smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nc3ccccc3s2)c1C ZINC000610481829 931599545 /nfs/dbraw/zinc/59/95/45/931599545.db2.gz UWUISPPLRAEGGD-UHFFFAOYSA-N 0 2 363.420 3.622 20 5 FHBDLN CC[C@H](C(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000477040329 931724805 /nfs/dbraw/zinc/72/48/05/931724805.db2.gz OTZHYQOAELNYTK-OAHLLOKOSA-N 0 2 367.810 3.683 20 5 FHBDLN CC(C)(C)Oc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000157890038 932477024 /nfs/dbraw/zinc/47/70/24/932477024.db2.gz NSMGNAADEXOPAN-UHFFFAOYSA-N 0 2 350.396 3.573 20 5 FHBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)c1 ZINC000471975622 934273002 /nfs/dbraw/zinc/27/30/02/934273002.db2.gz BMLLWGHNAGMNOA-UHFFFAOYSA-N 0 2 374.777 3.511 20 5 FHBDLN C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000610827920 934502152 /nfs/dbraw/zinc/50/21/52/934502152.db2.gz DSYAIYMYNWYPGR-HNAYVOBHSA-N 0 2 350.422 3.963 20 5 FHBDLN Cc1cccc(OC(F)F)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000119986415 935409406 /nfs/dbraw/zinc/40/94/06/935409406.db2.gz IKZMRNHLYHUZTK-UHFFFAOYSA-N 0 2 372.349 3.614 20 5 FHBDLN CC[C@@H](C)Oc1ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000509581533 945136748 /nfs/dbraw/zinc/13/67/48/945136748.db2.gz CEKDFKKAWXVTSN-CYBMUJFWSA-N 0 2 364.423 3.881 20 5 FHBDLN O=C(COc1cccc([N+](=O)[O-])c1)Nc1cc(Cl)cc(Cl)c1O ZINC000536094486 938341761 /nfs/dbraw/zinc/34/17/61/938341761.db2.gz GQCABMCPGLHACL-UHFFFAOYSA-N 0 2 357.149 3.625 20 5 FHBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(c2cccc(F)c2F)CC1 ZINC000518230792 945225091 /nfs/dbraw/zinc/22/50/91/945225091.db2.gz LPSYPGCSVCWGMJ-UHFFFAOYSA-N 0 2 362.332 3.598 20 5 FHBDLN CCCc1nc(C)c(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)s1 ZINC000414387658 941082296 /nfs/dbraw/zinc/08/22/96/941082296.db2.gz YWFJNQHRWLSALU-UHFFFAOYSA-N 0 2 369.468 3.730 20 5 FHBDLN COc1c(Cl)cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1Cl ZINC000509992412 942904783 /nfs/dbraw/zinc/90/47/83/942904783.db2.gz MEJNERQJLUFAAV-UHFFFAOYSA-N 0 2 357.149 3.868 20 5 FHBDLN O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183917829 943103468 /nfs/dbraw/zinc/10/34/68/943103468.db2.gz UYPVNZUXOPSSMM-UHFFFAOYSA-N 0 2 371.324 3.666 20 5 FHBDLN CCc1oc2ccccc2c1CN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000505604767 943170972 /nfs/dbraw/zinc/17/09/72/943170972.db2.gz CIGNNWOGNVQNIR-UHFFFAOYSA-N 0 2 354.362 3.881 20 5 FHBDLN Cc1cc(OCC(=O)Nc2cc(Cl)c(O)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000435801034 943777573 /nfs/dbraw/zinc/77/75/73/943777573.db2.gz SDTUTFFHOPVZGS-UHFFFAOYSA-N 0 2 371.176 3.933 20 5 FHBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(-c2cccnc2)cc1 ZINC000436867072 944732277 /nfs/dbraw/zinc/73/22/77/944732277.db2.gz CIHCLVSLVXHERU-CYBMUJFWSA-N 0 2 363.373 3.853 20 5 FHBDLN Cc1cc2cccnc2c(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000507000570 944853613 /nfs/dbraw/zinc/85/36/13/944853613.db2.gz DNULZXNRDKJBRK-UHFFFAOYSA-N 0 2 371.418 3.869 20 5 FHBDLN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2O)cccc1OCC(F)(F)F ZINC000436979283 944867770 /nfs/dbraw/zinc/86/77/70/944867770.db2.gz LHPFHDKGKFAKSN-UHFFFAOYSA-N 0 2 370.283 3.802 20 5 FHBDLN COc1ccc(SCCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000444238574 946109725 /nfs/dbraw/zinc/10/97/25/946109725.db2.gz ACYMXNDUYGUFKY-UHFFFAOYSA-N 0 2 362.407 3.820 20 5 FHBDLN COCc1nc(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cs1 ZINC000602668275 568014296 /nfs/dbraw/zinc/01/42/96/568014296.db2.gz SZEXNWFCTQSAHM-UHFFFAOYSA-N 0 2 361.345 3.506 20 5 FHBDLN COc1ccccc1-c1csc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])n1 ZINC000481662067 568082235 /nfs/dbraw/zinc/08/22/35/568082235.db2.gz YNQXHRSBPXSKFS-UHFFFAOYSA-N 0 2 371.374 3.685 20 5 FHBDLN O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000482133931 568278396 /nfs/dbraw/zinc/27/83/96/568278396.db2.gz VALLNRANYPHRFA-INIZCTEOSA-N 0 2 356.353 3.805 20 5 FHBDLN CCc1ccc([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)cc1 ZINC000436684443 568280271 /nfs/dbraw/zinc/28/02/71/568280271.db2.gz AMHAZUMKCMGJHC-INIZCTEOSA-N 0 2 354.406 3.883 20 5 FHBDLN COc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)s2)cc1[N+](=O)[O-] ZINC000541999874 568380562 /nfs/dbraw/zinc/38/05/62/568380562.db2.gz BLBWRNYKDCXTGC-UHFFFAOYSA-N 0 2 370.452 3.763 20 5 FHBDLN COc1ccc(CN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@H](C)C2CC2)cc1 ZINC000569740410 568416699 /nfs/dbraw/zinc/41/66/99/568416699.db2.gz QKHVAKYFUKZHIJ-CYBMUJFWSA-N 0 2 370.405 3.750 20 5 FHBDLN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000436703950 568447017 /nfs/dbraw/zinc/44/70/17/568447017.db2.gz NKFLIUCVUXMKJE-LLVKDONJSA-N 0 2 369.381 3.577 20 5 FHBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H]1Cc1ccccc1Cl ZINC000157650219 928367301 /nfs/dbraw/zinc/36/73/01/928367301.db2.gz FNEFCCCMCZGJFO-ZDUSSCGKSA-N 0 2 360.797 3.801 20 5 FHBDLN CC[C@@H](C(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000477040328 931727703 /nfs/dbraw/zinc/72/77/03/931727703.db2.gz OTZHYQOAELNYTK-HNNXBMFYSA-N 0 2 367.810 3.683 20 5 FHBDLN CC(C)c1nn(C)c2sc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc12 ZINC000135340620 932976186 /nfs/dbraw/zinc/97/61/86/932976186.db2.gz ODTIBXDIVIFVHP-UHFFFAOYSA-N 0 2 360.395 3.624 