc2c1 ZINC000051123215 1015088287 /nfs/dbraw/zinc/08/82/87/1015088287.db2.gz XXAZIJZMVYWHKU-IZZDOVSWSA-N 0 0 300.705 3.603 50 5 DHBARN N=c1sc2cc(Cl)ccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000023115218 1017876147 /nfs/dbraw/zinc/87/61/47/1017876147.db2.gz ZHZSAMIVFAOFFZ-UHFFFAOYSA-N 0 0 319.773 3.792 50 5 DHBARN Cc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000000463557 1019923793 /nfs/dbraw/zinc/92/37/93/1019923793.db2.gz CLDBPAZJMPMBML-UHFFFAOYSA-N 0 0 304.733 3.738 50 5 DHBARN O=[N+]([O-])c1cccc(Br)c1OC(F)(F)Cl ZINC000095215544 1026124825 /nfs/dbraw/zinc/12/48/25/1026124825.db2.gz LVQYQKRWBPFMGP-UHFFFAOYSA-N 0 0 302.458 3.525 50 5 DHBARN O=[N+]([O-])c1cnc(NCc2csc(C3CC3)n2)c(Cl)c1 ZINC000584906964 1029304001 /nfs/dbraw/zinc/30/40/01/1029304001.db2.gz RLGPCEISPHNGPO-UHFFFAOYSA-N 0 0 310.766 3.589 50 5 DHBARN O=c1[nH]n(C2CCCC2)c2nc3c(cc12)oc1cc(O)ccc13 ZINC000095474028 185372814 /nfs/dbraw/zinc/37/28/14/185372814.db2.gz KBQCTWIPEOAUEJ-UHFFFAOYSA-N 0 0 309.325 3.857 50 5 DHBARN COc1cc(N[C@H](C)c2c(C)noc2C)c(F)cc1[N+](=O)[O-] ZINC000097032679 185399342 /nfs/dbraw/zinc/39/93/42/185399342.db2.gz GOGURYFNQXPHEP-SSDOTTSWSA-N 0 0 309.297 3.520 50 5 DHBARN CCN(C(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1F ZINC000225656998 186287121 /nfs/dbraw/zinc/28/71/21/186287121.db2.gz SAPLKFANGVGVHL-UHFFFAOYSA-N 0 0 312.684 3.647 50 5 DHBARN O=c1ccn(-c2ccc(F)cc2)c2cc(Cl)c([N+](=O)[O-])cc12 ZINC000072434022 191164911 /nfs/dbraw/zinc/16/49/11/191164911.db2.gz ZMTFQOHHDSUQJU-UHFFFAOYSA-N 0 0 318.691 3.691 50 5 DHBARN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000000304995 180753649 /nfs/dbraw/zinc/75/36/49/180753649.db2.gz YJUMQVFYBYPVDP-JTQLQIEISA-N 0 0 304.733 3.739 50 5 DHBARN O=C(NCCC1=CCCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000000441468 180792103 /nfs/dbraw/zinc/79/21/03/180792103.db2.gz QKDIKBRVBFZHBP-UHFFFAOYSA-N 0 0 308.765 3.869 50 5 DHBARN COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1[N+](=O)[O-] ZINC000000461821 180798325 /nfs/dbraw/zinc/79/83/25/180798325.db2.gz TTXLQILOQDHFPQ-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN Cc1ccc(C)c(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000000580725 180825770 /nfs/dbraw/zinc/82/57/70/180825770.db2.gz RYCFMVPDZIFTKT-UHFFFAOYSA-N 0 0 314.341 3.538 50 5 DHBARN COc1cnc(-c2ccccc2)nc1Oc1cccc([N+](=O)[O-])c1 ZINC000001383993 180858132 /nfs/dbraw/zinc/85/81/32/180858132.db2.gz NWQLARYQKCVEID-UHFFFAOYSA-N 0 0 323.308 3.853 50 5 DHBARN O=[N+]([O-])c1ccc(OC/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000002854300 180963992 /nfs/dbraw/zinc/96/39/92/180963992.db2.gz FAPZOAUGPJYOSG-DUXPYHPUSA-N 0 0 300.270 3.595 50 5 DHBARN O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000002880107 