smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2c(cc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1F)OCO2 ZINC000781115808 738599837 /nfs/dbraw/zinc/59/98/37/738599837.db2.gz UQQOOCXEMGXIHZ-UHFFFAOYSA-N 0 2 368.342 2.880 20 5 FFBDLN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000782260458 738703557 /nfs/dbraw/zinc/70/35/57/738703557.db2.gz DOEJLSRYQJRRKK-UHFFFAOYSA-N 0 2 370.770 2.836 20 5 FFBDLN CC(C)Cc1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[nH]n1 ZINC000761841638 736765668 /nfs/dbraw/zinc/76/56/68/736765668.db2.gz LZFDVIUWQDIYNU-UHFFFAOYSA-N 0 2 358.807 2.971 20 5 FFBDLN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(C(F)F)c1 ZINC000766375973 737224124 /nfs/dbraw/zinc/22/41/24/737224124.db2.gz NEHYKZMGSUVNGU-UHFFFAOYSA-N 0 2 366.733 2.949 20 5 FFBDLN COC(=O)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1C ZINC000768883141 737471674 /nfs/dbraw/zinc/47/16/74/737471674.db2.gz WIVIRQYYKPRQCJ-UHFFFAOYSA-N 0 2 356.381 2.552 20 5 FFBDLN COc1ccc(O)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC000777939864 738333252 /nfs/dbraw/zinc/33/32/52/738333252.db2.gz GYRGPTPEDAOYDU-UHFFFAOYSA-N 0 2 356.331 2.557 20 5 FFBDLN Cc1cc(F)c(S(=O)(=O)Nc2cccc3c2CCO3)cc1[N+](=O)[O-] ZINC000794607783 739910299 /nfs/dbraw/zinc/91/02/99/739910299.db2.gz LFKDSHQLYGDLNP-UHFFFAOYSA-N 0 2 352.343 2.778 20 5 FFBDLN COc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c(C)c(OC)c1 ZINC000799928075 740465087 /nfs/dbraw/zinc/46/50/87/740465087.db2.gz LKVQPZYBAZMAOY-UHFFFAOYSA-N 0 2 358.397 2.783 20 5 FFBDLN Cc1cc(-c2noc(C(C)(C)NC(=O)C(F)(F)F)n2)cc([N+](=O)[O-])c1 ZINC000834850422 745913862 /nfs/dbraw/zinc/91/38/62/745913862.db2.gz MHAWWYISASFNCQ-UHFFFAOYSA-N 0 2 358.276 2.867 20 5 FFBDLN Cc1cc(S(=O)(=O)Nc2cnn(C)c2C2CC2)c(C)cc1[N+](=O)[O-] ZINC000840914250 747222578 /nfs/dbraw/zinc/22/25/78/747222578.db2.gz RTJHZBDCOMFPHA-UHFFFAOYSA-N 0 2 350.400 2.623 20 5 FFBDLN CC(C)(C)OC(=O)N1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000846531288 748497710 /nfs/dbraw/zinc/49/77/10/748497710.db2.gz ONDQFALWYSDXBI-UHFFFAOYSA-N 0 2 351.359 2.689 20 5 FFBDLN O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001595011993 951251804 /nfs/dbraw/zinc/25/18/04/951251804.db2.gz FXIFJCDTKZTMJM-CQSZACIVSA-N 0 2 372.381 2.640 20 5 FFBDLN O=C([O-])c1ccc(Nc2ccccc2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC001174505234 1013243662 /nfs/dbraw/zinc/24/36/62/1013243662.db2.gz VHDDPZOQFNIGBE-UHFFFAOYSA-N 0 2 357.366 2.869 20 5 FFBDLN C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCCC[C@@H]1C(=O)[O-] ZINC001594055400 997784364 /nfs/dbraw/zinc/78/43/64/997784364.db2.gz AZDOBDALCYUMMI-FZKQIMNGSA-N 0 2 372.381 2.544 20 5 FFBDLN COc1cccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])c(O)c3)NC2=S)c1 ZINC000742349146 999771230 /nfs/dbraw/zinc/77/12/30/999771230.db2.gz KNWUJNVQIOOZGZ-NTUHNPAUSA-N 0 2 371.374 2.571 20 5 FFBDLN COc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)nc1Cl ZINC000768706670 1000326290 /nfs/dbraw/zinc/32/62/90/1000326290.db2.gz NHMDCFUHFJUSOL-UHFFFAOYSA-N 0 2 374.744 2.689 20 5 FFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000770856671 1000928132 /nfs/dbraw/zinc/92/81/32/1000928132.db2.gz LDCGTKXXWYVLIQ-UHFFFAOYSA-N 0 2 369.293 2.647 20 5 FFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(S[C@H]2CCOC2=O)cc1 ZINC000770864422 1000930602 /nfs/dbraw/zinc/93/06/02/1000930602.db2.gz WWKHYHJPIZQLHC-HNNXBMFYSA-N 0 2 374.374 2.960 20 5 FFBDLN C[C@@H]1[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCN1C(=O)OC(C)(C)C ZINC000787152582 1001669379 /nfs/dbraw/zinc/66/93/79/1001669379.db2.gz XGNQAKWQNIQRAO-ZYHUDNBSSA-N 0 2 365.386 2.884 20 5 FFBDLN CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000779026525 1022666397 /nfs/dbraw/zinc/66/63/97/1022666397.db2.gz BZTDDLHTZDJZJF-NSHDSACASA-N 0 2 365.386 2.886 20 5 FFBDLN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 ZINC000753705119 1023369339 /nfs/dbraw/zinc/36/93/39/1023369339.db2.gz GEMSEIPOBSVQTD-LLVKDONJSA-N 0 2 365.386 2.886 20 5 FFBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(N2CCOC2=O)cc1 ZINC000795619785 1027238677 /nfs/dbraw/zinc/23/86/77/1027238677.db2.gz LLLUUXAZNKCZNS-LLVKDONJSA-N 0 2 371.349 2.748 20 5 FFBDLN CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(O)c2[N+](=O)[O-])C(F)(F)C1 ZINC001225620912 1034337154 /nfs/dbraw/zinc/33/71/54/1034337154.db2.gz XVABZRPWNCFJGD-LLVKDONJSA-N 0 2 360.313 2.934 20 5 FFBDLN CC(C)(C)OC(=O)N1C[C@H](Oc2cccc(O)c2[N+](=O)[O-])C(F)(F)C1 ZINC001225620916 1034338040 /nfs/dbraw/zinc/33/80/40/1034338040.db2.gz XVABZRPWNCFJGD-NSHDSACASA-N 0 2 360.313 2.934 20 5 FFBDLN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC001535714684 1069876812 /nfs/dbraw/zinc/87/68/12/1069876812.db2.gz KNDDTVLOVWZTIV-UHFFFAOYSA-N 0 2 362.304 2.712 20 5 FFBDLN O=c1nc2ncsc2c(OC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC001227608065 1035635338 /nfs/dbraw/zinc/63/53/38/1035635338.db2.gz QNOWAANRWVPADO-UHFFFAOYSA-N 0 2 373.394 2.748 20 5 FFBDLN CCCOC(=O)[C@H](C)Oc1[nH]c(=O)nc2nc3cc(C)c(C)cc3nc21 ZINC001228683596 1036255411 /nfs/dbraw/zinc/25/54/11/1036255411.db2.gz AZPMGMNFDABCAM-NSHDSACASA-N 0 2 356.382 2.616 20 5 FFBDLN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228968411 1036439553 /nfs/dbraw/zinc/43/95/53/1036439553.db2.gz JAUVZQARFSPKAS-RNCFNFMXSA-N 0 2 354.359 2.640 20 5 FFBDLN CC(C)(C)OC(=O)N1CC2(CC(Oc3cc(O)cc(O)c3[N+](=O)[O-])C2)C1 ZINC001228969010 1036441994 /nfs/dbraw/zinc/44/19/94/1036441994.db2.gz WMOXMQYZKHOZME-UHFFFAOYSA-N 0 2 366.370 2.784 20 5 FFBDLN CCCSc1nc(O[C@H]2CCC[C@H](C(=O)OC)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229790749 1036897602 /nfs/dbraw/zinc/89/76/02/1036897602.db2.gz CVLDYZNRUXRXCC-UWVGGRQHSA-N 0 2 371.415 2.703 20 5 FFBDLN CCCSc1nc(OC2CC(CC(=O)OCC)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229792617 1036900429 /nfs/dbraw/zinc/90/04/29/1036900429.db2.gz UZBAPZPGBOUYGL-UHFFFAOYSA-N 0 2 371.415 2.703 20 5 FFBDLN CC(C)(C)N(c1ccc(O)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(N)cc1 ZINC001210400158 1039521694 /nfs/dbraw/zinc/52/16/94/1039521694.db2.gz CZNQAIZQFPOUQM-UHFFFAOYSA-N 0 2 365.411 2.876 20 5 FFBDLN CCOC(=O)c1nnsc1Nc1cc(C(=O)OCC)cc([N+](=O)[O-])c1 ZINC001211369302 1040112566 /nfs/dbraw/zinc/11/25/66/1040112566.db2.gz DJUCIBKSDAYDIM-UHFFFAOYSA-N 0 2 366.355 2.543 20 5 FFBDLN COc1cc(-c2nc(-c3ccc4nccnc4c3)no2)cc([N+](=O)[O-])c1O ZINC001216837292 1042140215 /nfs/dbraw/zinc/14/02/15/1042140215.db2.gz VKOWWQCSGPAAQO-UHFFFAOYSA-N 0 2 365.305 2.969 20 5 FFBDLN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ocnc1C(F)F ZINC001264282436 1042660802 /nfs/dbraw/zinc/66/08/02/1042660802.db2.gz UOFVKGAHJFOAOQ-UHFFFAOYSA-N 0 2 355.253 2.934 20 5 FFBDLN CC(C)(C)OC(=O)CC[C@H]1Cc2ccccc2N(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001303654785 1051415301 /nfs/dbraw/zinc/41/53/01/1051415301.db2.gz SMKGIVCRPDNNOP-YSVLISHTSA-N 0 2 374.437 2.979 20 5 FFBDLN COC(=O)[C@]1(NC(=O)c2ccc([N+](=O)[O-])cc2O)CCCC(C)(C)C1 ZINC001557543807 1075860509 /nfs/dbraw/zinc/86/05/09/1075860509.db2.gz WZLGRAOIOZBBQH-KRWDZBQOSA-N 0 2 350.371 2.542 20 5 FFBDLN C[C@@]1(C(=O)[O-])CCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001589186775 1080403489 /nfs/dbraw/zinc/40/34/89/1080403489.db2.gz CVBRHECSJCZWIN-HNNXBMFYSA-N 0 2 366.761 2.737 20 5 FFBDLN C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001589186775 1080403492 /nfs/dbraw/zinc/40/34/92/1080403492.db2.gz CVBRHECSJCZWIN-HNNXBMFYSA-N 0 2 366.761 2.737 20 5 FFBDLN CC(=O)Nc1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])ccc1F ZINC000055581388 221072314 /nfs/dbraw/zinc/07/23/14/221072314.db2.gz LECJBORABYWICM-UHFFFAOYSA-N 0 2 367.358 2.802 20 5 FFBDLN Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-])CCCC2 ZINC000279196355 256392355 /nfs/dbraw/zinc/39/23/55/256392355.db2.gz MAHHTNUWVHHFNW-INIZCTEOSA-N 0 2 370.409 2.890 20 5 FFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000288121387 257149654 /nfs/dbraw/zinc/14/96/54/257149654.db2.gz XXVHABAQNATVDW-BRWVUGGUSA-N 0 2 368.389 2.945 20 5 FFBDLN CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C2 ZINC000332678835 258240003 /nfs/dbraw/zinc/24/00/03/258240003.db2.gz UDWAMPUNNGQODS-LBPRGKRZSA-N 0 2 358.398 2.539 20 5 FFBDLN CCOc1ccccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000028204327 507713959 /nfs/dbraw/zinc/71/39/59/507713959.db2.gz ZPPVDWKUNUENKU-UHFFFAOYSA-N 0 2 371.393 2.662 20 5 FFBDLN O=C(NCC1(c2ccccc2)CCOCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000031934973 507822398 /nfs/dbraw/zinc/82/23/98/507822398.db2.gz WXAADQPBLXLTOV-UHFFFAOYSA-N 0 2 356.378 2.779 20 5 FFBDLN Cc1oncc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000089495118 507843806 /nfs/dbraw/zinc/84/38/06/507843806.db2.gz FIVNLEMOSXMSOY-UHFFFAOYSA-N 0 2 351.262 2.711 20 5 FFBDLN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000093930481 508161739 /nfs/dbraw/zinc/16/17/39/508161739.db2.gz BINLAUXTALYDKN-UHFFFAOYSA-N 0 2 352.416 2.562 20 5 FFBDLN COCc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000115928402 508456455 /nfs/dbraw/zinc/45/64/55/508456455.db2.gz VVNKASFAXDUHDL-UHFFFAOYSA-N 0 2 363.804 2.652 20 5 FFBDLN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)c([N+](=O)[O-])c1 ZINC000158599605 508726679 /nfs/dbraw/zinc/72/66/79/508726679.db2.gz FRVDDXJRLKAPHS-UHFFFAOYSA-N 0 2 361.379 2.589 20 5 FFBDLN COc1ccc(S(=O)(=O)Nc2ccc3oc(C)nc3c2)c([N+](=O)[O-])c1 ZINC000119248502 508756422 /nfs/dbraw/zinc/75/64/22/508756422.db2.gz LGSCFTCDKZRABL-UHFFFAOYSA-N 0 2 363.351 2.854 20 5 FFBDLN O=C(Nc1cccc(-c2nc(=O)o[nH]2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000119965707 508899464 /nfs/dbraw/zinc/89/94/64/508899464.db2.gz KWKKEVDZQVVMNT-UHFFFAOYSA-N 0 2 360.713 2.844 20 5 FFBDLN COc1cc(F)c([N+](=O)[O-])c(N(C)Cc2nc(=O)c3sccc3[nH]2)c1 ZINC000160577601 509004854 /nfs/dbraw/zinc/00/48/54/509004854.db2.gz ICVILPQNHOXASD-UHFFFAOYSA-N 0 2 364.358 2.677 20 5 FFBDLN CCc1cc(C2CC2)nc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000191846380 509209244 /nfs/dbraw/zinc/20/92/44/509209244.db2.gz YGEYICYHRUIVEX-UHFFFAOYSA-N 0 2 362.411 2.934 20 5 FFBDLN COCc1csc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000191902801 509237428 /nfs/dbraw/zinc/23/74/28/509237428.db2.gz CNBMYOLMSPJFMF-UHFFFAOYSA-N 0 2 357.413 2.615 20 5 FFBDLN COc1ccc(S(=O)(=O)Nc2nc(C(C)C)cs2)cc1[N+](=O)[O-] ZINC000175961595 509239491 /nfs/dbraw/zinc/23/94/91/509239491.db2.gz XGXOCEYXSBVPHI-UHFFFAOYSA-N 0 2 357.413 2.984 20 5 FFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000185595889 509256513 /nfs/dbraw/zinc/25/65/13/509256513.db2.gz SRFIGQKPLMKJBJ-INIZCTEOSA-N 0 2 356.378 2.774 20 5 FFBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000162625555 509267870 /nfs/dbraw/zinc/26/78/70/509267870.db2.gz WHHQWLDDJBAGNR-UHFFFAOYSA-N 0 2 373.394 2.865 20 5 FFBDLN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1C(=O)NC(C)C ZINC000185719478 509323403 /nfs/dbraw/zinc/32/34/03/509323403.db2.gz IAEMTHYYGXKEAU-UHFFFAOYSA-N 0 2 357.366 2.999 20 5 FFBDLN CCn1cnnc1-c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000185812568 509367545 /nfs/dbraw/zinc/36/75/45/509367545.db2.gz SGEPFKNIIDBPCM-UHFFFAOYSA-N 0 2 353.338 2.831 20 5 FFBDLN CN(Cc1cc(Br)cn1C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000163493070 509383107 /nfs/dbraw/zinc/38/31/07/509383107.db2.gz SFNLEQOVTMFPNM-UHFFFAOYSA-N 0 2 368.187 2.674 20 5 FFBDLN CCCc1csc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])n1 ZINC000182740370 509402567 /nfs/dbraw/zinc/40/25/67/509402567.db2.gz WUBPDMNEFBBMBP-UHFFFAOYSA-N 0 2 355.441 2.988 20 5 FFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000179521933 509492885 /nfs/dbraw/zinc/49/28/85/509492885.db2.gz AOEYBOLRYRWQLL-OAHLLOKOSA-N 0 2 356.378 2.979 20 5 FFBDLN Cc1c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnn1-c1ccc(C)cc1 ZINC000166183327 509596456 /nfs/dbraw/zinc/59/64/56/509596456.db2.gz RWPZFGGEHPGLDP-UHFFFAOYSA-N 0 2 353.338 2.750 20 5 FFBDLN O=C(Nc1ccc2nn[nH]c2c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000176718159 509657983 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Cc1nc(NS(=O)(=O)c2ccc(OC(C)C)cc2)ccc1[N+](=O)[O-] ZINC000180756835 510093659 /nfs/dbraw/zinc/09/36/59/510093659.db2.gz OOIWSCAVKHPUGG-UHFFFAOYSA-N 0 2 351.384 2.886 20 5 FFBDLN COc1ccccc1N1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000184330263 510265662 /nfs/dbraw/zinc/26/56/62/510265662.db2.gz CLQYABKFQHCYNG-UHFFFAOYSA-N 0 2 371.393 2.708 20 5 FFBDLN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000187630336 510361638 /nfs/dbraw/zinc/36/16/38/510361638.db2.gz PTBIAXWNVQCNST-FTJNGKRUSA-N 0 2 362.407 2.871 20 5 FFBDLN O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000184642145 510435819 /nfs/dbraw/zinc/43/58/19/510435819.db2.gz YZHHNJUNRURHBL-UHFFFAOYSA-N 0 2 369.377 2.969 20 5 FFBDLN CCCc1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)o1 ZINC000194740841 510505725 /nfs/dbraw/zinc/50/57/25/510505725.db2.gz SDHJNNSAASZQJO-UHFFFAOYSA-N 0 2 360.779 2.693 20 5 FFBDLN Cc1ccc(C)c(S(=O)(=O)Nc2nnc(C(C)(C)C)o2)c1[N+](=O)[O-] ZINC000194789122 510528944 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Cc1cc(S(=O)(=O)Nc2nc3c(s2)CSCC3)ccc1[N+](=O)[O-] ZINC000375713452 512467935 /nfs/dbraw/zinc/46/79/35/512467935.db2.gz CMUCQRIPFBRMMV-UHFFFAOYSA-N 0 2 371.465 2.950 20 5 FFBDLN O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000373921105 512571294 /nfs/dbraw/zinc/57/12/94/512571294.db2.gz ZIJUQRFCUCOOAX-LBPRGKRZSA-N 0 2 359.357 2.838 20 5 FFBDLN COc1cccc([C@H]2CN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CCO2)c1 ZINC000367593223 512575740 /nfs/dbraw/zinc/57/57/40/512575740.db2.gz GSTIGKMTTUWTMY-QGZVFWFLSA-N 0 2 358.350 2.523 20 5 FFBDLN O=C(Nc1ccccc1)C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000370603328 513013267 /nfs/dbraw/zinc/01/32/67/513013267.db2.gz UIJZMCLHKCASMN-UHFFFAOYSA-N 0 2 369.377 2.791 20 5 FFBDLN CC[C@@](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])(C(=O)OC)c1ccccc1 ZINC000412971234 513374603 /nfs/dbraw/zinc/37/46/03/513374603.db2.gz MEUWAHMXMOQUDM-IBGZPJMESA-N 0 2 372.377 2.551 20 5 FFBDLN CCOc1ncc(C)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000451071593 513497641 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2.623 20 5 FFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)c(F)c1 ZINC000055576813 506784604 /nfs/dbraw/zinc/78/46/04/506784604.db2.gz QZNZBTSKGKNJHO-UHFFFAOYSA-N 0 2 374.353 2.992 20 5 FFBDLN Cc1cc([C@H]2CN(C(=O)c3cccc(O)c3[N+](=O)[O-])CCO2)ccc1F ZINC000367092291 512333897 /nfs/dbraw/zinc/33/38/97/512333897.db2.gz DPJNIEWIHSBKLL-MRXNPFEDSA-N 0 2 360.341 2.962 20 5 FFBDLN CCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cnn1-c1ccccn1 ZINC000089540858 507845715 /nfs/dbraw/zinc/84/57/15/507845715.db2.gz IDBHJYPSLPHGNX-UHFFFAOYSA-N 0 2 353.338 2.696 20 5 FFBDLN CCCCc1nnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000083955672 508260901 /nfs/dbraw/zinc/26/09/01/508260901.db2.gz GDIRHVNUFJVSOT-UHFFFAOYSA-N 0 2 356.429 2.898 20 5 FFBDLN CCCc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000127335562 508434088 /nfs/dbraw/zinc/43/40/88/508434088.db2.gz SOIQZIKAGQJOGZ-UHFFFAOYSA-N 0 2 357.413 2.813 20 5 FFBDLN CN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000157556423 508580817 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20 5 FFBDLN CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1C ZINC000158584039 508723825 /nfs/dbraw/zinc/72/38/25/508723825.db2.gz GGYHLKXXFWKSOX-UHFFFAOYSA-N 0 2 363.395 2.971 20 5 FFBDLN CCc1nc(-c2ccccc2NS(=O)(=O)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000159246614 508813893 /nfs/dbraw/zinc/81/38/93/508813893.db2.gz LNZNYSXDKIORQI-UHFFFAOYSA-N 0 2 373.394 2.743 20 5 FFBDLN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccc2c(c1)OCO2 ZINC000145511320 508845277 /nfs/dbraw/zinc/84/52/77/508845277.db2.gz XGMQRELJXZXRKG-UHFFFAOYSA-N 0 2 356.743 2.778 20 5 FFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H](c1ccccc1)N1CCCCC1=O ZINC000124950071 508909528 /nfs/dbraw/zinc/90/95/28/508909528.db2.gz YGSFWYIUPYRDCO-GOSISDBHSA-N 0 2 369.377 2.993 20 5 FFBDLN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000124965867 508911718 /nfs/dbraw/zinc/91/17/18/508911718.db2.gz AOOUESZZGDJISB-OAHLLOKOSA-N 0 2 371.393 2.767 20 5 FFBDLN Cc1cc(S(=O)(=O)Nc2cncc(Br)c2)ccc1[N+](=O)[O-] ZINC000179176649 509305426 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O=C(Nc1ccc2nnc(C3CCC3)n2c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000190293231 510047689 /nfs/dbraw/zinc/04/76/89/510047689.db2.gz IMWZYKKXQHHMTO-UHFFFAOYSA-N 0 2 353.338 2.863 20 5 FFBDLN COc1ccc(S(=O)(=O)Nc2nc(C(C)(C)C)ns2)c([N+](=O)[O-])c1 ZINC000265437060 510052756 /nfs/dbraw/zinc/05/27/56/510052756.db2.gz OWMOSALRGPBNNF-UHFFFAOYSA-N 0 2 372.428 2.553 20 5 FFBDLN COc1ccc(S(=O)(=O)Nc2ccnn2[C@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000171342967 510092225 /nfs/dbraw/zinc/09/22/25/510092225.db2.gz ATGOOVBMVAHIPT-SNVBAGLBSA-N 0 2 366.399 2.572 20 5 FFBDLN C[C@@H](C1CC1)n1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000171341746 510092818 /nfs/dbraw/zinc/09/28/18/510092818.db2.gz CIUTZTCBHUIIEB-VIFPVBQESA-N 0 2 354.363 2.702 20 5 FFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000187421910 510255348 /nfs/dbraw/zinc/25/53/48/510255348.db2.gz MAIWGEUNQKLRLK-UHFFFAOYSA-N 0 2 374.368 2.649 20 5 FFBDLN O=C(NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1O ZINC000187664670 510375757 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FFBDLN CC(C)(C)C(=O)NC1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1 ZINC000279474347 511095664 /nfs/dbraw/zinc/09/56/64/511095664.db2.gz NRNJJSBVRGWQJM-UHFFFAOYSA-N 0 2 363.414 2.960 20 5 FFBDLN C[C@@H]1CN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cn2)C[C@H](C)O1 ZINC000298781984 511408176 /nfs/dbraw/zinc/40/81/76/511408176.db2.gz MNXLWFWVSLYQDT-TXEJJXNPSA-N 0 2 372.381 2.561 20 5 FFBDLN C[C@H]1CN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cn2)C[C@H](C)O1 ZINC000298781982 511408252 /nfs/dbraw/zinc/40/82/52/511408252.db2.gz MNXLWFWVSLYQDT-RYUDHWBXSA-N 0 2 372.381 2.561 20 5 FFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccnc1OC(C)C ZINC000298838931 511427011 /nfs/dbraw/zinc/42/70/11/511427011.db2.gz FGPJDEISYHZSMV-UHFFFAOYSA-N 0 2 367.383 2.586 20 5 FFBDLN C[C@H]1COCCN1c1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000280685992 511562689 /nfs/dbraw/zinc/56/26/89/511562689.db2.gz CVTPFAQKQWPSCX-LBPRGKRZSA-N 0 2 357.366 2.778 20 5 FFBDLN O=C(Nc1ccc(N2CCC(O)CC2)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000280852820 511627984 /nfs/dbraw/zinc/62/79/84/511627984.db2.gz WFQABPRCJYMGLA-UHFFFAOYSA-N 0 2 357.366 2.514 20 5 FFBDLN O=C(NC[C@H]1CCN(c2ccccc2F)C1)c1cccc(O)c1[N+](=O)[O-] ZINC000292574183 511648336 /nfs/dbraw/zinc/64/83/36/511648336.db2.gz SXQVWFSQGDJPLX-GFCCVEGCSA-N 0 2 359.357 2.696 20 5 FFBDLN COC(=O)c1nc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)sc1C(C)C ZINC000292937259 511777930 /nfs/dbraw/zinc/77/79/30/511777930.db2.gz GDKBYKBNFBVTGO-UHFFFAOYSA-N 0 2 365.367 2.919 20 5 FFBDLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000327688447 511880386 /nfs/dbraw/zinc/88/03/86/511880386.db2.gz RKJQSTTUUJOMGU-UHFFFAOYSA-N 0 2 368.342 2.630 20 5 FFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCN1C(=O)Nc1ccccc1 ZINC000367502350 512532161 /nfs/dbraw/zinc/53/21/61/512532161.db2.gz HSHLGJBKTOWNEO-HNNXBMFYSA-N 0 2 370.365 2.935 20 5 FFBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@H](Oc2ncccc2F)C1 ZINC000376143468 512680607 /nfs/dbraw/zinc/68/06/07/512680607.db2.gz UGMJAXYWVDFSBG-LBPRGKRZSA-N 0 2 361.329 2.518 20 5 FFBDLN C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000421918631 513474319 /nfs/dbraw/zinc/47/43/19/513474319.db2.gz IKNZIYBHLLJALY-RYUDHWBXSA-N 0 2 364.398 2.883 20 5 FFBDLN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000421918633 513474370 /nfs/dbraw/zinc/47/43/70/513474370.db2.gz IKNZIYBHLLJALY-VXGBXAGGSA-N 0 2 364.398 2.883 20 5 FFBDLN CC(C)Nc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c(Cl)cnn1C ZINC000451096831 513517382 /nfs/dbraw/zinc/51/73/82/513517382.db2.gz PMQBYGRIRZPVGA-UHFFFAOYSA-N 0 2 373.822 2.603 20 5 FFBDLN Cc1ccc(S(=O)(=O)Nc2ccc3c(n2)CCCC3=O)cc1[N+](=O)[O-] ZINC000451105823 513527290 /nfs/dbraw/zinc/52/72/90/513527290.db2.gz NPGQJARJFYLYGC-UHFFFAOYSA-N 0 2 361.379 2.618 20 5 FFBDLN COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000436162147 513778328 /nfs/dbraw/zinc/77/83/28/513778328.db2.gz MSKSZRQWOFBJMB-UHFFFAOYSA-N 0 2 370.408 2.861 20 5 FFBDLN Cc1cc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3O)ccc2n(C)c1=O ZINC000436742570 513964833 /nfs/dbraw/zinc/96/48/33/513964833.db2.gz VWEMQDMMLVNGIE-UHFFFAOYSA-N 0 2 353.334 2.713 20 5 FFBDLN C[C@H](c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1)[NH+]1CCOCC1 ZINC000436779209 513976288 /nfs/dbraw/zinc/97/62/88/513976288.db2.gz UOAPLIKIKXDVHU-CYBMUJFWSA-N 0 2 371.393 2.946 20 5 FFBDLN CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436823690 513996271 /nfs/dbraw/zinc/99/62/71/513996271.db2.gz WMELTJPRJSXOKN-UHFFFAOYSA-N 0 2 360.351 2.684 20 5 FFBDLN O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436951494 514047046 /nfs/dbraw/zinc/04/70/46/514047046.db2.gz SFVHQBITSAASCJ-UHFFFAOYSA-N 0 2 355.350 2.789 20 5 FFBDLN CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436954208 514047615 /nfs/dbraw/zinc/04/76/15/514047615.db2.gz FCYTZLMPHWIOBI-AWEZNQCLSA-N 0 2 372.377 2.993 20 5 FFBDLN COc1cc2c(cc1CNC(=O)c1cc([N+](=O)[O-])ccc1O)O[C@H](C)C2 ZINC000436955365 514048655 /nfs/dbraw/zinc/04/86/55/514048655.db2.gz FASGLAXPKSLLRA-SNVBAGLBSA-N 0 2 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ZINC000445699979 514506893 /nfs/dbraw/zinc/50/68/93/514506893.db2.gz PWZGHSITPXINBF-VIFPVBQESA-N 0 2 358.313 2.989 20 5 FFBDLN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccncc1[N+](=O)[O-] ZINC000461114365 514519740 /nfs/dbraw/zinc/51/97/40/514519740.db2.gz AYWSUPKIPUGMFN-UHFFFAOYSA-N 0 2 361.301 2.540 20 5 FFBDLN COc1cc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1F ZINC000479557920 514630789 /nfs/dbraw/zinc/63/07/89/514630789.db2.gz YWBMATUPYQZEGL-UHFFFAOYSA-N 0 2 370.358 2.860 20 5 FFBDLN Cc1sc(S(=O)(=O)Nc2cnn(CC(C)C)c2C)cc1[N+](=O)[O-] ZINC000466961697 514841582 /nfs/dbraw/zinc/84/15/82/514841582.db2.gz NYBLFYOXRXANLN-UHFFFAOYSA-N 0 2 358.445 2.926 20 5 FFBDLN Cc1sc(S(=O)(=O)Nc2ccccc2-c2nc[nH]n2)cc1[N+](=O)[O-] ZINC000466963725 514842237 /nfs/dbraw/zinc/84/22/37/514842237.db2.gz LGCSDDQYMRCAQA-UHFFFAOYSA-N 0 2 365.396 2.551 20 5 FFBDLN COC(=O)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000466962371 514842304 /nfs/dbraw/zinc/84/23/04/514842304.db2.gz VFZHMHTXBFZREY-UHFFFAOYSA-N 0 2 356.381 2.552 20 5 FFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC(OCCCOc2ccccc2)C1 ZINC000480254911 514899216 /nfs/dbraw/zinc/89/92/16/514899216.db2.gz BTRLSHYSTHVZKG-UHFFFAOYSA-N 0 2 372.377 2.611 20 5 FFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1c2c(nn1C(C)C)CCC2 ZINC000471949776 515064286 /nfs/dbraw/zinc/06/42/86/515064286.db2.gz YKEOFGRLIKTASC-UHFFFAOYSA-N 0 2 364.427 2.970 20 5 FFBDLN CCc1nc(C)c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)s1 ZINC000490397013 515197803 /nfs/dbraw/zinc/19/78/03/515197803.db2.gz IZHRTAKXTBLWGE-UHFFFAOYSA-N 0 2 358.383 2.960 20 5 FFBDLN COc1c(F)cc(F)cc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000499271682 515263966 /nfs/dbraw/zinc/26/39/66/515263966.db2.gz IRGLJVSLRFEMCW-UHFFFAOYSA-N 0 2 372.349 2.866 20 5 FFBDLN CC(C)(C)OC(=O)c1cccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1 ZINC000485975304 515281591 /nfs/dbraw/zinc/28/15/91/515281591.db2.gz JCGSXPKCGMTRAR-BQYQJAHWSA-N 0 2 359.338 2.922 20 5 FFBDLN COCCc1nsc(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000486011985 515297031 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FFBDLN Cc1sc(S(=O)(=O)Nc2cnn([C@@H](C)C3CC3)c2)cc1[N+](=O)[O-] ZINC000488381593 516208867 /nfs/dbraw/zinc/20/88/67/516208867.db2.gz CGRWEMOJUYQHDB-QMMMGPOBSA-N 0 2 356.429 2.933 20 5 FFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nccs2)c(Br)c1 ZINC000535618161 516422966 /nfs/dbraw/zinc/42/29/66/516422966.db2.gz UENLYEAVNOSAQU-UHFFFAOYSA-N 0 2 364.202 2.615 20 5 FFBDLN COc1cc(OC)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000531527544 516508615 /nfs/dbraw/zinc/50/86/15/516508615.db2.gz UADSMSUUEKSSHN-UHFFFAOYSA-N 0 2 356.331 2.552 20 5 FFBDLN COC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000561749487 516747355 /nfs/dbraw/zinc/74/73/55/516747355.db2.gz SJMVVSGGHYHLEL-GFCCVEGCSA-N 0 2 358.350 2.504 20 5 FFBDLN COc1cc(S(=O)(=O)Nc2ccc(Cl)cc2O)ccc1[N+](=O)[O-] ZINC000513812724 516765307 /nfs/dbraw/zinc/76/53/07/516765307.db2.gz QFRJOYDFVADVJY-UHFFFAOYSA-N 0 2 358.759 2.763 20 5 FFBDLN Cn1ccnc1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000548445228 516989305 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Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc2c1OCCO2 ZINC000535342310 518175417 /nfs/dbraw/zinc/17/54/17/518175417.db2.gz ZVNUKMNOPJHQMZ-UHFFFAOYSA-N 0 2 364.379 2.784 20 5 FFBDLN O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000579385681 518655354 /nfs/dbraw/zinc/65/53/54/518655354.db2.gz JNYLSSQRQGEUEF-GDBMZVCRSA-N 0 2 364.304 2.839 20 5 FFBDLN CCOc1ncccc1NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590598143 519281418 /nfs/dbraw/zinc/28/14/18/519281418.db2.gz IWVKCMNWZJGSCY-UHFFFAOYSA-N 0 2 355.347 2.637 20 5 FFBDLN O=C([O-])Cc1ccc(NCc2ccc(N3CCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000580649021 519284862 /nfs/dbraw/zinc/28/48/62/519284862.db2.gz NKCXJIVYRNHAGR-UHFFFAOYSA-N 0 2 356.382 2.829 20 5 FFBDLN CC(C)(C)OC(=O)CN(C(=O)c1cc([N+](=O)[O-])ccc1O)C1CCC1 ZINC000594423823 519957473 /nfs/dbraw/zinc/95/74/73/519957473.db2.gz FVGFTGJKZLPYTH-UHFFFAOYSA-N 0 2 350.371 2.637 20 5 FFBDLN CC(C)[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)N1Cc2ccccc2C1=O ZINC000597491024 520060669 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FFBDLN CC(C)(CO)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccs1 ZINC000597846683 520276695 /nfs/dbraw/zinc/27/66/95/520276695.db2.gz QYVMENMVXPWWLT-AWEZNQCLSA-N 0 2 350.396 2.852 20 5 FFBDLN CO[C@](C)(CNC(=O)c1cccc(O)c1[N+](=O)[O-])COCc1ccccc1 ZINC000597990632 520364919 /nfs/dbraw/zinc/36/49/19/520364919.db2.gz BCBCHPWZAIPTHU-LJQANCHMSA-N 0 2 374.393 2.652 20 5 FFBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000598140602 520448313 /nfs/dbraw/zinc/44/83/13/520448313.db2.gz VZLKMKSPKYFHQG-MRXNPFEDSA-N 0 2 358.350 2.887 20 5 FFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Br)cc2O)cc1 ZINC000610254180 520604287 /nfs/dbraw/zinc/60/42/87/520604287.db2.gz FQYGMTAUTNMCLW-UHFFFAOYSA-N 0 2 373.184 2.864 20 5 FFBDLN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N=c1ccc(C2CC2)n[nH]1 ZINC000604708812 520644224 /nfs/dbraw/zinc/64/42/24/520644224.db2.gz XIXVOBRYVWOAJO-UHFFFAOYSA-N 0 2 370.412 2.883 20 5 FFBDLN COc1ccccc1N1CC[NH+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000593732370 521180141 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20 5 FFBDLN O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1O ZINC000187664647 510375847 /nfs/dbraw/zinc/37/58/47/510375847.db2.gz