20 5 FHBDLN CCOc1ccc2nc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])sc2c1 ZINC000327616613 934963286 /nfs/dbraw/zinc/96/32/86/934963286.db2.gz LXHMPXRZDPPXNU-UHFFFAOYSA-N 0 2 359.363 3.561 20 5 FHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(C)(F)F)c1 ZINC000188559922 940080993 /nfs/dbraw/zinc/08/09/93/940080993.db2.gz ADPLCIRUHBQDCB-UHFFFAOYSA-N 0 2 372.349 3.516 20 5 FHBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ncc(C(C)C)s2)c1C ZINC000174013185 940696092 /nfs/dbraw/zinc/69/60/92/940696092.db2.gz ZKTFSDCRXVZUAW-UHFFFAOYSA-N 0 2 355.441 3.592 20 5 FHBDLN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1ccccc1OC(F)F ZINC000180161411 940721517 /nfs/dbraw/zinc/72/15/17/940721517.db2.gz ZJDQMCCRMRREOK-UHFFFAOYSA-N 0 2 372.349 3.614 20 5 FHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000180770631 941073867 /nfs/dbraw/zinc/07/38/67/941073867.db2.gz XARYPFOPJVFUEY-UHFFFAOYSA-N 0 2 359.725 3.861 20 5 FHBDLN O=C(Nc1cccc(OCc2ccccn2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000505329404 942486714 /nfs/dbraw/zinc/48/67/14/942486714.db2.gz CMBNRYCNZRBTQB-UHFFFAOYSA-N 0 2 365.345 3.527 20 5 FHBDLN C[C@]1(c2ccccc2)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436851465 944720712 /nfs/dbraw/zinc/72/07/12/944720712.db2.gz LJFPIBSEYPMBDU-FQEVSTJZSA-N 0 2 354.406 3.884 20 5 FHBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000436871051 944736316 /nfs/dbraw/zinc/73/63/16/944736316.db2.gz RVWIZMVNSYZXFL-GOSISDBHSA-N 0 2 352.390 3.983 20 5 FHBDLN O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1O ZINC000436872282 944737460 /nfs/dbraw/zinc/73/74/60/944737460.db2.gz VVISXXDMEWDAQP-AWEZNQCLSA-N 0 2 372.377 3.501 20 5 FHBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nc(-c2ccccc2)cs1 ZINC000436872295 944737702 /nfs/dbraw/zinc/73/77/02/944737702.db2.gz LZNWGQVMIUBJNF-LLVKDONJSA-N 0 2 369.402 3.915 20 5 FHBDLN Cc1cc(C)cc(C2=CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)c1 ZINC000436895040 944747712 /nfs/dbraw/zinc/74/77/12/944747712.db2.gz HNUBZDKTUHTXLG-UHFFFAOYSA-N 0 2 352.390 3.847 20 5 FHBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCC[C@@H]1CCc1ccccc1 ZINC000436898120 944787009 /nfs/dbraw/zinc/78/70/09/944787009.db2.gz FBMMJJAWUCDLSE-MRXNPFEDSA-N 0 2 354.406 3.928 20 5 FHBDLN O=C([O-])[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(F)c1 ZINC000426809943 944831336 /nfs/dbraw/zinc/83/13/36/944831336.db2.gz GWKYZHFPKKSJJU-GOSISDBHSA-N 0 2 370.336 3.909 20 5 FHBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCc2c(Cl)c(Cl)ccc2C1 ZINC000436962232 944838328 /nfs/dbraw/zinc/83/83/28/944838328.db2.gz DOWSUDSAJIYPDR-UHFFFAOYSA-N 0 2 367.188 3.806 20 5 FHBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000436961515 944839011 /nfs/dbraw/zinc/83/90/11/944839011.db2.gz MIRANLCFEHNHDK-UHFFFAOYSA-N 0 2 356.353 3.759 20 5 FHBDLN O=C(NCC[C@H](c1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000436954220 944849227 /nfs/dbraw/zinc/84/92/27/944849227.db2.gz FHPXYMFNMZLSNE-CQSZACIVSA-N 0 2 368.311 3.766 20 5 FHBDLN Cc1c(Br)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436977961 944867789 /nfs/dbraw/zinc/86/77/89/944867789.db2.gz GZGFQJGSKHXSSH-UHFFFAOYSA-N 0 2 351.156 3.624 20 5 FHBDLN Cc1cc2cccnc2c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000507002041 944870060 /nfs/dbraw/zinc/87/00/60/944870060.db2.gz OGGFVCBAQAAGIB-UHFFFAOYSA-N 0 2 357.391 3.561 20 5 FHBDLN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[C@H]1c1ccccc1 ZINC000436982694 944875274 /nfs/dbraw/zinc/87/52/74/944875274.db2.gz UPOGKIJQUSNOOU-RHSMWYFYSA-N 0 2 354.406 3.956 20 5 FHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(OCc2ccccn2)cc1 ZINC000124966867 945408439 /nfs/dbraw/zinc/40/84/39/945408439.db2.gz BKVCYCHNOKBJPW-UHFFFAOYSA-N 0 2 365.345 3.527 20 5 FHBDLN Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)s1 ZINC000186025139 946351174 /nfs/dbraw/zinc/35/11/74/946351174.db2.gz HVISDVZGKHUGEI-UHFFFAOYSA-N 0 2 355.375 3.985 20 5 FHBDLN O=C(c1cc(F)cc(Cl)c1O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000129549440 948000934 /nfs/dbraw/zinc/00/09/34/948000934.db2.gz DEYLOAIDOTTXIA-UHFFFAOYSA-N 0 2 364.760 3.898 20 5 FHBDLN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)cc1 ZINC000008117034 204317767 /nfs/dbraw/zinc/31/77/67/204317767.db2.gz JAEVGCBOZYDXNM-UHFFFAOYSA-N 0 2 357.757 3.594 20 5 FHBDLN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1nc(-c2ccccc2)cs1 ZINC000436665054 568260770 /nfs/dbraw/zinc/26/07/70/568260770.db2.gz MVTMOOOSLRWXCB-NSHDSACASA-N 0 2 369.402 3.915 20 5 FHBDLN CCc1ccc([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3O)C2)cc1 ZINC000436684802 568279984 /nfs/dbraw/zinc/27/99/84/568279984.db2.gz HABLGTQHPJGOMF-INIZCTEOSA-N 0 2 354.406 3.883 20 5 FHBDLN Cc1ccc2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2n1 ZINC000013818052 930898985 /nfs/dbraw/zinc/89/89/85/930898985.db2.gz GANMCBAUYLIAOL-UHFFFAOYSA-N 0 2 357.391 3.561 20 5 FHBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ncc(C(C)(C)C)s2)c1[N+](=O)[O-] ZINC000479601400 935868273 /nfs/dbraw/zinc/86/82/73/935868273.db2.gz NMLSWYRRDBLKKD-UHFFFAOYSA-N 0 2 369.468 3.766 20 5 FHBDLN CCCCn1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C(C)C ZINC000480229226 938499852 /nfs/dbraw/zinc/49/98/52/938499852.db2.gz PEWZPALMGWAWBT-UHFFFAOYSA-N 