180967045 /nfs/dbraw/zinc/96/70/45/180967045.db2.gz AGIQQOCFZJFULC-UHFFFAOYSA-N 0 0 309.680 3.744 50 5 DHBARN O=[N+]([O-])c1ccc(OCCOc2cccc3cccnc32)cc1 ZINC000002985673 180974167 /nfs/dbraw/zinc/97/41/67/180974167.db2.gz MSNUJSLLCFEPRN-UHFFFAOYSA-N 0 0 310.309 3.601 50 5 DHBARN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccco1 ZINC000003151578 180986379 /nfs/dbraw/zinc/98/63/79/180986379.db2.gz PZIRCTZFIUZKRY-UHFFFAOYSA-N 0 0 315.310 3.564 50 5 DHBARN Cc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c2ccccc2n1 ZINC000003296908 181001638 /nfs/dbraw/zinc/00/16/38/181001638.db2.gz HOOITMKKJDKMBH-UHFFFAOYSA-N 0 0 322.320 3.808 50 5 DHBARN Cc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000003524223 181029890 /nfs/dbraw/zinc/02/98/90/181029890.db2.gz WQQPKQGMBIRBPM-UHFFFAOYSA-N 0 0 322.267 3.757 50 5 DHBARN CC(C)c1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000003554565 181033976 /nfs/dbraw/zinc/03/39/76/181033976.db2.gz ZBRPZDKOJCAWKI-UHFFFAOYSA-N 0 0 312.369 3.691 50 5 DHBARN O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(Cl)cc1Cl ZINC000004069947 181068982 /nfs/dbraw/zinc/06/89/82/181068982.db2.gz BIWKBRGZFWTUPZ-UHFFFAOYSA-N 0 0 318.141 3.610 50 5 DHBARN O=[N+]([O-])c1ccc(CSc2ccc(-c3ccccn3)nn2)cc1 ZINC000004358224 181102032 /nfs/dbraw/zinc/10/20/32/181102032.db2.gz MECJRHWRDSEQHV-UHFFFAOYSA-N 0 0 324.365 3.739 50 5 DHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)Cc1ccc(Cl)cc1 ZINC000004426494 181109092 /nfs/dbraw/zinc/10/90/92/181109092.db2.gz ZDDIBMSBSJZQJZ-UHFFFAOYSA-N 0 0 304.733 3.738 50 5 DHBARN CC(C)(C)SCCNc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC000004557859 181124336 /nfs/dbraw/zinc/12/43/36/181124336.db2.gz UPGOFVKMPASMQY-UHFFFAOYSA-N 0 0 322.386 3.645 50 5 DHBARN O=[N+]([O-])c1cccc(N[S@](=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000004653959 181132646 /nfs/dbraw/zinc/13/26/46/181132646.db2.gz NIOORYSMSMLENJ-DMLRMIBCSA-N 0 0 320.414 3.639 50 5 DHBARN Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000004689115 181137155 /nfs/dbraw/zinc/13/71/55/181137155.db2.gz IIXRLFXSTGHNQE-UHFFFAOYSA-N 0 0 320.732 3.574 50 5 DHBARN O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])Oc1ccccc1F ZINC000004800781 181153430 /nfs/dbraw/zinc/15/34/30/181153430.db2.gz VJPGDLIGXPVSSG-UHFFFAOYSA-N 0 0 310.668 3.998 50 5 DHBARN Cc1ccc([N+](=O)[O-])c(OCCOc2cccc3cccnc32)c1 ZINC000004841498 181161232 /nfs/dbraw/zinc/16/12/32/181161232.db2.gz HJVSNSZECJXURP-UHFFFAOYSA-N 0 0 324.336 3.909 50 5 DHBARN O=C(/C=C/C1=Cc2ccccc2OC1)Nc1cccc([N+](=O)[O-])c1 ZINC000005034386 181194479 /nfs/dbraw/zinc/19/44/79/181194479.db2.gz LKVOPDYUCRSKNU-CMDGGOBGSA-N 0 0 322.320 3.566 50 5 DHBARN O=[N+]([O-])c1ccc(NC(=S)Nc2ccc3c(c2)CCC3)cc1 ZINC000005041594 