IXDCYHSATFWFNQ-XPTSAGLGSA-N 0 2 362.304 2.514 20 5 FFBDLN COc1ccc(S(=O)(=O)Nc2cnn([C@@H](C)C3CC3)c2)cc1[N+](=O)[O-] ZINC000187748044 510413909 /nfs/dbraw/zinc/41/39/09/510413909.db2.gz HGOVWSULSUPBOA-JTQLQIEISA-N 0 2 366.399 2.572 20 5 FFBDLN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184631771 510429115 /nfs/dbraw/zinc/42/91/15/510429115.db2.gz KZVVHRZVDDXERJ-UHFFFAOYSA-N 0 2 357.366 2.628 20 5 FFBDLN Cc1cc(N2CCOCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184645753 510436972 /nfs/dbraw/zinc/43/69/72/510436972.db2.gz XZGQFGBHVHHPFP-UHFFFAOYSA-N 0 2 357.366 2.698 20 5 FFBDLN COCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cnn1-c1ccccc1 ZINC000184834801 510536470 /nfs/dbraw/zinc/53/64/70/510536470.db2.gz MJMGVTUXNNSKKM-UHFFFAOYSA-N 0 2 368.349 2.885 20 5 FFBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2c3c(nn2C)CCC3)cc1[N+](=O)[O-] ZINC000270499183 510888198 /nfs/dbraw/zinc/88/81/98/510888198.db2.gz WOXZXAHKIOJBDO-UHFFFAOYSA-N 0 2 370.818 2.580 20 5 FFBDLN O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279471566 511094414 /nfs/dbraw/zinc/09/44/14/511094414.db2.gz GNJPSHFPDVBWFA-UHFFFAOYSA-N 0 2 370.409 2.853 20 5 FFBDLN O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279583266 511135422 /nfs/dbraw/zinc/13/54/22/511135422.db2.gz SUCLMNIZDPTQMZ-UHFFFAOYSA-N 0 2 370.409 2.853 20 5 FFBDLN CCCc1nc(C)c(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])o1 ZINC000292053926 511447259 /nfs/dbraw/zinc/44/72/59/511447259.db2.gz NVZHLRZEVGQGEN-UHFFFAOYSA-N 0 2 373.818 2.976 20 5 FFBDLN COCCc1ccnc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000285171574 512026214 /nfs/dbraw/zinc/02/62/14/512026214.db2.gz UAOGKLNERBFYHT-UHFFFAOYSA-N 0 2 365.411 2.596 20 5 FFBDLN Cc1ccc(C2=NO[C@@H](CNC(=O)c3cc(O)ccc3[N+](=O)[O-])C2)cc1 ZINC000375909052 512565730 /nfs/dbraw/zinc/56/57/30/512565730.db2.gz FIXAXZVOZOGVSN-CQSZACIVSA-N 0 2 355.350 2.532 20 5 FFBDLN Cc1cc(S(=O)(=O)Nc2ccc(-c3cncnc3)cn2)ccc1[N+](=O)[O-] ZINC000374063779 512645832 /nfs/dbraw/zinc/64/58/32/512645832.db2.gz VXQSWEYECJQZSJ-UHFFFAOYSA-N 0 2 371.378 2.556 20 5 FFBDLN O=C(c1ccc(O)cc1)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000378556855 512822172 /nfs/dbraw/zinc/82/21/72/512822172.db2.gz XQQRWSBVNZJJHB-UHFFFAOYSA-N 0 2 370.361 2.741 20 5 FFBDLN CCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)c1 ZINC000392857732 512929477 /nfs/dbraw/zinc/92/94/77/512929477.db2.gz MMLSZKMEXLSUBS-UHFFFAOYSA-N 0 2 364.379 2.745 20 5 FFBDLN CC(=O)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)c2ccccc21 ZINC000368463400 512960401 /nfs/dbraw/zinc/96/04/01/512960401.db2.gz ZSRZNBYKXZBWKC-HNNXBMFYSA-N 0 2 355.350 2.528 20 5 FFBDLN C[C@@H](C(=O)OC(C)(C)C)N(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CC1 ZINC000412505677 513140814 /nfs/dbraw/zinc/14/08/14/513140814.db2.gz KIDUBXLXERCGQD-JTQLQIEISA-N 0 2 350.371 2.635 20 5 FFBDLN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc2[nH]ccc21 ZINC000425988008 513818156 /nfs/dbraw/zinc/81/81/56/513818156.db2.gz LZSZRXHDEXLLKG-UHFFFAOYSA-N 0 2 355.306 2.821 20 5 FFBDLN Cn1cc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)c(C(F)(F)F)n1 ZINC000426209818 513872282 /nfs/dbraw/zinc/87/22/82/513872282.db2.gz JUVCRYOXOCAFFW-UHFFFAOYSA-N 0 2 355.232 2.770 20 5 FFBDLN C[C@H](C(=O)OC(C)(C)C)N(C(=O)c1cc([N+](=O)[O-])ccc1O)C1CC1 ZINC000413920942 513881365 /nfs/dbraw/zinc/88/13/65/513881365.db2.gz WOOAAXBXMUJFLG-SNVBAGLBSA-N 0 2 350.371 2.635 20 5 FFBDLN Cn1cnnc1Sc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000436625245 513921758 /nfs/dbraw/zinc/92/17/58/513921758.db2.gz CRIZFOIZOHKBDV-UHFFFAOYSA-N 0 2 371.378 2.832 20 5 FFBDLN CC[C@](NC(=O)c1ccc([N+](=O)[O-])cc1O)(C(=O)OC)c1ccccc1 ZINC000436657265 513932287 /nfs/dbraw/zinc/93/22/87/513932287.db2.gz LAKYENMGRFPOGW-GOSISDBHSA-N 0 2 358.350 2.509 20 5 FFBDLN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2O)nnn1Cc1ccccc1F ZINC000436711057 513952764 /nfs/dbraw/zinc/95/27/64/513952764.db2.gz COELCIFVWGMTAS-UHFFFAOYSA-N 0 2 371.328 2.640 20 5 FFBDLN CCOCCOCc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000436751526 513965619 /nfs/dbraw/zinc/96/56/19/513965619.db2.gz LZIXAKMBMKANAX-UHFFFAOYSA-N 0 2 374.393 2.784 20 5 FFBDLN O=C(NCc1ccncc1OCC(F)(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000436787087 513980282 /nfs/dbraw/zinc/98/02/82/513980282.db2.gz ZWSXGHFWJUVKDK-UHFFFAOYSA-N 0 2 371.271 2.567 20 5 FFBDLN CN(Cc1nc(-c2cccs2)no1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436818708 513994579 /nfs/dbraw/zinc/99/45/79/513994579.db2.gz BFVOECLXAGHOLF-UHFFFAOYSA-N 0 2 360.351 2.684 20 5 FFBDLN COc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1N1CCCC1=O ZINC000436952198 514048153 /nfs/dbraw/zinc/04/81/53/514048153.db2.gz IFXBJMKNTHCOBY-UHFFFAOYSA-N 0 2 371.349 2.688 20 5 FFBDLN Cc1nn(C)c(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1C(F)F ZINC000414365966 514068647 /nfs/dbraw/zinc/06/86/47/514068647.db2.gz AOMNRGNERDTWRO-UHFFFAOYSA-N 0 2 360.342 2.684 20 5 FFBDLN Cc1cc(S(=O)(=O)Nc2cnc(CC3CC3)nc2)c(C)cc1[N+](=O)[O-] ZINC000414386450 514083649 /nfs/dbraw/zinc/08/36/49/514083649.db2.gz UESGSKIIHXYTDA-UHFFFAOYSA-N 0 2 362.411 2.755 20 5 FFBDLN COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000498109742 514764668 /nfs/dbraw/zinc/76/46/68/514764668.db2.gz FRXITDRGOLRANZ-HNNXBMFYSA-N 0 2 372.377 2.595 20 5 FFBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(NC(N)=O)c2)c1[N+](=O)[O-] ZINC000480218669 514885092 /nfs/dbraw/zinc/88/50/92/514885092.db2.gz CBCXYQPNDUIMMX-UHFFFAOYSA-N 0 2 364.383 2.503 20 5 FFBDLN COc1cc(S(=O)(=O)Nc2cc3[nH]ncc3c(C)c2)ccc1[N+](=O)[O-] ZINC000499289608 515270915 /nfs/dbraw/zinc/27/09/15/515270915.db2.gz ZDWLHJZCVYSJML-UHFFFAOYSA-N 0 2 362.367 2.589 20 5 FFBDLN COC(=O)c1cc(NS(=O)(=O)c2sccc2C)c(C)c([N+](=O)[O-])c1 ZINC000485997495 515291676 /nfs/dbraw/zinc/29/16/76/515291676.db2.gz WLJWHNSDNGPOJC-UHFFFAOYSA-N 0 2 370.408 2.861 20 5 FFBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(OCc3ccncc3)cc2)[nH]1 ZINC000486029100 515304217 /nfs/dbraw/zinc/30/42/17/515304217.db2.gz TXLQFOAPYKPBGL-ZZXKWVIFSA-N 0 2 366.333 2.940 20 5 FFBDLN O=C(Cc1ccc(Br)cc1O)Nc1cc([N+](=O)[O-])ccc1O ZINC000477425475 515452700 /nfs/dbraw/zinc/45/27/00/515452700.db2.gz UUDDTGOYFACGQS-UHFFFAOYSA-N 0 2 367.155 2.950 20 5 FFBDLN COc1cc(S(=O)(=O)Nc2ccc(SC)cn2)ccc1[N+](=O)[O-] ZINC000468953181 515598705 /nfs/dbraw/zinc/59/87/05/515598705.db2.gz KUOPJHISERVEAN-UHFFFAOYSA-N 0 2 355.397 2.521 20 5 FFBDLN CCCc1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)s1 ZINC000493128471 515599506 /nfs/dbraw/zinc/59/95/06/515599506.db2.gz CLNYAKQLOCLZCE-UHFFFAOYSA-N 0 2 356.429 2.816 20 5 FFBDLN O=C(CSc1ccc2c(c1)OCCO2)Nc1cc([N+](=O)[O-])ccc1O ZINC000539970786 516379988 /nfs/dbraw/zinc/37/99/88/516379988.db2.gz OVOZTFSMXGLHSD-UHFFFAOYSA-N 0 2 362.363 2.802 20 5 FFBDLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000535927970 516559724 /nfs/dbraw/zinc/55/97/24/516559724.db2.gz FKEHCUDOENDUIQ-UHFFFAOYSA-N 0 2 361.770 2.836 20 5 FFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cnn(-c3ccccn3)c2)c1C ZINC000532467139 516990909 /nfs/dbraw/zinc/99/09/09/516990909.db2.gz BDHGAQUJACXTRN-UHFFFAOYSA-N 0 2 373.394 2.593 20 5 FFBDLN C[C@H](NC(=O)N=c1ncn(Cc2ccccc2)[nH]1)c1ccccc1[N+](=O)[O-] ZINC000537106716 517037839 /nfs/dbraw/zinc/03/78/39/517037839.db2.gz RGFNNDOVPRQYEV-ZDUSSCGKSA-N 0 2 366.381 2.539 20 5 FFBDLN C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000553646653 517830358 /nfs/dbraw/zinc/83/03/58/517830358.db2.gz WPARQAVOPLKFSD-GFCCVEGCSA-N 0 2 359.357 2.790 20 5 FFBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1noc(-c2ccccc2)n1 ZINC000560591269 517914242 /nfs/dbraw/zinc/91/42/42/517914242.db2.gz INFLQDJTOQQSDP-SNVBAGLBSA-N 0 2 354.322 2.841 20 5 FFBDLN C[C@H]1Oc2cc(F)ccc2[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000553908922 517965205 /nfs/dbraw/zinc/96/52/05/517965205.db2.gz GKNXDLBWNNVIEI-CLAHSXSESA-N 0 2 370.333 2.674 20 5 FFBDLN O=c1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c[nH]1 ZINC000589559059 519030311 /nfs/dbraw/zinc/03/03/11/519030311.db2.gz HGOSZCOQIUTDRN-UHFFFAOYSA-N 0 2 364.166 2.803 20 5 FFBDLN O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000571644379 519200401 /nfs/dbraw/zinc/20/04/01/519200401.db2.gz OJMMWZIHEDBCOR-VIFPVBQESA-N 0 2 350.762 2.697 20 5 FFBDLN COc1ccc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)c(OC)c1 ZINC000590597705 519281803 /nfs/dbraw/zinc/28/18/03/519281803.db2.gz SFLGHSDPQDPNPB-UHFFFAOYSA-N 0 2 370.358 2.860 20 5 FFBDLN Cc1cc2cc(NS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])ccc2[nH]c1=O ZINC000590597570 519282026 /nfs/dbraw/zinc/28/20/26/519282026.db2.gz FCOPLPXTJAZUIT-UHFFFAOYSA-N 0 2 373.390 2.854 20 5 FFBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC(F)(F)c1ccccc1 ZINC000571844421 519304049 /nfs/dbraw/zinc/30/40/49/519304049.db2.gz BEDNKFPFWPUWRK-UHFFFAOYSA-N 0 2 360.313 2.804 20 5 FFBDLN CC(C)(C(=O)N=c1nc(C2(C)CC2)[nH]s1)c1ccc([N+](=O)[O-])cc1F ZINC000600228778 520141417 /nfs/dbraw/zinc/14/14/17/520141417.db2.gz ZVIQVJROMWLOJU-UHFFFAOYSA-N 0 2 364.402 2.975 20 5 FFBDLN COC(=O)c1c(F)cccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000609219357 520235822 /nfs/dbraw/zinc/23/58/22/520235822.db2.gz ZHKOZXDWCGATNH-UHFFFAOYSA-N 0 2 368.342 2.630 20 5 FFBDLN CC(C)(CO)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1cccs1 ZINC000597845533 520276182 /nfs/dbraw/zinc/27/61/82/520276182.db2.gz INTPHZGRBBPCAK-AWEZNQCLSA-N 0 2 350.396 2.852 20 5 FFBDLN COC(=O)c1sc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000609394350 520302113 /nfs/dbraw/zinc/30/21/13/520302113.db2.gz NQDRLWJFIAJTNQ-UHFFFAOYSA-N 0 2 356.381 2.552 20 5 FFBDLN CO[C@@](C)(CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)COCc1ccccc1 ZINC000597990790 520363963 /nfs/dbraw/zinc/36/39/63/520363963.db2.gz RORQZCLZLASUIY-IBGZPJMESA-N 0 2 374.393 2.652 20 5 FFBDLN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N=c1cccn[nH]1 ZINC000609861257 520460343 /nfs/dbraw/zinc/46/03/43/520460343.db2.gz UWNUSPWFVRRHRQ-UHFFFAOYSA-N 0 2 358.301 2.556 20 5 FFBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000598198276 520489256 /nfs/dbraw/zinc/48/92/56/520489256.db2.gz ANOQABJZZSLWCM-GOEBONIOSA-N 0 2 356.378 2.539 20 5 FFBDLN CC(C)(C)OC(=O)C1(C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000592878591 520629102 /nfs/dbraw/zinc/62/91/02/520629102.db2.gz YQHDGCWRTGGTAM-UHFFFAOYSA-N 0 2 364.398 2.884 20 5 FFBDLN CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000592937146 520651031 /nfs/dbraw/zinc/65/10/31/520651031.db2.gz INVDYNJKBNJERX-MNOVXSKESA-N 0 2 350.371 2.541 20 5 FFBDLN O=C(N[C@H]1CCN(c2ccc(F)cc2F)C1)c1ccc([N+](=O)[O-])cc1O ZINC000613942112 520735605 /nfs/dbraw/zinc/73/56/05/520735605.db2.gz MFELAAXMBHYZIP-NSHDSACASA-N 0 2 363.320 2.587 20 5 FFBDLN O=C(N[C@H](Cn1cccn1)c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000613972482 520746832 /nfs/dbraw/zinc/74/68/32/520746832.db2.gz MQQOIZRGBUPKLQ-MRXNPFEDSA-N 0 2 352.350 2.668 20 5 FFBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000595883725 520791330 /nfs/dbraw/zinc/79/13/30/520791330.db2.gz CTCSSAAMISYOET-HNNXBMFYSA-N 0 2 369.377 2.526 20 5 FFBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000595883725 520791334 /nfs/dbraw/zinc/79/13/34/520791334.db2.gz CTCSSAAMISYOET-HNNXBMFYSA-N 0 2 369.377 2.526 20 5 FFBDLN COC(=O)C(C)(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000610861302 520878069 /nfs/dbraw/zinc/87/80/69/520878069.db2.gz ZGHIDSPGEOILRS-INIZCTEOSA-N 0 2 372.377 2.971 20 5 FFBDLN O=[N+]([O-])c1ccc(-c2nc(Cc3ccc4c(c3)OCCO4)no2)cc1O ZINC000618398657 521051780 /nfs/dbraw/zinc/05/17/80/521051780.db2.gz BZZAMQOGMSIWEX-UHFFFAOYSA-N 0 2 355.306 2.712 20 5 FFBDLN Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC2 ZINC000599735306 521438533 /nfs/dbraw/zinc/43/85/33/521438533.db2.gz JJMMFYKBIJSCJF-VIFPVBQESA-N 0 2 350.762 2.660 20 5 FFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2cccnc21 ZINC000619466492 521582155 /nfs/dbraw/zinc/58/21/55/521582155.db2.gz QEYYJPNMXVOWJJ-UHFFFAOYSA-N 0 2 359.363 2.952 20 5 FFBDLN COc1ncc(C)cc1NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000132435477 728724568 /nfs/dbraw/zinc/72/45/68/728724568.db2.gz KPCCBQVUURCRRB-UHFFFAOYSA-N 0 2 355.347 2.555 20 5 FFBDLN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)Nc2cccc(O)c2)c1 ZINC000134606887 728731338 /nfs/dbraw/zinc/73/13/38/728731338.db2.gz VYYSFTSFQGVSKR-UHFFFAOYSA-N 0 2 373.184 2.864 20 5 FFBDLN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)n1 ZINC000756697762 736352910 /nfs/dbraw/zinc/35/29/10/736352910.db2.gz TYWAFQHGSLQUNB-UHFFFAOYSA-N 0 2 362.346 2.721 20 5 FFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccnn2-c2cccc(F)c2)cs1 ZINC000769849555 737573554 /nfs/dbraw/zinc/57/35/54/737573554.db2.gz MECCYTVSQCTTSF-UHFFFAOYSA-N 0 2 368.371 2.782 20 5 FFBDLN CC(=O)c1ccc(O)c(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000777745542 738317632 /nfs/dbraw/zinc/31/76/32/738317632.db2.gz ZRQIKRYTPSOHSD-UHFFFAOYSA-N 0 2 370.770 2.957 20 5 FFBDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000786766381 739075380 /nfs/dbraw/zinc/07/53/80/739075380.db2.gz PSYNBFSWGBBQKW-SKDRFNHKSA-N 0 2 362.304 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GRQKREGXPDQMPO-UHFFFAOYSA-N 0 2 366.182 2.677 20 5 FFBDLN Cc1cc(OCC(=O)C2(NC(=O)C(F)(F)F)CCCC2)ccc1[N+](=O)[O-] ZINC000828779043 1032834917 /nfs/dbraw/zinc/83/49/17/1032834917.db2.gz MYAAMVMQFSDNHL-UHFFFAOYSA-N 0 2 374.315 2.842 20 5 FFBDLN Cc1ccc(OCC(=O)C2(NC(=O)C(F)(F)F)CCCC2)c([N+](=O)[O-])c1 ZINC000828808055 1032847980 /nfs/dbraw/zinc/84/79/80/1032847980.db2.gz DYVNDOQFAZPZKR-UHFFFAOYSA-N 0 2 374.315 2.842 20 5 FFBDLN Cc1cc([N+](=O)[O-])ccc1OCC(=O)C1(NC(=O)C(F)(F)F)CCCC1 ZINC000829376866 1033128399 /nfs/dbraw/zinc/12/83/99/1033128399.db2.gz NGXRDAFTTGRKOL-UHFFFAOYSA-N 0 2 374.315 2.842 20 5 FFBDLN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 ZINC000779406010 1023787534 /nfs/dbraw/zinc/78/75/34/1023787534.db2.gz WRNBWACJOLAAHG-LLVKDONJSA-N 0 2 365.386 2.886 20 5 FFBDLN C[C@@H]1CC(F)(F)CCN1c1nnc(-c2ccc(O)c([N+](=O)[O-])c2)n1C ZINC001121497093 1023811669 /nfs/dbraw/zinc/81/16/69/1023811669.db2.gz DHIJDALGQAXPLI-SECBINFHSA-N 0 2 353.329 2.720 20 5 FFBDLN O=C(Nc1ccccc1)[C@H]1CCc2ccccc2N1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841100876 1030037904 /nfs/dbraw/zinc/03/79/04/1030037904.db2.gz MYKQNHXBPZMWOE-KBAYOESNSA-N 0 2 365.389 2.638 20 5 FFBDLN O=C(Nc1ccccc1)[C@@H]1CCc2ccccc2N1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841100875 1030038065 /nfs/dbraw/zinc/03/80/65/1030038065.db2.gz MYKQNHXBPZMWOE-BPQIPLTHSA-N 0 2 365.389 2.638 20 5 FFBDLN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc2c(c1)OCO2 ZINC001142479963 1030508143 /nfs/dbraw/zinc/50/81/43/1030508143.db2.gz ZOUJSAJWRJMJFP-UHFFFAOYSA-N 0 2 358.350 2.737 20 5 FFBDLN CSc1nc(O[C@H](CC(C)C)C(=O)OC(C)C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227624957 1035645066 /nfs/dbraw/zinc/64/50/66/1035645066.db2.gz KXQGRSOKONXNOC-SECBINFHSA-N 0 2 359.404 2.557 20 5 FFBDLN COC(=O)[C@@H]1CCC[C@@H]1Oc1[nH]c(=O)nc2nc3cc(C)c(C)cc3nc21 ZINC001228685835 1036258174 /nfs/dbraw/zinc/25/81/74/1036258174.db2.gz ITQNPOBFTGZXFU-RISCZKNCSA-N 0 2 368.393 2.616 20 5 FFBDLN C[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001228972517 1036441538 /nfs/dbraw/zinc/44/15/38/1036441538.db2.gz XGSZJRCUFOYCSB-ZETCQYMHSA-N 0 2 364.266 2.783 20 5 FFBDLN O=c1ccoc2cc(O)cc(O[C@H](C[N+](=O)[O-])c3ccc4c(c3)OCO4)c12 ZINC001233832696 1036779401 /nfs/dbraw/zinc/77/94/01/1036779401.db2.gz FAADFSXHDAFHMS-QGZVFWFLSA-N 0 2 371.301 2.624 20 5 FFBDLN COC(=O)c1cnc(O[C@H](C(=O)c2ccco2)c2ccco2)c([N+](=O)[O-])c1 ZINC001233862862 1036793159 /nfs/dbraw/zinc/79/31/59/1036793159.db2.gz SXPMDZHMQSQSGB-HNNXBMFYSA-N 0 2 372.289 2.965 20 5 FFBDLN COC(=O)c1cccc(OCc2ccccc2)c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000847166427 1055169372 /nfs/dbraw/zinc/16/93/72/1055169372.db2.gz ZEOZLNJVQHQYAO-HUUCEWRRSA-N 0 2 370.361 2.656 20 5 FFBDLN CCn1c(-c2ccc(O)c([N+](=O)[O-])c2)nnc1N(C)CC1=CCSC1 ZINC001356572921 1055590117 /nfs/dbraw/zinc/59/01/17/1055590117.db2.gz AGTXLUJOGFSRRS-UHFFFAOYSA-N 0 2 361.427 2.688 20 5 FFBDLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001467897934 1063878299 /nfs/dbraw/zinc/87/82/99/1063878299.db2.gz ARARKMXMAKAOFA-GJZGRUSLSA-N 0 2 365.349 2.828 20 5 FFBDLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001467897937 1063879082 /nfs/dbraw/zinc/87/90/82/1063879082.db2.gz ARARKMXMAKAOFA-HUUCEWRRSA-N 0 2 365.349 2.828 20 5 FFBDLN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1nccs1 ZINC000038039565 205039176 /nfs/dbraw/zinc/03/91/76/205039176.db2.gz WWZFXSQTNOBWJN-UHFFFAOYSA-N 0 2 364.202 2.615 20 5 FFBDLN CC[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000104759694 250186111 /nfs/dbraw/zinc/18/61/11/250186111.db2.gz LUFFSLOLSJTFGH-JTQLQIEISA-N 0 2 359.404 2.928 20 5 FFBDLN CC(C)(NC(=O)C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000277468192 256201014 /nfs/dbraw/zinc/20/10/14/256201014.db2.gz MEXKWSAXAQIEHE-UHFFFAOYSA-N 0 2 370.287 2.539 20 5 FFBDLN COCCCOc1ccc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000285812606 257006238 /nfs/dbraw/zinc/00/62/38/257006238.db2.gz FLTYHWIJNIJDIB-UHFFFAOYSA-N 0 2 360.366 2.646 20 5 FFBDLN COc1cccc(N2CCC[C@H](NC(=O)c3cccc(O)c3[N+](=O)[O-])C2)c1 ZINC000280847822 256574859 /nfs/dbraw/zinc/57/48/59/256574859.db2.gz VTCCEMXXLBUWAM-ZDUSSCGKSA-N 0 2 371.393 2.708 20 5 FFBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c(C)nn(C)c1Cl ZINC000290520718 257338437 /nfs/dbraw/zinc/33/84/37/257338437.db2.gz MTXJBTMTAVOTHQ-UHFFFAOYSA-N 0 2 358.807 2.653 20 5 FFBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000290499732 257336154 /nfs/dbraw/zinc/33/61/54/257336154.db2.gz KGNXRTYIHYKNSR-UHFFFAOYSA-N 0 2 357.395 2.910 20 5 FFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000291143157 257386720 /nfs/dbraw/zinc/38/67/20/257386720.db2.gz HTRNZMNXNNTQRC-HXUWFJFHSA-N 0 2 370.405 2.758 20 5 FFBDLN Cc1ccc(N2CCC[C@H](NC(=O)c3cc(O)ccc3[N+](=O)[O-])C2=O)cc1 ZINC000366832758 512207076 /nfs/dbraw/zinc/20/70/76/512207076.db2.gz UCOGPNZDWNYYCY-INIZCTEOSA-N 0 2 369.377 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CCCc1nnc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])s1 ZINC000152346270 508428884 /nfs/dbraw/zinc/42/88/84/508428884.db2.gz QWSPPZDBPNPNKG-UHFFFAOYSA-N 0 2 356.429 2.816 20 5 FFBDLN Cc1c(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000135681793 508640654 /nfs/dbraw/zinc/64/06/54/508640654.db2.gz YQTCKAZEMDGQQE-UHFFFAOYSA-N 0 2 372.406 2.949 20 5 FFBDLN Cc1nc(-c2ccc(NS(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])cc2)n[nH]1 ZINC000158718813 508744113 /nfs/dbraw/zinc/74/41/13/508744113.db2.gz DWEKWHLBSJRUMS-UHFFFAOYSA-N 0 2 373.394 2.798 20 5 FFBDLN Cc1ccc(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])cc2O)c(Cl)c1 ZINC000159337880 508827324 /nfs/dbraw/zinc/82/73/24/508827324.db2.gz JGGYQTUVMCSRPH-UHFFFAOYSA-N 0 2 363.757 2.631 20 5 FFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H](c1ccccc1)N1CCCCC1=O ZINC000124949795 508909367 /nfs/dbraw/zinc/90/93/67/508909367.db2.gz YGSFWYIUPYRDCO-SFHVURJKSA-N 0 2 369.377 2.993 20 5 FFBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cnc2c(c1)COCC2 ZINC000371486982 512429856 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1042147279 /nfs/dbraw/zinc/14/72/79/1042147279.db2.gz AOXCULWLZDICAT-UHFFFAOYSA-N 0 2 358.310 2.738 20 5 FFBDLN C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1O)N(C)C(=O)OC(C)(C)C ZINC001320380565 1045399597 /nfs/dbraw/zinc/39/95/97/1045399597.db2.gz JCOZQUVBCUJWMF-NSHDSACASA-N 0 2 367.402 2.676 20 5 FFBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Br)c(O)c2)c1 ZINC001339903110 1050320229 /nfs/dbraw/zinc/32/02/29/1050320229.db2.gz RUQXOVVXLPBBEL-UHFFFAOYSA-N 0 2 373.184 2.864 20 5 FFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCc2[nH]cnc2[C@H]1c1ccccc1 ZINC001302295217 1051075594 /nfs/dbraw/zinc/07/55/94/1051075594.db2.gz JHYDYROJWGOYMD-GOSISDBHSA-N 0 2 364.361 2.811 20 5 FFBDLN CCc1ccc([C@H](COC)NS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])o1 ZINC001463134253 1061953992 /nfs/dbraw/zinc/95/39/92/1061953992.db2.gz YBCNWUVEPDSLHC-NSHDSACASA-N 0 2 374.440 2.786 20 5 FFBDLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001467897932 1063878560 /nfs/dbraw/zinc/87/85/60/1063878560.db2.gz ARARKMXMAKAOFA-CABCVRRESA-N 0 2 365.349 2.828 20 5 FFBDLN CC(C)Oc1cc(C(=O)Nc2nc(-c3ccncc3)n[nH]2)ccc1[N+](=O)[O-] ZINC001584090539 1079305747 /nfs/dbraw/zinc/30/57/47/1079305747.db2.gz QGWGVPCGRJNYMM-UHFFFAOYSA-N 0 2 368.353 2.814 20 5 FFBDLN CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)C(=O)OC(C)(C)C ZINC001557237534 1075825665 /nfs/dbraw/zinc/82/56/65/1075825665.db2.gz BJGQJDRFTFAYPZ-ZDUSSCGKSA-N 0 2 352.387 2.644 20 5 FFBDLN CCNC(=O)c1ccc(OC(=O)c2cc(Cl)cc([N+](=O)[O-])c2O)cc1 ZINC001565751090 1076760869 /nfs/dbraw/zinc/76/08/69/1076760869.db2.gz VEYMDKSZDCHXFR-UHFFFAOYSA-N 0 2 364.741 2.923 20 5 FFBDLN Cc1nc(-c2cccc(NS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])c2)n[nH]1 ZINC000108928818 209293933 /nfs/dbraw/zinc/29/39/33/209293933.db2.gz JEOPKYZCTYQZGV-UHFFFAOYSA-N 0 2 373.394 2.798 20 5 FFBDLN Cn1cc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c2ccc(F)cc2)cn1 ZINC000186795324 251264675 /nfs/dbraw/zinc/26/46/75/251264675.db2.gz OWUQSCYUGWLGPB-KRWDZBQOSA-N 0 2 370.340 2.692 20 5 FFBDLN CCCCc1nnc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000267716954 251358073 /nfs/dbraw/zinc/35/80/73/251358073.db2.gz WNLRMAKOVCOBJX-UHFFFAOYSA-N 0 2 372.428 2.598 20 5 FFBDLN CC(=O)c1csc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000106917325 507828822 /nfs/dbraw/zinc/82/88/22/507828822.db2.gz JTDRBDGGMDYXDS-UHFFFAOYSA-N 0 2 357.351 2.896 20 5 FFBDLN CCc1nc([C@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cs1 ZINC000111363306 508094063 /nfs/dbraw/zinc/09/40/63/508094063.db2.gz GKYBEAFMUWPYNX-QMMMGPOBSA-N 0 2 359.404 2.792 20 5 FFBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000093930880 508161975 /nfs/dbraw/zinc/16/19/75/508161975.db2.gz OVBPOAYOKJHKMS-UHFFFAOYSA-N 0 2 358.322 2.820 20 5 FFBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccnc1OC(C)C ZINC000121813065 508423514 /nfs/dbraw/zinc/42/35/14/508423514.db2.gz PUXYWENBFZLGEP-UHFFFAOYSA-N 0 2 351.384 2.886 20 5 FFBDLN Cc1c(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000135686942 508640082 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FFBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2cn[nH]c2)c1 ZINC000121095525 509126853 /nfs/dbraw/zinc/12/68/53/509126853.db2.gz VEDATWLBRNAVRO-UHFFFAOYSA-N 0 2 374.378 2.794 20 5 FFBDLN COc1cc(S(=O)(=O)Nc2cc(CC(C)(C)C)n[nH]2)ccc1[N+](=O)[O-] ZINC000126786978 509128310 /nfs/dbraw/zinc/12/83/10/509128310.db2.gz PCMDUQDFDVPLEF-UHFFFAOYSA-N 0 2 368.415 2.716 20 5 FFBDLN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1nc(-c2ccccc2)no1 ZINC000185764151 509343542 /nfs/dbraw/zinc/34/35/42/509343542.db2.gz XWEJXSVMAWHBPG-LLVKDONJSA-N 0 2 368.349 2.884 20 5 FFBDLN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000182841740 509455378 /nfs/dbraw/zinc/45/53/78/509455378.db2.gz GJFBJEXQTNETJC-SJORKVTESA-N 0 2 374.485 2.593 20 5 FFBDLN CC1CCN(c2ccc(CNC(=O)c3ccc([O-])c([N+](=O)[O-])c3)c[nH+]2)CC1 ZINC000164243378 509480918 /nfs/dbraw/zinc/48/09/18/509480918.db2.gz WCFRDHCQAWMNCT-UHFFFAOYSA-N 0 2 370.409 2.862 20 5 FFBDLN CCc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)nc(C)n1 ZINC000186118249 509531294 /nfs/dbraw/zinc/53/12/94/509531294.db2.gz FIHBWGKDBPBMRK-UHFFFAOYSA-N 0 2 350.400 2.619 20 5 FFBDLN CC(C)(NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cn(-c2ccccc2)nn1 ZINC000180147625 509777890 /nfs/dbraw/zinc/77/78/90/509777890.db2.gz OZBFCHHLGZYBAV-UHFFFAOYSA-N 0 2 367.365 2.546 20 5 FFBDLN O=C(CCc1nnc(-c2ccsc2)o1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183897839 510028225 /nfs/dbraw/zinc/02/82/25/510028225.db2.gz XJGHYQDGOOQFMR-UHFFFAOYSA-N 0 2 360.351 2.983 20 5 FFBDLN C[C@@H](C1CC1)n1nccc1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000171341771 510092965 /nfs/dbraw/zinc/09/29/65/510092965.db2.gz CRKLCWLXOPZGFR-VIFPVBQESA-N 0 2 354.363 2.702 20 5 FFBDLN Cc1nc(-c2ncccn2)sc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000180763993 510097019 /nfs/dbraw/zinc/09/70/19/510097019.db2.gz MIEQDSOGJIJPNL-UHFFFAOYSA-N 0 2 357.351 2.775 20 5 FFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnn(CC3CC3)c2)c1C ZINC000174769433 510301320 /nfs/dbraw/zinc/30/13/20/510301320.db2.gz UXCAZJJXRJHOCL-UHFFFAOYSA-N 0 2 350.400 2.619 20 5 FFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2ccn(C)c21 ZINC000190851771 510373063 /nfs/dbraw/zinc/37/30/63/510373063.db2.gz ZNZUQIPVGYXYAZ-UHFFFAOYSA-N 0 2 361.379 2.896 20 5 FFBDLN CCCC(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000184663268 510447682 /nfs/dbraw/zinc/44/76/82/510447682.db2.gz GYPKDFFHWXGRPD-UHFFFAOYSA-N 0 2 357.366 2.969 20 5 FFBDLN Cc1csc([C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C2CC2)n1 ZINC000266230738 510472432 /nfs/dbraw/zinc/47/24/32/510472432.db2.gz UJFBVJVDSBLQLU-LBPRGKRZSA-N 0 2 371.415 2.928 20 5 FFBDLN CC(C)c1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 ZINC000266318133 510515245 /nfs/dbraw/zinc/51/52/45/510515245.db2.gz GTUBFILDQRPAJC-UHFFFAOYSA-N 0 2 372.384 2.884 20 5 FFBDLN COCCCOc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000269857056 510572071 /nfs/dbraw/zinc/57/20/71/510572071.db2.gz PXZHIVMZCGVWPR-UHFFFAOYSA-N 0 2 360.366 2.646 20 5 FFBDLN CCCc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000271012558 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/nfs/dbraw/zinc/94/87/04/513948704.db2.gz FCJWZUDFGIJDSJ-UHFFFAOYSA-N 0 2 354.322 2.747 20 5 FFBDLN CC(C)(C)c1nc(=NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)s[nH]1 ZINC000448891454 513956345 /nfs/dbraw/zinc/95/63/45/513956345.db2.gz SJEGLASONLBSAH-UHFFFAOYSA-N 0 2 372.410 2.808 20 5 FFBDLN O=C(Nc1ccc(F)c(N2CCCNC2=O)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436745056 513965247 /nfs/dbraw/zinc/96/52/47/513965247.db2.gz RWFMLGWBUYHSLJ-UHFFFAOYSA-N 0 2 374.328 2.612 20 5 FFBDLN CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1c(F)cccc1F ZINC000436869820 514016064 /nfs/dbraw/zinc/01/60/64/514016064.db2.gz FHEPKFZPIZTKIK-CQSZACIVSA-N 0 2 365.336 2.611 20 5 FFBDLN Cc1noc(C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)c2ccccc2)n1 ZINC000436883179 514019534 /nfs/dbraw/zinc/01/95/34/514019534.db2.gz ZZZRTAVREKJUKN-HNNXBMFYSA-N 0 2 368.349 2.706 20 5 FFBDLN C[C@@H]1CN(c2ccnc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c2)C[C@H](C)O1 ZINC000436890250 514022481 /nfs/dbraw/zinc/02/24/81/514022481.db2.gz SUKBNIHARYLAFX-TXEJJXNPSA-N 0 2 372.381 2.561 20 5 FFBDLN CCc1ccccc1NC(=O)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436955731 514048995 /nfs/dbraw/zinc/04/89/95/514048995.db2.gz MDFHSHMYMLXDBS-UHFFFAOYSA-N 0 2 357.366 2.574 20 5 FFBDLN CCOC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)Cc2ccccc21 ZINC000436959058 514050515 /nfs/dbraw/zinc/05/05/15/514050515.db2.gz LNTVHEIJQFFJDR-MRXNPFEDSA-N 0 2 370.361 2.603 20 5 FFBDLN Cc1nn(C)c(C)c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(F)(F)F ZINC000436978132 514060581 /nfs/dbraw/zinc/06/05/81/514060581.db2.gz GMZSAILGPKQCFD-CYBMUJFWSA-N 0 2 372.303 2.684 20 5 FFBDLN Cc1nn(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c1C(F)F ZINC000414366324 514068185 /nfs/dbraw/zinc/06/81/85/514068185.db2.gz BDUJSEWUUWLOHG-UHFFFAOYSA-N 0 2 360.342 2.684 20 5 FFBDLN O=C(Nc1cccc(N2C(=O)CCCC2=O)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000437001182 514071421 /nfs/dbraw/zinc/07/14/21/514071421.db2.gz OCXWLNSXEVMBQZ-UHFFFAOYSA-N 0 2 369.333 2.596 20 5 FFBDLN Cc1nn(C)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)c1C(F)F 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364.427 2.970 20 5 FFBDLN CCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(=O)OC(C)(C)C ZINC000462752627 515225191 /nfs/dbraw/zinc/22/51/91/515225191.db2.gz DVDGPGCOOSVLQT-LBPRGKRZSA-N 0 2 352.387 2.931 20 5 FFBDLN Cc1c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cnn1CC(C)C ZINC000499292509 515271719 /nfs/dbraw/zinc/27/17/19/515271719.db2.gz UEFVEGGEMNWCGB-UHFFFAOYSA-N 0 2 352.416 2.865 20 5 FFBDLN COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000504909092 515406406 /nfs/dbraw/zinc/40/64/06/515406406.db2.gz OZSIFDATOPXRGI-NSHDSACASA-N 0 2 358.350 2.904 20 5 FFBDLN O=[N+]([O-])c1ccc(Nc2ccccc2)c(NS(=O)(=O)c2cn[nH]c2)c1 ZINC000511248626 515842304 /nfs/dbraw/zinc/84/23/04/515842304.db2.gz FYSHILPUFKUSCM-UHFFFAOYSA-N 0 2 359.367 2.862 20 5 FFBDLN CCc1ccc(S(=O)(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000469740940 515944512 /nfs/dbraw/zinc/94/45/12/515944512.db2.gz GIBSTVLSPXKTHJ-UHFFFAOYSA-N 0 2 357.391 2.928 20 5 FFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000483192237 515977043 /nfs/dbraw/zinc/97/70/43/515977043.db2.gz HEGUHYULAPZSJZ-UHFFFAOYSA-N 0 2 364.361 2.685 20 5 FFBDLN COc1ccc(S(=O)(=O)Nc2cc3c[nH]nc3cc2C)c([N+](=O)[O-])c1 ZINC000479135040 516071825 /nfs/dbraw/zinc/07/18/25/516071825.db2.gz PAFLFFHUISVDIN-UHFFFAOYSA-N 0 2 362.367 2.589 20 5 FFBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 ZINC000488047618 516095035 /nfs/dbraw/zinc/09/50/35/516095035.db2.gz MCIKMPDKLQKQPZ-GFCCVEGCSA-N 0 2 369.377 2.918 20 5 FFBDLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000496395989 516257319 /nfs/dbraw/zinc/25/73/19/516257319.db2.gz RZKCSDVEDQRQLY-UHFFFAOYSA-N 0 2 371.284 2.500 20 5 FFBDLN COc1cc2c(cc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-])O[C@H](C)C2 ZINC000502086821 516301407 /nfs/dbraw/zinc/30/14/07/516301407.db2.gz DQWQTIZVAHVACV-SNVBAGLBSA-N 0 2 358.350 2.562 20 5 FFBDLN C[C@@H]1Sc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2NC1=O ZINC000535515397 516382664 /nfs/dbraw/zinc/38/26/64/516382664.db2.gz CVNNEQVFBPKERI-QMMMGPOBSA-N 0 2 359.363 2.985 20 5 FFBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCN(c2cc(F)ccc2F)CC1 ZINC000561409206 516567155 /nfs/dbraw/zinc/56/71/55/516567155.db2.gz YAQVDRZYWZHNDR-UHFFFAOYSA-N 0 2 363.320 2.541 20 5 FFBDLN Cc1c[nH]c(=O)n1-c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000524230373 516674196 /nfs/dbraw/zinc/67/41/96/516674196.db2.gz OORGPOYPGIFKBT-UHFFFAOYSA-N 0 2 374.378 2.595 20 5 FFBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc2nsnc2c1 ZINC000544324536 516701577 /nfs/dbraw/zinc/70/15/77/516701577.db2.gz TZXFJXQFFUDADN-UHFFFAOYSA-N 0 2 367.350 2.637 20 5 FFBDLN C[C@@H](NC(=O)N=c1ncn(C2CCCCC2)[nH]1)c1ccccc1[N+](=O)[O-] ZINC000544629501 516842968 /nfs/dbraw/zinc/84/29/68/516842968.db2.gz RFGKPKIZMONFCW-GFCCVEGCSA-N 0 2 358.402 2.996 20 5 FFBDLN O=C(NCc1cc(Cl)c2c(c1)OCCO2)c1ccc([N+](=O)[O-])c(O)c1 ZINC000518993838 516846417 /nfs/dbraw/zinc/84/64/17/516846417.db2.gz FGLVBIMPOBDBEX-UHFFFAOYSA-N 0 2 364.741 2.655 20 5 FFBDLN COc1cc(NC(=O)c2cccc(O)c2[N+](=O)[O-])ccc1N1CCCC1=O ZINC000536864531 516957448 /nfs/dbraw/zinc/95/74/48/516957448.db2.gz USYIGIODPWLEBG-UHFFFAOYSA-N 0 2 371.349 2.688 20 5 FFBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC(OCCCOc2ccccc2)C1 ZINC000552053206 517053243 /nfs/dbraw/zinc/05/32/43/517053243.db2.gz XRKODEIWRPDDAX-UHFFFAOYSA-N 0 2 372.377 2.611 20 5 FFBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000537242041 517105123 /nfs/dbraw/zinc/10/51/23/517105123.db2.gz PTWZGLFCNQFACA-UHFFFAOYSA-N 0 2 361.785 2.916 20 5 FFBDLN Cc1ccc(Cn2nccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000555943586 517198804 /nfs/dbraw/zinc/19/88/04/517198804.db2.gz QRFZSICORLUACI-UHFFFAOYSA-N 0 2 372.406 2.949 20 5 FFBDLN O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000515189199 517245188 /nfs/dbraw/zinc/24/51/88/517245188.db2.gz DPZOYRMAGOQWAE-HDJSIYSDSA-N 0 2 356.382 2.849 20 5 FFBDLN O=C(N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000537599221 517251106 /nfs/dbraw/zinc/25/11/06/517251106.db2.gz HZKCCTVUVBKBQV-GFCCVEGCSA-N 0 2 370.283 2.783 20 5 FFBDLN COc1ccc(Cl)cc1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000521156284 517631387 /nfs/dbraw/zinc/63/13/87/517631387.db2.gz YSFNWOVUJIOYTA-UHFFFAOYSA-N 0 2 374.777 2.874 20 5 FFBDLN CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000556926983 517752770 /nfs/dbraw/zinc/75/27/70/517752770.db2.gz JEZMHLBEEBITNJ-LBPRGKRZSA-N 0 2 364.398 2.884 20 5 FFBDLN COc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000542930577 517821574 /nfs/dbraw/zinc/82/15/74/517821574.db2.gz QUMUDUYNZXAETQ-UHFFFAOYSA-N 0 2 374.378 2.590 20 5 FFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000557196579 517913409 /nfs/dbraw/zinc/91/34/09/517913409.db2.gz UXTSYQVLFPLHIR-GJZGRUSLSA-N 0 2 353.378 2.509 20 5 FFBDLN Cc1ccccc1-c1nc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])no1 ZINC000560610135 517928700 /nfs/dbraw/zinc/92/87/00/517928700.db2.gz RHLZFIMICGUENG-UHFFFAOYSA-N 0 2 354.322 2.589 20 5 FFBDLN C[C@](O)(CSc1cccc(F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000560621597 517936937 /nfs/dbraw/zinc/93/69/37/517936937.db2.gz WVMPXBCQDQBXQI-INIZCTEOSA-N 0 2 366.370 2.921 20 5 FFBDLN CC(C)(C)OC(=O)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000534839088 518054941 /nfs/dbraw/zinc/05/49/41/518054941.db2.gz BXXDAOXRFFCYDD-ZDUSSCGKSA-N 0 2 350.371 2.637 20 5 FFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000569697335 518247113 /nfs/dbraw/zinc/24/71/13/518247113.db2.gz NQQMGOHYIYHMOF-SFHVURJKSA-N 0 2 371.393 2.778 20 5 FFBDLN CN1Cc2cccc(NS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2C1 ZINC000585723493 518574948 /nfs/dbraw/zinc/57/49/48/518574948.db2.gz VWMGCBZNXLNBQX-UHFFFAOYSA-N 0 2 367.814 2.994 20 5 FFBDLN O=C([O-])C1([N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C2CC2)CCC1 ZINC000565250779 518864183 /nfs/dbraw/zinc/86/41/83/518864183.db2.gz PPWXQAAFUNKRPG-UHFFFAOYSA-N 0 2 358.354 2.617 20 5 FFBDLN O=C([O-])C1([N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C2CC2)CCC1 ZINC000565250779 518864188 /nfs/dbraw/zinc/86/41/88/518864188.db2.gz PPWXQAAFUNKRPG-UHFFFAOYSA-N 0 2 358.354 2.617 20 5 FFBDLN CC[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)OCCc2ccccc21 ZINC000574246950 519058591 /nfs/dbraw/zinc/05/85/91/519058591.db2.gz UUWGUGIRQMGMDF-IBGZPJMESA-N 0 2 356.378 2.908 20 5 FFBDLN C[C@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC000577518290 519121558 /nfs/dbraw/zinc/12/15/58/519121558.db2.gz WLEKAFTVABDZJE-AAEUAGOBSA-N 0 2 364.398 2.740 20 5 FFBDLN Cc1cc(S(=O)(=O)Nc2cccc([S@@](C)=O)c2)c(F)cc1[N+](=O)[O-] ZINC000590598270 519281968 /nfs/dbraw/zinc/28/19/68/519281968.db2.gz WGOWCLSIOJOFCU-HSZRJFAPSA-N 0 2 372.399 2.581 20 5 FFBDLN Cn1cc[nH+]c1[C@H]1N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1(C)C ZINC000566281190 519410178 /nfs/dbraw/zinc/41/01/78/519410178.db2.gz ZJNJCLKPGHRSTD-CYBMUJFWSA-N 0 2 364.789 2.911 20 5 FFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1c(C)cc(C)nc1C ZINC000591260792 519564010 /nfs/dbraw/zinc/56/40/10/519564010.db2.gz 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/nfs/dbraw/zinc/14/96/02/515149602.db2.gz VDLFJZAVUVYYLT-LBPRGKRZSA-N 0 2 370.406 2.514 20 5 FFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2c(c1)CCCO2 ZINC000509593877 515249743 /nfs/dbraw/zinc/24/97/43/515249743.db2.gz YGNPZYXXZJRLNU-UHFFFAOYSA-N 0 2 364.379 2.729 20 5 FFBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000499528830 515358950 /nfs/dbraw/zinc/35/89/50/515358950.db2.gz KWPYWWRCQOLLFU-LBPRGKRZSA-N 0 2 352.350 2.977 20 5 FFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc([C@H]3CCCO3)[nH]n2)c1C ZINC000481857525 515490732 /nfs/dbraw/zinc/49/07/32/515490732.db2.gz RNLMYDHNRWKSLA-CYBMUJFWSA-N 0 2 366.399 2.587 20 5 FFBDLN CC1(C)CCc2nc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])ncc2C1 ZINC000486580660 515548966 /nfs/dbraw/zinc/54/89/66/515548966.db2.gz JOFROPLXZBQWMD-UHFFFAOYSA-N 0 2 362.411 2.701 20 5 FFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2O)c2ncccc21 ZINC000463780761 515613527 /nfs/dbraw/zinc/61/35/27/515613527.db2.gz ZAUOCWJITMFFAK-UHFFFAOYSA-N 0 2 363.326 2.789 20 5 FFBDLN Cc1ccc2[nH+]c(CN=c3[n-]c(-c4ccc([N+](=O)[O-])cc4)no3)cn2c1 ZINC000486956833 515696931 /nfs/dbraw/zinc/69/69/31/515696931.db2.gz ODXIJFVZAUMUJD-UHFFFAOYSA-N 0 2 350.338 2.635 20 5 FFBDLN COC(=O)c1cc(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cs1 ZINC000473770914 515747537 /nfs/dbraw/zinc/74/75/37/515747537.db2.gz AHCNVTYQZYFWKI-UHFFFAOYSA-N 0 2 370.408 2.861 20 5 FFBDLN O=C(NCCc1nc(C(F)(F)F)cs1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469717421 515933675 /nfs/dbraw/zinc/93/36/75/515933675.db2.gz ZDQRUVIQBPUZDJ-UHFFFAOYSA-N 0 2 361.301 2.748 20 5 FFBDLN CN(C)C(=O)c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1Cl ZINC000506787956 515986489 /nfs/dbraw/zinc/98/64/89/515986489.db2.gz COOIAYVJXUAFHZ-UHFFFAOYSA-N 0 2 363.757 2.908 20 5 FFBDLN COC(=O)c1cccc(OCc2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)c1 ZINC000478972340 516023027 /nfs/dbraw/zinc/02/30/27/516023027.db2.gz NDRFLRUPYFWYJK-UHFFFAOYSA-N 0 2 371.305 2.716 20 5 FFBDLN COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OC)c(F)c1 ZINC000479137949 516074063 /nfs/dbraw/zinc/07/40/63/516074063.db2.gz XLWUNYWALODCQP-UHFFFAOYSA-N 0 2 356.331 2.552 20 5 FFBDLN COc1ccc(C(=O)C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1Cl ZINC000483439484 516091316 /nfs/dbraw/zinc/09/13/16/516091316.db2.gz DVXFGDVIIWJNEF-UHFFFAOYSA-N 0 2 350.714 2.784 20 5 FFBDLN COC(=O)c1csc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000501799231 516227611 /nfs/dbraw/zinc/22/76/11/516227611.db2.gz RMMQEEFIGDTFST-UHFFFAOYSA-N 0 2 356.381 2.552 20 5 FFBDLN Cc1cc(=NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[nH]nc1C ZINC000488492266 516238645 /nfs/dbraw/zinc/23/86/45/516238645.db2.gz WNCRNVNOOMQZPB-UHFFFAOYSA-N 0 2 369.303 2.764 20 5 FFBDLN O=C(Nc1cccc(Cl)c1O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000536208497 516674726 /nfs/dbraw/zinc/67/47/26/516674726.db2.gz MOWVNERDZHHBSM-UHFFFAOYSA-N 0 2 350.714 2.977 20 5 FFBDLN O=C(NCc1c(F)cccc1OC(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000552066545 517058773 /nfs/dbraw/zinc/05/87/73/517058773.db2.gz NKXKGXROIWGTBJ-UHFFFAOYSA-N 0 2 356.256 2.971 20 5 FFBDLN COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000552130728 517098691 /nfs/dbraw/zinc/09/86/91/517098691.db2.gz AISKCIKSUUODOJ-PIGZYNQJSA-N 0 2 360.366 2.815 20 5 FFBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1n[nH]c2ccc(F)cc21 ZINC000545380510 517209180 /nfs/dbraw/zinc/20/91/80/517209180.db2.gz YYXAHGLWWZBNBH-UHFFFAOYSA-N 0 2 350.331 2.552 20 5 FFBDLN Cc1ccc(-c2nc(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000556072375 517255959 /nfs/dbraw/zinc/25/59/59/517255959.db2.gz AESVMIHWGWBTLY-UHFFFAOYSA-N 0 2 358.379 2.662 20 5 FFBDLN COc1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1[N+](=O)[O-] ZINC000542014059 517337629 /nfs/dbraw/zinc/33/76/29/517337629.db2.gz ZPYZYPOFZMAHAF-UHFFFAOYSA-N 0 2 362.285 2.822 20 5 FFBDLN Cn1cc([N+](=O)[O-])cc1C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000520966178 517561303 /nfs/dbraw/zinc/56/13/03/517561303.db2.gz TWBBJOOVELUQEK-UHFFFAOYSA-N 0 2 363.786 2.779 20 5 FFBDLN CC1CCC(N2C[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3O)CC2=O)CC1 ZINC000534068533 517730125 /nfs/dbraw/zinc/73/01/25/517730125.db2.gz MNWLSQRSNRQABH-CPCZMJQVSA-N 0 2 361.398 2.666 20 5 FFBDLN Cc1nc(COc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2)no1 ZINC000538871310 517820365 /nfs/dbraw/zinc/82/03/65/517820365.db2.gz ZRLLLCZJFCKAKD-UHFFFAOYSA-N 0 2 370.321 2.823 20 5 FFBDLN Cc1ccc2c(=O)c(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])c[nH]c2n1 ZINC000522025432 517955993 /nfs/dbraw/zinc/95/59/93/517955993.db2.gz FTMGWPMMYDUPIK-UHFFFAOYSA-N 0 2 366.377 2.867 20 5 FFBDLN C[C@@H](C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000560719729 517985599 /nfs/dbraw/zinc/98/55/99/517985599.db2.gz ZAQPQDSBKZIVQV-SNVBAGLBSA-N 0 2 353.338 2.828 20 5 FFBDLN CC(=O)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1O ZINC000517069020 518009235 /nfs/dbraw/zinc/00/92/35/518009235.db2.gz PLNCGJLMHDZYGQ-UHFFFAOYSA-N 0 2 364.379 2.921 20 5 FFBDLN CC(C)(C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccc2c(c1)OCCO2 ZINC000534803126 518040031 /nfs/dbraw/zinc/04/00/31/518040031.db2.gz PEJHNUZKZTWGFN-UHFFFAOYSA-N 0 2 358.350 2.988 20 5 FFBDLN CCOc1ccc(NS(=O)(=O)c2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000539596930 518115690 /nfs/dbraw/zinc/11/56/90/518115690.db2.gz HLEYEAWXAKOMES-UHFFFAOYSA-N 0 2 352.368 2.803 20 5 FFBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccnn1CCC(C)C ZINC000581528044 518329323 /nfs/dbraw/zinc/32/93/23/518329323.db2.gz VPAQIXAQANDZDW-UHFFFAOYSA-N 0 2 352.416 2.947 20 5 FFBDLN CN1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)c2C1 ZINC000585723507 518574930 /nfs/dbraw/zinc/57/49/30/518574930.db2.gz YEEFNWDBXJZNMT-UHFFFAOYSA-N 0 2 367.814 2.994 20 5 FFBDLN CCN1C[C@H](CN(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])Oc2ccccc21 ZINC000585857264 518620533 /nfs/dbraw/zinc/62/05/33/518620533.db2.gz YICXTTXTDKUZDS-AWEZNQCLSA-N 0 2 371.393 2.660 20 5 FFBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2c[nH]nc2C2CC2)cc1[N+](=O)[O-] ZINC000580096826 519006762 /nfs/dbraw/zinc/00/67/62/519006762.db2.gz QKRMNGXSIPXVMA-UHFFFAOYSA-N 0 2 356.791 2.958 20 5 FFBDLN Cc1cc(N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000580952728 519445007 /nfs/dbraw/zinc/44/50/07/519445007.db2.gz ROVJNLHDLJLYIY-ABAIWWIYSA-N 0 2 356.382 2.907 20 5 FFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cncc2c1CCCC2 ZINC000594727046 520117693 /nfs/dbraw/zinc/11/76/93/520117693.db2.gz VUDQAAHMDJSUBH-UHFFFAOYSA-N 0 2 363.395 2.678 20 5 FFBDLN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC[C@H]1C(=O)OC(C)(C)C ZINC000600361589 520223082 /nfs/dbraw/zinc/22/30/82/520223082.db2.gz MNHKCBPNUNJHCR-WCQYABFASA-N 0 2 364.398 2.740 20 5 FFBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[C@@H]1C(=O)OC(C)(C)C ZINC000600363325 520224870 /nfs/dbraw/zinc/22/48/70/520224870.db2.gz SGEZHTLWVCXQSG-YPMHNXCESA-N 0 2 364.398 2.740 20 5 FFBDLN CCc1ccc(S(=O)(=O)Nc2c(C)nn(CC)c2C)cc1[N+](=O)[O-] ZINC000592351815 520345034 /nfs/dbraw/zinc/34/50/34/520345034.db2.gz BXLQHPLFSVENRA-UHFFFAOYSA-N 0 2 352.416 2.791 20 5 FFBDLN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N=c1ccc(C2CC2)n[nH]1 ZINC000609693915 520409048 /nfs/dbraw/zinc/40/90/48/520409048.db2.gz GJJBTFKXAJXECI-SECBINFHSA-N 0 2 362.773 2.744 20 5 FFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(CCc3ccccc3)n[nH]2)cc1 ZINC000610769206 520835172 /nfs/dbraw/zinc/83/51/72/520835172.db2.gz NQPKFIJWOLOTNV-UHFFFAOYSA-N 0 2 372.406 2.904 20 5 FFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000619467980 521583495 /nfs/dbraw/zinc/58/34/95/521583495.db2.gz QQVSFONOXCOMKM-UHFFFAOYSA-N 0 2 364.379 2.915 20 5 FFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc2c(s1)CCCC2 ZINC000619506777 521600664 /nfs/dbraw/zinc/60/06/64/521600664.db2.gz DXWRDNNCKRLAFH-UHFFFAOYSA-N 0 2 369.424 2.740 20 5 FFBDLN O=C([O-])C[C@@H]1CSCC[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000739658310 600704050 /nfs/dbraw/zinc/70/40/50/600704050.db2.gz OWPGESOENAMTSZ-SNVBAGLBSA-N 0 2 369.424 2.722 20 5 FFBDLN O=C([O-])C[C@@H]1CSCC[N@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000739658310 600704051 /nfs/dbraw/zinc/70/40/51/600704051.db2.gz OWPGESOENAMTSZ-SNVBAGLBSA-N 0 2 369.424 2.722 20 5 FFBDLN O=C([O-])N[C@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000834183559 605486949 /nfs/dbraw/zinc/48/69/49/605486949.db2.gz QKAUKXOZNBSMNN-LBPRGKRZSA-N 0 2 362.411 2.950 20 5 FFBDLN O=C([O-])N[C@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000834183559 605486955 /nfs/dbraw/zinc/48/69/55/605486955.db2.gz QKAUKXOZNBSMNN-LBPRGKRZSA-N 0 2 362.411 2.950 20 5 FFBDLN CC(C)[C@@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)c1nc(C2CC2)no1 ZINC000119707093 728599019 /nfs/dbraw/zinc/59/90/19/728599019.db2.gz QDBAANORZUPLLS-LLVKDONJSA-N 0 2 372.428 2.592 20 5 FFBDLN Cc1ccc(CO)cc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000121659982 728634680 /nfs/dbraw/zinc/63/46/80/728634680.db2.gz GBJXZRNBOBXXHK-UHFFFAOYSA-N 0 2 354.359 2.644 20 5 FFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nccc(-c2ccccc2)n1 ZINC000130598324 728719969 /nfs/dbraw/zinc/71/99/69/728719969.db2.gz BLNZAGPRFOWBNX-UHFFFAOYSA-N 0 2 356.363 2.853 20 5 FFBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)C(F)(F)c1nccs1 ZINC000757667009 736417725 /nfs/dbraw/zinc/41/77/25/736417725.db2.gz UWRPMMSJFISKFS-UHFFFAOYSA-N 0 2 366.309 2.567 20 5 FFBDLN O=C1C(=Cc2ccc([N+](=O)[O-])c(O)c2)NC(=S)N1Cc1ccccc1 ZINC000255414292 729639652 /nfs/dbraw/zinc/63/96/52/729639652.db2.gz URIUNHXLCWENDC-JYRVWZFOSA-N 0 2 355.375 2.558 20 5 FFBDLN Cc1ccc(S(=O)(=O)Nc2cnn(C)c2C2CC2)c(C)c1[N+](=O)[O-] ZINC000857225848 730386201 /nfs/dbraw/zinc/38/62/01/730386201.db2.gz UDQXWRVEZSGPEP-UHFFFAOYSA-N 0 2 350.400 2.623 20 5 FFBDLN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1nc2cc(Br)ccc2s1 ZINC000857658702 730404764 /nfs/dbraw/zinc/40/47/64/730404764.db2.gz RBGQJRXFSRHNRN-VXNVDRBHSA-N 0 2 356.201 2.687 20 5 FFBDLN C[N@@H+]1CCc2c(cccc2S(=O)(=O)[N-]c2cccc(F)c2[N+](=O)[O-])C1 ZINC000903168511 736046633 /nfs/dbraw/zinc/04/66/33/736046633.db2.gz LILUTGGTLOYSAX-UHFFFAOYSA-N 0 2 365.386 2.523 20 5 FFBDLN C[N@H+]1CCc2c(cccc2S(=O)(=O)[N-]c2cccc(F)c2[N+](=O)[O-])C1 ZINC000903168511 736046638 /nfs/dbraw/zinc/04/66/38/736046638.db2.gz LILUTGGTLOYSAX-UHFFFAOYSA-N 0 2 365.386 2.523 20 5 FFBDLN COCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000766570419 737243352 /nfs/dbraw/zinc/24/33/52/737243352.db2.gz FMOMBIWPENBILD-UHFFFAOYSA-N 0 2 352.368 2.551 20 5 FFBDLN CC(C)(C)OC(=O)NCCCCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000776203943 738170554 /nfs/dbraw/zinc/17/05/54/738170554.db2.gz KBAOVWGRUWACLJ-UHFFFAOYSA-N 0 2 353.375 2.934 20 5 FFBDLN CCc1cc(C2CC2)nc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000790648421 739480920 /nfs/dbraw/zinc/48/09/20/739480920.db2.gz XZNKPQARYMSWRS-UHFFFAOYSA-N 0 2 354.413 2.687 20 5 FFBDLN O=C(NC[C@H](O)c1cc2ccccc2s1)c1cc(O)ccc1[N+](=O)[O-] ZINC000797149307 740218159 /nfs/dbraw/zinc/21/81/59/740218159.db2.gz FAXDFQVLXHZLKQ-AWEZNQCLSA-N 0 2 358.375 2.979 20 5 FFBDLN CCCc1nnc(NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])o1 ZINC000829817227 745264297 /nfs/dbraw/zinc/26/42/97/745264297.db2.gz LFMNFXFQUVXFGL-UHFFFAOYSA-N 0 2 364.742 2.524 20 5 FFBDLN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1n[nH]c(=S)o1 ZINC000841423800 747345012 /nfs/dbraw/zinc/34/50/12/747345012.db2.gz QEOJAEQBGLNHBU-UHFFFAOYSA-N 0 2 368.440 2.741 20 5 FFBDLN CCOc1cc(Cc2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)ccc1OC(F)F ZINC000842489696 747618620 /nfs/dbraw/zinc/61/86/20/747618620.db2.gz GVVZVVXHBNEKRB-NXEZZACHSA-N 0 2 355.297 2.793 20 5 FFBDLN O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000263389124 980725370 /nfs/dbraw/zinc/72/53/70/980725370.db2.gz CNALDHVJJZPGNQ-KGLIPLIRSA-N 0 2 372.381 2.544 20 5 FFBDLN O=C([O-])C1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCCC1 ZINC000191511275 980934307 /nfs/dbraw/zinc/93/43/07/980934307.db2.gz GZQYNJFDHALVMP-UHFFFAOYSA-N 0 2 372.381 2.545 20 5 FFBDLN COc1cc(C[N@@H+]2CCc3ccc(C(=O)[O-])cc3C2)c([N+](=O)[O-])cc1OC ZINC001599408136 997367674 /nfs/dbraw/zinc/36/76/74/997367674.db2.gz JHYYCAFXYAVCIU-UHFFFAOYSA-N 0 2 372.377 2.869 20 5 FFBDLN COc1cc(C[N@H+]2CCc3ccc(C(=O)[O-])cc3C2)c([N+](=O)[O-])cc1OC ZINC001599408136 997367687 /nfs/dbraw/zinc/36/76/87/997367687.db2.gz JHYYCAFXYAVCIU-UHFFFAOYSA-N 0 2 372.377 2.869 20 5 FFBDLN COc1c(C)c[nH+]c(CN(C)c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])c1C ZINC000844208646 997726436 /nfs/dbraw/zinc/72/64/36/997726436.db2.gz NZJYLGMPEYIBOG-UHFFFAOYSA-N 0 2 359.382 2.879 20 5 FFBDLN C[C@@]1(NC(=O)C(F)(F)F)CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001197169502 1004110004 /nfs/dbraw/zinc/11/00/04/1004110004.db2.gz XGYYCLXWVKRQHT-CYBMUJFWSA-N 0 2 365.739 2.891 20 5 FFBDLN C[C@@]1([N-]C(=O)C(F)(F)F)CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001197169502 1004110011 /nfs/dbraw/zinc/11/00/11/1004110011.db2.gz XGYYCLXWVKRQHT-CYBMUJFWSA-N 0 2 365.739 2.891 20 5 FFBDLN C[C@@]1([N-]C(=O)C(F)(F)F)CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001197169502 1004110014 /nfs/dbraw/zinc/11/00/14/1004110014.db2.gz XGYYCLXWVKRQHT-CYBMUJFWSA-N 0 2 365.739 2.891 20 5 FFBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000776194510 1005228847 /nfs/dbraw/zinc/22/88/47/1005228847.db2.gz KZEBAANELDZECL-INIZCTEOSA-N 0 2 371.349 2.670 20 5 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358.354 2.928 20 5 FFBDLN COc1cc([N+](=O)[O-])ccc1C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000376970777 513072360 /nfs/dbraw/zinc/07/23/60/513072360.db2.gz BCNXFMPNKFMAQQ-UHFFFAOYSA-N 0 2 362.392 2.858 20 5 FFBDLN COc1c(F)cc(S(=O)(=O)Nc2cc(C)n(C(C)C)n2)cc1[N+](=O)[O-] ZINC000421188261 513144013 /nfs/dbraw/zinc/14/40/13/513144013.db2.gz XJGGRCUWYOWGEK-UHFFFAOYSA-N 0 2 372.378 2.629 20 5 FFBDLN CO[C@H](CC(C)C)CS(=O)(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000421249713 513177235 /nfs/dbraw/zinc/17/72/35/513177235.db2.gz MOSBNFBOIDCWPR-GFCCVEGCSA-N 0 2 367.427 2.946 20 5 FFBDLN C[C@H]1CCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])[C@H]1C(=O)OC(C)(C)C ZINC000425044084 513387072 /nfs/dbraw/zinc/38/70/72/513387072.db2.gz RIDDUPZKUZEPDI-SMDDNHRTSA-N 0 2 364.398 2.883 20 5 FFBDLN C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000421977576 513500803 /nfs/dbraw/zinc/50/08/03/513500803.db2.gz GDNNQERKZVYUQQ-RYUDHWBXSA-N 0 2 364.398 2.740 20 5 FFBDLN 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COc1ccc(C[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1OC ZINC000436986202 514063622 /nfs/dbraw/zinc/06/36/22/514063622.db2.gz QMKBTDNYTZYQML-LLVKDONJSA-N 0 2 360.366 2.679 20 5 FFBDLN COc1cc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)cc(OC)c1OC ZINC000436998521 514070405 /nfs/dbraw/zinc/07/04/05/514070405.db2.gz KFXFFBVWIPMVRM-UHFFFAOYSA-N 0 2 362.338 2.603 20 5 FFBDLN CCC[C@@]1(C(=O)OCC)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000444627289 514277361 /nfs/dbraw/zinc/27/73/61/514277361.db2.gz DEIDDDLJBXGUFK-KRWDZBQOSA-N 0 2 350.371 2.638 20 5 FFBDLN CC(C)(C)OC(=O)CCCCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000508094681 514666724 /nfs/dbraw/zinc/66/67/24/514666724.db2.gz GKWLYPLXCIWSQG-UHFFFAOYSA-N 0 2 352.387 2.932 20 5 FFBDLN CC(C)(C)c1nc(=NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)s[nH]1 ZINC000484862122 514819590 /nfs/dbraw/zinc/81/95/90/514819590.db2.gz GSHXKFMYEUYTLB-UHFFFAOYSA-N 0 2 372.410 2.604 20 5 FFBDLN COc1ccc(OC)c(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000475824128 514824362 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FFBDLN Cc1occc1-c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000187096267 510055103 /nfs/dbraw/zinc/05/51/03/510055103.db2.gz CXOVXOJCFNPWGZ-UHFFFAOYSA-N 0 2 364.339 2.655 20 5 FFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000180770799 510100321 /nfs/dbraw/zinc/10/03/21/510100321.db2.gz WRTAKOBYZITEGV-HNNXBMFYSA-N 0 2 355.350 2.544 20 5 FFBDLN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1N1CCOCC1 ZINC000180901828 510173415 /nfs/dbraw/zinc/17/34/15/510173415.db2.gz BTRNTZZAWFGMTH-UHFFFAOYSA-N 0 2 357.366 2.698 20 5 FFBDLN COc1cc(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)cc([N+](=O)[O-])c1C ZINC000190963362 510438924 /nfs/dbraw/zinc/43/89/24/510438924.db2.gz HKLJJNIAYACIPB-UHFFFAOYSA-N 0 2 370.321 2.507 20 5 FFBDLN CCCCc1nnc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)o1 ZINC000194799656 510533660 /nfs/dbraw/zinc/53/36/60/510533660.db2.gz XAWOWHITFIJVEI-UHFFFAOYSA-N 0 2 354.388 2.738 20 5 FFBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1noc(Cc2ccccc2)n1 ZINC000184855934 510548576 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FFBDLN C[C@H]1CN(c2ccc(NC(=O)c3cccc(O)c3[N+](=O)[O-])cc2)CCO1 ZINC000283647840 511447298 /nfs/dbraw/zinc/44/72/98/511447298.db2.gz CQLKKQOHPPDPHY-LBPRGKRZSA-N 0 2 357.366 2.778 20 5 FFBDLN COC(=O)c1scc(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000325982670 511853592 /nfs/dbraw/zinc/85/35/92/511853592.db2.gz ZOKZYYHMKSNZJO-UHFFFAOYSA-N 0 2 370.408 2.861 20 5 FFBDLN COC(=O)c1cccc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000326715211 511862532 /nfs/dbraw/zinc/86/25/32/511862532.db2.gz ZRLOHNMYWDTRAJ-UHFFFAOYSA-N 0 2 364.379 2.799 20 5 FFBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000275112562 512045001 /nfs/dbraw/zinc/04/50/01/512045001.db2.gz KSDZROIJIXZQJH-SNVBAGLBSA-N 0 2 365.386 2.742 20 5 FFBDLN O=C(Nc1cnc(-c2cccc(O)c2)nc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000376321485 512767335 /nfs/dbraw/zinc/76/73/35/512767335.db2.gz ATTBYSPTQITONB-UHFFFAOYSA-N 0 2 352.306 2.715 20 5 FFBDLN COC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)nc1C(C)C ZINC000412387507 513060842 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364.398 2.740 20 5 FFBDLN CCCCc1cnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)nc1 ZINC000451100263 513520189 /nfs/dbraw/zinc/52/01/89/513520189.db2.gz RLEYEANNNKUAKC-UHFFFAOYSA-N 0 2 366.399 2.537 20 5 FFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000413998423 513920223 /nfs/dbraw/zinc/92/02/23/513920223.db2.gz VZEGMPBXGNHNFX-IBGZPJMESA-N 0 2 368.345 2.551 20 5 FFBDLN Cc1c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)nnn1Cc1ccccc1F ZINC000436714799 513952913 /nfs/dbraw/zinc/95/29/13/513952913.db2.gz VFEZVYVMGFNWFI-UHFFFAOYSA-N 0 2 371.328 2.640 20 5 FFBDLN CC1CCN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3O)cn2)CC1 ZINC000436868792 514014777 /nfs/dbraw/zinc/01/47/77/514014777.db2.gz KCVGKPJEINLENU-UHFFFAOYSA-N 0 2 370.409 2.862 20 5 FFBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1-n1cccn1 ZINC000436890330 514022605 /nfs/dbraw/zinc/02/26/05/514022605.db2.gz YXOBNRQFUVEXMD-LBPRGKRZSA-N 0 2 352.350 2.977 20 5 FFBDLN COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436895727 514023201 /nfs/dbraw/zinc/02/32/01/514023201.db2.gz YOMSGJJHVVZTID-DIFFPNOSSA-N 0 2 360.366 2.815 20 5 FFBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(Br)cn1 ZINC000436902136 514027446 /nfs/dbraw/zinc/02/74/46/514027446.db2.gz JANGVYTZEIXKAK-MRVPVSSYSA-N 0 2 366.171 2.949 20 5 FFBDLN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc(O)c(Cl)c2)n[nH]1 ZINC000436917650 514034373 /nfs/dbraw/zinc/03/43/73/514034373.db2.gz