0 2 366.443 3.516 20 5 FHBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C)cc1Br ZINC000536198171 938555831 /nfs/dbraw/zinc/55/58/31/938555831.db2.gz OWJLYGLQHSDSSS-UHFFFAOYSA-N 0 2 365.183 3.932 20 5 FHBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(Br)s1 ZINC000144314402 938951199 /nfs/dbraw/zinc/95/11/99/938951199.db2.gz UBKLVDSMEYZYLQ-UHFFFAOYSA-N 0 2 357.185 3.685 20 5 FHBDLN C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000507466345 945253507 /nfs/dbraw/zinc/25/35/07/945253507.db2.gz IAHBNNBUQGJISM-ZDUSSCGKSA-N 0 2 372.421 3.795 20 5 FHBDLN CC(C)c1c(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000376077572 940281297 /nfs/dbraw/zinc/28/12/97/940281297.db2.gz SBSWXGHHHVCQCC-UHFFFAOYSA-N 0 2 366.377 3.862 20 5 FHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(Cl)ccc1Br ZINC000180768639 941358034 /nfs/dbraw/zinc/35/80/34/941358034.db2.gz GENKDJUEBPEKFM-UHFFFAOYSA-N 0 2 371.574 3.969 20 5 FHBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc3cccnc32)c1C ZINC000015246199 942076646 /nfs/dbraw/zinc/07/66/46/942076646.db2.gz DVGUHFCZXYTPPO-UHFFFAOYSA-N 0 2 357.391 3.561 20 5 FHBDLN CSc1cccc(C(=O)Nc2nc(-c3ccc(C)cc3)n[nH]2)c1[N+](=O)[O-] ZINC000188032879 942314985 /nfs/dbraw/zinc/31/49/85/942314985.db2.gz FACWVSVHUCYTLY-UHFFFAOYSA-N 0 2 369.406 3.663 20 5 FHBDLN O=C(Nc1ccc(Oc2ccncc2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436870625 944737658 /nfs/dbraw/zinc/73/76/58/944737658.db2.gz QOJVTZFVQIMEEP-UHFFFAOYSA-N 0 2 351.318 3.740 20 5 FHBDLN O=C(NC(c1cccs1)c1cccs1)c1ccc([N+](=O)[O-])cc1O ZINC000436871360 944738825 /nfs/dbraw/zinc/73/88/25/944738825.db2.gz KGCMEMVZJQLJQH-UHFFFAOYSA-N 0 2 360.416 3.943 20 5 FHBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(=Cc2ccccc2F)CC1 ZINC000436888832 944764055 /nfs/dbraw/zinc/76/40/55/944764055.db2.gz 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CCc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1Cl ZINC000507620157 945382735 /nfs/dbraw/zinc/38/27/35/945382735.db2.gz YBCXGSGREYAJDX-UHFFFAOYSA-N 0 2 370.814 3.620 20 5 FHBDLN C[C@H](Oc1cccc2ccccc21)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000444332966 946774430 /nfs/dbraw/zinc/77/44/30/946774430.db2.gz VTVOSIMHNOVLDR-LBPRGKRZSA-N 0 2 352.346 3.860 20 5 FHBDLN CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000093930600 947538228 /nfs/dbraw/zinc/53/82/28/947538228.db2.gz BPELLCPHERUPSA-UHFFFAOYSA-N 0 2 368.798 3.560 20 5 FHBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3ccccc3n2)c1C ZINC000523897704 947716493 /nfs/dbraw/zinc/71/64/93/947716493.db2.gz WTUJBBLFQRFRLJ-UHFFFAOYSA-N 0 2 357.391 3.561 20 5 FHBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000613935101 948241932 /nfs/dbraw/zinc/24/19/32/948241932.db2.gz MVEDMXFLOALNIL-UHFFFAOYSA-N 0 2 362.332 3.598 20 5 FHBDLN O=C(CCCCC(=O)c1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000427629000 948683810 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20 5 FHBDLN O=C(Nc1cccc(Oc2ccccn2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000499861492 928620026 /nfs/dbraw/zinc/62/00/26/928620026.db2.gz KIZMHFQKJDTSBI-UHFFFAOYSA-N 0 2 351.318 3.740 20 5 FHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(Oc2ccccc2)ccn1 ZINC000538870743 934934044 /nfs/dbraw/zinc/93/40/44/934934044.db2.gz XDUMJGFRULUDGS-UHFFFAOYSA-N 0 2 351.318 3.740 20 5 FHBDLN CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 ZINC000071967303 935126590 /nfs/dbraw/zinc/12/65/90/935126590.db2.gz FNOUNLLWJVMIKK-INIZCTEOSA-N 0 2 361.785 3.930 20 5 FHBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2cccc(C3CC3)n2)cc1[N+](=O)[O-] ZINC000451035439 935287766 /nfs/dbraw/zinc/28/77/66/935287766.db2.gz BOKRAWFIHOMUNE-UHFFFAOYSA-N 0 2 367.814 3.630 20 5 FHBDLN CCCc1nc2ccccc2n1CCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000539972436 935331833 /nfs/dbraw/zinc/33/18/33/935331833.db2.gz MXJFJICLKSIIRI-UHFFFAOYSA-N 0 2 368.393 3.631 20 5 FHBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1Br ZINC000221014044 935818954 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C[C@H](Cc1cncc2ccccc21)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000504232559 943548961 /nfs/dbraw/zinc/54/89/61/943548961.db2.gz KTUDUFHGJBMGEF-GFCCVEGCSA-N 0 2 351.362 3.666 20 5 FHBDLN CC[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Oc1ccccc1Cl ZINC000500026488 943977165 /nfs/dbraw/zinc/97/71/65/943977165.db2.gz AVASWBSJKNMFIE-GFCCVEGCSA-N 0 2 364.785 3.541 20 5 FHBDLN O=C(NCCc1cccc(Cl)c1Cl)c1cc(O)ccc1[N+](=O)[O-] ZINC000506207051 944511757 /nfs/dbraw/zinc/51/17/57/944511757.db2.gz WRSQYHFEIPIHBM-UHFFFAOYSA-N 0 2 355.177 3.580 20 5 FHBDLN Cc1nc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc1C(=O)[O-] ZINC000426699748 944700556 /nfs/dbraw/zinc/70/05/56/944700556.db2.gz LXQLPRRABIWRQH-UHFFFAOYSA-N 0 2 373.390 3.608 20 5 FHBDLN CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)C12CCCCC2 ZINC000436869115 944734510 /nfs/dbraw/zinc/73/45/10/944734510.db2.gz LLARQFMCRBFBPY-IAGOWNOFSA-N 0 2 362.426 3.500 20 5 FHBDLN O=C(Nc1cccc(Oc2ccncc2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436874807 944742257 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BAYBOUSDFCFITC-GFCCVEGCSA-N 0 2 352.346 3.860 20 5 FHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000536311306 947258258 /nfs/dbraw/zinc/25/82/58/947258258.db2.gz