181195640 /nfs/dbraw/zinc/19/56/40/181195640.db2.gz XGYLSNHYHQWQJP-UHFFFAOYSA-N 0 0 313.382 3.892 50 5 DHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSCc1ccccc1 ZINC000006477604 181343229 /nfs/dbraw/zinc/34/32/29/181343229.db2.gz HHWVVXMRIZJOHG-UHFFFAOYSA-N 0 0 316.382 3.775 50 5 DHBARN O=[N+]([O-])c1ccc(Nc2ccc3c(c2)OCCO3)c(Cl)c1 ZINC000006495571 181345996 /nfs/dbraw/zinc/34/59/96/181345996.db2.gz GJOXNIQOWKMGNH-UHFFFAOYSA-N 0 0 306.705 3.763 50 5 DHBARN CCc1ccccc1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000006508031 181347476 /nfs/dbraw/zinc/34/74/76/181347476.db2.gz MQTUVMMZILYQSQ-GFCCVEGCSA-N 0 0 313.357 3.596 50 5 DHBARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CCCCCCC1 ZINC000006786560 181388510 /nfs/dbraw/zinc/38/85/10/181388510.db2.gz PNZMJHCLHJDHJE-UHFFFAOYSA-N 0 0 319.405 3.504 50 5 DHBARN O=[N+]([O-])c1ccc(Oc2ncnc(C(F)(F)F)c2Cl)cc1 ZINC000261494732 203073140 /nfs/dbraw/zinc/07/31/40/203073140.db2.gz BFMNPIDVRWOQIQ-UHFFFAOYSA-N 0 0 319.626 3.849 50 5 DHBARN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000007078054 181437846 /nfs/dbraw/zinc/43/78/46/181437846.db2.gz HNXUBRYOLXNKLF-AWEZNQCLSA-N 0 0 304.371 3.783 50 5 DHBARN C[C@@H]1CCc2nc(CNc3cccc([N+](=O)[O-])c3)sc2C1 ZINC000095983154 193475736 /nfs/dbraw/zinc/47/57/36/193475736.db2.gz ARLYBIIAERYYCM-SNVBAGLBSA-N 0 0 303.387 3.788 50 5 DHBARN Cn1cnc([N+](=O)[O-])c1N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000008338342 181550423 /nfs/dbraw/zinc/55/04/23/181550423.db2.gz SRSIXNNDBCTJME-INIZCTEOSA-N 0 0 322.368 3.724 50 5 DHBARN Cc1cc(C)nc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000008548829 181563218 /nfs/dbraw/zinc/56/32/18/181563218.db2.gz IVXXUOJNYNRRBU-UHFFFAOYSA-N 0 0 305.721 3.512 50 5 DHBARN O=[N+]([O-])c1ccccc1OCc1cc2c(c(Cl)c1)OCO2 ZINC000012488839 181767179 /nfs/dbraw/zinc/76/71/79/181767179.db2.gz IKCDSWIGCTWDHY-UHFFFAOYSA-N 0 0 307.689 3.556 50 5 DHBARN CCc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cc1 ZINC000012859178 181804269 /nfs/dbraw/zinc/80/42/69/181804269.db2.gz DCNWMFKQRQPRCI-UHFFFAOYSA-N 0 0 306.268 3.688 50 5 DHBARN CC1(C)N=C(c2ccccc2)[C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)N21 ZINC000019898946 182161946 /nfs/dbraw/zinc/16/19/46/182161946.db2.gz ZURRJBURTJNBNL-LGJCEAAXSA-N 0 0 307.353 3.559 50 5 DHBARN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC1CCCCCC1 ZINC000024177118 182375506 /nfs/dbraw/zinc/37/55/06/182375506.db2.gz IZHWEDNTCHYCOI-UHFFFAOYSA-N 0 0 319.405 3.626 50 5 DHBARN CCCCC[C@@H](C)NC(=O)c1ccc(NCC)c([N+](=O)[O-])c1 ZINC000024005525 182372399 /nfs/dbraw/zinc/37/23/99/182372399.db2.gz UUSQKDXVSRYCRZ-GFCCVEGCSA-N 0 0 307.394 3.725 50 5 DHBARN Cc1cccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000032902470 182676426 /nfs/dbraw/zinc/67/64/26/182676426.db2.gz WNFDDYQURWRSDJ-UKRRQHHQSA-N 0 0 302.374 3.698 50 5 DHBARN C[C@H](CCc1ccccc1)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000033457538 182713542 /nfs/dbraw/zinc/71/35/42/182713542.db2.gz DUKYUTFWQHDVJZ-SEWDUPMJSA-N 0 0 324.380 3.746 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1cccc(F)c1 ZINC000040095717 183034325 /nfs/dbraw/zinc/03/43/25/183034325.db2.gz MROKDHOKNOITTG-UHFFFAOYSA-N 0 0 317.320 3.706 50 5 DHBARN Cc1ccccc1CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000040095697 183034357 /nfs/dbraw/zinc/03/43/57/183034357.db2.gz ZMJGBKSFIPHSSO-UHFFFAOYSA-N 0 0 313.357 3.576 50 5 DHBARN Cc1c(COc2cc(F)ccc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000040116341 183037131 /nfs/dbraw/zinc/03/71/31/183037131.db2.gz SCVCFWQOYOFXNW-UHFFFAOYSA-N 0 0 306.249 3.530 50 5 DHBARN O=C(Nc1ccc(Cl)c2cccnc12)c1ccc([N+](=O)[O-])o1 ZINC000040490159 183079980 /nfs/dbraw/zinc/07/99/80/183079980.db2.gz DDTRBVVWXJHURJ-UHFFFAOYSA-N 0 0 317.688 3.642 50 5 DHBARN O=[N+]([O-])c1ccc(NCC2(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000048234895 183630031 /nfs/dbraw/zinc/63/00/31/183630031.db2.gz WCKGLUDCNIOAAH-UHFFFAOYSA-N 0 0 313.313 3.647 50 5 DHBARN O=[N+]([O-])c1ccccc1Sc1nccn1Cc1ccccc1 ZINC000008310913 256523255 /nfs/dbraw/zinc/52/32/55/256523255.db2.gz ZAXZXIBBEKHDIK-UHFFFAOYSA-N 0 0 311.366 3.991 50 5 DHBARN O=[N+]([O-])c1ccc(C=Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000033908054 257211095 /nfs/dbraw/zinc/21/10/95/257211095.db2.gz STPWTFLJRZKJFV-BAQGIRSFSA-N 0 0 310.269 3.550 50 5 DHBARN CC(C)Cn1ncc(Nc2ccc([N+](=O)[O-])cn2)c1C(F)F ZINC000340570704 132018600 /nfs/dbraw/zinc/01/86/00/132018600.db2.gz OZICHQQMWOWJFD-UHFFFAOYSA-N 0 0 311.292 3.524 50 5 DHBARN C[C@H](C(=O)N1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000000471788 134438193 /nfs/dbraw/zinc/43/81/93/134438193.db2.gz QCPYRJZVUNOBAE-ZDUSSCGKSA-N 0 0 310.353 3.678 50 5 DHBARN O=[N+]([O-])c1ccccc1NCCNc1ccc2ccccc2n1 ZINC000038426858 331675714 /nfs/dbraw/zinc/67/57/14/331675714.db2.gz KMGUVNRCTJWBCK-UHFFFAOYSA-N 0 0 308.341 3.667 50 5 DHBARN CCc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])o2)C2CC2)cc1 ZINC000045400298 337420033 /nfs/dbraw/zinc/42/00/33/337420033.db2.gz GYJBNKSGDCWTHB-UHFFFAOYSA-N 0 0 314.341 3.555 50 5 DHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)cc1 ZINC000000437084 563613707 /nfs/dbraw/zinc/61/37/07/563613707.db2.gz NZURYDBPCBVNMW-UHFFFAOYSA-N 0 0 306.705 3.509 50 5 DHBARN Cc1c(C(=O)N2CCCc3cccc(F)c32)cccc1[N+](=O)[O-] ZINC000032906976 563410961 /nfs/dbraw/zinc/41/09/61/563410961.db2.gz VCEGWDAUWGXXAT-UHFFFAOYSA-N 0 0 314.316 3.635 50 5 DHBARN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2cccnc2)o1 ZINC000001205651 