XQMQFTWDEKCFHX-UHFFFAOYSA-N 0 2 374.744 2.695 20 5 FFBDLN COC(=O)[C@H](C)Cc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000436956745 514049257 /nfs/dbraw/zinc/04/92/57/514049257.db2.gz UCPVXUNPIIJTPG-LLVKDONJSA-N 0 2 358.350 2.904 20 5 FFBDLN COCCc1nc2cc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)ccc2o1 ZINC000436977467 514060138 /nfs/dbraw/zinc/06/01/38/514060138.db2.gz RQWAGQGBSXEIAC-UHFFFAOYSA-N 0 2 357.322 2.883 20 5 FFBDLN CCOCCOc1cc(C)ccc1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436997299 514069961 /nfs/dbraw/zinc/06/99/61/514069961.db2.gz FEEKMHUTRZJNKJ-UHFFFAOYSA-N 0 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Cc1ccc(C)c(S(=O)(=O)Nc2ccc(NC(N)=O)cc2)c1[N+](=O)[O-] ZINC000480222983 514886540 /nfs/dbraw/zinc/88/65/40/514886540.db2.gz JOKWAKCJSVJFCZ-UHFFFAOYSA-N 0 2 364.383 2.503 20 5 FFBDLN COC(=O)c1sccc1NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000509650801 515274005 /nfs/dbraw/zinc/27/40/05/515274005.db2.gz KSEDTJUCVWSTGX-UHFFFAOYSA-N 0 2 356.381 2.552 20 5 FFBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cnn(-c3ccc(Cl)cc3)c2)[nH]1 ZINC000486028543 515303316 /nfs/dbraw/zinc/30/33/16/515303316.db2.gz RGZVWFIWOHEFCI-BHQIHCQQSA-N 0 2 359.729 2.806 20 5 FFBDLN CNc1c(C(=O)N=c2nc(-c3ccsc3)[nH]s2)cccc1[N+](=O)[O-] ZINC000462998954 515329046 /nfs/dbraw/zinc/32/90/46/515329046.db2.gz XTWAJATYAFOUHT-UHFFFAOYSA-N 0 2 361.408 2.891 20 5 FFBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C)cc(C)c1 ZINC000468520298 515397995 /nfs/dbraw/zinc/39/79/95/515397995.db2.gz ZHZXSTORUUPTCD-UHFFFAOYSA-N 0 2 364.379 2.799 20 5 FFBDLN CCN1C(=O)CCc2cc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])ccc21 ZINC000504924061 515409145 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ZINC000614482427 520992524 /nfs/dbraw/zinc/99/25/24/520992524.db2.gz NABLIOHAUYPPKT-UHFFFAOYSA-N 0 2 356.331 2.557 20 5 FFBDLN O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000611243987 521054564 /nfs/dbraw/zinc/05/45/64/521054564.db2.gz UJJDGPCSBWCINB-AWEZNQCLSA-N 0 2 367.199 2.886 20 5 FFBDLN COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000611278367 521077397 /nfs/dbraw/zinc/07/73/97/521077397.db2.gz PZTCHQBSNBEMRV-UHFFFAOYSA-N 0 2 364.379 2.799 20 5 FFBDLN O=C(Cc1cn2c([nH+]1)CCCC2)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000593581082 521089257 /nfs/dbraw/zinc/08/92/57/521089257.db2.gz RAWFRZIIIVGWHZ-UHFFFAOYSA-N 0 2 350.762 2.668 20 5 FFBDLN CC(C)C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)CC(=O)[O-] ZINC000593702961 521165488 /nfs/dbraw/zinc/16/54/88/521165488.db2.gz YPECYKLISWPVCX-ZDUSSCGKSA-N 0 2 374.397 2.647 20 5 FFBDLN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000593768511 521203372 /nfs/dbraw/zinc/20/33/72/521203372.db2.gz 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COc1c(C)cccc1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001309630957 1043461485 /nfs/dbraw/zinc/46/14/85/1043461485.db2.gz WIWOWRYAVIRFPF-UHFFFAOYSA-N 0 2 354.359 2.529 20 5 FFBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2nc(C)oc2c1 ZINC001320770482 1045465108 /nfs/dbraw/zinc/46/51/08/1045465108.db2.gz JKDYGYPNGWKOLO-UHFFFAOYSA-N 0 2 363.351 2.854 20 5 FFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cc(C2CC2)nn1C ZINC001326503716 1046960119 /nfs/dbraw/zinc/96/01/19/1046960119.db2.gz IRDUYTLTPIDBBB-UHFFFAOYSA-N 0 2 350.400 2.623 20 5 FFBDLN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC001290387691 1048078122 /nfs/dbraw/zinc/07/81/22/1048078122.db2.gz SMOFVVPJQNUHAE-UHFFFAOYSA-N 0 2 366.377 2.817 20 5 FFBDLN CCc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])CC2)cc1 ZINC001471561929 1064715388 /nfs/dbraw/zinc/71/53/88/1064715388.db2.gz KEHLUDURXGOTGE-UHFFFAOYSA-N 0 2 369.421 2.821 20 5 FFBDLN Cc1c(CC(=O)Nc2nccc(Br)c2O)cccc1[N+](=O)[O-] ZINC001557774532 1075888022 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CSTXUCLVTJJLDB-GFCCVEGCSA-N 0 2 369.377 2.678 20 5 FFBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1nc(-c2cccc(F)c2)no1 ZINC000175602454 251235754 /nfs/dbraw/zinc/23/57/54/251235754.db2.gz NMUGKASHKBUJBG-VIFPVBQESA-N 0 2 372.312 2.981 20 5 FFBDLN C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000288361112 257179804 /nfs/dbraw/zinc/17/98/04/257179804.db2.gz WOAFJVVUXWZIQP-NSHDSACASA-N 0 2 371.397 2.767 20 5 FFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000288121396 257149853 /nfs/dbraw/zinc/14/98/53/257149853.db2.gz XXVHABAQNATVDW-ZACQAIPSSA-N 0 2 368.389 2.945 20 5 FFBDLN CCCCCC(=O)NC1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000299570206 258006161 /nfs/dbraw/zinc/00/61/61/258006161.db2.gz PJLWKVAGRLLHTN-UHFFFAOYSA-N 0 2 363.414 2.602 20 5 FFBDLN CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000042004813 506582043 /nfs/dbraw/zinc/58/20/43/506582043.db2.gz AFZPUUIOSAPSDV-UHFFFAOYSA-N 0 2 364.379 2.881 20 5 FFBDLN COC(=O)c1sccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000015423757 507040462 /nfs/dbraw/zinc/04/04/62/507040462.db2.gz BFZCMPIKFOBLOH-UHFFFAOYSA-N 0 2 356.381 2.552 20 5 FFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c(Cl)c1 ZINC000047521451 507350418 /nfs/dbraw/zinc/35/04/18/507350418.db2.gz MVKDTRXXFBJTSL-UHFFFAOYSA-N 0 2 370.770 2.820 20 5 FFBDLN COCCn1ncc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc21 ZINC000061633280 507629711 /nfs/dbraw/zinc/62/97/11/507629711.db2.gz LKONYUQKZDRMQA-UHFFFAOYSA-N 0 2 356.338 2.549 20 5 FFBDLN O=C(Nc1cccc(-c2nc(=O)o[nH]2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110275875 508018394 /nfs/dbraw/zinc/01/83/94/508018394.db2.gz XINPPSFQQUGZAU-UHFFFAOYSA-N 0 2 360.713 2.844 20 5 FFBDLN O=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000367204931 512384372 /nfs/dbraw/zinc/38/43/72/512384372.db2.gz FOZWTAJJDRQTHN-LLVKDONJSA-N 0 2 363.320 2.587 20 5 FFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nnc(C(C)C)s1 ZINC000083956149 508260941 /nfs/dbraw/zinc/26/09/41/508260941.db2.gz ARZPGHAGNVRZEN-UHFFFAOYSA-N 0 2 356.429 2.987 20 5 FFBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnn(-c2ccccc2)c1 ZINC000121844284 508430056 /nfs/dbraw/zinc/43/00/56/508430056.db2.gz MBTLZEHSLMVTFG-UHFFFAOYSA-N 0 2 358.379 2.890 20 5 FFBDLN Cc1[nH]nc2ncc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc12 ZINC000152607279 508478169 /nfs/dbraw/zinc/47/81/69/508478169.db2.gz JNJMPXKDACAZAL-UHFFFAOYSA-N 0 2 367.774 2.629 20 5 FFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000373569909 512401662 /nfs/dbraw/zinc/40/16/62/512401662.db2.gz SZBFUPDPGNYIPE-IBGZPJMESA-N 0 2 354.362 2.962 20 5 FFBDLN O=C(Nc1ccc(CN2CCCC2=O)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000131437590 508931839 /nfs/dbraw/zinc/93/18/39/508931839.db2.gz IIISRPNRLYVEJJ-UHFFFAOYSA-N 0 2 355.350 2.675 20 5 FFBDLN COc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c(C)n1 ZINC000160680467 509019677 /nfs/dbraw/zinc/01/96/77/509019677.db2.gz NFGORRRSTCRQTC-UHFFFAOYSA-N 0 2 351.384 2.724 20 5 FFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(-n2cccn2)cc1 ZINC000121288865 509163495 /nfs/dbraw/zinc/16/34/95/509163495.db2.gz HQQXLMFWRPCFKQ-UHFFFAOYSA-N 0 2 358.379 2.890 20 5 FFBDLN Cn1ccnc1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(F)cc1 ZINC000121555043 509178282 /nfs/dbraw/zinc/17/82/82/509178282.db2.gz YPAXNGAAGFRQTP-INIZCTEOSA-N 0 2 370.340 2.692 20 5 FFBDLN CCn1nc(C)c(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1C ZINC000172904118 509301956 /nfs/dbraw/zinc/30/19/56/509301956.db2.gz OVTFDNZFTWCVGQ-UHFFFAOYSA-N 0 2 352.416 2.846 20 5 FFBDLN Cc1cc(S(=O)(=O)Nc2cccc(OCC(F)F)n2)ccc1[N+](=O)[O-] ZINC000179241190 509335832 /nfs/dbraw/zinc/33/58/32/509335832.db2.gz BGFNZRXFSAIEJZ-UHFFFAOYSA-N 0 2 373.337 2.743 20 5 FFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@H](COCc2ccccc2)C1 ZINC000179521948 509492826 /nfs/dbraw/zinc/49/28/26/509492826.db2.gz AOEYBOLRYRWQLL-HNNXBMFYSA-N 0 2 356.378 2.979 20 5 FFBDLN O=C(NCCc1nc(C(F)(F)F)cs1)c1cc([N+](=O)[O-])ccc1O ZINC000179526636 509495098 /nfs/dbraw/zinc/49/50/98/509495098.db2.gz IONQJDZUUGODHM-UHFFFAOYSA-N 0 2 361.301 2.748 20 5 FFBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc([S@](C)=O)cc2)c1[N+](=O)[O-] ZINC000189300712 509507635 /nfs/dbraw/zinc/50/76/35/509507635.db2.gz WLCDYZBNSMKDCZ-QHCPKHFHSA-N 0 2 368.436 2.750 20 5 FFBDLN COc1ccc(C[C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1OC ZINC000264405989 509507466 /nfs/dbraw/zinc/50/74/66/509507466.db2.gz IFXXPFFSGRNELB-NSHDSACASA-N 0 2 360.366 2.679 20 5 FFBDLN CCc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)nc(C)n1 ZINC000186110655 509527247 /nfs/dbraw/zinc/52/72/47/509527247.db2.gz XBJAGICHRBVSIP-UHFFFAOYSA-N 0 2 350.400 2.673 20 5 FFBDLN CC(C)Cc1nnc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])s1 ZINC000176585469 509596078 /nfs/dbraw/zinc/59/60/78/509596078.db2.gz ALWPLNXLTSWMHN-UHFFFAOYSA-N 0 2 360.392 2.585 20 5 FFBDLN O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166186974 509597771 /nfs/dbraw/zinc/59/77/71/509597771.db2.gz IDELQSKWMFDWLX-UHFFFAOYSA-N 0 2 360.351 2.983 20 5 FFBDLN Cc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1C(=O)NC(C)C ZINC000186245115 509599068 /nfs/dbraw/zinc/59/90/68/509599068.db2.gz XHFYRCHDZHJILG-UHFFFAOYSA-N 0 2 357.366 2.999 20 5 FFBDLN CC(C)c1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)n(-c2ncccn2)n1 ZINC000186331480 509652194 /nfs/dbraw/zinc/65/21/94/509652194.db2.gz NNZQFCZGVOLBKP-UHFFFAOYSA-N 0 2 368.353 2.652 20 5 FFBDLN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184601645 510410532 /nfs/dbraw/zinc/41/05/32/510410532.db2.gz XRRCWYSKUBPTJA-LBPRGKRZSA-N 0 2 367.365 2.714 20 5 FFBDLN CC(C)c1nnc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)cn21 ZINC000187779602 510432431 /nfs/dbraw/zinc/43/24/31/510432431.db2.gz NDTAXPVNXXSBOL-UHFFFAOYSA-N 0 2 367.412 2.623 20 5 FFBDLN CCN(Cc1ccccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1)C(C)=O ZINC000185051213 510657198 /nfs/dbraw/zinc/65/71/98/510657198.db2.gz VHQMKOPQUOBTJS-UHFFFAOYSA-N 0 2 357.366 2.921 20 5 FFBDLN O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000181924836 510663774 /nfs/dbraw/zinc/66/37/74/510663774.db2.gz LYIBZRLZYQVJTI-GFCCVEGCSA-N 0 2 359.357 2.696 20 5 FFBDLN CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000182089787 510752268 /nfs/dbraw/zinc/75/22/68/510752268.db2.gz VXQGHRQWQJRNQT-UHFFFAOYSA-N 0 2 371.393 2.966 20 5 FFBDLN CC(C)c1nc(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)no1 ZINC000294848287 511198432 /nfs/dbraw/zinc/19/84/32/511198432.db2.gz XLHBBXIRKJKHMJ-UHFFFAOYSA-N 0 2 360.370 2.827 20 5 FFBDLN Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000365627906 511568811 /nfs/dbraw/zinc/56/88/11/511568811.db2.gz KQGFYKQEWLSXPW-CQSZACIVSA-N 0 2 357.414 2.537 20 5 FFBDLN C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000292373669 511572364 /nfs/dbraw/zinc/57/23/64/511572364.db2.gz SEKZCVRGVOELHT-NSHDSACASA-N 0 2 371.397 2.767 20 5 FFBDLN CC(C)c1nn(C)cc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000280917237 511651955 /nfs/dbraw/zinc/65/19/55/511651955.db2.gz GZTSBRNIMNBZEP-UHFFFAOYSA-N 0 2 358.807 2.906 20 5 FFBDLN COc1ccc(O)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000322794719 511827157 /nfs/dbraw/zinc/82/71/57/511827157.db2.gz ARIRMNHADAEBAN-UHFFFAOYSA-N 0 2 358.759 2.763 20 5 FFBDLN COC(=O)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)c2ccccc21 ZINC000364371695 512102965 /nfs/dbraw/zinc/10/29/65/512102965.db2.gz YAPDQFAGNQWCCS-LLVKDONJSA-N 0 2 356.334 2.608 20 5 FFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCN2c3ccccc3C[C@H]2C1 ZINC000377974129 512533437 /nfs/dbraw/zinc/53/34/37/512533437.db2.gz OMQXSKOAYRPXAP-HNNXBMFYSA-N 0 2 353.378 2.578 20 5 FFBDLN COc1cc(CC2CN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000367620478 512587871 /nfs/dbraw/zinc/58/78/71/512587871.db2.gz COQDJJBHECIPQY-UHFFFAOYSA-N 0 2 372.377 2.632 20 5 FFBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000368290242 512885197 /nfs/dbraw/zinc/88/51/97/512885197.db2.gz DKSKZRGAEKIASG-HXUWFJFHSA-N 0 2 370.405 2.758 20 5 FFBDLN CCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)cc1 ZINC000392797728 512928360 /nfs/dbraw/zinc/92/83/60/512928360.db2.gz TUBIDGYCBUHAEE-UHFFFAOYSA-N 0 2 364.379 2.745 20 5 FFBDLN O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000374862796 513044237 /nfs/dbraw/zinc/04/42/37/513044237.db2.gz MJODPLCSRFDPMR-CQSZACIVSA-N 0 2 361.785 2.741 20 5 FFBDLN CO[C@@H](CC(C)C)CS(=O)(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000421249716 513176822 /nfs/dbraw/zinc/17/68/22/513176822.db2.gz MOSBNFBOIDCWPR-LBPRGKRZSA-N 0 2 367.427 2.946 20 5 FFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(OC(C)C)nn1 ZINC000446947942 513365984 /nfs/dbraw/zinc/36/59/84/513365984.db2.gz KELLZQGGPXDIGX-UHFFFAOYSA-N 0 2 366.399 2.590 20 5 FFBDLN C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@@H]1C(=O)OC(C)(C)C ZINC000425048800 513390048 /nfs/dbraw/zinc/39/00/48/513390048.db2.gz WXYDRODYLINZPF-NHYWBVRUSA-N 0 2 364.398 2.883 20 5 FFBDLN CCOc1ncc(C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000451068683 513495874 /nfs/dbraw/zinc/49/58/74/513495874.db2.gz BZTUKEIJIWLFCZ-UHFFFAOYSA-N 0 2 351.384 2.806 20 5 FFBDLN COc1ccc(S(=O)(=O)Nc2scnc2C(C)C)cc1[N+](=O)[O-] ZINC000451110354 513530914 /nfs/dbraw/zinc/53/09/14/513530914.db2.gz YHPYOBMPALEKBY-UHFFFAOYSA-N 0 2 357.413 2.984 20 5 FFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nc(C(C)(C)C)ns2)c1 ZINC000442619171 513746457 /nfs/dbraw/zinc/74/64/57/513746457.db2.gz SLQWYXIBSHEYMS-UHFFFAOYSA-N 0 2 370.456 2.583 20 5 FFBDLN O=C(N[C@H](CO)c1cccc(Cl)c1F)c1ccc([N+](=O)[O-])cc1O ZINC000436487714 513871250 /nfs/dbraw/zinc/87/12/50/513871250.db2.gz KKMLZAMSRGEPAU-GFCCVEGCSA-N 0 2 354.721 2.556 20 5 FFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(Cc2ccccc2CO)CC1 ZINC000436746733 513963754 /nfs/dbraw/zinc/96/37/54/513963754.db2.gz ZNNUGCZDJZHLHC-UHFFFAOYSA-N 0 2 370.405 2.888 20 5 FFBDLN CCOC(=O)[C@@](C)(CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000436836450 514001493 /nfs/dbraw/zinc/00/14/93/514001493.db2.gz CPBKAECHBCBBQD-IBGZPJMESA-N 0 2 372.377 2.551 20 5 FFBDLN COc1cccc(N2CCC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)C2)c1 ZINC000436874327 514016028 /nfs/dbraw/zinc/01/60/28/514016028.db2.gz SURZORWIONKELB-CYBMUJFWSA-N 0 2 371.393 2.708 20 5 FFBDLN O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000436920058 514034601 /nfs/dbraw/zinc/03/46/01/514034601.db2.gz PZOBLQZUERRAGL-UHFFFAOYSA-N 0 2 358.398 2.830 20 5 FFBDLN O=C(Nc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1)NC1CC1 ZINC000436951611 514046805 /nfs/dbraw/zinc/04/68/05/514046805.db2.gz ZLWMMOOVUIBFHE-UHFFFAOYSA-N 0 2 356.338 2.837 20 5 FFBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000436967030 514054569 /nfs/dbraw/zinc/05/45/69/514054569.db2.gz NRRLFCAUOVUVLJ-MRXNPFEDSA-N 0 2 352.350 2.885 20 5 FFBDLN C[C@H](c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1)[NH+]1CCOCC1 ZINC000436968847 514055264 /nfs/dbraw/zinc/05/52/64/514055264.db2.gz VYEGYECOYPFFMC-CYBMUJFWSA-N 0 2 371.393 2.946 20 5 FFBDLN CCS[C@H](C)c1noc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC000437000252 514069590 /nfs/dbraw/zinc/06/95/90/514069590.db2.gz MOTSXKGTVRDMEW-SECBINFHSA-N 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O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(-c3ccco3)s2)s1 ZINC000471510438 514911907 /nfs/dbraw/zinc/91/19/07/514911907.db2.gz LIPXDFTXQJDWLE-UHFFFAOYSA-N 0 2 358.382 2.569 20 5 FFBDLN CC(C)n1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)cn1 ZINC000462372240 515018675 /nfs/dbraw/zinc/01/86/75/515018675.db2.gz WJINGXLTVQDLSD-UHFFFAOYSA-N 0 2 361.383 2.721 20 5 FFBDLN COc1cc(CN(C)Cc2nc(=O)c3sccc3[nH]2)ccc1[N+](=O)[O-] ZINC000467474829 515018845 /nfs/dbraw/zinc/01/88/45/515018845.db2.gz ODHCEGQWNMDQHR-UHFFFAOYSA-N 0 2 360.395 2.946 20 5 FFBDLN Cc1ccc2cccnc2c1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000476509654 515079147 /nfs/dbraw/zinc/07/91/47/515079147.db2.gz JZDFFVMVTJNEPJ-UHFFFAOYSA-N 0 2 359.363 2.958 20 5 FFBDLN CC[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000462604891 515148963 /nfs/dbraw/zinc/14/89/63/515148963.db2.gz VDLFJZAVUVYYLT-GFCCVEGCSA-N 0 2 370.406 2.514 20 5 FFBDLN CCc1oncc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000509377699 515150241 /nfs/dbraw/zinc/15/02/41/515150241.db2.gz HIAMHKMIJNCMMP-UHFFFAOYSA-N 0 2 365.289 2.965 20 5 FFBDLN O=[N+]([O-])c1ccc(-c2noc(=NCc3cccc(-n4cc[nH+]c4)c3)[n-]2)cc1 ZINC000486943000 515693497 /nfs/dbraw/zinc/69/34/97/515693497.db2.gz NRYFNSZWXZPKKJ-UHFFFAOYSA-N 0 2 362.349 2.865 20 5 FFBDLN CC[C@@H](C)c1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cn1 ZINC000478699507 515929914 /nfs/dbraw/zinc/92/99/14/515929914.db2.gz ZXTRTQHZORAWKO-SNVBAGLBSA-N 0 2 366.399 2.708 20 5 FFBDLN CCO[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H]1Oc1ccccc1 ZINC000483949226 516256808 /nfs/dbraw/zinc/25/68/08/516256808.db2.gz RJGUVWGCFUKRKR-ZTFGCOKTSA-N 0 2 372.377 2.655 20 5 FFBDLN CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000543719842 516390005 /nfs/dbraw/zinc/39/00/05/516390005.db2.gz UNZHWJQJTDFFIM-GFCCVEGCSA-N 0 2 364.398 2.884 20 5 FFBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N(Cc1ccncc1)Cc1cccnc1 ZINC000540545539 516611173 /nfs/dbraw/zinc/61/11/73/516611173.db2.gz RPSIQBXEWFFBST-UHFFFAOYSA-N 0 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517315361 /nfs/dbraw/zinc/31/53/61/517315361.db2.gz MLDVHTKBWWFRNF-UHFFFAOYSA-N 0 2 352.293 2.874 20 5 FFBDLN CCNC(=O)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000545933440 517444048 /nfs/dbraw/zinc/44/40/48/517444048.db2.gz PWXCTPPWDPXQIH-UHFFFAOYSA-N 0 2 369.424 2.515 20 5 FFBDLN Cc1ccn(-c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)n1 ZINC000559994547 517523462 /nfs/dbraw/zinc/52/34/62/517523462.db2.gz VMWLBEHILPGZIM-UHFFFAOYSA-N 0 2 358.379 2.890 20 5 FFBDLN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000538823200 517793165 /nfs/dbraw/zinc/79/31/65/517793165.db2.gz XIRMNVAUPMFIGK-UHFFFAOYSA-N 0 2 373.394 2.653 20 5 FFBDLN Cc1cccc(Cn2nccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000563880004 518212052 /nfs/dbraw/zinc/21/20/52/518212052.db2.gz CGGJYUZAIYYGGC-UHFFFAOYSA-N 0 2 372.406 2.949 20 5 FFBDLN COC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000578985653 518468213 /nfs/dbraw/zinc/46/82/13/518468213.db2.gz FOFXWRMUDGRVCA-GFCCVEGCSA-N 0 2 358.350 2.504 20 5 FFBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000564558931 518502707 /nfs/dbraw/zinc/50/27/07/518502707.db2.gz MNAQLDWPPSENMD-UHFFFAOYSA-N 0 2 356.367 2.818 20 5 FFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCN(c2cccc(F)c2F)CC1 ZINC000570312300 518546081 /nfs/dbraw/zinc/54/60/81/518546081.db2.gz XAKHVFBNZLEGMN-UHFFFAOYSA-N 0 2 363.320 2.541 20 5 FFBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000580463978 519188465 /nfs/dbraw/zinc/18/84/65/519188465.db2.gz FYVYHVJEPBLKHU-KBPBESRZSA-N 0 2 353.378 2.509 20 5 FFBDLN CCOc1ncccc1NS(=O)(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000583752767 519416794 /nfs/dbraw/zinc/41/67/94/519416794.db2.gz BGNAGRZJAFDPAG-UHFFFAOYSA-N 0 2 351.384 2.752 20 5 FFBDLN COCCOc1ccccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000578409096 519575675 /nfs/dbraw/zinc/57/56/75/519575675.db2.gz ZXOIXMWWIYNOQN-UHFFFAOYSA-N 0 2 366.395 2.729 20 5 FFBDLN Cc1cc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])n(-c2ccccn2)n1 ZINC000608926949 520162326 /nfs/dbraw/zinc/16/23/26/520162326.db2.gz QWCMLDKZCWFWKD-UHFFFAOYSA-N 0 2 373.394 2.593 20 5 FFBDLN COC(=O)[C@]1(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCCC(C)(C)C1 ZINC000600275992 520173396 /nfs/dbraw/zinc/17/33/96/520173396.db2.gz AETJBVSDUUWLIK-KRWDZBQOSA-N 0 2 350.371 2.542 20 5 FFBDLN CCc1ccc(S(=O)(=O)Nc2cc(C3CC3)nc(C)n2)cc1[N+](=O)[O-] ZINC000592385167 520363516 /nfs/dbraw/zinc/36/35/16/520363516.db2.gz OXZYCANVSVQUTO-UHFFFAOYSA-N 0 2 362.411 2.934 20 5 FFBDLN CCCOc1cncc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000600670275 520387022 /nfs/dbraw/zinc/38/70/22/520387022.db2.gz QKQDWLXKHWNVIB-UHFFFAOYSA-N 0 2 351.384 2.888 20 5 FFBDLN C[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000610264699 520609811 /nfs/dbraw/zinc/60/98/11/520609811.db2.gz FEDTVBOFEDEMOC-LLVKDONJSA-N 0 2 374.378 2.684 20 5 FFBDLN C[C@H](C(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000617717387 520672429 /nfs/dbraw/zinc/67/24/29/520672429.db2.gz CTSXCZXUWJJZGX-JTQLQIEISA-N 0 2 354.322 2.680 20 5 FFBDLN Cc1ccc(S(=O)(=O)Nc2cc3n(n2)CCCC3)c(C)c1[N+](=O)[O-] ZINC000598716609 520807558 /nfs/dbraw/zinc/80/75/58/520807558.db2.gz IHWYNGBWVNBHDV-UHFFFAOYSA-N 0 2 350.400 2.545 20 5 FFBDLN Cc1ccc(S(=O)(=O)Nc2cc(C3CC3)nc(C)n2)c(C)c1[N+](=O)[O-] ZINC000598733378 520815238 /nfs/dbraw/zinc/81/52/38/520815238.db2.gz BILSUZAEPCCGEG-UHFFFAOYSA-N 0 2 362.411 2.988 20 5 FFBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc2c1OCCCO2 ZINC000593275833 520875504 /nfs/dbraw/zinc/87/55/04/520875504.db2.gz LBHOGFJRAQSWLH-UHFFFAOYSA-N 0 2 364.379 2.865 20 5 FFBDLN CCOC(=O)C[C@@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])CC(C)C ZINC000593790121 521214771 /nfs/dbraw/zinc/21/47/71/521214771.db2.gz KSTWJBIHYRWCBU-LBPRGKRZSA-N 0 2 352.387 2.646 20 5 FFBDLN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000611741184 521308158 /nfs/dbraw/zinc/30/81/58/521308158.db2.gz QZRTXHBZUBXQIZ-SECBINFHSA-N 0 2 369.424 2.654 20 5 FFBDLN O=C(Nc1n[nH]c(C2CCC2)n1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599765938 521456349 /nfs/dbraw/zinc/45/63/49/521456349.db2.gz MLYWZZSGLPGCOE-UHFFFAOYSA-N 0 2 366.175 2.995 20 5 FFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(C(C)=O)c1 ZINC000619466307 521582789 /nfs/dbraw/zinc/58/27/89/521582789.db2.gz LPIMOGHVRRDQBC-UHFFFAOYSA-N 0 2 350.352 2.607 20 5 FFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2c1ccn2C ZINC000619467087 521583883 /nfs/dbraw/zinc/58/38/83/521583883.db2.gz NDHNWWXTTZSJEI-UHFFFAOYSA-N 0 2 361.379 2.896 20 5 FFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cncc2ccccc21 ZINC000619468132 521583898 /nfs/dbraw/zinc/58/38/98/521583898.db2.gz YTQQYQPCJRKIDQ-UHFFFAOYSA-N 0 2 359.363 2.952 20 5 FFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(OCCF)c1 ZINC000619468013 521584073 /nfs/dbraw/zinc/58/40/73/521584073.db2.gz RONFBUOTNFKWHD-UHFFFAOYSA-N 0 2 370.358 2.753 20 5 FFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnc2c(c1)CCCC2 ZINC000619507571 521602860 /nfs/dbraw/zinc/60/28/60/521602860.db2.gz NSYJLNAAAXYKBW-UHFFFAOYSA-N 0 2 363.395 2.678 20 5 FFBDLN O=C([O-])Nc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000740712621 601998056 /nfs/dbraw/zinc/99/80/56/601998056.db2.gz ZWEVEDMQRDZCFW-UHFFFAOYSA-N 0 2 368.309 2.518 20 5 FFBDLN O=C([O-])NC[C@H]1CCC[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000834220906 605616840 /nfs/dbraw/zinc/61/68/40/605616840.db2.gz OEAHJFFJKFHOMU-SECBINFHSA-N 0 2 358.192 2.589 20 5 FFBDLN O=C([O-])NC[C@H]1CCC[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000834220906 605616843 /nfs/dbraw/zinc/61/68/43/605616843.db2.gz OEAHJFFJKFHOMU-SECBINFHSA-N 0 2 358.192 2.589 20 5 FFBDLN Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000833956158 605813695 /nfs/dbraw/zinc/81/36/95/605813695.db2.gz XKFLZQMJXJJYKA-JKSUJKDBSA-N 0 2 373.413 2.540 20 5 FFBDLN COC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccco1 ZINC000080790320 728333089 /nfs/dbraw/zinc/33/30/89/728333089.db2.gz LPPYPAKHTWFEAK-SNVBAGLBSA-N 0 2 360.775 2.507 20 5 FFBDLN Cc1ccc(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)c(C)c1[N+](=O)[O-] ZINC000857223762 730385945 /nfs/dbraw/zinc/38/59/45/730385945.db2.gz RKMCREPNILVLSU-UHFFFAOYSA-N 0 2 352.416 2.964 20 5 FFBDLN CC1(C)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2ccc(Br)cc2O1 ZINC000857680629 730406377 /nfs/dbraw/zinc/40/63/77/730406377.db2.gz LXWSAJRQKVXZAC-MWLCHTKSSA-N 0 2 355.188 2.618 20 5 FFBDLN COc1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1[N+](=O)[O-] ZINC000763076455 736899217 /nfs/dbraw/zinc/89/92/17/736899217.db2.gz HZHHQYBBUCGOQM-UHFFFAOYSA-N 0 2 367.339 2.621 20 5 FFBDLN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc([N+](=O)[O-])cc1O ZINC000773308540 737891317 /nfs/dbraw/zinc/89/13/17/737891317.db2.gz VAAUZFLTSCDNLF-UHFFFAOYSA-N 0 2 351.702 2.792 20 5 FFBDLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000803411102 740796535 /nfs/dbraw/zinc/79/65/35/740796535.db2.gz HRLMVXXXMLSHAW-UHFFFAOYSA-N 0 2 359.729 2.991 20 5 FFBDLN CCOc1ncc(C)cc1NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000830028518 745296581 /nfs/dbraw/zinc/29/65/81/745296581.db2.gz NEXOFLRSHJDQGF-UHFFFAOYSA-N 0 2 369.374 2.945 20 5 FFBDLN CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841237695 747303548 /nfs/dbraw/zinc/30/35/48/747303548.db2.gz JTMHXJLDPWDFKG-IYSWYEEDSA-N 0 2 352.290 2.547 20 5 FFBDLN COc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])c(O)c3)C(=O)O2)cc1OC ZINC000748158955 962474731 /nfs/dbraw/zinc/47/47/31/962474731.db2.gz VSGLCIGHBOBWAK-KPKJPENVSA-N 0 2 370.317 2.662 20 5 FFBDLN C[C@@](CO)(Cc1ccc(Cl)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001152207298 1032126494 /nfs/dbraw/zinc/12/64/94/1032126494.db2.gz JSMZXFCXRIYHOR-KRWDZBQOSA-N 0 2 364.785 2.677 20 5 FFBDLN C[C@@H]1CC(C(=O)[O-])C[C@@H](C)[NH+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001594207742 998801974 /nfs/dbraw/zinc/80/19/74/998801974.db2.gz JFQXMSGTRVECFR-NXEZZACHSA-N 0 2 369.805 2.760 20 5 FFBDLN Cc1cccn2cc(CCNC(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])[nH+]c12 ZINC001148741919 1001200564 /nfs/dbraw/zinc/20/05/64/1001200564.db2.gz UXDSSVHPWKSIGN-UHFFFAOYSA-N 0 2 374.784 2.882 20 5 FFBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(N2CCCC2=O)cc1 ZINC000772449111 1001397453 /nfs/dbraw/zinc/39/74/53/1001397453.db2.gz KNDUZODNKISAKC-GFCCVEGCSA-N 0 2 369.377 2.918 20 5 FFBDLN CC(C)Oc1ccc([C@@H](O)CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000788300604 1001782526 /nfs/dbraw/zinc/78/25/26/1001782526.db2.gz YHIMIGPIYYDYGA-KRWDZBQOSA-N 0 2 360.366 2.551 20 5 FFBDLN Cc1ncc(S(=O)(=O)Nc2cc3cccnc3c3ncccc23)n1C ZINC001198400385 1004605746 /nfs/dbraw/zinc/60/57/46/1004605746.db2.gz NOKJGNHCYQOOPG-UHFFFAOYSA-N 0 2 353.407 2.626 20 5 FFBDLN C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1nn(C)cc1O ZINC001179925929 1009492492 /nfs/dbraw/zinc/49/24/92/1009492492.db2.gz BUZFEERHXNNYES-LLVKDONJSA-N 0 2 362.389 2.611 20 5 FFBDLN CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)C1CC1 ZINC000752679420 1023189453 /nfs/dbraw/zinc/18/94/53/1023189453.db2.gz KJYOWHIVTSXXJM-GFCCVEGCSA-N 0 2 365.386 2.932 20 5 FFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nnc(CCc2ccccc2)o1 ZINC000194846043 1024906673 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FFBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1OC ZINC000055663986 506819856 /nfs/dbraw/zinc/81/98/56/506819856.db2.gz ZDKAKPDRUWXEBY-UHFFFAOYSA-N 0 2 352.368 2.721 20 5 FFBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(-n2cccn2)cc1 ZINC000075545279 508115635 /nfs/dbraw/zinc/11/56/35/508115635.db2.gz JGQKNVNTTNFTQZ-GFCCVEGCSA-N 0 2 352.350 2.977 20 5 FFBDLN CCN(CC)C(=O)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000128094612 508546584 /nfs/dbraw/zinc/54/65/84/508546584.db2.gz IZHBGETYBNHAJU-UHFFFAOYSA-N 0 2 371.393 2.964 20 5 FFBDLN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000157584927 508584014 /nfs/dbraw/zinc/58/40/14/508584014.db2.gz ZSDIVSVNDFLDIW-GFCCVEGCSA-N 0 2 371.393 2.759 20 5 FFBDLN COc1ccc(S(=O)(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1C ZINC000135530372 508618445 /nfs/dbraw/zinc/61/84/45/508618445.db2.gz FGLJXNKOMTXOJY-UHFFFAOYSA-N 0 2 362.367 2.589 20 5 FFBDLN O=[N+]([O-])c1ccc2[nH]nc(NS(=O)(=O)Cc3ccc(F)cc3)c2c1 ZINC000135595304 508629412 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O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCN(c2ccccc2F)CC1 ZINC000376479814 512836608 /nfs/dbraw/zinc/83/66/08/512836608.db2.gz ZDWWNCXGFQJNFS-UHFFFAOYSA-N 0 2 359.357 2.792 20 5 FFBDLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000392176956 512922316 /nfs/dbraw/zinc/92/23/16/512922316.db2.gz WWWBIRIHPKSHMR-UHFFFAOYSA-N 0 2 374.371 2.691 20 5 FFBDLN Cc1nc2c(s1)[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CCC2 ZINC000374804036 513011698 /nfs/dbraw/zinc/01/16/98/513011698.db2.gz AMLDQZJRCOKLER-LLVKDONJSA-N 0 2 371.415 2.855 20 5 FFBDLN O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000374878646 513051638 /nfs/dbraw/zinc/05/16/38/513051638.db2.gz PNNKEMGXBAVLCO-OAHLLOKOSA-N 0 2 361.785 2.741 20 5 FFBDLN CO[C@@H](Cc1ccccc1)CS(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000421242380 513173565 /nfs/dbraw/zinc/17/35/65/513173565.db2.gz YYXAXLKEGWEDTR-INIZCTEOSA-N 0 2 364.423 2.903 20 5 FFBDLN CCOc1ncc(C)cc1NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000451073805 513498839 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FFBDLN O=C(Cc1ccc(Br)cc1O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000499074842 515189945 /nfs/dbraw/zinc/18/99/45/515189945.db2.gz YQBFBWNEYMSRTB-UHFFFAOYSA-N 0 2 367.155 2.950 20 5 FFBDLN O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3(c4nnn[n-]4)CCCC3)cs2)c1 ZINC000499217973 515241303 /nfs/dbraw/zinc/24/13/03/515241303.db2.gz WPTMYALQDSKFTL-UHFFFAOYSA-N 0 2 371.426 2.791 20 5 FFBDLN C[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)n1ccc2ccccc2c1=O ZINC000504238684 515250619 /nfs/dbraw/zinc/25/06/19/515250619.db2.gz DPMOODDVIDURGL-NSHDSACASA-N 0 2 353.334 2.815 20 5 FFBDLN Cc1ccc2c(c1C)OC[C@H]2NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000476959156 515264677 /nfs/dbraw/zinc/26/46/77/515264677.db2.gz RFAJSGOXMUCOOJ-CYBMUJFWSA-N 0 2 366.370 2.763 20 5 FFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H](O)Cc1c(F)cccc1Cl ZINC000477706460 515560835 /nfs/dbraw/zinc/56/08/35/515560835.db2.gz XQHXBSALKRMANT-CQSZACIVSA-N 0 2 354.721 2.635 20 5 FFBDLN Cc1ccccc1-c1nc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)no1 ZINC000493320399 515621804 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374.378 2.586 20 5 FFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(CC(C)C)n[nH]1 ZINC000474433657 516044240 /nfs/dbraw/zinc/04/42/40/516044240.db2.gz OWMBRSYLYXXVGL-UHFFFAOYSA-N 0 2 352.416 2.880 20 5 FFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cncc2ccccc21 ZINC000536183635 516667661 /nfs/dbraw/zinc/66/76/61/516667661.db2.gz IOEDUJMCLKXFSQ-UHFFFAOYSA-N 0 2 359.363 2.952 20 5 FFBDLN CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000536299461 516713163 /nfs/dbraw/zinc/71/31/63/516713163.db2.gz HCBRPHFTWDLONH-GFCCVEGCSA-N 0 2 367.427 2.577 20 5 FFBDLN O=C(CCCNC(=O)NC1CCCCC1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000544403746 516743788 /nfs/dbraw/zinc/74/37/88/516743788.db2.gz CGQKHZAGKPFMOE-UHFFFAOYSA-N 0 2 364.402 2.651 20 5 FFBDLN O=[N+]([O-])c1ccc2[nH]nc(NS(=O)(=O)Cc3ccc(F)cc3F)c2c1 ZINC000536767085 516928294 /nfs/dbraw/zinc/92/82/94/516928294.db2.gz JCVZCPATCJZXTQ-UHFFFAOYSA-N 0 2 368.321 2.691 20 5 FFBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCN(c2ccccc2Cl)CC1 ZINC000536852781 516953789 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Cc1noc2ncc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc12 ZINC000462105721 514886737 /nfs/dbraw/zinc/88/67/37/514886737.db2.gz VBTWCPKZWMYNDM-UHFFFAOYSA-N 0 2 368.758 2.894 20 5 FFBDLN CC(=O)N1CCCc2cc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])ccc21 ZINC000509086435 515018202 /nfs/dbraw/zinc/01/82/02/515018202.db2.gz UUQRZQZBEMMGCV-UHFFFAOYSA-N 0 2 355.350 2.852 20 5 FFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc(C3CC3)nc(C)n2)c1 ZINC000485451226 515045261 /nfs/dbraw/zinc/04/52/61/515045261.db2.gz PJJIPWOADSDDKH-UHFFFAOYSA-N 0 2 362.411 2.988 20 5 FFBDLN Cc1cc(C)c(NC(=O)CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c(C)c1 ZINC000503480222 515048892 /nfs/dbraw/zinc/04/88/92/515048892.db2.gz SGOIDNXCYSNDLU-UHFFFAOYSA-N 0 2 357.366 2.594 20 5 FFBDLN Cc1ccc(S(=O)(=O)Nc2cccc3c2OCCC3=O)c([N+](=O)[O-])c1 ZINC000504048764 515205173 /nfs/dbraw/zinc/20/51/73/515205173.db2.gz DQWHPRRDLHPXGP-UHFFFAOYSA-N 0 2 362.363 2.669 20 5 FFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCN(c2ccccc2)C1=O ZINC000490605262 515262263 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2.959 20 5 FFBDLN COc1ccc(F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000507014907 516053623 /nfs/dbraw/zinc/05/36/23/516053623.db2.gz YQSYKLVLEHKWLW-UHFFFAOYSA-N 0 2 356.331 2.552 20 5 FFBDLN CC(C)(C)c1nnc2ccc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)cn21 ZINC000483437553 516091361 /nfs/dbraw/zinc/09/13/61/516091361.db2.gz KIYVIQXANVMROB-UHFFFAOYSA-N 0 2 355.354 2.893 20 5 FFBDLN CC(C)(CO)[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000502088011 516301690 /nfs/dbraw/zinc/30/16/90/516301690.db2.gz KCSBTOWMDCZRQS-MRXNPFEDSA-N 0 2 358.394 2.833 20 5 FFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cnn(-c3ccccn3)c2)c1 ZINC000543642080 516343463 /nfs/dbraw/zinc/34/34/63/516343463.db2.gz OHOVJHLCKDEDGG-UHFFFAOYSA-N 0 2 373.394 2.593 20 5 FFBDLN COC(=O)c1csc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000531854103 516677247 /nfs/dbraw/zinc/67/72/47/516677247.db2.gz XGZBVACZBCCTHS-UHFFFAOYSA-N 0 2 356.381 2.552 20 5 FFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000536300150 516712375 /nfs/dbraw/zinc/71/23/75/516712375.db2.gz CEPDLBBTENHKSZ-OLZOCXBDSA-N 0 2 356.334 2.814 20 5 FFBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2ccncc21 ZINC000532037261 516768248 /nfs/dbraw/zinc/76/82/48/516768248.db2.gz HHGIQOUHGHKWSL-UHFFFAOYSA-N 0 2 359.363 2.952 20 5 FFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2ccncc21 ZINC000532037898 516769477 /nfs/dbraw/zinc/76/94/77/516769477.db2.gz KZBVJMJWOALILC-UHFFFAOYSA-N 0 2 359.363 2.952 20 5 FFBDLN Cc1[nH+]c2cc(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)ccc2n1C ZINC000532260488 516878103 /nfs/dbraw/zinc/87/81/03/516878103.db2.gz ORERETBOMMTLIB-UHFFFAOYSA-N 0 2 354.322 2.740 20 5 FFBDLN O=C(CCCc1ccc2c(c1)CC(=O)N2)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000548518685 517029804 /nfs/dbraw/zinc/02/98/04/517029804.db2.gz SXPKIAQHMBMRKY-UHFFFAOYSA-N 0 2 355.350 2.756 20 5 FFBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cccn(Cc2ccccc2)c1=O ZINC000548518717 517030221 /nfs/dbraw/zinc/03/02/21/517030221.db2.gz GQPBIHXRCQMMQJ-UHFFFAOYSA-N 0 2 365.345 2.763 20 5 FFBDLN CC(C)(C)n1cnc(=NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)[nH]1 ZINC000541509336 517084767 /nfs/dbraw/zinc/08/47/67/517084767.db2.gz YJWMKSZYNGMWIC-UHFFFAOYSA-N 0 2 358.402 2.560 20 5 FFBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000552453323 517267200 /nfs/dbraw/zinc/26/72/00/517267200.db2.gz NXKCRFCTYGONKC-KBPBESRZSA-N 0 2 353.378 2.509 20 5 FFBDLN CN(Cc1nc(-c2cccs2)no1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000552706409 517358637 /nfs/dbraw/zinc/35/86/37/517358637.db2.gz IFJQZSCCWKLIHD-UHFFFAOYSA-N 0 2 360.351 2.684 20 5 FFBDLN Cc1ccc(S(=O)(=O)Nc2ncn(C3CCCCC3)n2)c([N+](=O)[O-])c1 ZINC000542220734 517444803 /nfs/dbraw/zinc/44/48/03/517444803.db2.gz HRDPAFDTMLWQRH-UHFFFAOYSA-N 0 2 365.415 2.801 20 5 FFBDLN COCc1ccccc1CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000520782811 517511231 /nfs/dbraw/zinc/51/12/31/517511231.db2.gz HETMCMLVXZNDKU-UHFFFAOYSA-N 0 2 366.395 2.692 20 5 FFBDLN C[C@H](c1cccc(F)c1)[NH+]1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000563206291 517734084 /nfs/dbraw/zinc/73/40/84/517734084.db2.gz HVHKDUTVGPOQBY-GFCCVEGCSA-N 0 2 374.372 2.710 20 5 FFBDLN O=C(NCc1nccn1CCc1ccccc1)c1cccc(O)c1[N+](=O)[O-] ZINC000539482948 518070200 /nfs/dbraw/zinc/07/02/00/518070200.db2.gz PCLAHDZLYOMVCM-UHFFFAOYSA-N 0 2 366.377 2.670 20 5 FFBDLN C[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000539489428 518072383 /nfs/dbraw/zinc/07/23/83/518072383.db2.gz CYQQPJOSUWUOKC-LBPRGKRZSA-N 0 2 352.350 2.977 20 5 FFBDLN O=C([O-])c1cccc(OCC[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000584850533 518507755 /nfs/dbraw/zinc/50/77/55/518507755.db2.gz YARVJRYQYFQAOL-UHFFFAOYSA-N 0 2 358.350 2.566 20 5 FFBDLN O=C([O-])c1cccc(OCC[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000584850533 518507765 /nfs/dbraw/zinc/50/77/65/518507765.db2.gz YARVJRYQYFQAOL-UHFFFAOYSA-N 0 2 358.350 2.566 20 5 FFBDLN C[N@@H+]1CCc2nc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])sc2C1 ZINC000573252141 518576976 /nfs/dbraw/zinc/57/69/76/518576976.db2.gz NIGRXVPSNRENFB-UHFFFAOYSA-N 0 2 368.802 2.651 20 5 FFBDLN C[N@H+]1CCc2nc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])sc2C1 ZINC000573252141 518576985 /nfs/dbraw/zinc/57/69/85/518576985.db2.gz NIGRXVPSNRENFB-UHFFFAOYSA-N 0 2 368.802 2.651 20 5 FFBDLN O=C(NCC1(CO)CC(c2ccccc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000583421054 519235997 /nfs/dbraw/zinc/23/59/97/519235997.db2.gz WTTHTDWBSYEOTM-UHFFFAOYSA-N 0 2 356.378 2.587 20 5 FFBDLN O=C(Nc1ccnc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1O ZINC000590552003 519262281 /nfs/dbraw/zinc/26/22/81/519262281.db2.gz WFAKQJIJDKUXJY-UHFFFAOYSA-N 0 2 357.244 2.889 20 5 FFBDLN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H]1C(=O)OC(C)(C)C ZINC000572123736 519456025 /nfs/dbraw/zinc/45/60/25/519456025.db2.gz WJNPCZLZMRAHAW-WCQYABFASA-N 0 2 364.398 2.740 20 5 FFBDLN CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(=O)OC(C)(C)C ZINC000594391514 519935819 /nfs/dbraw/zinc/93/58/19/519935819.db2.gz CPYDGNGDDBWPIF-GFCCVEGCSA-N 0 2 352.387 2.644 20 5 FFBDLN C[C@@H](NC(=O)N=c1ncn(Cc2ccccc2)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000608840932 520142958 /nfs/dbraw/zinc/14/29/58/520142958.db2.gz GOOKYOLLWQHEOX-CYBMUJFWSA-N 0 2 366.381 2.539 20 5 FFBDLN O=C(N[C@@H](c1cccs1)C1(CO)CCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000597849815 520279907 /nfs/dbraw/zinc/27/99/07/520279907.db2.gz AVJACVUVRAQZMT-HNNXBMFYSA-N 0 2 362.407 2.996 20 5 FFBDLN COc1ccc(S(=O)(=O)Nc2[nH]nc(C(C)C)c2C)cc1[N+](=O)[O-] ZINC000592385238 520363800 /nfs/dbraw/zinc/36/38/00/520363800.db2.gz VSGFXWPNKYEYSJ-UHFFFAOYSA-N 0 2 354.388 2.559 20 5 FFBDLN Cc1n[nH]c(C)c1[NH+]=c1[n-]nc(CSc2ccccc2[N+](=O)[O-])n1C ZINC000592397461 520368866 /nfs/dbraw/zinc/36/88/66/520368866.db2.gz LKGHGNRQKFFHRG-UHFFFAOYSA-N 0 2 359.415 2.521 20 5 FFBDLN COc1ccc(S(=O)(=O)Nc2ccc3ccccc3n2)cc1[N+](=O)[O-] ZINC000609720445 520413966 /nfs/dbraw/zinc/41/39/66/520413966.db2.gz RLUPALMRFGBXJJ-UHFFFAOYSA-N 0 2 359.363 2.952 20 5 FFBDLN O=C([O-])c1cnn(C2CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000592981428 520669705 /nfs/dbraw/zinc/66/97/05/520669705.db2.gz ZWRXEYOPICRUMM-UHFFFAOYSA-N 0 2 367.365 2.879 20 5 FFBDLN O=C([O-])[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000598660696 520769881 /nfs/dbraw/zinc/76/98/81/520769881.db2.gz DFVZVEDJENZRRU-INIZCTEOSA-N 0 2 372.381 2.544 20 5 FFBDLN Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)[nH]n2)c(C)c1[N+](=O)[O-] ZINC000598712848 520803813 /nfs/dbraw/zinc/80/38/13/520803813.db2.gz LDTCCZUZYRYSBM-UHFFFAOYSA-N 0 2 364.305 2.754 20 5 FFBDLN CCCc1nnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)s1 ZINC000598733922 520815159 /nfs/dbraw/zinc/81/51/59/520815159.db2.gz GFIIVBKDNVLGGH-UHFFFAOYSA-N 0 2 356.429 2.816 20 5 FFBDLN Cc1ccc(S(=O)(=O)Nc2nnc(CC(C)(C)C)o2)c(C)c1[N+](=O)[O-] ZINC000598735209 520817149 /nfs/dbraw/zinc/81/71/49/520817149.db2.gz UAUVQCBPIQQNNC-UHFFFAOYSA-N 0 2 368.415 2.984 20 5 FFBDLN COc1cc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596124311 520927740 /nfs/dbraw/zinc/92/77/40/520927740.db2.gz VHDOUZRMXUIRQV-GFCCVEGCSA-N 0 2 368.865 2.837 20 5 FFBDLN O=c1[nH]nc(C2CCN(c3c(Br)cccc3[N+](=O)[O-])CC2)[nH]1 ZINC000596221435 520977102 /nfs/dbraw/zinc/97/71/02/520977102.db2.gz CMMLRSMRJLFDBT-UHFFFAOYSA-N 0 2 368.191 2.565 20 5 FFBDLN Cc1c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[nH]nc1C(F)(F)F ZINC000611101918 520985240 /nfs/dbraw/zinc/98/52/40/520985240.db2.gz PDLCZZNOJFBHDS-UHFFFAOYSA-N 0 2 364.305 2.754 20 5 FFBDLN Cc1c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n[nH]c1C(F)(F)F ZINC000611101918 520985246 /nfs/dbraw/zinc/98/52/46/520985246.db2.gz PDLCZZNOJFBHDS-UHFFFAOYSA-N 0 2 364.305 2.754 20 5 FFBDLN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCOC3)c([N+](=O)[O-])s1 ZINC000601977055 521052150 /nfs/dbraw/zinc/05/21/50/521052150.db2.gz KCFPTXLPHMCDIU-UHFFFAOYSA-N 0 2 354.409 2.838 20 5 FFBDLN CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 ZINC000593597225 521099009 /nfs/dbraw/zinc/09/90/09/521099009.db2.gz VZXJCIVBCFJATK-WDEREUQCSA-N 0 2 350.371 2.997 20 5 FFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nnc(CC(C)(C)C)o2)c1 ZINC000618611728 521143864 /nfs/dbraw/zinc/14/38/64/521143864.db2.gz COEGTTQBNMXKHU-UHFFFAOYSA-N 0 2 368.415 2.984 20 5 FFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2c(C)n[nH]c2c1 ZINC000619467797 521583306 /nfs/dbraw/zinc/58/33/06/521583306.db2.gz FRSDPPRVQAZGNS-UHFFFAOYSA-N 0 2 362.367 2.589 20 5 FFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000619467797 521583310 /nfs/dbraw/zinc/58/33/10/521583310.db2.gz FRSDPPRVQAZGNS-UHFFFAOYSA-N 0 2 362.367 2.589 20 5 FFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2ccncc21 ZINC000619467874 521583487 /nfs/dbraw/zinc/58/34/87/521583487.db2.gz KDGQKWCYFIKVSK-UHFFFAOYSA-N 0 2 359.363 2.952 20 5 FFBDLN CCOCc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c1 ZINC000619467155 521583816 /nfs/dbraw/zinc/58/38/16/521583816.db2.gz QHWZMTWWDCMZOS-UHFFFAOYSA-N 0 2 366.395 2.941 20 5 FFBDLN O=C(N=c1ccc(C2CC2)n[nH]1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000523846137 562220796 /nfs/dbraw/zinc/22/07/96/562220796.db2.gz YVEHFJIQYRFQFS-UHFFFAOYSA-N 0 2 350.338 2.700 20 5 FFBDLN O=C([O-])NC[C@@H]1CCC[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000834220907 605617132 /nfs/dbraw/zinc/61/71/32/605617132.db2.gz OEAHJFFJKFHOMU-VIFPVBQESA-N 0 2 358.192 2.589 20 5 FFBDLN O=C([O-])NC[C@@H]1CCC[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000834220907 605617136 /nfs/dbraw/zinc/61/71/36/605617136.db2.gz OEAHJFFJKFHOMU-VIFPVBQESA-N 0 2 358.192 2.589 20 5 FFBDLN Cc1ncccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000745996532 735456865 /nfs/dbraw/zinc/45/68/65/735456865.db2.gz ZVSRQOCPWYEGKK-UHFFFAOYSA-N 0 2 372.200 2.862 20 5 FFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cncc(Br)c2)cs1 ZINC000120073262 728605247 /nfs/dbraw/zinc/60/52/47/728605247.db2.gz IWBYLVOGVDOTSC-UHFFFAOYSA-N 0 2 364.202 2.615 20 5 FFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2O)ccc1Br ZINC000120531609 728612411 /nfs/dbraw/zinc/61/24/11/728612411.db2.gz DLDPNEFUBISMQR-UHFFFAOYSA-N 0 2 373.184 2.864 20 5 FFBDLN CC(C)[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccn1 ZINC000736635210 734991339 /nfs/dbraw/zinc/99/13/39/734991339.db2.gz PIKLAOIGVIAQBQ-AWEZNQCLSA-N 0 2 353.375 2.805 20 5 FFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc3nonc32)ccc1Cl ZINC000753013867 736030629 /nfs/dbraw/zinc/03/06/29/736030629.db2.gz AFCSPQQVFLJERH-UHFFFAOYSA-N 0 2 354.731 2.585 20 5 FFBDLN CN(CCCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000753705060 736088125 /nfs/dbraw/zinc/08/81/25/736088125.db2.gz DSTBSLMYEJXVGU-UHFFFAOYSA-N 0 2 353.375 2.886 20 5 FFBDLN COCc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1 ZINC000754952911 736218251 /nfs/dbraw/zinc/21/82/51/736218251.db2.gz CBWUZQFPMUYWNL-UHFFFAOYSA-N 0 2 354.359 2.990 20 5 FFBDLN CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000771886325 737764025 /nfs/dbraw/zinc/76/40/25/737764025.db2.gz CUDZBJJIGBJKQA-UHFFFAOYSA-N 0 2 363.757 2.665 20 5 FFBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cnn(-c2ccc(Cl)cc2)n1 ZINC000776203776 738170265 /nfs/dbraw/zinc/17/02/65/738170265.db2.gz HWIWDIXIJSKIFH-UHFFFAOYSA-N 0 2 359.729 2.787 20 5 FFBDLN C[C@@](O)(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccccc1Cl ZINC000788317485 739232931 /nfs/dbraw/zinc/23/29/31/739232931.db2.gz ZXQKKAADQZPMIJ-MRXNPFEDSA-N 0 2 350.758 2.591 20 5 FFBDLN O=C1OCc2c1cccc2NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000808128548 741191035 /nfs/dbraw/zinc/19/10/35/741191035.db2.gz ZTIAIDKLNJNLFV-UHFFFAOYSA-N 0 2 368.754 2.719 20 5 FFBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccnc(Cl)c1C ZINC000811836445 741566215 /nfs/dbraw/zinc/56/62/15/741566215.db2.gz VRQZVMZMKPEFTN-UHFFFAOYSA-N 0 2 357.775 2.761 20 5 FFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc2c(c1)OCCN2C ZINC000818284507 742258147 /nfs/dbraw/zinc/25/81/47/742258147.db2.gz GKHRLBORLSEILV-UHFFFAOYSA-N 0 2 363.395 2.533 20 5 FFBDLN Cc1cc2c(cc1Br)N(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C[C@@H](C)O2 ZINC000840385764 747081646 /nfs/dbraw/zinc/08/16/46/747081646.db2.gz AMFYZNLTIMGZLG-FXPVBKGRSA-N 0 2 355.188 2.537 20 5 FFBDLN Cc1cc(N2CCC([N@H+](C)CC(F)F)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844211885 747988703 /nfs/dbraw/zinc/98/87/03/747988703.db2.gz JZSCSSLXWVQULW-UHFFFAOYSA-N 0 2 357.357 2.767 20 5 FFBDLN Cc1cc(N2CCC([N@@H+](C)CC(F)F)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844211885 747988707 /nfs/dbraw/zinc/98/87/07/747988707.db2.gz JZSCSSLXWVQULW-UHFFFAOYSA-N 0 2 357.357 2.767 20 5 FFBDLN CC(C)C[C@@H](C(=O)[O-])[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001591428330 992514747 /nfs/dbraw/zinc/51/47/47/992514747.db2.gz CZANZBXLAFGBQQ-ZDUSSCGKSA-N 0 2 357.794 2.618 20 5 FFBDLN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001591428330 992514756 /nfs/dbraw/zinc/51/47/56/992514756.db2.gz CZANZBXLAFGBQQ-ZDUSSCGKSA-N 0 2 357.794 2.618 20 5 FFBDLN COc1cccc([C@](C)(CC(=O)[O-])[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC001599655292 994569890 /nfs/dbraw/zinc/56/98/90/994569890.db2.gz IMNCVWZTURSDQT-SFHVURJKSA-N 0 2 360.366 2.789 20 5 FFBDLN CCCSc1nc(Cl)c([N+](=O)[O-])c(Nc2c[nH]nc2C(=O)OC)n1 ZINC001169571072 1000059501 /nfs/dbraw/zinc/05/95/01/1000059501.db2.gz DNIMUDGZEQRXOE-UHFFFAOYSA-N 0 2 372.794 2.794 20 5 FFBDLN CC(C)(NC(=O)C(F)(F)F)C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001130755914 1004429526 /nfs/dbraw/zinc/42/95/26/1004429526.db2.gz INMWGBBHZDDZMP-UHFFFAOYSA-N 0 2 370.287 2.539 20 5 FFBDLN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)CC2=O)cc1F ZINC000776205113 1005257563 /nfs/dbraw/zinc/25/75/63/1005257563.db2.gz RJOFSCUAWRGVKI-LLVKDONJSA-N 0 2 373.340 2.740 20 5 FFBDLN CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000815877002 1006811441 /nfs/dbraw/zinc/81/14/41/1006811441.db2.gz XLRUFKAMYOFHOV-WQAKAFBOSA-N 0 2 363.370 2.637 20 5 FFBDLN Cc1cc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)c(N)c([N+](=O)[O-])c1 ZINC000113428455 1007402902 /nfs/dbraw/zinc/40/29/02/1007402902.db2.gz KBGTYSOMKPAVCF-UHFFFAOYSA-N 0 2 356.317 2.662 20 5 FFBDLN Cc1ccc(N2CCCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)cc1 ZINC000795397541 1025903677 /nfs/dbraw/zinc/90/36/77/1025903677.db2.gz QJJUZFQBAYPFGS-UHFFFAOYSA-N 0 2 355.394 2.961 20 5 FFBDLN O=C(c1ncc(Br)cc1O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001141367174 1026040805 /nfs/dbraw/zinc/04/08/05/1026040805.db2.gz QQTIUXAYPKTKRP-UHFFFAOYSA-N 0 2 364.155 2.661 20 5 FFBDLN CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC001141714836 1026854009 /nfs/dbraw/zinc/85/40/09/1026854009.db2.gz BKVMRKGECMHZHX-GFCCVEGCSA-N 0 2 371.393 2.759 20 5 FFBDLN CCCOc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c([N+](=O)[O-])cc1OCCC ZINC000841020001 1029983053 /nfs/dbraw/zinc/98/30/53/1029983053.db2.gz QTNUQXZGJOEPSH-ZYHUDNBSSA-N 0 2 367.358 2.776 20 5 FFBDLN CN1C(=O)C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)[C@H]1c1cccc(F)c1 ZINC001138013314 1033555553 /nfs/dbraw/zinc/55/55/53/1033555553.db2.gz LIUWRGSEIKCPPG-SUMWQHHRSA-N 0 2 373.340 2.598 20 5 FFBDLN COc1ccc(OC[C@@H](C)Oc2nc(SC)[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC001227627263 1035645027 /nfs/dbraw/zinc/64/50/27/1035645027.db2.gz DYNAIJPKSVNFPD-SECBINFHSA-N 0 2 367.383 2.667 20 5 FFBDLN COC[C@H](C)OC[C@@H](C)Oc1[nH]c(=O)nc2nc3cc(C)c(C)cc3nc21 ZINC001228685727 1036254384 /nfs/dbraw/zinc/25/43/84/1036254384.db2.gz IEGLLIUDIUWGEL-QWHCGFSZSA-N 0 2 372.425 2.714 20 5 FFBDLN CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](Oc3cc(O)cc(O)c3[N+](=O)[O-])[C@H]2C1 ZINC001228971800 1036440427 /nfs/dbraw/zinc/44/04/27/1036440427.db2.gz RVJACFVZDYKLTL-GAFUQQFSSA-N 0 2 366.370 2.640 20 5 FFBDLN O=c1c2cccc(O)c2oc2cc(O)cc(O[C@H]3CCc4nccn4C3)c12 ZINC001234743106 1037162570 /nfs/dbraw/zinc/16/25/70/1037162570.db2.gz YTCRAAXGNQOBHB-LBPRGKRZSA-N 0 2 364.357 2.948 20 5 FFBDLN O=[N+]([O-])c1cccc(O)c1-c1nc(-c2ccccc2N2CCOCC2)no1 ZINC001216845474 1042142300 /nfs/dbraw/zinc/14/23/00/1042142300.db2.gz QKTQYNDODROPPN-UHFFFAOYSA-N 0 2 368.349 2.854 20 5 FFBDLN O=C(Nc1cc(N2CCOC2=O)ccc1F)c1ccc([N+](=O)[O-])cc1O ZINC001320499986 1045419487 /nfs/dbraw/zinc/41/94/87/1045419487.db2.gz JQIJOMWCTMLWDH-UHFFFAOYSA-N 0 2 361.285 2.648 20 5 FFBDLN Cc1cnc(Cl)c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC001306510476 1052137998 /nfs/dbraw/zinc/13/79/98/1052137998.db2.gz ZIOOONJSPFAZGZ-UHFFFAOYSA-N 0 2 358.745 2.989 20 5 FFBDLN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc2c(c1)OCCO2 ZINC001441958978 1063485067 /nfs/dbraw/zinc/48/50/67/1063485067.db2.gz NMTIYNOFPGNQMI-CQSZACIVSA-N 0 2 358.350 2.953 20 5 FFBDLN COc1ccccc1[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCO1 ZINC001471140779 1064573978 /nfs/dbraw/zinc/57/39/78/1064573978.db2.gz OQQSYATWIJJVFN-QGZVFWFLSA-N 0 2 358.350 2.523 20 5 FFBDLN CC(C)CNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC001557246353 1075826747 /nfs/dbraw/zinc/82/67/47/1075826747.db2.gz BTRPMYHPFWJZHU-UHFFFAOYSA-N 0 2 357.366 2.939 20 5 FFBDLN Cn1cc([C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c2ccc(F)cc2)cn1 ZINC000186795306 251265142 /nfs/dbraw/zinc/26/51/42/251265142.db2.gz OWUQSCYUGWLGPB-QGZVFWFLSA-N 0 2 370.340 2.692 20 5 FFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000291143155 257386824 /nfs/dbraw/zinc/38/68/24/257386824.db2.gz HTRNZMNXNNTQRC-FQEVSTJZSA-N 0 2 370.405 2.758 20 5 FFBDLN O=C(NC[C@@H]1CCN(c2ccccc2F)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000291301481 257396802 /nfs/dbraw/zinc/39/68/02/257396802.db2.gz QXCAGCSYLAYBGI-LBPRGKRZSA-N 0 2 359.357 2.696 20 5 FFBDLN CCn1cnnc1-c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000032096031 506230311 /nfs/dbraw/zinc/23/03/11/506230311.db2.gz JAWYDLGRULTFSG-UHFFFAOYSA-N 0 2 373.394 2.674 20 5 FFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3c(s2)CCCCCC3)s1 ZINC000066333921 506484642 /nfs/dbraw/zinc/48/46/42/506484642.db2.gz CLCLIZNZYFTRFJ-UHFFFAOYSA-N 0 2 373.481 2.995 20 5 FFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C)c(O)c1C ZINC000055616264 506798653 /nfs/dbraw/zinc/79/86/53/506798653.db2.gz WMFBZXNTRIQVGD-UHFFFAOYSA-N 0 2 352.368 2.727 20 5 FFBDLN O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000069396964 507482008 /nfs/dbraw/zinc/48/20/08/507482008.db2.gz YLNMKRIUUGDVPD-LBPRGKRZSA-N 0 2 359.357 2.696 20 5 FFBDLN COc1ccc(S(=O)(=O)Nc2ccccc2-n2cccn2)c([N+](=O)[O-])c1 ZINC000071975909 507732076 /nfs/dbraw/zinc/73/20/76/507732076.db2.gz JPNHBZGRAGYNMT-UHFFFAOYSA-N 0 2 374.378 2.590 20 5 FFBDLN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000080103362 508038343 /nfs/dbraw/zinc/03/83/43/508038343.db2.gz LGFJCAABUZUHFO-NDHGSNPTSA-N 0 2 362.407 2.871 20 5 FFBDLN CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119080931 508721739 /nfs/dbraw/zinc/72/17/39/508721739.db2.gz YFBBMDNBLRIQMZ-UHFFFAOYSA-N 0 2 366.377 2.817 20 5 FFBDLN Cc1n[nH]c2cc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)ccc12 ZINC000119421062 508792873 /nfs/dbraw/zinc/79/28/73/508792873.db2.gz KENBAAMDLMYLOJ-UHFFFAOYSA-N 0 2 352.397 2.950 20 5 FFBDLN CC[C@](C)(NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1nccs1 ZINC000151480566 509025644 /nfs/dbraw/zinc/02/56/44/509025644.db2.gz WKNSREZWMPPUSZ-ZDUSSCGKSA-N 0 2 359.404 2.794 20 5 FFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2nc(C)oc2c1 ZINC000121210573 509150387 /nfs/dbraw/zinc/15/03/87/509150387.db2.gz DKUULQQUWRTJKP-UHFFFAOYSA-N 0 2 363.351 2.854 20 5 FFBDLN COc1cc(S(=O)(=O)Nc2ncc(C(C)C)s2)ccc1[N+](=O)[O-] ZINC000121379505 509170629 /nfs/dbraw/zinc/17/06/29/509170629.db2.gz SLMCILQJTOAHIE-UHFFFAOYSA-N 0 2 357.413 2.984 20 5 FFBDLN Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179509909 509487638 /nfs/dbraw/zinc/48/76/38/509487638.db2.gz DRLNPGFETZCUAO-UHFFFAOYSA-N 0 2 371.393 2.693 20 5 FFBDLN CCn1nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1C1CC1 ZINC000267496486 509516197 /nfs/dbraw/zinc/51/61/97/509516197.db2.gz XRHCWDYRRQMYRO-UHFFFAOYSA-N 0 2 350.400 2.798 20 5 FFBDLN O=C(Cc1ccn(-c2ccc(F)cc2)n1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166184923 509597984 /nfs/dbraw/zinc/59/79/84/509597984.db2.gz QMPHLBUDMKCRJS-UHFFFAOYSA-N 0 2 356.313 2.806 20 5 FFBDLN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000186674790 509843705 /nfs/dbraw/zinc/84/37/05/509843705.db2.gz DJBPLEKMPOGMQB-UHFFFAOYSA-N 0 2 367.365 2.530 20 5 FFBDLN Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000180347582 509879889 /nfs/dbraw/zinc/87/98/89/509879889.db2.gz XOFGFPHAWJPHKP-UHFFFAOYSA-N 0 2 358.379 2.890 20 5 FFBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000183916928 510036867 /nfs/dbraw/zinc/03/68/67/510036867.db2.gz WGBVNDFPMGUWAI-NSHDSACASA-N 0 2 361.379 2.605 20 5 FFBDLN COc1ccc(S(=O)(=O)Nc2nccn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000193834465 510091799 /nfs/dbraw/zinc/09/17/99/510091799.db2.gz XSOYTWINGWACNR-UHFFFAOYSA-N 0 2 374.378 2.590 20 5 FFBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cc(-c2cccs2)[nH]n1 ZINC000180811029 510122935 /nfs/dbraw/zinc/12/29/35/510122935.db2.gz ALLLNLFHMXDVPO-UHFFFAOYSA-N 0 2 364.408 2.988 20 5 FFBDLN COc1cccc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CCO2)c1 ZINC000268984532 510175086 /nfs/dbraw/zinc/17/50/86/510175086.db2.gz CEUYDFATUZHLJA-KRWDZBQOSA-N 0 2 358.350 2.523 20 5 FFBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cnn(CC3CC3)c2)cc1C ZINC000174768056 510300816 /nfs/dbraw/zinc/30/08/16/510300816.db2.gz ANXDRQMZLSGEFD-UHFFFAOYSA-N 0 2 350.400 2.619 20 5 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FFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000063849937 507775768 /nfs/dbraw/zinc/77/57/68/507775768.db2.gz CEECZMYGZOFGRM-UHFFFAOYSA-N 0 2 350.400 2.792 20 5 FFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000089530850 507845381 /nfs/dbraw/zinc/84/53/81/507845381.db2.gz ZWLVMSOHFZZAFH-LBPRGKRZSA-N 