YONKJKMQWQYYEP-UHFFFAOYSA-N 0 2 358.741 3.596 20 5 FHBDLN Cc1cc(S(=O)(=O)Nc2ccccc2OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000523727768 947549619 /nfs/dbraw/zinc/54/96/19/947549619.db2.gz KZNNOWIHCUHXHG-UHFFFAOYSA-N 0 2 364.423 3.881 20 5 FHBDLN CN(Cc1ccc(Cl)cc1Cl)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000585821963 948522998 /nfs/dbraw/zinc/52/29/98/948522998.db2.gz RAKJQUGEFYQIJK-UHFFFAOYSA-N 0 2 355.177 3.879 20 5 FHBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000059768422 205281894 /nfs/dbraw/zinc/28/18/94/205281894.db2.gz GVBXKRDYDGDTOF-UHFFFAOYSA-N 0 2 360.313 3.723 20 5 FHBDLN CCC[C@H](C)c1cc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)[nH]n1 ZINC000541784968 567833137 /nfs/dbraw/zinc/83/31/37/567833137.db2.gz OOIGFGNMUUJSNK-NSHDSACASA-N 0 2 366.443 3.639 20 5 FHBDLN O=C(NC(c1cccs1)c1cccs1)c1cc([N+](=O)[O-])ccc1O ZINC000436672085 568260652 /nfs/dbraw/zinc/26/06/52/568260652.db2.gz XZEMXKJKYFAPMF-UHFFFAOYSA-N 0 2 360.416 3.943 20 5 FHBDLN Cc1cc(N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897003 602320603 /nfs/dbraw/zinc/32/06/03/602320603.db2.gz JVOAQSNPMJRICU-ZDUSSCGKSA-N 0 2 366.377 3.960 20 5 FHBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ncc(C(C)C)s1 ZINC000178420339 934031610 /nfs/dbraw/zinc/03/16/10/934031610.db2.gz AAAJJLUNLWVTKX-UHFFFAOYSA-N 0 2 355.441 3.592 20 5 FHBDLN C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000610827919 934501951 /nfs/dbraw/zinc/50/19/51/934501951.db2.gz DSYAIYMYNWYPGR-DNVCBOLYSA-N 0 2 350.422 3.963 20 5 FHBDLN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nn1-c1cccc(Cl)c1 ZINC000166091440 935270794 /nfs/dbraw/zinc/27/07/94/935270794.db2.gz IULNECRRJKAEAQ-UHFFFAOYSA-N 0 2 372.768 3.700 20 5 FHBDLN O=C(CCC(=O)c1ccc2c(c1)CCCC2)Nc1cc([N+](=O)[O-])ccc1O ZINC000096764654 938936527 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O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCc2c([nH]c3c2cccc3F)C1 ZINC000436780570 944611992 /nfs/dbraw/zinc/61/19/92/944611992.db2.gz DXZFVXZLJMEBNZ-UHFFFAOYSA-N 0 2 369.352 3.509 20 5 FHBDLN Cc1ccc(OC2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)cc1C ZINC000506616966 944771275 /nfs/dbraw/zinc/77/12/75/944771275.db2.gz GPJAVEJYCQZCPG-UHFFFAOYSA-N 0 2 370.405 3.601 20 5 FHBDLN O=C(N[C@@H](CC(F)(F)F)c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000436961870 944838997 /nfs/dbraw/zinc/83/89/97/944838997.db2.gz VLAULWYZOMFQMR-ZDUSSCGKSA-N 0 2 354.284 3.724 20 5 FHBDLN Cc1ccc(F)cc1-c1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2O)s1 ZINC000436990977 944884602 /nfs/dbraw/zinc/88/46/02/944884602.db2.gz RVAWFWZIBULWSZ-UHFFFAOYSA-N 0 2 374.353 3.519 20 5 FHBDLN CC[C@@H](C)Oc1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000511685317 944917105 /nfs/dbraw/zinc/91/71/05/944917105.db2.gz BGEMDMQUEMJHJP-CYBMUJFWSA-N 0 2 364.423 3.881 20 5 FHBDLN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cc(O)ccc1[N+](=O)[O-] ZINC000507669096 945421268 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FHBDLN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000536312057 947253344 /nfs/dbraw/zinc/25/33/44/947253344.db2.gz HKSFXGZIVFXQOV-UHFFFAOYSA-N 0 2 350.758 3.750 20 5 FHBDLN COc1cccc(CN(CC(C)C)C(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000613914729 948055571 /nfs/dbraw/zinc/05/55/71/948055571.db2.gz RJYKOEROORNNML-UHFFFAOYSA-N 0 2 358.394 3.607 20 5 FHBDLN COc1ccccc1[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000613938162 948250519 /nfs/dbraw/zinc/25/05/19/948250519.db2.gz OPJWQVKWIYDNAD-MRXNPFEDSA-N 0 2 356.378 3.676 20 5 FHBDLN O=C(Nc1ccc(Cl)cc1OCC(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000436736933 948640561 /nfs/dbraw/zinc/64/05/61/948640561.db2.gz ICQKSLPYUDRKTM-UHFFFAOYSA-N 0 2 372.711 3.850 20 5 FHBDLN Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cn2)cc1[N+](=O)[O-] ZINC000609473127 568216333 /nfs/dbraw/zinc/21/63/33/568216333.db2.gz LJVNLLRFHSOIEV-UHFFFAOYSA-N 0 2 369.402 3.766 20 5 FHBDLN CCCc1[nH]nc(C(=O)Nc2cc(Cl)cc(Cl)c2O)c1[N+](=O)[O-] ZINC000436669955 568264266 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COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000014256414 935076878 /nfs/dbraw/zinc/07/68/78/935076878.db2.gz IIGPRWNSYOPGAK-UHFFFAOYSA-N 0 2 364.423 3.702 20 5 FHBDLN Cc1cc(Br)ccc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000235736361 938991574 /nfs/dbraw/zinc/99/15/74/938991574.db2.gz UVSSXGFBLSERMG-UHFFFAOYSA-N 0 2 351.156 3.624 20 5 FHBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(C)ccc1Cl ZINC000179392695 939139725 /nfs/dbraw/zinc/13/97/25/939139725.db2.gz CPMCRQZPHIURNT-UHFFFAOYSA-N 0 2 370.814 3.504 20 5 FHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000161573012 940305886 /nfs/dbraw/zinc/30/58/86/940305886.db2.gz GPGACQPVVKLYOS-UHFFFAOYSA-N 0 2 364.276 3.554 20 5 FHBDLN Cc1c(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cccc1OCC(F)(F)F ZINC000511452238 940485669 /nfs/dbraw/zinc/48/56/69/940485669.db2.gz BAIBGHCNQLQXKO-UHFFFAOYSA-N 0 2 370.283 3.802 20 5 FHBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(Br)cc1 ZINC000180767936 941073386 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Cc1cccc2sc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)nc21 ZINC000504100720 943499820 /nfs/dbraw/zinc/49/98/20/943499820.db2.gz