563448362 /nfs/dbraw/zinc/44/83/62/563448362.db2.gz ABLCUIKJYISMPM-UHFFFAOYSA-N 0 0 323.308 3.811 50 5 DHBARN O=C(Nc1cccc([N+](=O)[O-])c1)/C(Cl)=C\c1ccccc1 ZINC000000086934 563523986 /nfs/dbraw/zinc/52/39/86/563523986.db2.gz MHWUKFSDBOTDHF-NTEUORMPSA-N 0 0 302.717 3.813 50 5 DHBARN O=C1c2cccc3cccc(c32)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000000089885 563527779 /nfs/dbraw/zinc/52/77/79/563527779.db2.gz FDMDCRJQXLQHAL-UHFFFAOYSA-N 0 0 318.288 3.549 50 5 DHBARN O=[N+]([O-])c1nn(Cc2cccc(C(F)(F)F)c2)cc1Cl ZINC000012357832 563567783 /nfs/dbraw/zinc/56/77/83/563567783.db2.gz NDHVKWNEAYCBDM-UHFFFAOYSA-N 0 0 305.643 3.512 50 5 DHBARN CC1(C)O[C@H]2c3cc([N+](=O)[O-])ccc3OCN2c2ccccc21 ZINC000000108068 563570214 /nfs/dbraw/zinc/57/02/14/563570214.db2.gz DCSFIIWJFRXDHK-INIZCTEOSA-N 0 0 312.325 3.715 50 5 DHBARN Cc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2s1 ZINC000000174883 563574518 /nfs/dbraw/zinc/57/45/18/563574518.db2.gz DVJDZLANQYACDV-UHFFFAOYSA-N 0 0 313.338 3.765 50 5 DHBARN O=C(Nc1ccc(F)cc1F)c1cc([N+](=O)[O-])ccc1Cl ZINC000000265773 563583417 /nfs/dbraw/zinc/58/34/17/563583417.db2.gz GCBGTZSAHMPGPA-UHFFFAOYSA-N 0 0 312.659 3.779 50 5 DHBARN COc1ccc(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000000300516 563586902 /nfs/dbraw/zinc/58/69/02/563586902.db2.gz FMUDWKYKAQDDBB-UHFFFAOYSA-N 0 0 320.732 3.818 50 5 DHBARN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000000337790 563589012 /nfs/dbraw/zinc/58/90/12/563589012.db2.gz LEDQYPNYEQFFRC-CQSZACIVSA-N 0 0 314.341 3.736 50 5 DHBARN O=C1CS[C@@H](c2ccccc2[N+](=O)[O-])N1c1ccc(F)cc1 ZINC000000423806 563612052 /nfs/dbraw/zinc/61/20/52/563612052.db2.gz ZIYPDWXAZMOCCU-HNNXBMFYSA-N 0 0 318.329 3.513 50 5 DHBARN O=[N+]([O-])c1cccc(-c2nc(Cc3ccc(Cl)cc3)no2)c1 ZINC000000455280 563615847 /nfs/dbraw/zinc/61/58/47/563615847.db2.gz RWMMWUXYOQLXFO-UHFFFAOYSA-N 0 0 315.716 3.889 50 5 DHBARN O=C(NCc1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000034397471 563623766 /nfs/dbraw/zinc/62/37/66/563623766.db2.gz PTBYBZAVHBCVDL-UHFFFAOYSA-N 0 0 305.721 3.570 50 5 DHBARN C[C@@H](C(=O)NCc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000000471194 563624190 /nfs/dbraw/zinc/62/41/90/563624190.db2.gz OSYQPVDUWMHJSU-LLVKDONJSA-N 0 0 318.760 3.668 50 5 DHBARN O=C(/C=C/c1cccs1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000000474321 563624332 /nfs/dbraw/zinc/62/43/32/563624332.db2.gz DNNIFIMIMBTVBS-GQCTYLIASA-N 0 0 308.746 3.962 50 5 DHBARN CCOc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000471740 563624379 /nfs/dbraw/zinc/62/43/79/563624379.db2.gz JSRFXFPBFMHRFA-GFCCVEGCSA-N 0 0 314.341 3.736 50 5 DHBARN O=C(O[C@H]1C=C[C@@H]2CC[C@H]3CC[C@@H]1[C@H]23)c1ccc([N+](=O)[O-])cc1 ZINC000101138875 563654052 /nfs/dbraw/zinc/65/40/52/563654052.db2.gz JRZRZDAXZSLBIC-NXAPBCJLSA-N 0 0 313.353 3.742 50 5 DHBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1c1ccc[nH]1 ZINC000048342986 563697162 /nfs/dbraw/zinc/69/71/62/563697162.db2.gz UPJPBQLHZALEPD-CQSZACIVSA-N 0 0 319.748 3.554 50 5 DHBARN O=C(OCc1c(F)cccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000000616052 563698727 /nfs/dbraw/zinc/69/87/27/563698727.db2.gz FJSLSQMOVCGFBZ-UHFFFAOYSA-N 0 0 309.680 3.744 50 5 DHBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1O ZINC000000615883 563698859 /nfs/dbraw/zinc/69/88/59/563698859.db2.gz CPIKPLOLVMTKGG-UHFFFAOYSA-N 0 0 308.293 3.706 50 5 DHBARN CC(=O)c1cccc(NC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000000612063 563698923 /nfs/dbraw/zinc/69/89/23/563698923.db2.gz VCHPPHMZKCYEPB-UHFFFAOYSA-N 0 0 313.313 3.750 50 5 DHBARN Cc1ccc(SCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000000620158 563703206 /nfs/dbraw/zinc/70/32/06/563703206.db2.gz NTEXZQIZUNODQW-UHFFFAOYSA-N 0 0 316.382 3.942 50 5 DHBARN O=C(CCCc1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000000859630 563772220 /nfs/dbraw/zinc/77/22/20/563772220.db2.gz HLPJSOUJQCIANM-UHFFFAOYSA-N 0 0 302.305 3.695 50 5 DHBARN Cc1cc(C(=O)N[C@@H](C)CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000000859657 563772252 /nfs/dbraw/zinc/77/22/52/563772252.db2.gz UYQVQUBXEJVYBS-AWEZNQCLSA-N 0 0 312.369 3.654 50 5 DHBARN CC(C)(C)c1ccc(C(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000012779811 563829701 /nfs/dbraw/zinc/82/97/01/563829701.db2.gz YOLOBGZQPHSGJL-UHFFFAOYSA-N 0 0 305.359 3.601 50 5 DHBARN CC(C)=C[C@@H]1[C@H](C(=O)OCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000084671192 563829740 /nfs/dbraw/zinc/82/97/40/563829740.db2.gz OPZSANIOIAAUSP-UKRRQHHQSA-N 0 0 303.358 3.876 50 5 DHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(Cl)cc1 ZINC000001753386 563877853 /nfs/dbraw/zinc/87/78/53/563877853.db2.gz WPTTXFOORZFJKJ-UHFFFAOYSA-N 0 0 319.748 3.878 50 5 DHBARN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1cccc(Br)c1 ZINC000026709863 563879100 /nfs/dbraw/zinc/87/91/00/563879100.db2.gz QTBMVAMQLGSXAC-SECBINFHSA-N 0 0 322.162 3.925 50 5 DHBARN COc1cccc(=O)c2c(C)n(-c3cccc([N+](=O)[O-])c3)c(C)c21 ZINC000000488066 563887353 /nfs/dbraw/zinc/88/73/53/563887353.db2.gz QSTBYOVTDDNRQS-UHFFFAOYSA-N 0 0 324.336 3.524 50 5 biogenic DHBARN Cc1ccc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)on2)cc1 ZINC000036393095 563898288 /nfs/dbraw/zinc/89/82/88/563898288.db2.gz ZQYKDRXAASGPAP-UHFFFAOYSA-N 0 0 323.308 3.811 50 5 DHBARN CC(C)[C@H](C)NC(=O)CS[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000007133385 563903668 /nfs/dbraw/zinc/90/36/68/563903668.db2.gz NMCGBVSXZNXJRB-NWDGAFQWSA-N 0 0 310.419 3.550 50 5 