0 2 361.379 2.605 20 5 FFBDLN Cn1nc(CC(C)(C)C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000108639911 507910000 /nfs/dbraw/zinc/91/00/00/507910000.db2.gz UYLDXCXBGBPUPH-UHFFFAOYSA-N 0 2 352.416 2.718 20 5 FFBDLN Cc1[nH+]c2ccccc2n1CCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000073471775 507923407 /nfs/dbraw/zinc/92/34/07/507923407.db2.gz WXPOZJJCTAURKC-UHFFFAOYSA-N 0 2 354.366 2.779 20 5 FFBDLN Cc1cc(N(C)C)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000079268806 507949424 /nfs/dbraw/zinc/94/94/24/507949424.db2.gz BWFVAFKHXPPNEG-UHFFFAOYSA-N 0 2 353.375 2.909 20 5 FFBDLN O=C(NCc1cccc(Br)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000074363606 508016002 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2.594 20 5 FFBDLN O=[N+]([O-])c1ccc2[nH]nc(NS(=O)(=O)Cc3cccc(F)c3)c2c1 ZINC000135530573 508618575 /nfs/dbraw/zinc/61/85/75/508618575.db2.gz YXKBHQIDEPXMTD-UHFFFAOYSA-N 0 2 350.331 2.552 20 5 FFBDLN Cn1c(CCCNC(=O)c2ccc([N+](=O)[O-])cc2O)nc2ccccc21 ZINC000157944041 508636148 /nfs/dbraw/zinc/63/61/48/508636148.db2.gz CMFCTPSZQMHCSZ-UHFFFAOYSA-N 0 2 354.366 2.550 20 5 FFBDLN COc1cccc(N2CCC[C@@H](NC(=O)c3cc(O)ccc3[N+](=O)[O-])C2)c1 ZINC000369490291 512434593 /nfs/dbraw/zinc/43/45/93/512434593.db2.gz AWUZYWIOFFGQJT-CYBMUJFWSA-N 0 2 371.393 2.708 20 5 FFBDLN Cc1cc(C2CC2)nc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)n1 ZINC000191811410 509194789 /nfs/dbraw/zinc/19/47/89/509194789.db2.gz JBTGEGLQPCNNAH-UHFFFAOYSA-N 0 2 362.411 2.988 20 5 FFBDLN Cc1cc(C)c(S(=O)(=O)Nc2cc(-c3ccncc3)n[nH]2)cc1[N+](=O)[O-] ZINC000191905576 509239547 /nfs/dbraw/zinc/23/95/47/509239547.db2.gz FFJCDUDTVMCLRN-UHFFFAOYSA-N 0 2 373.394 2.798 20 5 FFBDLN Cc1cc(C)c(S(=O)(=O)Nc2cc(-c3ccncc3)[nH]n2)cc1[N+](=O)[O-] ZINC000191905576 509239553 /nfs/dbraw/zinc/23/95/53/509239553.db2.gz FFJCDUDTVMCLRN-UHFFFAOYSA-N 0 2 373.394 2.798 20 5 FFBDLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000182542461 509293451 /nfs/dbraw/zinc/29/34/51/509293451.db2.gz UDXPGNDMVJXNFA-UHFFFAOYSA-N 0 2 352.416 2.865 20 5 FFBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ncn(C2CCCCC2)n1 ZINC000182568470 509309678 /nfs/dbraw/zinc/30/96/78/509309678.db2.gz LKLAVBVZUZAXKA-UHFFFAOYSA-N 0 2 365.415 2.801 20 5 FFBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(-c2ccccc2)o1 ZINC000163206947 509352004 /nfs/dbraw/zinc/35/20/04/509352004.db2.gz NYIHKLAXXPBMRI-UHFFFAOYSA-N 0 2 360.351 2.754 20 5 FFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCN(c2cc(F)ccc2F)CC1 ZINC000176221772 509386449 /nfs/dbraw/zinc/38/64/49/509386449.db2.gz UUPRCJQABRQXKC-UHFFFAOYSA-N 0 2 363.320 2.541 20 5 FFBDLN Cc1nc(NS(=O)(=O)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000165242510 509563185 /nfs/dbraw/zinc/56/31/85/509563185.db2.gz ZUWHIXQHKYBIGR-UHFFFAOYSA-N 0 2 372.200 2.862 20 5 FFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000179834514 509643954 /nfs/dbraw/zinc/64/39/54/509643954.db2.gz QAUQJRWWBGRASP-UHFFFAOYSA-N 0 2 373.394 2.743 20 5 FFBDLN CCCc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)s1 ZINC000183196371 509652555 /nfs/dbraw/zinc/65/25/55/509652555.db2.gz WRXGRIWYGBLAES-UHFFFAOYSA-N 0 2 357.413 2.813 20 5 FFBDLN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183346250 509729124 /nfs/dbraw/zinc/72/91/24/509729124.db2.gz RIRQVUBSESEZAR-UHFFFAOYSA-N 0 2 355.350 2.789 20 5 FFBDLN Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(O[C@@H]2CCOC2)c1 ZINC000268438678 509929784 /nfs/dbraw/zinc/92/97/84/509929784.db2.gz OPTDYOOCRVJXJV-OAHLLOKOSA-N 0 2 372.377 2.707 20 5 FFBDLN Cc1ccc(CN2C[C@H](C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)CC2=O)cc1 ZINC000183900078 510028358 /nfs/dbraw/zinc/02/83/58/510028358.db2.gz RZRVJJFQEXZYJX-CQSZACIVSA-N 0 2 369.377 2.596 20 5 FFBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CCCCC1=O ZINC000183919148 510038866 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COc1cc(NCc2nnc(COc3ccccc3)[nH]2)ccc1[N+](=O)[O-] ZINC000184777948 510511969 /nfs/dbraw/zinc/51/19/69/510511969.db2.gz QMVCTAUIKFWICP-UHFFFAOYSA-N 0 2 355.354 2.913 20 5 FFBDLN CN(Cc1cc(Br)cn1C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184865753 510553813 /nfs/dbraw/zinc/55/38/13/510553813.db2.gz DOBKUIIZARNUIZ-UHFFFAOYSA-N 0 2 368.187 2.674 20 5 FFBDLN Cc1ccc(C)c(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)c1 ZINC000184872353 510557023 /nfs/dbraw/zinc/55/70/23/510557023.db2.gz ZJPSBTUOHIIMEK-UHFFFAOYSA-N 0 2 355.394 2.880 20 5 FFBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1n[nH]c2c1CCCCC2 ZINC000188143082 510614552 /nfs/dbraw/zinc/61/45/52/510614552.db2.gz ORNLENKXHLTWSV-UHFFFAOYSA-N 0 2 367.369 2.624 20 5 FFBDLN COc1ccc2c(c1)[nH]nc2NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000195001289 510625929 /nfs/dbraw/zinc/62/59/29/510625929.db2.gz IJORKXAYRCVIAQ-UHFFFAOYSA-N 0 2 362.367 2.589 20 5 FFBDLN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182073644 510740573 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FFBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cnc(OCc2ccccc2)cn1 ZINC000430090827 513549350 /nfs/dbraw/zinc/54/93/50/513549350.db2.gz PKWHDGGNYNTWMW-UHFFFAOYSA-N 0 2 366.333 2.922 20 5 FFBDLN Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)nn1[C@@H](C)C1CC1 ZINC000442243648 513689871 /nfs/dbraw/zinc/68/98/71/513689871.db2.gz WCYSTXCXQVAVEO-NSHDSACASA-N 0 2 350.400 2.872 20 5 FFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000430620786 513704625 /nfs/dbraw/zinc/70/46/25/513704625.db2.gz BZUWSIAILQYFBO-UHFFFAOYSA-N 0 2 364.314 2.585 20 5 FFBDLN CCSc1nnc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])s1 ZINC000431337237 513877395 /nfs/dbraw/zinc/87/73/95/513877395.db2.gz IGWAIEFRPZNISL-UHFFFAOYSA-N 0 2 374.469 2.976 20 5 FFBDLN O=C(NCCc1cc(C(F)(F)F)ccn1)c1cc([N+](=O)[O-])ccc1O ZINC000436525572 513885338 /nfs/dbraw/zinc/88/53/38/513885338.db2.gz GQWNZBQOIRFSTR-UHFFFAOYSA-N 0 2 355.272 2.687 20 5 FFBDLN O=C(NC[C@@H]1CCN(c2ccccc2F)C1)c1ccc([N+](=O)[O-])cc1O ZINC000436639865 513927753 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CCOC(=O)CN(CCc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436962454 514053112 /nfs/dbraw/zinc/05/31/12/514053112.db2.gz FEVIIBFDHMPLNW-UHFFFAOYSA-N 0 2 372.377 2.548 20 5 FFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC(OCCCOc2ccccc2)C1 ZINC000436985224 514064068 /nfs/dbraw/zinc/06/40/68/514064068.db2.gz DNXQRDZHPYYKKQ-UHFFFAOYSA-N 0 2 372.377 2.611 20 5 FFBDLN Cc1cc(S(=O)(=O)Nc2cccc3c2OCCO3)c(C)cc1[N+](=O)[O-] ZINC000414386472 514083953 /nfs/dbraw/zinc/08/39/53/514083953.db2.gz XJJPSPHYWJRCND-UHFFFAOYSA-N 0 2 364.379 2.784 20 5 FFBDLN Cc1cc(S(=O)(=O)Nc2cnc(C)nc2C2CC2)c(C)cc1[N+](=O)[O-] ZINC000414458379 514129923 /nfs/dbraw/zinc/12/99/23/514129923.db2.gz UJBKXOYXZTWRNW-UHFFFAOYSA-N 0 2 362.411 2.988 20 5 FFBDLN CC(C)[C@@H](CC(F)(F)F)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000445699978 514507225 /nfs/dbraw/zinc/50/72/25/514507225.db2.gz PWZGHSITPXINBF-SECBINFHSA-N 0 2 358.313 2.989 20 5 FFBDLN COC(=O)c1cc(NS(=O)(=O)c2c(C)cccc2F)cc([N+](=O)[O-])c1 ZINC000479479321 514598321 /nfs/dbraw/zinc/59/83/21/514598321.db2.gz JBOVUGVPAALIBA-UHFFFAOYSA-N 0 2 368.342 2.630 20 5 FFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(-c3ccccn3)s2)s1 ZINC000508093410 514663917 /nfs/dbraw/zinc/66/39/17/514663917.db2.gz DFYBXFHMELLPQU-UHFFFAOYSA-N 0 2 368.421 2.976 20 5 FFBDLN O=C(NCCc1cccc(C(F)(F)F)n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000489195622 514748087 /nfs/dbraw/zinc/74/80/87/514748087.db2.gz IBLXKLXKWWYSRH-UHFFFAOYSA-N 0 2 355.272 2.687 20 5 FFBDLN COC(=O)c1ccccc1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000480193659 514871532 /nfs/dbraw/zinc/87/15/32/514871532.db2.gz GMHZUBISLPVHRH-UHFFFAOYSA-N 0 2 364.379 2.799 20 5 FFBDLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1C ZINC000480196916 514876177 /nfs/dbraw/zinc/87/61/77/514876177.db2.gz MWZUJQDBCCZKSB-SNVBAGLBSA-N 0 2 368.415 2.880 20 5 FFBDLN CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1C ZINC000480247256 514895257 /nfs/dbraw/zinc/89/52/57/514895257.db2.gz ZTXMFJMEXOVUGH-JTQLQIEISA-N 0 2 368.415 2.880 20 5 FFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1CCC(OC[C@H]2CCCO2)CC1 ZINC000490607729 515261193 /nfs/dbraw/zinc/26/11/93/515261193.db2.gz QIPLLPSBFWZGGI-PESDSKBTSA-N 0 2 364.398 2.993 20 5 FFBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCN(C/C=C/c2ccccc2)CC1 ZINC000504602526 515337406 /nfs/dbraw/zinc/33/74/06/515337406.db2.gz YJCVOKZLQDNGAY-QPJJXVBHSA-N 0 2 367.405 2.772 20 5 FFBDLN Cc1c(NC(=O)[C@@H](C)Sc2n[n-]c(=[NH2+])n2C(C)C)cccc1[N+](=O)[O-] ZINC000463240471 515415229 /nfs/dbraw/zinc/41/52/29/515415229.db2.gz QUCLIAHLQJSTRJ-SNVBAGLBSA-N 0 2 364.431 2.607 20 5 FFBDLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1cc([N+](=O)[O-])n[nH]1 ZINC000505287294 515496592 /nfs/dbraw/zinc/49/65/92/515496592.db2.gz JPBDHDSMQJAYHQ-UHFFFAOYSA-N 0 2 368.140 2.662 20 5 FFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cnn(C(C)(C)C)c1 ZINC000481971512 515532348 /nfs/dbraw/zinc/53/23/48/515532348.db2.gz KQWMTDRMMGDEBG-UHFFFAOYSA-N 0 2 352.416 2.964 20 5 FFBDLN Cc1cc(C)c(S(=O)(=O)Nc2cc(CC(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000493034059 515589810 /nfs/dbraw/zinc/58/98/10/515589810.db2.gz PUGUHWMFQZREMF-UHFFFAOYSA-N 0 2 352.416 2.934 20 5 FFBDLN CCc1ncsc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463796711 515618369 /nfs/dbraw/zinc/61/83/69/515618369.db2.gz HBAXHJYAEIQALQ-UHFFFAOYSA-N 0 2 364.408 2.963 20 5 FFBDLN O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469557779 515865290 /nfs/dbraw/zinc/86/52/90/515865290.db2.gz BVAFJXGAZZKZIV-UHFFFAOYSA-N 0 2 374.368 2.918 20 5 FFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cnc(C(C)C)nc2)c1C ZINC000478690816 515927705 /nfs/dbraw/zinc/92/77/05/515927705.db2.gz YRDOGCZERSKXIW-UHFFFAOYSA-N 0 2 350.400 2.926 20 5 FFBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)cc1 ZINC000539954131 516371930 /nfs/dbraw/zinc/37/19/30/516371930.db2.gz BUADBWUQSOASRW-UHFFFAOYSA-N 0 2 358.379 2.640 20 5 FFBDLN O=C([O-])c1cc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000554538300 516494134 /nfs/dbraw/zinc/49/41/34/516494134.db2.gz CBTNWPBGMHPYEG-GOSISDBHSA-N 0 2 371.393 2.778 20 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PMWMSYYISBAKKI-RDJZCZTQSA-N 0 2 371.393 2.849 20 5 FFBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H](C1CC1)C(F)(F)F ZINC000571558149 519156604 /nfs/dbraw/zinc/15/66/04/519156604.db2.gz KHMZRMUIOJKOEZ-JTQLQIEISA-N 0 2 358.725 2.867 20 5 FFBDLN COc1ccc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])cc1OC(F)F ZINC000568845440 519243236 /nfs/dbraw/zinc/24/32/36/519243236.db2.gz AQCLLHHDBGHMMR-UHFFFAOYSA-N 0 2 368.292 2.840 20 5 FFBDLN CC(C)Oc1ccc(=NCc2cc([N+](=O)[O-])ccc2OC(F)F)[nH]n1 ZINC000571816111 519289000 /nfs/dbraw/zinc/28/90/00/519289000.db2.gz AEAQHFHCEUWDFN-UHFFFAOYSA-N 0 2 354.313 2.807 20 5 FFBDLN Cc1cc(N2CC[C@H](C)[C@@H](C(=O)[O-])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000580952730 519446285 /nfs/dbraw/zinc/44/62/85/519446285.db2.gz ROVJNLHDLJLYIY-NHYWBVRUSA-N 0 2 356.382 2.907 20 5 FFBDLN CC(C)(C)OC(=O)CCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000566404711 519473437 /nfs/dbraw/zinc/47/34/37/519473437.db2.gz UNSTZOORHZTSKF-UHFFFAOYSA-N 0 2 352.387 2.931 20 5 FFBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccnn2CCc2ccccc2)c1 ZINC000566600000 519569407 /nfs/dbraw/zinc/56/94/07/519569407.db2.gz LYTFDPIXDUFXSO-UHFFFAOYSA-N 0 2 372.406 2.835 20 5 FFBDLN COC(=O)c1c(F)cccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000609218908 520235623 /nfs/dbraw/zinc/23/56/23/520235623.db2.gz KGFLEGLHAKOBSV-UHFFFAOYSA-N 0 2 368.342 2.630 20 5 FFBDLN CO[C@](C)(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])COCc1ccccc1 ZINC000597994385 520365900 /nfs/dbraw/zinc/36/59/00/520365900.db2.gz WUEGQWFQWHFWFJ-LJQANCHMSA-N 0 2 374.393 2.652 20 5 FFBDLN COCCn1ncc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc21 ZINC000613910678 520724872 /nfs/dbraw/zinc/72/48/72/520724872.db2.gz QYSABXUSIOWTSQ-UHFFFAOYSA-N 0 2 356.338 2.549 20 5 FFBDLN COCc1cnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)s1 ZINC000598733960 520815220 /nfs/dbraw/zinc/81/52/20/520815220.db2.gz GXGWINFGLZVQHB-UHFFFAOYSA-N 0 2 357.413 2.615 20 5 FFBDLN Cc1ccc(S(=O)(=O)Nc2nnc(C(C)C)s2)c(C)c1[N+](=O)[O-] ZINC000598734276 520815671 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2.727 20 5 FFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(CC(C)(C)C)n[nH]1 ZINC000619507260 521602311 /nfs/dbraw/zinc/60/23/11/521602311.db2.gz VRRWLUZARGRBKR-UHFFFAOYSA-N 0 2 368.415 2.716 20 5 FFBDLN COC(=O)c1sccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000619567543 521772583 /nfs/dbraw/zinc/77/25/83/521772583.db2.gz MSAUAWQHARJZAL-UHFFFAOYSA-N 0 2 356.381 2.552 20 5 FFBDLN COc1ccc(F)cc1NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000132715190 728725142 /nfs/dbraw/zinc/72/51/42/728725142.db2.gz UNUMCJPDHXGKHY-UHFFFAOYSA-N 0 2 358.322 2.991 20 5 FFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cnn(CC3CC3)c2)ccc1Cl ZINC000174769194 729078763 /nfs/dbraw/zinc/07/87/63/729078763.db2.gz DYCDNDIAYMXILH-UHFFFAOYSA-N 0 2 356.791 2.656 20 5 FFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc2c(s1)CCCC2 ZINC000193178648 729470769 /nfs/dbraw/zinc/47/07/69/729470769.db2.gz AQOYNTPZHAALQG-UHFFFAOYSA-N 0 2 369.424 2.740 20 5 FFBDLN COCc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000766580471 737244600 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FFBDLN C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000132453297 509033911 /nfs/dbraw/zinc/03/39/11/509033911.db2.gz ZNTUCPUAFRHKSE-CYBMUJFWSA-N 0 2 373.384 2.959 20 5 FFBDLN Cc1cc(S(=O)(=O)Nc2cccc3c2OCC[C@@H]3O)ccc1[N+](=O)[O-] ZINC000375646177 512435728 /nfs/dbraw/zinc/43/57/28/512435728.db2.gz AUWVFQLYJGZJMD-HNNXBMFYSA-N 0 2 364.379 2.520 20 5 FFBDLN COc1cc(S(=O)(=O)Nc2nc(C(C)C)cs2)ccc1[N+](=O)[O-] ZINC000121299398 509164557 /nfs/dbraw/zinc/16/45/57/509164557.db2.gz GXBLFHCHZVOMKQ-UHFFFAOYSA-N 0 2 357.413 2.984 20 5 FFBDLN CCc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)sc1C ZINC000121314029 509165575 /nfs/dbraw/zinc/16/55/75/509165575.db2.gz VGUSGPGNCJKGGN-UHFFFAOYSA-N 0 2 357.413 2.732 20 5 FFBDLN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ncn(C2CCCCC2)n1 ZINC000182566139 509307776 /nfs/dbraw/zinc/30/77/76/509307776.db2.gz WYKMQNNBHJNHKR-UHFFFAOYSA-N 0 2 369.378 2.631 20 5 FFBDLN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1n[nH]c2cccc(F)c21 ZINC000182724648 509394333 /nfs/dbraw/zinc/39/43/33/509394333.db2.gz XUMWIJTVMPBLSH-UHFFFAOYSA-N 0 2 364.358 2.595 20 5 FFBDLN Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n(-c2ccccn2)n1 ZINC000171147699 509969595 /nfs/dbraw/zinc/96/95/95/509969595.db2.gz QDKMFWDIGRLVJF-UHFFFAOYSA-N 0 2 373.394 2.593 20 5 FFBDLN CCOc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c(C)c1 ZINC000183892822 510025463 /nfs/dbraw/zinc/02/54/63/510025463.db2.gz KHQJASDSGIUBFC-UHFFFAOYSA-N 0 2 351.384 2.806 20 5 FFBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CCCCC1=O ZINC000183919130 510038369 /nfs/dbraw/zinc/03/83/69/510038369.db2.gz ZFCASIHFNDTEFS-SFHVURJKSA-N 0 2 369.377 2.993 20 5 FFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000171342027 510092328 /nfs/dbraw/zinc/09/23/28/510092328.db2.gz SMYSYJLXPGYYGH-JTQLQIEISA-N 0 2 366.399 2.572 20 5 FFBDLN Cc1ccc(-n2cccn2)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000190405575 510112646 /nfs/dbraw/zinc/11/26/46/510112646.db2.gz LDSGGANEBONHJL-UHFFFAOYSA-N 0 2 358.379 2.890 20 5 FFBDLN CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000194053516 510194770 /nfs/dbraw/zinc/19/47/70/510194770.db2.gz CZBXOKKEIIXOCY-UHFFFAOYSA-N 0 2 371.393 2.966 20 5 FFBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000187730607 510404908 /nfs/dbraw/zinc/40/49/08/510404908.db2.gz XQIMUAATMNFROV-LLVKDONJSA-N 0 2 350.400 2.872 20 5 FFBDLN Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc([N+](=O)[O-])ccc2O)c(C)c1 ZINC000194745242 510507049 /nfs/dbraw/zinc/50/70/49/510507049.db2.gz VDYWFFXVAANXPM-UHFFFAOYSA-N 0 2 371.393 2.936 20 5 FFBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc2c(c1)CCC(=O)N2 ZINC000194748107 510509853 /nfs/dbraw/zinc/50/98/53/510509853.db2.gz BRTZUJSZUMYDQT-SNVBAGLBSA-N 0 2 355.350 2.676 20 5 FFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nnc(CCC(C)C)o1 ZINC000194875921 510571171 /nfs/dbraw/zinc/57/11/71/510571171.db2.gz USXFGIQDVTVOTE-UHFFFAOYSA-N 0 2 354.388 2.676 20 5 FFBDLN O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000181924858 510663145 /nfs/dbraw/zinc/66/31/45/510663145.db2.gz LYIBZRLZYQVJTI-LBPRGKRZSA-N 0 2 359.357 2.696 20 5 FFBDLN O=C(Nc1ccccc1N1CCC(O)CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000283025776 511204601 /nfs/dbraw/zinc/20/46/01/511204601.db2.gz MJSFJYFYLWXUMU-UHFFFAOYSA-N 0 2 357.366 2.514 20 5 FFBDLN CO[C@H](C)CS(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000295001374 511248899 /nfs/dbraw/zinc/24/88/99/511248899.db2.gz DDWXHMBDNAHRIF-SECBINFHSA-N 0 2 371.440 2.803 20 5 FFBDLN C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000295490767 511423299 /nfs/dbraw/zinc/42/32/99/511423299.db2.gz AYUUUQGDINETPF-LLVKDONJSA-N 0 2 367.402 2.724 20 5 FFBDLN COC(=O)c1nc(NC(=O)c2cccc(O)c2[N+](=O)[O-])sc1C(C)C ZINC000293089393 511836402 /nfs/dbraw/zinc/83/64/02/511836402.db2.gz SCXKNODRQWDGRL-UHFFFAOYSA-N 0 2 365.367 2.919 20 5 FFBDLN COc1cccc(Cl)c1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000326569743 511859683 /nfs/dbraw/zinc/85/96/83/511859683.db2.gz VVYMATCGXKMEJK-UHFFFAOYSA-N 0 2 374.777 2.874 20 5 FFBDLN C[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1nc(-c2ccccc2)no1 ZINC000376071448 512646817 /nfs/dbraw/zinc/64/68/17/512646817.db2.gz WZFFQYMSDQQWHK-NSHDSACASA-N 0 2 368.349 2.884 20 5 FFBDLN COc1ccccc1N1CC[C@H](CNC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000370202355 512818885 /nfs/dbraw/zinc/81/88/85/512818885.db2.gz AUUQSNDXKVXZST-CYBMUJFWSA-N 0 2 371.393 2.565 20 5 FFBDLN C[C@@H]1CCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])[C@H]1C(=O)OC(C)(C)C ZINC000425044079 513387242 /nfs/dbraw/zinc/38/72/42/513387242.db2.gz RIDDUPZKUZEPDI-BXUZGUMPSA-N 0 2 364.398 2.883 20 5 FFBDLN COc1ccc(S(=O)(=O)Nc2nc(C3CC3)c(C)o2)c([N+](=O)[O-])c1 ZINC000451058306 513490010 /nfs/dbraw/zinc/49/00/10/513490010.db2.gz VDSASAGNXLSMAE-UHFFFAOYSA-N 0 2 353.356 2.578 20 5 FFBDLN C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000421977572 513501009 /nfs/dbraw/zinc/50/10/09/513501009.db2.gz GDNNQERKZVYUQQ-NWDGAFQWSA-N 0 2 364.398 2.740 20 5 FFBDLN CCCn1ncc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C1CC1 ZINC000451077487 513502414 /nfs/dbraw/zinc/50/24/14/513502414.db2.gz BJNGKIRPCBFZFO-UHFFFAOYSA-N 0 2 350.400 2.880 20 5 FFBDLN CC(C)Nc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cnn(C(C)C)c1 ZINC000451096141 513516059 /nfs/dbraw/zinc/51/60/59/513516059.db2.gz NOOYEVKONZIFBY-UHFFFAOYSA-N 0 2 367.431 2.993 20 5 FFBDLN COc1cccc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)c1[N+](=O)[O-] ZINC000435852838 513699320 /nfs/dbraw/zinc/69/93/20/513699320.db2.gz AOKAJKNGAYLUDZ-UHFFFAOYSA-N 0 2 362.392 2.858 20 5 FFBDLN COC[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000436190138 513789189 /nfs/dbraw/zinc/78/91/89/513789189.db2.gz ZAUTZZVJZNRERS-ZDUSSCGKSA-N 0 2 372.349 2.539 20 5 FFBDLN CCN(Cc1ccc(OC)cc1OC)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436513263 513879921 /nfs/dbraw/zinc/87/99/21/513879921.db2.gz MGUDXTLDWLDIPV-UHFFFAOYSA-N 0 2 360.366 2.980 20 5 FFBDLN COc1ccc(Cn2cc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cn2)cc1 ZINC000436731652 513961472 /nfs/dbraw/zinc/96/14/72/513961472.db2.gz QHVUKQOUVJCUFN-UHFFFAOYSA-N 0 2 368.349 2.806 20 5 FFBDLN O=C(Nc1ccc(F)c(N2CCCNC2=O)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436741785 513962923 /nfs/dbraw/zinc/96/29/23/513962923.db2.gz CSQMEWFSQRUCNP-UHFFFAOYSA-N 0 2 374.328 2.612 20 5 FFBDLN COC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1cc(C)cc(C)c1 ZINC000436825494 513997829 /nfs/dbraw/zinc/99/78/29/513997829.db2.gz LEIOLYRYBKBIRO-MRXNPFEDSA-N 0 2 358.350 2.561 20 5 FFBDLN COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436891979 514023443 /nfs/dbraw/zinc/02/34/43/514023443.db2.gz JLZAYUJBLADZHJ-AWEZNQCLSA-N 0 2 372.377 2.595 20 5 FFBDLN CCOC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000436965172 514052534 /nfs/dbraw/zinc/05/25/34/514052534.db2.gz SJBIFDTYALHOBF-HNNXBMFYSA-N 0 2 358.350 2.725 20 5 FFBDLN CCOC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000436968136 514054718 /nfs/dbraw/zinc/05/47/18/514054718.db2.gz SPJOJAMFZWAMGK-HNNXBMFYSA-N 0 2 358.350 2.725 20 5 FFBDLN Cc1nn(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1C(F)F 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370.321 2.540 20 5 FFBDLN CCN(C(=O)Cc1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1)c1ccccc1 ZINC000445673779 514504746 /nfs/dbraw/zinc/50/47/46/514504746.db2.gz QFOBJEUAIJCMRQ-UHFFFAOYSA-N 0 2 368.349 2.946 20 5 FFBDLN COc1ccccc1OC[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000497676281 514590391 /nfs/dbraw/zinc/59/03/91/514590391.db2.gz KSDYTXGWBCPVPM-LBPRGKRZSA-N 0 2 360.366 2.754 20 5 FFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(F)cc(F)c1OC ZINC000471119947 514761682 /nfs/dbraw/zinc/76/16/82/514761682.db2.gz BIZGNHIBAZJMBS-UHFFFAOYSA-N 0 2 374.321 2.691 20 5 FFBDLN COC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1C ZINC000466977017 514847204 /nfs/dbraw/zinc/84/72/04/514847204.db2.gz ZACMXTMYPUJUJQ-UHFFFAOYSA-N 0 2 370.408 2.861 20 5 FFBDLN COC(=O)c1cccc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000480732896 515062989 /nfs/dbraw/zinc/06/29/89/515062989.db2.gz STUOLEJYGQOXEM-UHFFFAOYSA-N 0 2 364.379 2.799 20 5 FFBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 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ZINC000559254474 517134586 /nfs/dbraw/zinc/13/45/86/517134586.db2.gz IGIZWJNDCKCUQT-UHFFFAOYSA-N 0 2 367.365 2.965 20 5 FFBDLN O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(Cl)c1O ZINC000533182516 517328128 /nfs/dbraw/zinc/32/81/28/517328128.db2.gz OKIMVKSOFGSPCY-UHFFFAOYSA-N 0 2 354.721 2.902 20 5 FFBDLN COCCOCc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1F ZINC000537769500 517334076 /nfs/dbraw/zinc/33/40/76/517334076.db2.gz WRWGCHDWRLCSEX-UHFFFAOYSA-N 0 2 364.329 2.855 20 5 FFBDLN Cc1cc(C)c(NC(=O)CNC(=O)c2cccc(O)c2[N+](=O)[O-])c(C)c1 ZINC000537949400 517416222 /nfs/dbraw/zinc/41/62/22/517416222.db2.gz DKNOSHNDEREPOI-UHFFFAOYSA-N 0 2 357.366 2.594 20 5 FFBDLN COCCOc1cc(C)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000515632192 517430451 /nfs/dbraw/zinc/43/04/51/517430451.db2.gz LYCPGZRNCFMIHW-UHFFFAOYSA-N 0 2 366.395 2.729 20 5 FFBDLN COC(=O)c1cc(NS(=O)(=O)c2cc(C)c(C)s2)cc([N+](=O)[O-])c1 ZINC000538011023 517437474 /nfs/dbraw/zinc/43/74/74/517437474.db2.gz ABJQWOWNQMTETD-UHFFFAOYSA-N 0 2 370.408 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CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H](O)c1c(F)cccc1F ZINC000773425434 1013340359 /nfs/dbraw/zinc/34/03/59/1013340359.db2.gz BYECCSOWLSWODX-BBRMVZONSA-N 0 2 366.320 2.821 20 5 FFBDLN C[C@H]([NH2+]Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1c(F)cncc1F ZINC001593298396 994715215 /nfs/dbraw/zinc/71/52/15/994715215.db2.gz JQNBRMZRVCMXMC-VIFPVBQESA-N 0 2 367.308 2.582 20 5 FFBDLN O=C(NCCn1c[nH+]cc1-c1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001169159731 1000028853 /nfs/dbraw/zinc/02/88/53/1000028853.db2.gz WRGGORMXOLNYKC-UHFFFAOYSA-N 0 2 352.350 2.594 20 5 FFBDLN O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000788300287 1001782565 /nfs/dbraw/zinc/78/25/65/1001782565.db2.gz APQVAFNTJIAEEM-CQSZACIVSA-N 0 2 370.283 2.783 20 5 FFBDLN C[C@H](OC(=O)c1cc(F)c(O)c(F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000748474793 1017259794 /nfs/dbraw/zinc/25/97/94/1017259794.db2.gz DXSIQUHZVIOISM-QMMMGPOBSA-N 0 2 366.276 2.763 20 5 FFBDLN Cc1ccc(C2=NO[C@H](CNC(=O)c3ccc([N+](=O)[O-])cc3O)C2)cc1 ZINC000800675588 1020456253 /nfs/dbraw/zinc/45/62/53/1020456253.db2.gz WFEWRUSAHQFLFX-AWEZNQCLSA-N 0 2 355.350 2.532 20 5 FFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(NCc2ccccc2)ccn1 ZINC001153456273 1027890221 /nfs/dbraw/zinc/89/02/21/1027890221.db2.gz WFQWEBHLMGVAKG-UHFFFAOYSA-N 0 2 364.361 2.982 20 5 FFBDLN O=c1c2cc(O)ccc2oc2cc(O)cc(O[C@H]3CN4CCC3CC4)c21 ZINC001234745211 1037162276 /nfs/dbraw/zinc/16/22/76/1037162276.db2.gz SICUHGYMMKBYIA-SFHVURJKSA-N 0 2 353.374 2.830 20 5 FFBDLN O=C1CCOc2cc(-c3noc(-c4cc(O)cc([N+](=O)[O-])c4)n3)ccc21 ZINC001216924867 1042164758 /nfs/dbraw/zinc/16/47/58/1042164758.db2.gz WBSGYUKUYZBNIP-UHFFFAOYSA-N 0 2 353.290 2.983 20 5 FFBDLN O=C(CCc1nc(-c2ccccc2)no1)Nc1cc([N+](=O)[O-])ccc1O ZINC001319736605 1045256558 /nfs/dbraw/zinc/25/65/58/1045256558.db2.gz FEVJJWWCZUXTAU-UHFFFAOYSA-N 0 2 354.322 2.922 20 5 FFBDLN O=C(NCCc1ccc2c(c1)OC(F)(F)O2)c1ccc([N+](=O)[O-])cc1O ZINC001452682978 1059273734 /nfs/dbraw/zinc/27/37/34/1059273734.db2.gz HIFOGMTVMGUKSA-UHFFFAOYSA-N 0 2 366.276 2.594 20 5 FFBDLN COc1cccc2c1CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C2 ZINC001558777584 1076075038 /nfs/dbraw/zinc/07/50/38/1076075038.db2.gz NWIRHOLAPCYPSM-CYBMUJFWSA-N 0 2 356.378 2.986 20 5 FFBDLN Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000272428354 252036798 /nfs/dbraw/zinc/03/67/98/252036798.db2.gz JBRWWZZQTIYMAL-UHFFFAOYSA-N 0 2 360.342 2.982 20 5 FFBDLN COc1cccc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3O)CCO2)c1 ZINC000272454988 252043031 /nfs/dbraw/zinc/04/30/31/252043031.db2.gz WRTMIDGDTNMXSW-KRWDZBQOSA-N 0 2 358.350 2.523 20 5 FFBDLN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(F)(F)F ZINC000288344751 257178024 /nfs/dbraw/zinc/17/80/24/257178024.db2.gz IIYBQXAPICNTGW-RXMQYKEDSA-N 0 2 366.239 2.843 20 5 FFBDLN Cc1nc(NS(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)ccc1[N+](=O)[O-] ZINC000332708758 258240854 /nfs/dbraw/zinc/24/08/54/258240854.db2.gz ZPQCYZAYCPVKIY-UHFFFAOYSA-N 0 2 363.395 2.813 20 5 FFBDLN O=C(N=c1ccc(C2CC2)n[nH]1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410483930 512274725 /nfs/dbraw/zinc/27/47/25/512274725.db2.gz OWBMEOQHAHCBLD-UHFFFAOYSA-N 0 2 352.272 2.955 20 5 FFBDLN CC[C@@H]1CCc2nc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])sc2C1 ZINC000066253017 506459457 /nfs/dbraw/zinc/45/94/57/506459457.db2.gz QBIPHPSVTJQJKI-SNVBAGLBSA-N 0 2 367.452 2.789 20 5 FFBDLN COc1ccc(CC(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)cc1[N+](=O)[O-] ZINC000067823585 507018990 /nfs/dbraw/zinc/01/89/90/507018990.db2.gz QAWWDQIURJWEKI-UHFFFAOYSA-N 0 2 370.321 2.540 20 5 FFBDLN Cc1cc(C)n(-c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cn2)n1 ZINC000089531206 507846026 /nfs/dbraw/zinc/84/60/26/507846026.db2.gz CPLVCFLITOHATC-UHFFFAOYSA-N 0 2 353.338 2.750 20 5 FFBDLN CCc1nc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)sc1C ZINC000079288949 507950666 /nfs/dbraw/zinc/95/06/66/507950666.db2.gz RFBYDUPKGQYRBA-UHFFFAOYSA-N 0 2 355.441 2.762 20 5 FFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ncccc1OCC(F)(F)F ZINC000092545940 508080666 /nfs/dbraw/zinc/08/06/66/508080666.db2.gz MHHITRDLRJIIJJ-UHFFFAOYSA-N 0 2 