ONEBJYRRALUAIG-UHFFFAOYSA-N 0 2 363.420 3.622 20 5 FHBDLN CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000504250931 943562433 /nfs/dbraw/zinc/56/24/33/943562433.db2.gz LXQMLPXCEDTGEI-UHFFFAOYSA-N 0 2 368.345 3.739 20 5 FHBDLN CN(Cc1cccc(Cl)c1Cl)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000505137778 944066610 /nfs/dbraw/zinc/06/66/10/944066610.db2.gz ULEYFXKTDRWHLS-UHFFFAOYSA-N 0 2 355.177 3.879 20 5 FHBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000515635400 944067570 /nfs/dbraw/zinc/06/75/70/944067570.db2.gz VDKZARBTEPYYDH-UHFFFAOYSA-N 0 2 372.349 3.614 20 5 FHBDLN Cc1ccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)n[nH]2)c(C)c1 ZINC000436811105 944667513 /nfs/dbraw/zinc/66/75/13/944667513.db2.gz ZKPWJAMPPVVFNL-UHFFFAOYSA-N 0 2 352.350 3.560 20 5 FHBDLN CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436862101 944726591 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FHBDLN CCCCc1nc2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2[nH]1 ZINC000506092911 944007763 /nfs/dbraw/zinc/00/77/63/944007763.db2.gz AKTQAHBBQIMXCP-UHFFFAOYSA-N 0 2 354.366 3.772 20 5 FHBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000436885291 944758094 /nfs/dbraw/zinc/75/80/94/944758094.db2.gz HISZJZFNBMOGPR-OAHLLOKOSA-N 0 2 367.361 3.809 20 5 FHBDLN CCCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H](C)c1ccccc1OC ZINC000436968124 944845209 /nfs/dbraw/zinc/84/52/09/944845209.db2.gz SKYGCMFOVPOZAL-CYBMUJFWSA-N 0 2 358.394 3.922 20 5 FHBDLN CCCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H](C)c1ccccc1OC ZINC000436968126 944845334 /nfs/dbraw/zinc/84/53/34/944845334.db2.gz SKYGCMFOVPOZAL-ZDUSSCGKSA-N 0 2 358.394 3.922 20 5 FHBDLN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c(C(F)(F)F)c1 ZINC000436980852 944871754 /nfs/dbraw/zinc/87/17/54/944871754.db2.gz AAODITFLCGEQPO-UHFFFAOYSA-N 0 2 356.256 3.580 20 5 FHBDLN C[C@@]1(CCc2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436986248 944897511 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Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnccc1-c1ccccc1 ZINC000432347812 948187423 /nfs/dbraw/zinc/18/74/23/948187423.db2.gz PGIPLODYNSPMKB-UHFFFAOYSA-N 0 2 369.402 3.766 20 5 FHBDLN O=C(Nc1ccccc1NCC(F)(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000184712839 948247433 /nfs/dbraw/zinc/24/74/33/948247433.db2.gz IHIVRDVLYCTQCP-UHFFFAOYSA-N 0 2 355.272 3.527 20 5 FHBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 ZINC000071974058 221391242 /nfs/dbraw/zinc/39/12/42/221391242.db2.gz OOCGJCBJEALLLV-UHFFFAOYSA-N 0 2 360.313 3.723 20 5 FHBDLN CCC[C@@H](C)c1cc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)[nH]n1 ZINC000541784967 567821581 /nfs/dbraw/zinc/82/15/81/567821581.db2.gz OOIGFGNMUUJSNK-LLVKDONJSA-N 0 2 366.443 3.639 20 5 FHBDLN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nn1-c1cc(C)cc(C)c1 ZINC000436618425 568059775 /nfs/dbraw/zinc/05/97/75/568059775.db2.gz LJGIEZMFAARXEA-UHFFFAOYSA-N 0 2 366.377 3.664 20 5 FHBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000436679016 568275859 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CCOc1cccc2cc([C@@H](C)NC(=O)c3cc(O)ccc3[N+](=O)[O-])oc21 ZINC000503687546 943342225 /nfs/dbraw/zinc/34/22/25/943342225.db2.gz GBDQDKFGILPHEK-LLVKDONJSA-N 0 2 370.361 3.936 20 5 FHBDLN O=C(NCC1(Cc2ccccc2)CCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000503834722 943379420 /nfs/dbraw/zinc/37/94/20/943379420.db2.gz WTKVUIDCNLLRLK-UHFFFAOYSA-N 0 2 354.406 3.833 20 5 FHBDLN Cc1cc(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)ccc1[N+](=O)[O-] ZINC000515243898 943592980 /nfs/dbraw/zinc/59/29/80/943592980.db2.gz LJRIFHFTKQLBAV-UHFFFAOYSA-N 0 2 357.757 3.594 20 5 FHBDLN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1cnc2ccsc2c1 ZINC000473764446 944378094 /nfs/dbraw/zinc/37/80/94/944378094.db2.gz LPHBRZZXYVUESI-UHFFFAOYSA-N 0 2 363.420 3.622 20 5 FHBDLN Cc1ccc(-c2cc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)n[nH]2)c(C)c1 ZINC000436728954 944575391 /nfs/dbraw/zinc/57/53/91/944575391.db2.gz DVMRATIONALKMC-UHFFFAOYSA-N 0 2 352.350 3.560 20 5 FHBDLN C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436851466 944720941 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371.374 3.588 20 5 FHBDLN O=C([O-])[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccs1 ZINC000426819189 944841878 /nfs/dbraw/zinc/84/18/78/944841878.db2.gz UWAQBHLROJXROY-INIZCTEOSA-N 0 2 358.375 3.832 20 5 FHBDLN COc1ccc(F)cc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000507009312 944858265 /nfs/dbraw/zinc/85/82/65/944858265.db2.gz YVQQMLLKCLSECB-UHFFFAOYSA-N 0 2 374.777 3.505 20 5 FHBDLN CC[C@H](c1nnc(NC(=O)c2ccc([N+](=O)[O-])o2)s1)c1ccccc1 ZINC000106719579 945372918 /nfs/dbraw/zinc/37/29/18/945372918.db2.gz DPTNUELZMSPLQL-NSHDSACASA-N 0 2 358.379 3.834 20 5 FHBDLN Cc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2C)c([N+](=O)[O-])c1 ZINC000523731111 947552020 /nfs/dbraw/zinc/55/20/20/947552020.db2.gz JFNIJUWPDWQBAD-UHFFFAOYSA-N 0 2 364.423 3.800 20 5 FHBDLN CCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000184777285 948428639 /nfs/dbraw/zinc/42/86/39/948428639.db2.gz KCTXYFSGNNDGMA-UHFFFAOYSA-N 0 2 357.391 3.506 20 5 FHBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(Br)cc1 ZINC000017961607 