DHBARN C[C@@H](Nc1cccc(C[S@@](C)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000195552429 563919584 /nfs/dbraw/zinc/91/95/84/563919584.db2.gz CHCOBUZISMTMTJ-VERVWZFWSA-N 0 0 318.398 3.646 50 5 DHBARN C[C@@H](Nc1cccc(C[S@](C)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000195552440 563919619 /nfs/dbraw/zinc/91/96/19/563919619.db2.gz XACGHUIHJNRKAY-IPQOISQHSA-N 0 0 318.398 3.646 50 5 DHBARN COCC[C@H](Nc1ccc(C(C)=O)cc1[N+](=O)[O-])c1ccco1 ZINC000096002046 563934693 /nfs/dbraw/zinc/93/46/93/563934693.db2.gz XJRHNUYNNSKLLZ-AWEZNQCLSA-N 0 0 318.329 3.580 50 5 DHBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccccc1Cl ZINC000002615898 563939304 /nfs/dbraw/zinc/93/93/04/563939304.db2.gz ZVQBAXNXKRRQJW-JXMROGBWSA-N 0 0 316.744 3.578 50 5 DHBARN Cc1ccc(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000002838519 563940911 /nfs/dbraw/zinc/94/09/11/563940911.db2.gz JDIITXWKMHWZDR-UHFFFAOYSA-N 0 0 316.382 3.942 50 5 DHBARN Cc1c(NC(=O)CSCc2ccccc2)cccc1[N+](=O)[O-] ZINC000002833711 563940973 /nfs/dbraw/zinc/94/09/73/563940973.db2.gz BJHYHMGLBMRCEZ-UHFFFAOYSA-N 0 0 316.382 3.775 50 5 DHBARN CCOc1cccc(OCCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000002991345 563941639 /nfs/dbraw/zinc/94/16/39/563941639.db2.gz PAZIZTSIYRBOQO-UHFFFAOYSA-N 0 0 317.341 3.841 50 5 DHBARN Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2cccnc12 ZINC000031092672 563944288 /nfs/dbraw/zinc/94/42/88/563944288.db2.gz XFPOVOXRYHZZGZ-UHFFFAOYSA-N 0 0 321.336 3.633 50 5 DHBARN Cc1noc(-c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000008587103 563949235 /nfs/dbraw/zinc/94/92/35/563949235.db2.gz QSKQBAVDQURIJG-UHFFFAOYSA-N 0 0 310.313 3.565 50 5 DHBARN Cc1ccc(Sc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000009217494 563954166 /nfs/dbraw/zinc/95/41/66/563954166.db2.gz FEJIOYAXTTZUKC-UHFFFAOYSA-N 0 0 303.339 3.826 50 5 DHBARN COc1ccccc1NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000009316204 563954957 /nfs/dbraw/zinc/95/49/57/563954957.db2.gz IAQOCZGMBYTBAT-UHFFFAOYSA-N 0 0 318.354 3.578 50 5 DHBARN O=C(c1ccc([N+](=O)[O-])s1)N1CC=C(c2ccccc2)CC1 ZINC000009313942 563954968 /nfs/dbraw/zinc/95/49/68/563954968.db2.gz QAPRONSVAPAHOF-UHFFFAOYSA-N 0 0 314.366 3.586 50 5 DHBARN CC(C)Nc1c2ccccc2n(-c2ccccc2)c(=O)c1[N+](=O)[O-] ZINC000009328419 563955100 /nfs/dbraw/zinc/95/51/00/563955100.db2.gz KLKYBIIGQIJNQM-UHFFFAOYSA-N 0 0 323.352 3.719 50 5 DHBARN Cc1c(C(=O)NCC2(c3ccccc3)CCC2)cccc1[N+](=O)[O-] ZINC000010221359 563958418 /nfs/dbraw/zinc/95/84/18/563958418.db2.gz AKKYBQGYBODBGI-UHFFFAOYSA-N 0 0 324.380 3.755 50 5 DHBARN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009426455 568421958 /nfs/dbraw/zinc/42/19/58/568421958.db2.gz GJKOUJZYXVUSGT-JTQLQIEISA-N 0 0 316.744 3.840 50 5 DHBARN