357.244 2.889 20 5 FFBDLN CC(C)(C)n1ccnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546876 508081309 /nfs/dbraw/zinc/08/13/09/508081309.db2.gz NCPSFFPDMLAVRA-UHFFFAOYSA-N 0 2 350.400 2.983 20 5 FFBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Br)cn1 ZINC000105564918 508375944 /nfs/dbraw/zinc/37/59/44/508375944.db2.gz SBHDAYWYEOAMFJ-UHFFFAOYSA-N 0 2 372.200 2.862 20 5 FFBDLN COCc1csc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])n1 ZINC000115928150 508456488 /nfs/dbraw/zinc/45/64/88/508456488.db2.gz JCDCADVMKJYPLD-UHFFFAOYSA-N 0 2 357.413 2.615 20 5 FFBDLN Cc1ccnc(-n2nccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000152888899 508528271 /nfs/dbraw/zinc/52/82/71/508528271.db2.gz PTLDLNVSADAEIC-UHFFFAOYSA-N 0 2 373.394 2.593 20 5 FFBDLN Cc1ccnc(-n2nccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000152921280 508530773 /nfs/dbraw/zinc/53/07/73/508530773.db2.gz VBMPULCBFHURSY-UHFFFAOYSA-N 0 2 373.394 2.593 20 5 FFBDLN Cc1ccc(S(=O)(=O)Nc2cccc(OCC(F)F)n2)cc1[N+](=O)[O-] ZINC000119712124 508849334 /nfs/dbraw/zinc/84/93/34/508849334.db2.gz HXSBENXJLPMITG-UHFFFAOYSA-N 0 2 373.337 2.743 20 5 FFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCO[C@H](CCc2ccccc2)C1 ZINC000124792752 508885459 /nfs/dbraw/zinc/88/54/59/508885459.db2.gz NPFZVGOTWMMDCW-MRXNPFEDSA-N 0 2 356.378 2.774 20 5 FFBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(Br)ccc2O)c1 ZINC000125089860 508929200 /nfs/dbraw/zinc/92/92/00/508929200.db2.gz HGCQENWHRITOIH-UHFFFAOYSA-N 0 2 373.184 2.864 20 5 FFBDLN O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160100750 508938092 /nfs/dbraw/zinc/93/80/92/508938092.db2.gz NIBQOVMXKYNNMN-UHFFFAOYSA-N 0 2 362.411 2.995 20 5 FFBDLN Cc1cc(C2CC2)nc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC000191811152 509194009 /nfs/dbraw/zinc/19/40/09/509194009.db2.gz CCLAHRIUNMJXQH-UHFFFAOYSA-N 0 2 362.411 2.988 20 5 FFBDLN O=C(NCc1ccnc(OCC(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1O ZINC000179430231 509439566 /nfs/dbraw/zinc/43/95/66/509439566.db2.gz VXXCQWPTUSHQLU-UHFFFAOYSA-N 0 2 371.271 2.567 20 5 FFBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1noc(Cc2ccccc2)n1 ZINC000179541387 509502231 /nfs/dbraw/zinc/50/22/31/509502231.db2.gz HCFCDSAENIANTM-LLVKDONJSA-N 0 2 368.349 2.765 20 5 FFBDLN CC(C)(CO)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000179548064 509505612 /nfs/dbraw/zinc/50/56/12/509505612.db2.gz KCCLVLQJYBVUID-INIZCTEOSA-N 0 2 358.394 2.833 20 5 FFBDLN Cc1c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnn1Cc1ccc(F)cc1 ZINC000192892583 509688777 /nfs/dbraw/zinc/68/87/77/509688777.db2.gz GJCLISCAGQXQOA-UHFFFAOYSA-N 0 2 371.328 2.640 20 5 FFBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(-c2cccs2)o1 ZINC000190350377 510079677 /nfs/dbraw/zinc/07/96/77/510079677.db2.gz NAFCHJQJJFFJSF-UHFFFAOYSA-N 0 2 366.380 2.816 20 5 FFBDLN COc1ccc(S(=O)(=O)Nc2ccnn2[C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000171342560 510092233 /nfs/dbraw/zinc/09/22/33/510092233.db2.gz XJFGLKNQIUDEJW-SNVBAGLBSA-N 0 2 366.399 2.572 20 5 FFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000187795568 510443113 /nfs/dbraw/zinc/44/31/13/510443113.db2.gz GMNGUONQBQDWEK-INIZCTEOSA-N 0 2 356.378 2.774 20 5 FFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(C(C)(C)C)o1 ZINC000194788577 510527136 /nfs/dbraw/zinc/52/71/36/510527136.db2.gz XGPUZZZNPJDAHT-UHFFFAOYSA-N 0 2 354.388 2.639 20 5 FFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nnc(CC(C)(C)C)o1 ZINC000194863675 510563849 /nfs/dbraw/zinc/56/38/49/510563849.db2.gz WPNMOUVHYJCTLN-UHFFFAOYSA-N 0 2 368.415 2.984 20 5 FFBDLN COc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000195068722 510656595 /nfs/dbraw/zinc/65/65/95/510656595.db2.gz WGIPVVHCNGRICS-UHFFFAOYSA-N 0 2 374.378 2.590 20 5 FFBDLN Cc1cc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3O)CCO2)ccc1F ZINC000182171812 510793287 /nfs/dbraw/zinc/79/32/87/510793287.db2.gz MVCVPHLAINLVGG-KRWDZBQOSA-N 0 2 360.341 2.962 20 5 FFBDLN O=C(NC1(Cc2ccc(F)cc2)CCOCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000294378714 511045440 /nfs/dbraw/zinc/04/54/40/511045440.db2.gz PBDAGRJZZQSXKK-UHFFFAOYSA-N 0 2 374.368 2.961 20 5 FFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000279337109 511049066 /nfs/dbraw/zinc/04/90/66/511049066.db2.gz RIDSRXCCRHURKC-GFCCVEGCSA-N 0 2 361.329 2.518 20 5 FFBDLN O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279473715 511095642 /nfs/dbraw/zinc/09/56/42/511095642.db2.gz GVZPCPYCQAVOTC-UHFFFAOYSA-N 0 2 370.409 2.853 20 5 FFBDLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000325959464 511853523 /nfs/dbraw/zinc/85/35/23/511853523.db2.gz PHIWQGZYLYOQHX-UHFFFAOYSA-N 0 2 370.408 2.861 20 5 FFBDLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000327526337 511877023 /nfs/dbraw/zinc/87/70/23/511877023.db2.gz AWDVBVHYRZHPJT-UHFFFAOYSA-N 0 2 368.342 2.630 20 5 FFBDLN COc1c(F)cc(S(=O)(=O)Nc2sc(C)nc2C)cc1[N+](=O)[O-] ZINC000274971233 512002656 /nfs/dbraw/zinc/00/26/56/512002656.db2.gz DBKNARAXRYNWKO-UHFFFAOYSA-N 0 2 361.376 2.617 20 5 FFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000275087792 512036819 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351.403 2.816 20 5 FFBDLN Cc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)o1 ZINC000446965471 513369858 /nfs/dbraw/zinc/36/98/58/513369858.db2.gz JSBCMKOJQZBSDF-UHFFFAOYSA-N 0 2 351.262 2.711 20 5 FFBDLN C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H]1C(=O)OC(C)(C)C ZINC000425034785 513383228 /nfs/dbraw/zinc/38/32/28/513383228.db2.gz GZJPWBXRWZRBLN-ABAIWWIYSA-N 0 2 364.398 2.883 20 5 FFBDLN COc1cc(OC)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1F ZINC000447394777 513465629 /nfs/dbraw/zinc/46/56/29/513465629.db2.gz IFUDAMBIYVMETI-UHFFFAOYSA-N 0 2 370.358 2.860 20 5 FFBDLN CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000442315758 513702638 /nfs/dbraw/zinc/70/26/38/513702638.db2.gz QXVZNZOMWMNMRH-UHFFFAOYSA-N 0 2 364.379 2.881 20 5 FFBDLN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)ccc1F ZINC000436180471 513786454 /nfs/dbraw/zinc/78/64/54/513786454.db2.gz LYQZQDZJIAOAAB-UHFFFAOYSA-N 0 2 356.331 2.552 20 5 FFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(-c2nncs2)cc1 ZINC000436473820 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ZINC000446949948 513364909 /nfs/dbraw/zinc/36/49/09/513364909.db2.gz YGWJUJUZXWHNPX-UHFFFAOYSA-N 0 2 366.399 2.590 20 5 FFBDLN C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H]1C(=O)OC(C)(C)C ZINC000425032932 513382701 /nfs/dbraw/zinc/38/27/01/513382701.db2.gz DBXSTZWJSZWVSH-IAQYHMDHSA-N 0 2 364.398 2.883 20 5 FFBDLN C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000421927823 513479629 /nfs/dbraw/zinc/47/96/29/513479629.db2.gz SSQWDGSJLCSSIZ-RYUDHWBXSA-N 0 2 364.398 2.883 20 5 FFBDLN CCCCc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)nc1 ZINC000451097720 513517679 /nfs/dbraw/zinc/51/76/79/513517679.db2.gz FDOOTRMCUUGKQE-UHFFFAOYSA-N 0 2 366.399 2.537 20 5 FFBDLN CCCCc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)nc1 ZINC000451099396 513520591 /nfs/dbraw/zinc/52/05/91/513520591.db2.gz LQGKNIAQEKATKG-UHFFFAOYSA-N 0 2 354.363 2.667 20 5 FFBDLN Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)nn1[C@H](C)C1CC1 ZINC000442243646 513689410 /nfs/dbraw/zinc/68/94/10/513689410.db2.gz WCYSTXCXQVAVEO-LLVKDONJSA-N 0 2 350.400 2.872 20 5 FFBDLN Cc1ncccc1OC[C@H]1CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000416359805 513730859 /nfs/dbraw/zinc/73/08/59/513730859.db2.gz JMJAVYJITPFIBL-CYBMUJFWSA-N 0 2 357.366 2.687 20 5 FFBDLN Cc1cc(OCC(=O)N=c2ccc(-c3ccccc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000430838989 513761842 /nfs/dbraw/zinc/76/18/42/513761842.db2.gz QONBPIRRPUNTQP-UHFFFAOYSA-N 0 2 364.361 2.800 20 5 FFBDLN C[C@@H](O)[C@@](C)(CNC(=O)c1cc([N+](=O)[O-])ccc1O)Cc1ccccc1 ZINC000436561072 513896619 /nfs/dbraw/zinc/89/66/19/513896619.db2.gz HOMCWHAUYWBRAS-BFUOFWGJSA-N 0 2 358.394 2.660 20 5 FFBDLN CCc1nc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nn1-c1ccccc1F ZINC000436623347 513920571 /nfs/dbraw/zinc/92/05/71/513920571.db2.gz YVHHYTVGPQJMEF-UHFFFAOYSA-N 0 2 371.328 2.835 20 5 FFBDLN CC[C@@](NC(=O)c1cc([N+](=O)[O-])ccc1O)(C(=O)OC)c1ccccc1 ZINC000436653511 513931839 /nfs/dbraw/zinc/93/18/39/513931839.db2.gz ALJYTFBXQMOLFR-SFHVURJKSA-N 0 2 358.350 2.509 20 5 FFBDLN O=C(NCc1c(F)cccc1N1CCCC1)c1cc([N+](=O)[O-])ccc1O ZINC000436810780 513990307 /nfs/dbraw/zinc/99/03/07/513990307.db2.gz YFONKVMGMCFMDI-UHFFFAOYSA-N 0 2 359.357 2.970 20 5 FFBDLN COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1OC(F)F ZINC000436903752 514028404 /nfs/dbraw/zinc/02/84/04/514028404.db2.gz WWCAXYPKXQULTL-UHFFFAOYSA-N 0 2 368.292 2.840 20 5 FFBDLN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)nn1-c1ccc(F)cc1F ZINC000436930678 514038771 /nfs/dbraw/zinc/03/87/71/514038771.db2.gz ZHJYFXOPMHYNEE-UHFFFAOYSA-N 0 2 374.303 2.747 20 5 FFBDLN COc1ccccc1OC[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436959700 514051583 /nfs/dbraw/zinc/05/15/83/514051583.db2.gz NNDCAZOMHOWKFG-LBPRGKRZSA-N 0 2 360.366 2.754 20 5 FFBDLN COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000436958773 514051620 /nfs/dbraw/zinc/05/16/20/514051620.db2.gz COQGHWMFBGURSH-DIFFPNOSSA-N 0 2 360.366 2.815 20 5 FFBDLN CCOC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000436965174 514052410 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Cc1cc(S(=O)(=O)Nc2cc([C@H]3CCCO3)[nH]n2)c(C)cc1[N+](=O)[O-] ZINC000414460015 514132001 /nfs/dbraw/zinc/13/20/01/514132001.db2.gz VYKINBPUMKEUAI-CYBMUJFWSA-N 0 2 366.399 2.587 20 5 FFBDLN CCc1n[nH]c(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1C ZINC000438231130 514334855 /nfs/dbraw/zinc/33/48/55/514334855.db2.gz NECINQMWHUXSJV-UHFFFAOYSA-N 0 2 358.807 2.951 20 5 FFBDLN COc1ccc(S(=O)(=O)Nc2ccccc2-c2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000438805740 514445521 /nfs/dbraw/zinc/44/55/21/514445521.db2.gz BWXQUUQGLBRZHI-UHFFFAOYSA-N 0 2 374.378 2.794 20 5 FFBDLN Cc1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cc1C(F)(F)F ZINC000461119141 514521087 /nfs/dbraw/zinc/52/10/87/514521087.db2.gz UBRCFGHZVQXZMY-UHFFFAOYSA-N 0 2 361.301 2.540 20 5 FFBDLN Cc1sc(S(=O)(=O)Nc2ccc(OC(C)C)nc2)cc1[N+](=O)[O-] ZINC000466977469 514846745 /nfs/dbraw/zinc/84/67/45/514846745.db2.gz QXWHYKBRTUOCDQ-UHFFFAOYSA-N 0 2 357.413 2.948 20 5 FFBDLN CNC(=O)Nc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000466977562 514846907 /nfs/dbraw/zinc/84/69/07/514846907.db2.gz SHFMEPSOYRQOQL-UHFFFAOYSA-N 0 2 370.412 2.517 20 5 FFBDLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000485096678 514910728 /nfs/dbraw/zinc/91/07/28/514910728.db2.gz PIIGNOPKBCMNCT-UHFFFAOYSA-N 0 2 368.367 2.646 20 5 FFBDLN COC(=O)c1ccccc1NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000480712960 515054585 /nfs/dbraw/zinc/05/45/85/515054585.db2.gz LENXQJRBMKQYAW-UHFFFAOYSA-N 0 2 364.379 2.799 20 5 FFBDLN CNc1c(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cccc1[N+](=O)[O-] ZINC000462900315 515289728 /nfs/dbraw/zinc/28/97/28/515289728.db2.gz ANYPZQLEGLOHFY-UHFFFAOYSA-N 0 2 373.394 2.619 20 5 FFBDLN CN(CC(=O)N=c1nc(-c2ccccc2)[nH]s1)c1ccccc1[N+](=O)[O-] ZINC000463185927 515388958 /nfs/dbraw/zinc/38/89/58/515388958.db2.gz YZNFFNSBDAWYHA-UHFFFAOYSA-N 0 2 369.406 2.610 20 5 FFBDLN CCOc1ccc(NS(=O)(=O)c2ccccc2COC)c([N+](=O)[O-])c1 ZINC000486739518 515613736 /nfs/dbraw/zinc/61/37/36/515613736.db2.gz ZEBMKENJXUPDMW-UHFFFAOYSA-N 0 2 366.395 2.941 20 5 FFBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000506370175 515863898 /nfs/dbraw/zinc/86/38/98/515863898.db2.gz NKGKISQATAINFG-SNVBAGLBSA-N 0 2 355.350 2.676 20 5 FFBDLN CCc1cc(C2CC2)nc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])n1 ZINC000479130847 516069633 /nfs/dbraw/zinc/06/96/33/516069633.db2.gz LUICTXDFSDEQQJ-UHFFFAOYSA-N 0 2 362.411 2.934 20 5 FFBDLN COc1ccc2[nH]nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)c2c1 ZINC000479226353 516115684 /nfs/dbraw/zinc/11/56/84/516115684.db2.gz QMZLHGDRVJHADD-UHFFFAOYSA-N 0 2 362.367 2.589 20 5 FFBDLN CCOc1ccccc1NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000488227076 516166341 /nfs/dbraw/zinc/16/63/41/516166341.db2.gz GEEBNDOOLLPNOS-UHFFFAOYSA-N 0 2 370.358 2.942 20 5 FFBDLN CCOc1ccc(NS(=O)(=O)c2ccc(OCC)nc2)c([N+](=O)[O-])c1 ZINC000543790921 516430423 /nfs/dbraw/zinc/43/04/23/516430423.db2.gz BLDQZCVFKWPUDG-UHFFFAOYSA-N 0 2 367.383 2.588 20 5 FFBDLN O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cc(F)c(O)c(Cl)c1 ZINC000554495732 516467522 /nfs/dbraw/zinc/46/75/22/516467522.db2.gz WWBXBPBUSHKVFB-UHFFFAOYSA-N 0 2 354.721 2.902 20 5 FFBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cnn(CC(F)F)c1 ZINC000523979422 516621135 /nfs/dbraw/zinc/62/11/35/516621135.db2.gz JDXQGMDTCLPCCL-UHFFFAOYSA-N 0 2 366.733 2.511 20 5 FFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000536300152 516713184 /nfs/dbraw/zinc/71/31/84/516713184.db2.gz CEPDLBBTENHKSZ-STQMWFEESA-N 0 2 356.334 2.814 20 5 FFBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000561930264 516835871 /nfs/dbraw/zinc/83/58/71/516835871.db2.gz RFOUVBZKYSSCOT-UHFFFAOYSA-N 0 2 354.196 2.581 20 5 FFBDLN COc1ccc(C(=O)Nc2cc(-c3n[nH]c(=O)[nH]3)ccc2C)cc1[N+](=O)[O-] ZINC000549729590 517677796 /nfs/dbraw/zinc/67/77/96/517677796.db2.gz XYCFCZAZWWXJBX-UHFFFAOYSA-N 0 2 369.337 2.655 20 5 FFBDLN CC(C)Cn1cc[nH+]c1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000563181615 517717240 /nfs/dbraw/zinc/71/72/40/517717240.db2.gz CAAGZWPWQDIFDM-UHFFFAOYSA-N 0 2 352.778 2.736 20 5 FFBDLN C[C@@H](C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000586825119 518654389 /nfs/dbraw/zinc/65/43/89/518654389.db2.gz ZWEGNDVXGMKPKM-SECBINFHSA-N 0 2 371.328 2.967 20 5 FFBDLN O=C(Nc1ccn(-c2ccccc2Cl)n1)c1cc(O)ccc1[N+](=O)[O-] ZINC000568542872 519093202 /nfs/dbraw/zinc/09/32/02/519093202.db2.gz KCKUZWOUPAYTNI-UHFFFAOYSA-N 0 2 358.741 2.814 20 5 FFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nc(C(F)(F)F)c[nH]2)c1 ZINC000568574021 519104486 /nfs/dbraw/zinc/10/44/86/519104486.db2.gz FMOQCCNHUHGODS-UHFFFAOYSA-N 0 2 364.305 2.754 20 5 FFBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H](C1CC1)C(F)(F)F ZINC000571558150 519156496 /nfs/dbraw/zinc/15/64/96/519156496.db2.gz KHMZRMUIOJKOEZ-SNVBAGLBSA-N 0 2 358.725 2.867 20 5 FFBDLN Cc1ccc([N+](=O)[O-])c(N2CCCN(c3ccc(C(=O)[O-])c[nH+]3)CC2)c1 ZINC000574694631 519285778 /nfs/dbraw/zinc/28/57/78/519285778.db2.gz PKMLSHIHZRETRP-UHFFFAOYSA-N 0 2 356.382 2.713 20 5 FFBDLN Cc1cc(NCc2[nH+]ccn2CC(F)(F)F)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000574813963 519346475 /nfs/dbraw/zinc/34/64/75/519346475.db2.gz SHYMULQMJYCDTG-UHFFFAOYSA-N 0 2 358.276 2.972 20 5 FFBDLN O=C(Nc1cccc(N2C(=O)CCCC2=O)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000581148073 519546549 /nfs/dbraw/zinc/54/65/49/519546549.db2.gz SDAQBMDZLPRYFD-UHFFFAOYSA-N 0 2 369.333 2.596 20 5 FFBDLN Cc1cc(S(=O)(=O)Nc2cnn(CC3CC3)c2)c(C)cc1[N+](=O)[O-] ZINC000591258486 519564300 /nfs/dbraw/zinc/56/43/00/519564300.db2.gz CBWHIPUECKQCQI-UHFFFAOYSA-N 0 2 350.400 2.619 20 5 FFBDLN C[C@H](c1nccs1)[NH+]1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000566681425 519609682 /nfs/dbraw/zinc/60/96/82/519609682.db2.gz SZZFRGPZVMRRAT-LLVKDONJSA-N 0 2 362.411 2.633 20 5 FFBDLN CC(C)[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000594393710 519937149 /nfs/dbraw/zinc/93/71/49/519937149.db2.gz NCORFABJWYDRMY-ZDUSSCGKSA-N 0 2 352.387 2.644 20 5 FFBDLN CCc1ccc(C)nc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000594728410 520117839 /nfs/dbraw/zinc/11/78/39/520117839.db2.gz FOIGYQCEOGBKNC-UHFFFAOYSA-N 0 2 351.384 2.670 20 5 FFBDLN Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000608987888 520173166 /nfs/dbraw/zinc/17/31/66/520173166.db2.gz MKYGZUPAWGOWKT-UHFFFAOYSA-N 0 2 369.337 2.782 20 5 FFBDLN Cc1ccc(S(=O)(=O)Nc2cnn(CC3CC3)c2)c(C)c1[N+](=O)[O-] ZINC000598710382 520802131 /nfs/dbraw/zinc/80/21/31/520802131.db2.gz BLKIXSVQAAWNPG-UHFFFAOYSA-N 0 2 350.400 2.619 20 5 FFBDLN Cc1ccc(S(=O)(=O)Nc2nnc(C(F)F)s2)c(C)c1[N+](=O)[O-] ZINC000598734037 520815684 /nfs/dbraw/zinc/81/56/84/520815684.db2.gz ITHWNEPSDOIBNB-UHFFFAOYSA-N 0 2 364.355 2.802 20 5 FFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(C)=O)cc1 ZINC000619466191 521581975 /nfs/dbraw/zinc/58/19/75/521581975.db2.gz DNGURLPEWPJPGK-UHFFFAOYSA-N 0 2 350.352 2.607 20 5 FFBDLN COc1cc(C)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619466925 521583960 /nfs/dbraw/zinc/58/39/60/521583960.db2.gz DSFCRTVCPWWSDH-UHFFFAOYSA-N 0 2 352.368 2.721 20 5 FFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccnn1-c1ccccc1 ZINC000619506966 521601120 /nfs/dbraw/zinc/60/11/20/521601120.db2.gz MJERZJCDMAXOOB-UHFFFAOYSA-N 0 2 374.378 2.590 20 5 FFBDLN O=[N+]([O-])c1ccc(OCCN=c2[nH]nc(C3CCOCC3)s2)cc1 ZINC000517248485 562082634 /nfs/dbraw/zinc/08/26/34/562082634.db2.gz PQLCKWHDNNXIDM-UHFFFAOYSA-N 0 2 350.400 2.831 20 5 FFBDLN O=C([O-])c1cc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)cc([N+](=O)[O-])c1 ZINC000833298139 601447927 /nfs/dbraw/zinc/44/79/27/601447927.db2.gz ORHQMGXWIGANMW-UHFFFAOYSA-N 0 2 367.317 2.836 20 5 FFBDLN O=C([O-])N1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000834110894 605477093 /nfs/dbraw/zinc/47/70/93/605477093.db2.gz XNTULJRWIJWTHG-UHFFFAOYSA-N 0 2 362.411 2.904 20 5 FFBDLN O=C([O-])N1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000834110894 605477096 /nfs/dbraw/zinc/47/70/96/605477096.db2.gz XNTULJRWIJWTHG-UHFFFAOYSA-N 0 2 362.411 2.904 20 5 FFBDLN CCCc1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(C)n1 ZINC000092877126 728471362 /nfs/dbraw/zinc/47/13/62/728471362.db2.gz 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372.200 2.862 20 5 FFBDLN COc1ccc(S(=O)(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c(C)c1 ZINC000135520783 508616975 /nfs/dbraw/zinc/61/69/75/508616975.db2.gz NWLKVKBNEDTUMR-UHFFFAOYSA-N 0 2 362.367 2.589 20 5 FFBDLN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)CC3)c([N+](=O)[O-])c1 ZINC000157918163 508632401 /nfs/dbraw/zinc/63/24/01/508632401.db2.gz FRWIVLYEPYKSOW-UHFFFAOYSA-N 0 2 361.379 2.589 20 5 FFBDLN Cc1sc(S(=O)(=O)Nc2cccc(-c3nc[nH]n3)c2)cc1[N+](=O)[O-] ZINC000119195212 508745773 /nfs/dbraw/zinc/74/57/73/508745773.db2.gz BZLWOZKLGNHPGS-UHFFFAOYSA-N 0 2 365.396 2.551 20 5 FFBDLN Cc1sc(S(=O)(=O)Nc2ccccc2C[S@@](C)=O)cc1[N+](=O)[O-] ZINC000119426021 508793365 /nfs/dbraw/zinc/79/33/65/508793365.db2.gz HNWOFMCXHWECNG-QFIPXVFZSA-N 0 2 374.465 2.644 20 5 FFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nccc(-c3ccco3)n2)c(F)c1 ZINC000130629216 508824833 /nfs/dbraw/zinc/82/48/33/508824833.db2.gz MHNDXFMQXURSEL-UHFFFAOYSA-N 0 2 364.314 2.585 20 5 FFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCO[C@@H](CCc2ccccc2)C1 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COc1cccc(N2CC[C@@H](CNC(=O)c3cc([N+](=O)[O-])ccc3O)C2)c1 ZINC000179472480 509462533 /nfs/dbraw/zinc/46/25/33/509462533.db2.gz JNJUXFYTLBAQCA-ZDUSSCGKSA-N 0 2 371.393 2.565 20 5 FFBDLN O=C(NCc1[nH+]ccn1CCc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179540692 509502091 /nfs/dbraw/zinc/50/20/91/509502091.db2.gz GKEUIZJYZCBYKN-UHFFFAOYSA-N 0 2 366.377 2.670 20 5 FFBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccn(CCC(C)C)n1 ZINC000164601024 509519071 /nfs/dbraw/zinc/51/90/71/509519071.db2.gz JVHUMGYRRLACDK-UHFFFAOYSA-N 0 2 352.416 2.947 20 5 FFBDLN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166107332 509596540 /nfs/dbraw/zinc/59/65/40/509596540.db2.gz GCQLWYUQFQDLIP-UHFFFAOYSA-N 0 2 372.303 2.857 20 5 FFBDLN CCCc1cnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)s1 ZINC000183202084 509656522 /nfs/dbraw/zinc/65/65/22/509656522.db2.gz XEMBKHCDEGBTCA-UHFFFAOYSA-N 0 2 357.413 2.813 20 5 FFBDLN CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183534908 509847181 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O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000279337110 511049458 /nfs/dbraw/zinc/04/94/58/511049458.db2.gz RIDSRXCCRHURKC-LBPRGKRZSA-N 0 2 361.329 2.518 20 5 FFBDLN CCOCCOCc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000298393722 511269334 /nfs/dbraw/zinc/26/93/34/511269334.db2.gz INKSIEGBXMQTJR-UHFFFAOYSA-N 0 2 374.393 2.784 20 5 FFBDLN C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000295534671 511436665 /nfs/dbraw/zinc/43/66/65/511436665.db2.gz YIXIYPGHNDLTHK-LLVKDONJSA-N 0 2 367.402 2.724 20 5 FFBDLN C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000292399047 511582980 /nfs/dbraw/zinc/58/29/80/511582980.db2.gz UTWXDUKQNJJZON-GMSGAONNSA-N 0 2 366.727 2.679 20 5 FFBDLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000327605158 511878441 /nfs/dbraw/zinc/87/84/41/511878441.db2.gz HZHNATIMOUIVBM-UHFFFAOYSA-N 0 2 368.342 2.630 20 5 FFBDLN CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274574010 511878738 /nfs/dbraw/zinc/87/87/38/511878738.db2.gz FGZSYRMCIAUSHC-UHFFFAOYSA-N 0 2 360.366 2.980 20 5 FFBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@@H](n2ncc3ccccc32)C1 ZINC000376131094 512675246 /nfs/dbraw/zinc/67/52/46/512675246.db2.gz VUOJEDSAJVXKRW-CYBMUJFWSA-N 0 2 352.350 2.737 20 5 FFBDLN COC(=O)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000392079178 512921418 /nfs/dbraw/zinc/92/14/18/512921418.db2.gz BDSJFHCNEMCNEB-UHFFFAOYSA-N 0 2 370.770 2.836 20 5 FFBDLN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000447864186 513605088 /nfs/dbraw/zinc/60/50/88/513605088.db2.gz PWQHNGBKQMFBAW-HOTGVXAUSA-N 0 2 370.361 2.819 20 5 FFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nc(C(C)(C)C)ns1 ZINC000442604184 513744055 /nfs/dbraw/zinc/74/40/55/513744055.db2.gz ZZQVWLYCHQAYLE-UHFFFAOYSA-N 0 2 370.456 2.583 20 5 FFBDLN CCOC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)Cc2ccccc21 ZINC000448426098 513755716 /nfs/dbraw/zinc/75/57/16/513755716.db2.gz RKQMOPHJKGYXMO-OAHLLOKOSA-N 0 2 370.361 2.603 20 5 FFBDLN COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436702453 513948235 /nfs/dbraw/zinc/94/82/35/513948235.db2.gz AMEVLZJJERPARV-LBPRGKRZSA-N 0 2 358.350 2.504 20 5 FFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(Cc1ccccc1)CC1(CO)CC1 ZINC000436733472 513961664 /nfs/dbraw/zinc/96/16/64/513961664.db2.gz XMFPOWZSXWGJGR-UHFFFAOYSA-N 0 2 356.378 2.715 20 5 FFBDLN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1N1CCCC1=O ZINC000436870557 514016420 /nfs/dbraw/zinc/01/64/20/514016420.db2.gz NTHYCHCHNIOWRV-UHFFFAOYSA-N 0 2 371.349 2.688 20 5 FFBDLN COc1ccc(C[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1OC ZINC000436889451 514021319 /nfs/dbraw/zinc/02/13/19/514021319.db2.gz BUUKEVOWHDHDSL-GFCCVEGCSA-N 0 2 374.393 2.926 20 5 FFBDLN O=C(NC1(Cc2ccc(F)cc2)CCOCC1)c1cc([N+](=O)[O-])ccc1O ZINC000436912687 514030413 /nfs/dbraw/zinc/03/04/13/514030413.db2.gz HPDSSQHYHYYZQH-UHFFFAOYSA-N 0 2 374.368 2.961 20 5 FFBDLN COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cc(C)cc(C)c1 ZINC000436931386 514039237 /nfs/dbraw/zinc/03/92/37/514039237.db2.gz BRMAFXKVIGOASG-INIZCTEOSA-N 0 2 358.350 2.561 20 5 FFBDLN COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000436958775 514051114 /nfs/dbraw/zinc/05/11/14/514051114.db2.gz COQGHWMFBGURSH-PIGZYNQJSA-N 0 2 360.366 2.815 20 5 FFBDLN CC(C)(C)OC(=O)CCCCCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436981993 514061542 /nfs/dbraw/zinc/06/15/42/514061542.db2.gz SAWKYPMSCBTMGO-UHFFFAOYSA-N 0 2 352.387 2.932 20 5 FFBDLN CCCCc1nnc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])s1 ZINC000437181792 514108778 /nfs/dbraw/zinc/10/87/78/514108778.db2.gz RIWQHQKUPHRDNM-UHFFFAOYSA-N 0 2 356.429 2.898 20 5 FFBDLN O=[N+]([O-])c1ccc(-c2nc(-c3cccc(-n4cncn4)c3)no2)cc1O ZINC000445226280 514446742 /nfs/dbraw/zinc/44/67/42/514446742.db2.gz AFQNXIYAZIYWOI-UHFFFAOYSA-N 0 2 350.294 2.598 20 5 FFBDLN CC(C)Nc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cn1 ZINC000438892980 514461986 /nfs/dbraw/zinc/46/19/86/514461986.db2.gz DRZDBRZWXHSGFR-UHFFFAOYSA-N 0 2 367.369 2.848 20 5 FFBDLN CCC(CC)(CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000424378459 514466028 /nfs/dbraw/zinc/46/60/28/514466028.db2.gz SRPCAQOZEWLGSX-UHFFFAOYSA-N 0 2 365.430 2.730 20 5 FFBDLN COc1ccccc1-c1n[nH]c(NC(=O)c2cccc([N+](=O)[O-])c2OC)n1 ZINC000475122080 514564291 /nfs/dbraw/zinc/56/42/91/514564291.db2.gz SZONOBOZEZVHJJ-UHFFFAOYSA-N 0 2 369.337 2.649 20 5 FFBDLN Cc1c2ccc(NS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])cc2nn1C ZINC000461337126 514572035 /nfs/dbraw/zinc/57/20/35/514572035.db2.gz GAUHROAWDCNFKG-UHFFFAOYSA-N 0 2 360.395 2.899 20 5 FFBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1nc2c(s1)CSCC2 ZINC000508085482 514662434 /nfs/dbraw/zinc/66/24/34/514662434.db2.gz PUBANUDNOIIGIX-UHFFFAOYSA-N 0 2 371.465 2.783 20 5 FFBDLN COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000475826800 514825311 /nfs/dbraw/zinc/82/53/11/514825311.db2.gz CCLJHKPRRQEVFF-UHFFFAOYSA-N 0 2 368.342 2.630 20 5 FFBDLN Cc1c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)cnn1-c1ccccn1 ZINC000476287333 514983408 /nfs/dbraw/zinc/98/34/08/514983408.db2.gz OAWGKFISSDJYDD-UHFFFAOYSA-N 0 2 373.394 2.593 20 5 FFBDLN CSc1cccc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)c1[N+](=O)[O-] ZINC000485508217 515066928 /nfs/dbraw/zinc/06/69/28/515066928.db2.gz VJFUDFQMTPFPBH-UHFFFAOYSA-N 0 2 373.419 2.904 20 5 FFBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC(Cc2ccccc2CO)CC1 ZINC000490389280 515195201 /nfs/dbraw/zinc/19/52/01/515195201.db2.gz GXZHUWSNDXOWKS-UHFFFAOYSA-N 0 2 370.405 2.888 20 5 FFBDLN COCCOc1cccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000509545020 515226141 /nfs/dbraw/zinc/22/61/41/515226141.db2.gz URWNYUHCTCLGLL-UHFFFAOYSA-N 0 2 366.395 2.729 20 5 FFBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(OCC(F)(F)F)cc2)[nH]1 ZINC000486071910 515322787 /nfs/dbraw/zinc/32/27/87/515322787.db2.gz BHKBLXCPAQDCBI-ZZXKWVIFSA-N 0 2 357.244 2.908 20 5 FFBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C)c1C ZINC000468549022 515409357 /nfs/dbraw/zinc/40/93/57/515409357.db2.gz RHEASPSJEIEFTO-UHFFFAOYSA-N 0 2 364.379 2.799 20 5 FFBDLN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000510030311 515409482 /nfs/dbraw/zinc/40/94/82/515409482.db2.gz WHARISRVXFSOAU-UHFFFAOYSA-N 0 2 373.365 2.653 20 5 FFBDLN O=C(NC1(Cc2ccccc2)CCOCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000456811766 515437860 /nfs/dbraw/zinc/43/78/60/515437860.db2.gz RNJSTVGZICAUBL-UHFFFAOYSA-N 0 2 356.378 2.822 20 5 FFBDLN COC(=O)c1ccsc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000493001123 515586236 /nfs/dbraw/zinc/58/62/36/515586236.db2.gz CROMHTCIZRZHHJ-UHFFFAOYSA-N 0 2 370.408 2.861 20 5 FFBDLN Cc1cc(C)cc(-c2cc(=NC(=O)c3cc(O)ccc3[N+](=O)[O-])[nH][nH]2)c1 ZINC000493950966 515695785 /nfs/dbraw/zinc/69/57/85/515695785.db2.gz VIMLMCHPXYUHKR-UHFFFAOYSA-N 0 2 352.350 2.982 20 5 FFBDLN O=C(Nc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1)NC1CC1 ZINC000505946808 515731873 /nfs/dbraw/zinc/73/18/73/515731873.db2.gz CARNWTHZFFWVBT-UHFFFAOYSA-N 0 2 356.338 2.837 20 5 FFBDLN Cc1cc(C)n(-c2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cn2)n1 ZINC000469509818 515845588 /nfs/dbraw/zinc/84/55/88/515845588.db2.gz CYYZWEMBMDKJNN-UHFFFAOYSA-N 0 2 353.338 2.750 20 5 FFBDLN CN(C)[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000469653263 