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3.599 20 5 FHBDLN Cc1ccc(S(=O)(=O)Nc2ccnn2[C@H](C)CC(C)C)cc1[N+](=O)[O-] ZINC000608927532 928908536 /nfs/dbraw/zinc/90/85/36/928908536.db2.gz AVYGKKBWVZZVST-CYBMUJFWSA-N 0 2 366.443 3.508 20 5 FHBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ncc(-c2ccccc2)s1 ZINC000119644569 934978065 /nfs/dbraw/zinc/97/80/65/934978065.db2.gz OMKWKUKEZYUTCN-UHFFFAOYSA-N 0 2 361.404 3.519 20 5 FHBDLN Cc1ccc(S(=O)(=O)Nc2nc3c(cccc3C)s2)c([N+](=O)[O-])c1 ZINC000066247698 940361808 /nfs/dbraw/zinc/36/18/08/940361808.db2.gz GKTVIKRMZMYYTR-UHFFFAOYSA-N 0 2 363.420 3.622 20 5 FHBDLN CCc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c2c(n1)onc2C(C)C ZINC000513643308 942061262 /nfs/dbraw/zinc/06/12/62/942061262.db2.gz OEJMXAATSBBACU-UHFFFAOYSA-N 0 2 370.365 3.775 20 5 FHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccnc(-c2ccc(Cl)cc2)n1 ZINC000504220030 943553234 /nfs/dbraw/zinc/55/32/34/943553234.db2.gz UVCVFMQMHQGRIU-UHFFFAOYSA-N 0 2 370.752 3.663 20 5 FHBDLN COc1cc(C)c(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1C ZINC000435731142 943572837 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3.551 20 5 FHBDLN Cc1cc(S(=O)(=O)Nc2cnccc2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000432349721 948189597 /nfs/dbraw/zinc/18/95/97/948189597.db2.gz ALTOTYJVKJAYIP-UHFFFAOYSA-N 0 2 369.402 3.766 20 5 FHBDLN Cc1ccc([C@H]2CSCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000184790519 948486409 /nfs/dbraw/zinc/48/64/09/948486409.db2.gz JCJGGFJDTXYQGH-MRXNPFEDSA-N 0 2 358.419 3.539 20 5 FHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(C)C)c1 ZINC000007709524 210093178 /nfs/dbraw/zinc/09/31/78/210093178.db2.gz PAXDJYRQHINUNW-UHFFFAOYSA-N 0 2 350.396 3.528 20 5 FHBDLN CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181897004 568137722 /nfs/dbraw/zinc/13/77/22/568137722.db2.gz NXUUISVXOLJTND-UHFFFAOYSA-N 0 2 354.284 3.591 20 5 FHBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000436673286 568260515 /nfs/dbraw/zinc/26/05/15/568260515.db2.gz DTSPMJQWHNHGOB-MUJYYYPQSA-N 0 2 352.390 3.851 20 5 FHBDLN O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436670646 568262812 /nfs/dbraw/zinc/26/28/12/568262812.db2.gz RLZWXDGYIRIGON-UHFFFAOYSA-N 0 2 351.318 3.740 20 5 FHBDLN CC(=O)c1ccc(O)c(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000436677464 568283855 /nfs/dbraw/zinc/28/38/55/568283855.db2.gz CNCZCADHEOISOH-UHFFFAOYSA-N 0 2 368.267 3.774 20 5 FHBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(CCc2ccccc2)CC1 ZINC000436674150 568284866 /nfs/dbraw/zinc/28/48/66/568284866.db2.gz NVJHQIPBDFUZDS-UHFFFAOYSA-N 0 2 354.406 3.785 20 5 FHBDLN CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000182054184 568718409 /nfs/dbraw/zinc/71/84/09/568718409.db2.gz FDVSNZYBLBGQKS-XUJLQICISA-N 0 2 362.426 3.500 20 5 FHBDLN COc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000023389948 927542354 /nfs/dbraw/zinc/54/23/54/927542354.db2.gz COEPBBFVXCCWKI-UHFFFAOYSA-N 0 2 358.375 3.557 20 5 FHBDLN Cc1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])ccc1OC(C)C ZINC000610194459 927901031 /nfs/dbraw/zinc/90/10/31/927901031.db2.gz HYNBLXHWOSKMNE-UHFFFAOYSA-N 0 2 364.423 3.800 20 5 FHBDLN CCC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000135392959 933445567 /nfs/dbraw/zinc/44/55/67/933445567.db2.gz BDTWZDQCUYAGRE-UHFFFAOYSA-N 0 2 368.798 3.642 20 5 FHBDLN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1Br ZINC000221011267 935819074 /nfs/dbraw/zinc/81/90/74/935819074.db2.gz SZCDDGIPXCCGJD-UHFFFAOYSA-N 0 2 351.156 3.624 20 5 FHBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C)cc(C)c1OC ZINC000573297888 938993832 /nfs/dbraw/zinc/99/38/32/938993832.db2.gz LMMZESVVQUFXQD-UHFFFAOYSA-N 0 2 364.423 3.583 20 5 FHBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc2ccccc21 ZINC000410403199 939915443 /nfs/dbraw/zinc/91/54/43/939915443.db2.gz CWMDDUZXIXDZMJ-UHFFFAOYSA-N 0 2 372.402 3.948 20 5 FHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3[nH]ccc32)c(Cl)c1 ZINC000171180409 939934202 /nfs/dbraw/zinc/93/42/02/939934202.db2.gz ZOJKKZLMDLMUPR-UHFFFAOYSA-N 0 2 351.771 3.530 20 5 FHBDLN C[C@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000421921253 942892392 /nfs/dbraw/zinc/89/23/92/942892392.db2.gz OLPHFWXYFAPBKU-LJQANCHMSA-N 0 2 358.369 3.677 20 5 FHBDLN CCc1ccc(S(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)s1 ZINC000430071327 943408872 /nfs/dbraw/zinc/40/88/72/943408872.db2.gz NGRKKHLFAKOOBN-UHFFFAOYSA-N 0 2 369.449 3.629 20 5 FHBDLN O=C(Nc1ccc(Br)c(Cl)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000232173603 943916944 /nfs/dbraw/zinc/91/69/44/943916944.db2.gz UBRXDGLNXPUOGR-UHFFFAOYSA-N 0 2 371.574 3.969 20 5 FHBDLN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000473764362 944377915 /nfs/dbraw/zinc/37/79/15/944377915.db2.gz MDEDAVRYCBRBFW-UHFFFAOYSA-N 0 2 358.778 3.805 20 5 FHBDLN CCc1nc2ccccc2c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1C ZINC000436521889 944390327 /nfs/dbraw/zinc/39/03/27/944390327.db2.gz PNJYJSXRMNTEOL-UHFFFAOYSA-N 0 2 351.362 3.972 20 5 FHBDLN Cc1ccc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436868268 944733629 /nfs/dbraw/zinc/73/36/29/944733629.db2.gz IBNUMMRBBUKFFT-UHFFFAOYSA-N 0 2 351.156 3.624 20 5 FHBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nn1-c1cccc(Cl)c1 ZINC000436876144 944743320 /nfs/dbraw/zinc/74/33/20/944743320.db2.gz ZXVMDPTXEGIVAT-UHFFFAOYSA-N 0 2 372.768 3.700 20 5 FHBDLN CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[C@H]1c1ccccc1 ZINC000436982696 944875156 /nfs/dbraw/zinc/87/51/56/944875156.db2.gz UPOGKIJQUSNOOU-WMLDXEAASA-N 0 2 354.406 3.956 20 5 FHBDLN COc1c(Cl)cccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000511683464 944915319 /nfs/dbraw/zinc/91/53/19/944915319.db2.gz SDGKNBYSKNWPLR-UHFFFAOYSA-N 0 2 370.814 3.674 20 5 FHBDLN CCCOc1ccc([C@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1OC ZINC000506354946 945006228 /nfs/dbraw/zinc/00/62/28/945006228.db2.gz DZAMDEVBKFVLDF-LBPRGKRZSA-N 0 2 374.393 3.589 20 5 FHBDLN O=C(Nc1cccc(COCc2ccco2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000507687215 945436997 /nfs/dbraw/zinc/43/69/97/945436997.db2.gz FMWHOPZDIKQLRN-UHFFFAOYSA-N 0 2 368.345 3.863 20 5 FHBDLN O=[N+]([O-])c1cccc(NS(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000020626905 945728293 /nfs/dbraw/zinc/72/82/93/945728293.db2.gz YINZGMZUNLNVOM-UHFFFAOYSA-N 0 2 353.208 3.764 20 5 FHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cnc(Cc2ccccc2F)s1 ZINC000186024543 946350162 /nfs/dbraw/zinc/35/01/62/946350162.db2.gz PNSJLBBHMFXTNV-UHFFFAOYSA-N 0 2 373.365 3.739 20 5 FHBDLN COc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H](C)C2CC2)cc1 ZINC000184509518 946920933 /nfs/dbraw/zinc/92/09/33/946920933.db2.gz BTYCDLRESINTFF-LBPRGKRZSA-N 0 2 356.378 3.754 20 5 FHBDLN O=C(CCc1cccc(Br)c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000216597415 946930049 /nfs/dbraw/zinc/93/00/49/946930049.db2.gz HHHUHTIHZBEXFD-UHFFFAOYSA-N 0 2 365.183 3.634 20 5 FHBDLN CC(C)(C)c1cccc2c1OCCN2C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000444506908 946967170 /nfs/dbraw/zinc/96/71/70/946967170.db2.gz ZQCUVFGLBQNJFZ-UHFFFAOYSA-N 0 2 356.378 3.637 20 5 FHBDLN Cc1cc(S(=O)(=O)Nc2ccccc2OCC(C)C)ccc1[N+](=O)[O-] ZINC000523729678 947549414 /nfs/dbraw/zinc/54/94/14/947549414.db2.gz GVHXQYHYSHUOLL-UHFFFAOYSA-N 0 2 364.423 3.739 20 5 FHBDLN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1c(O)cc(F)cc1F ZINC000094039898 947783039 /nfs/dbraw/zinc/78/30/39/947783039.db2.gz SBRYDLSGDFRFLX-UHFFFAOYSA-N 0 2 350.321 3.629 20 5 FHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)c2ncccc12 ZINC000184765275 948399458 /nfs/dbraw/zinc/39/94/58/948399458.db2.gz FUBKHXZPLGTPLA-UHFFFAOYSA-N 0 2 363.782 3.597 20 5 FHBDLN CCOc1cc(F)ccc1NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000481566869 568057888 /nfs/dbraw/zinc/05/78/88/568057888.db2.gz BPHZHCUSOLBVJY-UHFFFAOYSA-N 0 2 368.386 3.550 20 5 FHBDLN CC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C ZINC000134774350 929235053 /nfs/dbraw/zinc/23/50/53/929235053.db2.gz FQMUKAKIIYJLIU-UHFFFAOYSA-N 0 2 368.798 3.560 20 5 FHBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000579048256 929779885 /nfs/dbraw/zinc/77/98/85/929779885.db2.gz OCPNYIGKLQUYGG-UHFFFAOYSA-N 0 2 363.370 3.578 20 5 FHBDLN O=C(NCC1(Cc2cccc(Cl)c2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000458024186 930648459 /nfs/dbraw/zinc/64/84/59/930648459.db2.gz WXATXQNCUZDMSF-UHFFFAOYSA-N 0 2 360.797 3.707 20 5 FHBDLN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166132500 935971461 /nfs/dbraw/zinc/97/14/61/935971461.db2.gz RTQDWTCRXWWQQG-LLVKDONJSA-N 0 2 369.381 3.577 20 5 FHBDLN Cc1cc(Br)c(F)cc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000319040375 943705117 /nfs/dbraw/zinc/70/51/17/943705117.db2.gz HYAAOUVFTKPLGV-UHFFFAOYSA-N 0 2 369.146 3.763 20 5 FHBDLN CCCCOc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000517122470 944028763 /nfs/dbraw/zinc/02/87/63/944028763.db2.gz JARYQHNCJFGBDY-UHFFFAOYSA-N 0 2 364.423 3.883 20 5 FHBDLN COc1cc(-c2nc3ccc(Br)cc3[nH]2)cc([N+](=O)[O-])c1O ZINC000436734754 944564849 /nfs/dbraw/zinc/56/48/49/944564849.db2.gz CHSZFDNIEWYUHC-UHFFFAOYSA-N 0 2 364.155 3.615 20 5 FHBDLN O=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1ccc([N+](=O)[O-])cc1O ZINC000436819910 944688319 /nfs/dbraw/zinc/68/83/19/944688319.db2.gz ZTIVPNUCUVHRKR-UHFFFAOYSA-N 0 2 358.316 3.686 20 5 FHBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(-c2cccnc2)cc1 ZINC000436867254 944732091 /nfs/dbraw/zinc/73/20/91/944732091.db2.gz CIHCLVSLVXHERU-ZDUSSCGKSA-N 0 2 363.373 3.853 20 5 FHBDLN CC(C)Oc1c(Cl)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436870521 944737753 /nfs/dbraw/zinc/73/77/53/944737753.db2.gz PZFUYPAYVCUQHJ-UHFFFAOYSA-N 0 2 350.758 3.993 20 5 FHBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nn1-c1cc(C)cc(C)c1 ZINC000436874357 944743180 /nfs/dbraw/zinc/74/31/80/944743180.db2.gz UANZRWGRXYEEPV-UHFFFAOYSA-N 0 2 366.377 3.664 20 5 FHBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000468798126 945049959 /nfs/dbraw/zinc/04/99/59/945049959.db2.gz CQICEKGCXLGAFO-VIFPVBQESA-N 0 2 354.284 3.810 20 5 FHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)c2ncccc12 ZINC000184764749 948387160 /nfs/dbraw/zinc/38/71/60/948387160.db2.gz ZDIQQNCVPDRGLN-UHFFFAOYSA-N 0 2 363.782 3.597 20 5 FHBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccc(C(F)(F)F)c1 ZINC000018016281 220221921 /nfs/dbraw/zinc/22/19/21/220221921.db2.gz KYWBYKQITSUHGQ-VIFPVBQESA-N 0 2 354.284 3.810 20 5 FHBDLN COc1ccc(S(=O)(=O)Nc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC000071826144 221380676 /nfs/dbraw/zinc/38/06/76/221380676.db2.gz PQKZHSOFQWKPKW-UHFFFAOYSA-N 0 2 364.423 3.702 20 5 FHBDLN O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000541891746 568073722 /nfs/dbraw/zinc/07/37/22/568073722.db2.gz RLCCUGZMKDCPAE-UHFFFAOYSA-N 0 2 369.308 3.879 20 5 FHBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(-c2cccnc2)cc1 ZINC000436670965 568260208 /nfs/dbraw/zinc/26/02/08/568260208.db2.gz SRCOELOLUBFBEY-CYBMUJFWSA-N 0 2 363.373 3.853 20 5 FHBDLN Cc1cc(Br)cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000436680161 568279953 /nfs/dbraw/zinc/27/99/53/568279953.db2.gz IXSLRYCRCSKYAJ-UHFFFAOYSA-N 0 2 351.156 3.624 20 5 FHBDLN Cc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1Br ZINC000436701955 568338066 /nfs/dbraw/zinc/33/80/66/568338066.db2.gz BCHXTRYBYCPNAK-UHFFFAOYSA-N 0 2 351.156 3.624 20 5 FHBDLN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000436703952 568447422 /nfs/dbraw/zinc/44/74/22/568447422.db2.gz NKFLIUCVUXMKJE-NSHDSACASA-N 0 2 369.381 3.577 20 5 FHBDLN COc1ccc(C)cc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000007418507 568505502 /nfs/dbraw/zinc/50/55/02/568505502.db2.gz UBEWJVZCPMSYPO-UHFFFAOYSA-N 0 2 370.814 3.674 20 5 FHBDLN O=C(CCc1ccccc1Br)Nc1cc([N+](=O)[O-])ccc1O ZINC000534056733 937119179 /nfs/dbraw/zinc/11/91/79/937119179.db2.gz IVIOUMZCVBTXGQ-UHFFFAOYSA-N 0 2 365.183 3.634 20 5 FHBDLN O=C(COc1ccccc1-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000216596001 927279840 /nfs/dbraw/zinc/27/98/40/927279840.db2.gz VMZRLAOSVKQERT-UHFFFAOYSA-N 0 2 364.357 3.985 20 5 FHBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2CC(F)(F)F)cs1 ZINC000120268847 927926359 /nfs/dbraw/zinc/92/63/59/927926359.db2.gz YSMQMSVUGOYKBK-UHFFFAOYSA-N 0 2 366.342 3.562 20 5 FHBDLN Cc1oc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1C(=O)[O-] ZINC000583386690 937396309 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O=[N+]([O-])c1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1 ZINC000435893813 943844649 /nfs/dbraw/zinc/84/46/49/943844649.db2.gz PBXJLQUZXCBFPK-UHFFFAOYSA-N 0 2 365.169 3.842 20 5 FHBDLN Cc1cc2cc[nH]c2cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000436184835 944079659 /nfs/dbraw/zinc/07/96/59/944079659.db2.gz LDMOYGZEKRXKFH-UHFFFAOYSA-N 0 2 365.798 3.839 20 5 FHBDLN Cc1cc(F)c(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1F ZINC000473765352 944392298 /nfs/dbraw/zinc/39/22/98/944392298.db2.gz NWFJSOMROMCKHK-UHFFFAOYSA-N 0 2 356.350 3.599 20 5 FHBDLN Cc1ccc(Cl)c(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC000473774510 944427026 /nfs/dbraw/zinc/42/70/26/944427026.db2.gz SNCBNOLMNCXIFL-UHFFFAOYSA-N 0 2 354.815 3.974 20 5 FHBDLN CC(C)CC(=O)Nc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000469506979 944583849 /nfs/dbraw/zinc/58/38/49/944583849.db2.gz QDNNUXINIBNEAA-UHFFFAOYSA-N 0 2 357.366 3.537 20 5 FHBDLN CCCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCc2ccccc2C1 ZINC000436867919 944733610 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Cc1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1Br ZINC000235878429 939013851 /nfs/dbraw/zinc/01/38/51/939013851.db2.gz VZLRMHGAUKFGFG-UHFFFAOYSA-N 0 2 351.156 3.624 20 5 FHBDLN Cc1ccc(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1Br ZINC000189987569 941328649 /nfs/dbraw/zinc/32/86/49/941328649.db2.gz WOBPSIWVMXOVEJ-UHFFFAOYSA-N 0 2 365.183 3.553 20 5 FHBDLN CC(C)n1cc(Br)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000318729798 943123300 /nfs/dbraw/zinc/12/33/00/943123300.db2.gz MAOFXFNGIHAWHD-UHFFFAOYSA-N 0 2 368.187 3.698 20 5 FHBDLN O=[N+]([O-])c1cccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000435502574 943458842 /nfs/dbraw/zinc/45/88/42/943458842.db2.gz SETOPJQCAYINEQ-UHFFFAOYSA-N 0 2 365.169 3.842 20 5 FHBDLN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1c(C)ccc2cccnc21 ZINC000473756583 944378581 /nfs/dbraw/zinc/37/85/81/944378581.db2.gz NAXUKEWYTWGCBX-UHFFFAOYSA-N 0 2 371.418 3.869 20 5 FHBDLN CCO[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)C12CCCCC2 ZINC000436869117 944734652 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371.418 3.869 20 5 FHBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000436661690 568253144 /nfs/dbraw/zinc/25/31/44/568253144.db2.gz DTEXAHDUXBCKRU-KRWDZBQOSA-N 0 2 364.760 3.665 20 5 FHBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(-c2ccncc2)cc1 ZINC000436671034 568260768 /nfs/dbraw/zinc/26/07/68/568260768.db2.gz UAFQOJOXOUWGOH-CYBMUJFWSA-N 0 2 363.373 3.853 20 5 FHBDLN CCO[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2O)C12CCCCC2 ZINC000436670562 568263812 /nfs/dbraw/zinc/26/38/12/568263812.db2.gz FQFCNEWYPRGLLI-SJORKVTESA-N 0 2 362.426 3.500 20 5 FHBDLN Cc1cc(C)c(S(=O)(=O)Nc2nc(C(C)(C)C)cs2)cc1[N+](=O)[O-] ZINC000493050532 568352960 /nfs/dbraw/zinc/35/29/60/568352960.db2.gz JJZRIJSVSOQCPD-UHFFFAOYSA-N 0 2 369.468 3.766 20 5 FHBDLN C[C@@H]1SCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@@H]1c1ccccc1 ZINC000182029223 568559564 /nfs/dbraw/zinc/55/95/64/568559564.db2.gz FDGRMEMYAUZKLK-SJCJKPOMSA-N 0 2 358.419 3.619 20 5 FHBDLN Cc1cc(NCc2cc[nH+]c(N3CCCCC3)c2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578536444 602313336 /nfs/dbraw/zinc/31/33/36/602313336.db2.gz DAFQEILLAGGZPG-UHFFFAOYSA-N 0 2 370.409 3.599 20 5 FHBDLN