515905723 /nfs/dbraw/zinc/90/57/23/515905723.db2.gz TYTAZUSBRJNHCO-OAHLLOKOSA-N 0 2 365.336 2.611 20 5 FFBDLN O=C(Nc1cccn(Cc2ccccc2)c1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000469702904 515925549 /nfs/dbraw/zinc/92/55/49/515925549.db2.gz SJOYFUAWPLXXPF-UHFFFAOYSA-N 0 2 365.345 2.763 20 5 FFBDLN Cc1cn2c(nc(C)c2CN(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])s1 ZINC000469891798 516018786 /nfs/dbraw/zinc/01/87/86/516018786.db2.gz GNXOQZMKLXBUGJ-UHFFFAOYSA-N 0 2 360.395 2.899 20 5 FFBDLN Cc1cc2n[nH]cc2cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000479114904 516063527 /nfs/dbraw/zinc/06/35/27/516063527.db2.gz MESIERPRLHPDKN-UHFFFAOYSA-N 0 2 350.331 2.719 20 5 FFBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(F)(F)F)nn1 ZINC000484021078 516281349 /nfs/dbraw/zinc/28/13/49/516281349.db2.gz AVEPCYXOMGHJAS-UHFFFAOYSA-N 0 2 362.289 2.513 20 5 FFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(OC)c1O ZINC000484155037 516306591 /nfs/dbraw/zinc/30/65/91/516306591.db2.gz DEHHEAZRCHAEKZ-UHFFFAOYSA-N 0 2 352.368 2.672 20 5 FFBDLN O=C(Nc1ccc(N2CCCC2=O)c(F)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000512697608 516330385 /nfs/dbraw/zinc/33/03/85/516330385.db2.gz SYULFRYMVJYVEX-UHFFFAOYSA-N 0 2 359.313 2.819 20 5 FFBDLN COc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000543866468 516468284 /nfs/dbraw/zinc/46/82/84/516468284.db2.gz JTVYHBYIYCOAAJ-UHFFFAOYSA-N 0 2 362.285 2.822 20 5 FFBDLN COCCOc1ccc(F)cc1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000537242446 517105378 /nfs/dbraw/zinc/10/53/78/517105378.db2.gz HZGKNXVWJURVQY-UHFFFAOYSA-N 0 2 350.302 2.717 20 5 FFBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc2c(c1)CCO2 ZINC000520018769 517260355 /nfs/dbraw/zinc/26/03/55/517260355.db2.gz WDXNQJJVJDOXQB-UHFFFAOYSA-N 0 2 354.771 2.984 20 5 FFBDLN O=C(CCCOc1ccc2c(c1)OCO2)Nc1cc([N+](=O)[O-])ccc1O ZINC000537771371 517336624 /nfs/dbraw/zinc/33/66/24/517336624.db2.gz 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URWOPUDLHDVJEA-UHFFFAOYSA-N 0 2 368.415 2.647 20 5 FFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000619467285 521583795 /nfs/dbraw/zinc/58/37/95/521583795.db2.gz YBEWHSXTZMOUER-JTQLQIEISA-N 0 2 366.399 2.572 20 5 FFBDLN C[C@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000736213635 600190973 /nfs/dbraw/zinc/19/09/73/600190973.db2.gz AJEFHTYKQKPAON-GFCCVEGCSA-N 0 2 369.377 2.678 20 5 FFBDLN C[C@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000736213635 600190975 /nfs/dbraw/zinc/19/09/75/600190975.db2.gz AJEFHTYKQKPAON-GFCCVEGCSA-N 0 2 369.377 2.678 20 5 FFBDLN CC(C)(C)C[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000833430421 605233838 /nfs/dbraw/zinc/23/38/38/605233838.db2.gz WKZOZYCYGJWSKM-CQSZACIVSA-N 0 2 361.354 2.827 20 5 FFBDLN CCc1nc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc1C ZINC000066312023 728169603 /nfs/dbraw/zinc/16/96/03/728169603.db2.gz WREBJKRZWGERJJ-UHFFFAOYSA-N 0 2 361.832 2.798 20 5 FFBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)ccc1N(C)C ZINC000109424891 728527518 /nfs/dbraw/zinc/52/75/18/728527518.db2.gz IPTFXEUMVKTGOY-UHFFFAOYSA-N 0 2 353.375 2.909 20 5 FFBDLN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120114360 728606132 /nfs/dbraw/zinc/60/61/32/728606132.db2.gz GQDTURPSSUESCJ-UHFFFAOYSA-N 0 2 357.369 2.982 20 5 FFBDLN Cc1ccnn1-c1ccccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120307934 728609623 /nfs/dbraw/zinc/60/96/23/728609623.db2.gz JMFNCGSYVBQWRS-UHFFFAOYSA-N 0 2 364.408 2.951 20 5 FFBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000731034172 734663360 /nfs/dbraw/zinc/66/33/60/734663360.db2.gz CTUQMMWYQHYDIA-UHFFFAOYSA-N 0 2 367.339 2.621 20 5 FFBDLN COC(=O)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1 ZINC000754947987 736217601 /nfs/dbraw/zinc/21/76/01/736217601.db2.gz DKTJQQDYXSCPAT-UHFFFAOYSA-N 0 2 368.342 2.630 20 5 FFBDLN C[C@H](CCC(=O)Nc1cc([N+](=O)[O-])ccc1O)NC(=O)OC(C)(C)C ZINC000765480499 737122606 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20 5 FFBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H](O)c1c(F)cccc1Cl ZINC000802794571 740732238 /nfs/dbraw/zinc/73/22/38/740732238.db2.gz DRRKRNVPSOJAOU-AYVTZFPOSA-N 0 2 368.748 2.945 20 5 FFBDLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000803409762 740796647 /nfs/dbraw/zinc/79/66/47/740796647.db2.gz JYLAPBSUECPPKD-UHFFFAOYSA-N 0 2 359.729 2.991 20 5 FFBDLN COC(=O)c1ccc(Cl)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000813498398 741726229 /nfs/dbraw/zinc/72/62/29/741726229.db2.gz BDACMMNZDBEOJA-UHFFFAOYSA-N 0 2 350.714 2.993 20 5 FFBDLN CC(C)c1nnc(NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])o1 ZINC000829793191 745260882 /nfs/dbraw/zinc/26/08/82/745260882.db2.gz PHQMKEVRBMLXDN-UHFFFAOYSA-N 0 2 364.742 2.695 20 5 FFBDLN CCOc1cc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)cc(Br)c1O ZINC000841733651 747444385 /nfs/dbraw/zinc/44/43/85/747444385.db2.gz YAXHIIVMMFQOKI-VXNVDRBHSA-N 0 2 370.159 2.736 20 5 FFBDLN CCOc1cc(-c2noc([C@@H]3CC3[N+](=O)[O-])n2)cc(Br)c1O ZINC000841733651 747444392 /nfs/dbraw/zinc/44/43/92/747444392.db2.gz YAXHIIVMMFQOKI-VXNVDRBHSA-N 0 2 370.159 2.736 20 5 FFBDLN C[C@@H]1C[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)CC[C@H]1C(=O)[O-] ZINC001603461137 973297530 /nfs/dbraw/zinc/29/75/30/973297530.db2.gz MXBXNNMDBYMWJU-VXNVDRBHSA-N 0 2 363.233 2.961 20 5 FFBDLN C[C@@H]1C[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)CC[C@H]1C(=O)[O-] ZINC001603461137 973297541 /nfs/dbraw/zinc/29/75/41/973297541.db2.gz MXBXNNMDBYMWJU-VXNVDRBHSA-N 0 2 363.233 2.961 20 5 FFBDLN [NH2+]=C(Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)SCCS(=O)(=O)[O-] ZINC001168090922 979260530 /nfs/dbraw/zinc/26/05/30/979260530.db2.gz QJZJMRXVYDAAEP-UHFFFAOYSA-N 0 2 373.334 2.581 20 5 FFBDLN O=C(Nc1nnc(-c2ccc(C(F)(F)F)cc2)s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001132209313 994756603 /nfs/dbraw/zinc/75/66/03/994756603.db2.gz WEPOJQIAXJPARB-RKDXNWHRSA-N 0 2 358.301 2.828 20 5 FFBDLN O=C(C[C@H](c1ccccc1)N1CCOC1=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000770856696 1000929812 /nfs/dbraw/zinc/92/98/12/1000929812.db2.gz LTYBBNJIEQISIC-OAHLLOKOSA-N 0 2 371.349 2.823 20 5 FFBDLN O=C(COc1cccc([N+](=O)[O-])c1)C1(NC(=O)C(F)(F)F)CCCCC1 ZINC000828492461 1032726371 /nfs/dbraw/zinc/72/63/71/1032726371.db2.gz LHMWFQALCVSUQP-UHFFFAOYSA-N 0 2 374.315 2.924 20 5 FFBDLN Cc1cnn(CC2CC2)c1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC001116593026 1021299352 /nfs/dbraw/zinc/29/93/52/1021299352.db2.gz IDSBPUFPPNZJGH-UHFFFAOYSA-N 0 2 364.427 2.927 20 5 FFBDLN CCOCc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cc1 ZINC001116876324 1021466148 /nfs/dbraw/zinc/46/61/48/1021466148.db2.gz UMKCVWWEQKEZCV-UHFFFAOYSA-N 0 2 366.395 2.941 20 5 FFBDLN Cc1ccc(OC(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)cc1[N+](=O)[O-] ZINC000755359180 1023594265 /nfs/dbraw/zinc/59/42/65/1023594265.db2.gz PVEHEXWDZLJOFG-UHFFFAOYSA-N 0 2 371.374 2.658 20 5 FFBDLN O=c1nc2nc[nH]c2c(O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)[nH]1 ZINC001227072115 1034927718 /nfs/dbraw/zinc/92/77/18/1034927718.db2.gz AKWQCPFWOCZKIW-SECBINFHSA-N 0 2 355.232 2.649 20 5 FFBDLN 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CC(C)(C)OC(=O)N[C@@H](c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1)c1ccccc1 ZINC001328713597 1048432438 /nfs/dbraw/zinc/43/24/38/1048432438.db2.gz MDZPEDRSOJGEKK-JHJVBQTASA-N 0 2 360.370 2.816 20 5 FFBDLN CCc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c(C(=O)OC)c1 ZINC001342730192 1051346116 /nfs/dbraw/zinc/34/61/16/1051346116.db2.gz VGTHLUOXIPGYLT-UHFFFAOYSA-N 0 2 370.408 2.806 20 5 FFBDLN CN1c2ccc(Br)cc2N(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1(C)C ZINC001543939876 1071571605 /nfs/dbraw/zinc/57/16/05/1071571605.db2.gz NJCSPCQESNHNGO-ZYHUDNBSSA-N 0 2 368.231 2.676 20 5 FFBDLN O=C(NCCc1ccc(C(F)(F)F)cn1)c1ccc([N+](=O)[O-])cc1O ZINC001350501029 1055803369 /nfs/dbraw/zinc/80/33/69/1055803369.db2.gz XMVLORVPFPKTSG-UHFFFAOYSA-N 0 2 355.272 2.687 20 5 FFBDLN CCn1nc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1C1CC1 ZINC001558927450 1076103228 /nfs/dbraw/zinc/10/32/28/1076103228.db2.gz WMKSJIZKIYRXEU-UHFFFAOYSA-N 0 2 367.369 2.726 20 5 FFBDLN O=C([O-])[C@@H](Cc1cc2ccccc2o1)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] 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5 FFBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(Oc3cnccn3)cc2)[nH]1 ZINC000486051629 515314378 /nfs/dbraw/zinc/31/43/78/515314378.db2.gz GUERNSSSAFOFRZ-ZZXKWVIFSA-N 0 2 353.294 2.549 20 5 FFBDLN Cn1nc(-c2ccsc2)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000486566272 515540365 /nfs/dbraw/zinc/54/03/65/515540365.db2.gz UMCXQASXRHGGRI-UHFFFAOYSA-N 0 2 364.408 2.858 20 5 FFBDLN COc1cc(F)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000468856715 515551638 /nfs/dbraw/zinc/55/16/38/515551638.db2.gz GJOPGOFYPYTOEM-UHFFFAOYSA-N 0 2 356.331 2.552 20 5 FFBDLN Cn1c2ccc(CNC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2nc1C1CC1 ZINC000510651973 515624940 /nfs/dbraw/zinc/62/49/40/515624940.db2.gz UQASONNFMFQMHI-UHFFFAOYSA-N 0 2 366.377 2.995 20 5 FFBDLN O=C(NCc1ccc(OC(F)F)c(F)c1)c1cccc(O)c1[N+](=O)[O-] ZINC000511160960 515810662 /nfs/dbraw/zinc/81/06/62/515810662.db2.gz LSSFRLYSAULDLI-UHFFFAOYSA-N 0 2 356.256 2.971 20 5 FFBDLN O=C(NCC1(c2ccccc2)CCOCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469506564 515843627 /nfs/dbraw/zinc/84/36/27/515843627.db2.gz JIDSTTSVKCQPNO-UHFFFAOYSA-N 0 2 356.378 2.779 20 5 FFBDLN O=C(N=c1nc(-c2ccccc2)[nH]s1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000487704626 515948524 /nfs/dbraw/zinc/94/85/24/515948524.db2.gz QCGHXMYLQLIMGC-UHFFFAOYSA-N 0 2 370.346 2.516 20 5 FFBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCO[C@@H](CCc2ccccc2)C1 ZINC000469896313 516020387 /nfs/dbraw/zinc/02/03/87/516020387.db2.gz IZSUOSSMEOAFKW-INIZCTEOSA-N 0 2 356.378 2.774 20 5 FFBDLN COCCOc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1OC ZINC000507291244 516159714 /nfs/dbraw/zinc/15/97/14/516159714.db2.gz MBPXBKPFMMTTOC-UHFFFAOYSA-N 0 2 362.338 2.587 20 5 FFBDLN Cc1sc(S(=O)(=O)Nc2ccc(OCCCO)cc2)cc1[N+](=O)[O-] ZINC000507631614 516267237 /nfs/dbraw/zinc/26/72/37/516267237.db2.gz ZVANTKGEBBOMFZ-UHFFFAOYSA-N 0 2 372.424 2.527 20 5 FFBDLN CCOc1cc2c(cc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-])O[C@@H](C)C2 ZINC000497045008 516294113 /nfs/dbraw/zinc/29/41/13/516294113.db2.gz CASZZBQPAPMIBS-NSHDSACASA-N 0 2 372.377 2.953 20 5 FFBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cncc(F)c2)cc1C(F)(F)F ZINC000543856187 516462730 /nfs/dbraw/zinc/46/27/30/516462730.db2.gz BOSDKGIQIUUPFH-UHFFFAOYSA-N 0 2 365.264 2.949 20 5 FFBDLN CC(C)(C)c1nc(=NC(=O)CSc2ccccc2[N+](=O)[O-])s[nH]1 ZINC000544078243 516571339 /nfs/dbraw/zinc/57/13/39/516571339.db2.gz CDDYUMXRRZCDST-UHFFFAOYSA-N 0 2 352.441 2.897 20 5 FFBDLN C[C@H]1Oc2ccccc2[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000561724356 516734098 /nfs/dbraw/zinc/73/40/98/516734098.db2.gz KBMFTRKDTQTNKW-OTYXRUKQSA-N 0 2 352.343 2.534 20 5 FFBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1noc(Cc2ccccc2)n1 ZINC000552100652 517080905 /nfs/dbraw/zinc/08/09/05/517080905.db2.gz PTLLDLTYYFSPNR-LLVKDONJSA-N 0 2 368.349 2.765 20 5 FFBDLN C[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000537284167 517124947 /nfs/dbraw/zinc/12/49/47/517124947.db2.gz GKVIQZHKWILEMY-GFCCVEGCSA-N 0 2 352.350 2.977 20 5 FFBDLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000538754457 517764628 /nfs/dbraw/zinc/76/46/28/517764628.db2.gz QATQXPAGAGUORX-UHFFFAOYSA-N 0 2 368.342 2.630 20 5 FFBDLN Cc1cc(=NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)[nH]nc1C ZINC000522303414 518073415 /nfs/dbraw/zinc/07/34/15/518073415.db2.gz AQPGWLPIDVEUNS-UHFFFAOYSA-N 0 2 358.401 2.622 20 5 FFBDLN O=C(N[C@@H](CCO)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000564026750 518273145 /nfs/dbraw/zinc/27/31/45/518273145.db2.gz XOLHTVBIUZQTIZ-ZDUSSCGKSA-N 0 2 350.758 2.807 20 5 FFBDLN Cn1ncc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1-c1ccccc1 ZINC000584313260 518277400 /nfs/dbraw/zinc/27/74/00/518277400.db2.gz KEVVXADRJXJSOM-UHFFFAOYSA-N 0 2 358.379 2.796 20 5 FFBDLN CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ncc(C(=O)[O-])s1 ZINC000564982477 518728375 /nfs/dbraw/zinc/72/83/75/518728375.db2.gz BTORXRAECYKDRW-SECBINFHSA-N 0 2 351.384 2.999 20 5 FFBDLN COc1cc(F)c(F)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000570738015 518755428 /nfs/dbraw/zinc/75/54/28/518755428.db2.gz QNHMBKJZKKWERF-UHFFFAOYSA-N 0 2 358.322 2.991 20 5 FFBDLN O=C(Nc1ccnc(OCC(F)(F)F)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000590551715 519261835 /nfs/dbraw/zinc/26/18/35/519261835.db2.gz RTRADBIJEXFGNZ-UHFFFAOYSA-N 0 2 357.244 2.889 20 5 FFBDLN O=C(NCCc1cc(C(F)(F)F)ccn1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000574923197 519408167 /nfs/dbraw/zinc/40/81/67/519408167.db2.gz GAYFFLVYKUQIBY-UHFFFAOYSA-N 0 2 355.272 2.687 20 5 FFBDLN O=C(CCc1ccccc1N1CCOCC1)Nc1cc([N+](=O)[O-])ccc1O ZINC000597442613 520030779 /nfs/dbraw/zinc/03/07/79/520030779.db2.gz MLHOQWDHAMFTDP-UHFFFAOYSA-N 0 2 371.393 2.708 20 5 FFBDLN O=C(NC[C@@H](OC1CCCC1)C(F)(F)F)c1cccc(O)c1[N+](=O)[O-] ZINC000597978475 520359365 /nfs/dbraw/zinc/35/93/65/520359365.db2.gz RZHDECUJNFREJK-GFCCVEGCSA-N 0 2 362.304 2.920 20 5 FFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccnc1N1CCCC1 ZINC000592384617 520360719 /nfs/dbraw/zinc/36/07/19/520360719.db2.gz HUSPVUSAZINUDJ-UHFFFAOYSA-N 0 2 362.411 2.699 20 5 FFBDLN CCc1ccc(S(=O)(=O)Nc2nnc(C(C)C)s2)cc1[N+](=O)[O-] ZINC000592382621 520361352 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COC(=O)C(C)(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000610861303 520878702 /nfs/dbraw/zinc/87/87/02/520878702.db2.gz ZGHIDSPGEOILRS-MRXNPFEDSA-N 0 2 372.377 2.971 20 5 FFBDLN COc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)ccc1F ZINC000619468311 521583468 /nfs/dbraw/zinc/58/34/68/521583468.db2.gz RPUWMWZKGYREFK-UHFFFAOYSA-N 0 2 356.331 2.552 20 5 FFBDLN O=C([O-])[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000739309471 599759464 /nfs/dbraw/zinc/75/94/64/599759464.db2.gz ZKKOCDXYZHTCCI-OAHLLOKOSA-N 0 2 363.757 2.602 20 5 FFBDLN CC[C@]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC000736916486 600129947 /nfs/dbraw/zinc/12/99/47/600129947.db2.gz IZZSJUGEJDGIOY-GOSISDBHSA-N 0 2 357.366 2.513 20 5 FFBDLN CC(C)Cn1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000743265478 735286690 /nfs/dbraw/zinc/28/66/90/735286690.db2.gz OLFXTHJZULCBSH-UHFFFAOYSA-N 0 2 358.807 2.902 20 5 FFBDLN CC(C)COc1ccc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cn1 ZINC000116710029 728573341 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371.802 2.899 20 5 FFBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000769670632 737552054 /nfs/dbraw/zinc/55/20/54/737552054.db2.gz DVTJBTGDACKTGF-UHFFFAOYSA-N 0 2 367.339 2.621 20 5 FFBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H](O)c1c(F)cccc1Cl ZINC000773431454 737905687 /nfs/dbraw/zinc/90/56/87/737905687.db2.gz RWFVTWGGXGTREA-ANRSDYALSA-N 0 2 368.748 2.945 20 5 FFBDLN COc1ccc(C2=N/C(=C\c3ccc([N+](=O)[O-])c(O)c3)C(=O)O2)cc1OC ZINC000748158952 962474309 /nfs/dbraw/zinc/47/43/09/962474309.db2.gz VSGLCIGHBOBWAK-GHXNOFRVSA-N 0 2 370.317 2.662 20 5 FFBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000103202209 969934843 /nfs/dbraw/zinc/93/48/43/969934843.db2.gz ZTYVPWVRWYMUMX-UHFFFAOYSA-N 0 2 354.282 2.540 20 5 FFBDLN CC(C)c1csc(C[NH2+]Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001592008424 976677316 /nfs/dbraw/zinc/67/73/16/976677316.db2.gz MDPLOZHNIYWOKS-UHFFFAOYSA-N 0 2 365.411 2.928 20 5 FFBDLN 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FFBDLN Cc1cc(S(=O)(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)c(C)cc1[N+](=O)[O-] ZINC000414460018 514130863 /nfs/dbraw/zinc/13/08/63/514130863.db2.gz VYKINBPUMKEUAI-ZDUSSCGKSA-N 0 2 366.399 2.587 20 5 FFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nc(CN(C)C)cs2)c1C ZINC000414462202 514132529 /nfs/dbraw/zinc/13/25/29/514132529.db2.gz SUPIAHCUQBIYHF-UHFFFAOYSA-N 0 2 370.456 2.531 20 5 FFBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(OC(F)F)cn1 ZINC000427649227 514278052 /nfs/dbraw/zinc/27/80/52/514278052.db2.gz WGLOZBMMFYTYIP-UHFFFAOYSA-N 0 2 359.310 2.700 20 5 FFBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1noc(Cc2ccccc2)n1 ZINC000432951065 514333853 /nfs/dbraw/zinc/33/38/53/514333853.db2.gz RNXPMXBIGLIUPT-UHFFFAOYSA-N 0 2 374.378 2.678 20 5 FFBDLN CC(C)C[C@@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000424377371 514465022 /nfs/dbraw/zinc/46/50/22/514465022.db2.gz RDHAIIDTGXQOOO-HNNXBMFYSA-N 0 2 365.430 2.586 20 5 FFBDLN COc1ccc(CSCC(=O)Nc2ccc3nn[nH]c3c2)cc1[N+](=O)[O-] ZINC000508013446 514638064 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FFBDLN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000510872472 515696256 /nfs/dbraw/zinc/69/62/56/515696256.db2.gz PTDMXPWZNFAWSE-GFCCVEGCSA-N 0 2 371.393 2.759 20 5 FFBDLN Cc1cc(C)nc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000464413384 515814692 /nfs/dbraw/zinc/81/46/92/515814692.db2.gz CKUFZWHCLCTSBY-UHFFFAOYSA-N 0 2 358.379 2.956 20 5 FFBDLN CCCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)[nH]n1 ZINC000464413932 515814958 /nfs/dbraw/zinc/81/49/58/515814958.db2.gz FVYCXTPDJIDJFD-UHFFFAOYSA-N 0 2 361.383 2.619 20 5 FFBDLN O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469517361 515849137 /nfs/dbraw/zinc/84/91/37/515849137.db2.gz OVWBBTMBCWAAPM-UHFFFAOYSA-N 0 2 369.377 2.969 20 5 FFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(CC(C)C)n[nH]2)c1C ZINC000474425056 516041640 /nfs/dbraw/zinc/04/16/40/516041640.db2.gz IEDPHGTXSMAQET-UHFFFAOYSA-N 0 2 352.416 2.934 20 5 FFBDLN COc1cc(S(=O)(=O)Nc2cccc(Cl)c2O)ccc1[N+](=O)[O-] ZINC000531582633 516540609 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2.587 20 5 FFBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000552453325 517267251 /nfs/dbraw/zinc/26/72/51/517267251.db2.gz NXKCRFCTYGONKC-ZIAGYGMSSA-N 0 2 353.378 2.509 20 5 FFBDLN COc1cc(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)cc([N+](=O)[O-])c1C ZINC000552601334 517318200 /nfs/dbraw/zinc/31/82/00/517318200.db2.gz QDUNQBVTJYWTRO-UHFFFAOYSA-N 0 2 369.337 2.655 20 5 FFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000537767978 517334183 /nfs/dbraw/zinc/33/41/83/517334183.db2.gz JCLNELDYMTWKGE-INIZCTEOSA-N 0 2 371.349 2.670 20 5 FFBDLN COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000556346457 517381959 /nfs/dbraw/zinc/38/19/59/517381959.db2.gz KTKVMMDHDXXZNP-UHFFFAOYSA-N 0 2 370.770 2.836 20 5 FFBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c(F)c1 ZINC000526997313 517440200 /nfs/dbraw/zinc/44/02/00/517440200.db2.gz QNYNHAAWCIIQRM-UHFFFAOYSA-N 0 2 368.342 2.630 20 5 FFBDLN COc1ccccc1OC[C@H](C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000556956187 517773870 /nfs/dbraw/zinc/77/38/70/517773870.db2.gz UZIZVEQAISYBST-GFCCVEGCSA-N 0 2 360.366 2.754 20 5 FFBDLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000557084747 517842797 /nfs/dbraw/zinc/84/27/97/517842797.db2.gz GYMRTYZGRFLZHL-UHFFFAOYSA-N 0 2 364.321 2.819 20 5 FFBDLN CC(C)(C(=O)N=c1nc(-c2cccnc2)[nH]s1)c1ccc([N+](=O)[O-])cc1 ZINC000534436637 517893624 /nfs/dbraw/zinc/89/36/24/517893624.db2.gz UIHPBHKFWUJOKC-UHFFFAOYSA-N 0 2 369.406 2.847 20 5 FFBDLN Cc1ccccc1CCc1cc(=NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[nH][nH]1 ZINC000543382883 518059415 /nfs/dbraw/zinc/05/94/15/518059415.db2.gz KSGFQCFQQKFRIK-UHFFFAOYSA-N 0 2 366.377 2.791 20 5 FFBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000567038407 518321541 /nfs/dbraw/zinc/32/15/41/518321541.db2.gz LPRIGKBFEBBWIK-UHFFFAOYSA-N 0 2 370.408 2.806 20 5 FFBDLN CCOC(=O)c1cc(COC)cc(NC(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000568309843 518973991 /nfs/dbraw/zinc/97/39/91/518973991.db2.gz 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ZINC000378044666 512561725 /nfs/dbraw/zinc/56/17/25/512561725.db2.gz MGWLDIPSHRINQD-AWEZNQCLSA-N 0 2 353.378 2.578 20 5 FFBDLN COc1cccc([C@@H]2CN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CCO2)c1 ZINC000367593222 512575324 /nfs/dbraw/zinc/57/53/24/512575324.db2.gz GSTIGKMTTUWTMY-KRWDZBQOSA-N 0 2 358.350 2.523 20 5 FFBDLN CC[C@@H](CS(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)OC ZINC000421165359 513128630 /nfs/dbraw/zinc/12/86/30/513128630.db2.gz MEYQAGBBKMQDPS-NSHDSACASA-N 0 2 367.221 2.524 20 5 FFBDLN CC(C)c1[nH]nc(C(=O)N=c2nc(-c3ccccc3)[nH]s2)c1[N+](=O)[O-] ZINC000433991748 513210200 /nfs/dbraw/zinc/21/02/00/513210200.db2.gz AHHGDLZCTNMUOJ-UHFFFAOYSA-N 0 2 358.383 2.634 20 5 FFBDLN C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000421920241 513475932 /nfs/dbraw/zinc/47/59/32/513475932.db2.gz JOGUQIGWGPFAAM-NWDGAFQWSA-N 0 2 364.398 2.883 20 5 FFBDLN Cc1cc(S(=O)(=O)Nc2nnc(-c3ccco3)s2)ccc1[N+](=O)[O-] ZINC000442105669 513668676 /nfs/dbraw/zinc/66/86/76/513668676.db2.gz 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COc1ccccc1O[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000436675925 513939016 /nfs/dbraw/zinc/93/90/16/513939016.db2.gz NDBDQAWRYGBCLW-CQSZACIVSA-N 0 2 372.377 2.993 20 5 FFBDLN O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436751300 513966606 /nfs/dbraw/zinc/96/66/06/513966606.db2.gz KAZWNXRMTVCPKS-UHFFFAOYSA-N 0 2 356.382 2.616 20 5 FFBDLN CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000436966275 514054476 /nfs/dbraw/zinc/05/44/76/514054476.db2.gz MEYWYRNAVNIVAB-INIZCTEOSA-N 0 2 352.350 2.885 20 5 FFBDLN C[C@@H]1CN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cn2)C[C@H](C)O1 ZINC000436971238 514056763 /nfs/dbraw/zinc/05/67/63/514056763.db2.gz HWEQXUWWXSEJJU-TXEJJXNPSA-N 0 2 372.381 2.561 20 5 FFBDLN O=C(Nc1cccc(N2C(=O)CCCC2=O)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436998583 514069621 /nfs/dbraw/zinc/06/96/21/514069621.db2.gz IGWOWCGSIJDKHW-UHFFFAOYSA-N 0 2 369.333 2.596 20 5 FFBDLN O=C(Nc1ccc(C(=O)NC2CCCCC2)c(O)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000444361686 514207909 /nfs/dbraw/zinc/20/79/09/514207909.db2.gz FOJZOWBVWJPWEN-UHFFFAOYSA-N 0 2 372.381 2.943 20 5 FFBDLN CCC[C@@]1(C(=O)OCC)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000444605693 514271410 /nfs/dbraw/zinc/27/14/10/514271410.db2.gz DRBZNVHUPNPWEH-KRWDZBQOSA-N 0 2 350.371 2.638 20 5 FFBDLN Cc1noc2ncc(NS(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])cc12 ZINC000438770720 514438641 /nfs/dbraw/zinc/43/86/41/514438641.db2.gz IVYLQNFMGUTAGA-UHFFFAOYSA-N 0 2 362.367 2.857 20 5 FFBDLN COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cc(C)cc(C)c1 ZINC000470643428 514562313 /nfs/dbraw/zinc/56/23/13/514562313.db2.gz WLFDTRRWDJXOSY-MRXNPFEDSA-N 0 2 358.350 2.561 20 5 FFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cn(C)nc2C2CC2)c1 ZINC000461343867 514575040 /nfs/dbraw/zinc/57/50/40/514575040.db2.gz MNPXHKMIZXRBNN-UHFFFAOYSA-N 0 2 350.400 2.623 20 5 FFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(-c3ccccn3)s2)cc1 ZINC000508094096 514665442 /nfs/dbraw/zinc/66/54/42/514665442.db2.gz JQGGGYXMBQOCSN-UHFFFAOYSA-N 0 2 362.392 2.914 20 5 FFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ncc(-c2ccccn2)s1 ZINC000508101369 514668606 /nfs/dbraw/zinc/66/86/06/514668606.db2.gz JARMOBCGCXXNPY-UHFFFAOYSA-N 0 2 362.392 2.914 20 5 FFBDLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1OC ZINC000466967634 514844043 /nfs/dbraw/zinc/84/40/43/514844043.db2.gz PKVFSLNIJONKCT-UHFFFAOYSA-N 0 2 358.397 2.783 20 5 FFBDLN CC[C@H](NC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000489685330 514937831 /nfs/dbraw/zinc/93/78/31/514937831.db2.gz WHILHKXURHYDOS-HNNXBMFYSA-N 0 2 368.349 2.819 20 5 FFBDLN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCO3)c([N+](=O)[O-])c1 ZINC000509591955 515249684 /nfs/dbraw/zinc/24/96/84/515249684.db2.gz RNTCHBYHXGCNAA-UHFFFAOYSA-N 0 2 364.379 2.729 20 5 FFBDLN CC(C)NC(=O)NC1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCCCC1 ZINC000472431242 515265773 /nfs/dbraw/zinc/26/57/73/515265773.db2.gz KBNOYUFUACFIGH-UHFFFAOYSA-N 0 2 364.402 2.649 20 5 FFBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000509645879 515271187 /nfs/dbraw/zinc/27/11/87/515271187.db2.gz FDCAPBZHNWYJLV-UHFFFAOYSA-N 0 2 370.770 2.836 20 5 FFBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000468519669 515397451 /nfs/dbraw/zinc/39/74/51/515397451.db2.gz UJRCRLNDBOPSOV-UHFFFAOYSA-N 0 2 370.770 2.836 20 5 FFBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)c(F)c1 ZINC000468525035 515400600 /nfs/dbraw/zinc/40/06/00/515400600.db2.gz ZIIRVTZPUJJFCI-UHFFFAOYSA-N 0 2 368.342 2.630 20 5 FFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)c1C ZINC000481857527 515490712 /nfs/dbraw/zinc/49/07/12/515490712.db2.gz RNLMYDHNRWKSLA-ZDUSSCGKSA-N 0 2 366.399 2.587 20 5 FFBDLN Cc1cc(C)c(S(=O)(=O)Nc2ccnn2CC(C)C)cc1[N+](=O)[O-] ZINC000493133467 515601069 /nfs/dbraw/zinc/60/10/69/515601069.db2.gz PMHCPNPGAXLVRT-UHFFFAOYSA-N 0 2 352.416 2.865 20 5 FFBDLN O=C(NCCCc1nc2c(s1)CCCC2)c1cc(O)ccc1[N+](=O)[O-] ZINC000511435976 515904273 /nfs/dbraw/zinc/90/42/73/515904273.db2.gz HCVDAQUPVNAZHK-UHFFFAOYSA-N 0 2 361.423 2.998 20 5 FFBDLN CC[C@H](C)c1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cn1 ZINC000478699468 515930523 /nfs/dbraw/zinc/93/05/23/515930523.db2.gz ZXTRTQHZORAWKO-JTQLQIEISA-N 0 2 366.399 2.708 20 5 FFBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cnc(C(C)C)nc2)cc1C ZINC000478703916 515933509 /nfs/dbraw/zinc/93/35/09/515933509.db2.gz SQWQUKANSAMLNM-UHFFFAOYSA-N 0 2 350.400 2.926 20 5 FFBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc(-c2ccccn2)[nH]c1=O ZINC000483442009 516091417 /nfs/dbraw/zinc/09/14/17/516091417.db2.gz RFFMOGJBXNPKAO-UHFFFAOYSA-N 0 2 352.306 2.715 20 5 FFBDLN O=C(NCc1n[nH]c(=O)[nH]1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000474630074 516130066 /nfs/dbraw/zinc/13/00/66/516130066.db2.gz PAIMLQXKRNLRGO-UHFFFAOYSA-N 0 2 370.325 2.533 20 5 FFBDLN COc1ccc(F)cc1NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000488238397 516170997 /nfs/dbraw/zinc/17/09/97/516170997.db2.gz WLNLAALWYMBCLL-UHFFFAOYSA-N 0 2 374.321 2.691 20 5 FFBDLN COC(=O)CCCOc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000512312174 516235692 /nfs/dbraw/zinc/23/56/92/516235692.db2.gz FXNPOGUAJAVOEY-UHFFFAOYSA-N 0 2 374.349 2.885 20 5 FFBDLN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000550824037 516441188 /nfs/dbraw/zinc/44/11/88/516441188.db2.gz BOHXTTAMRTYZBR-QMMMGPOBSA-N 0 2 359.766 2.822 20 5 FFBDLN COc1ccc(CSCC(=O)N=c2ccc(C3CC3)n[nH]2)cc1[N+](=O)[O-] ZINC000517774572 516448268 /nfs/dbraw/zinc/44/82/68/516448268.db2.gz DOYBJJPMFRDEIP-UHFFFAOYSA-N 0 2 374.422 2.565 20 5 FFBDLN COc1ccc(S(=O)(=O)Nc2scnc2C2CC2)cc1[N+](=O)[O-] ZINC000535686678 516448564 /nfs/dbraw/zinc/44/85/64/516448564.db2.gz PJDSITOAIRUYRT-UHFFFAOYSA-N 0 2 355.397 2.738 20 5 FFBDLN COc1cc(OC)c(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1F ZINC000531527453 516509349 /nfs/dbraw/zinc/50/93/49/516509349.db2.gz SSMOXSOMMWDLGK-UHFFFAOYSA-N 0 2 370.358 2.860 20 5 FFBDLN COc1cc(OC)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1F ZINC000531527980 516510285 /nfs/dbraw/zinc/51/02/85/516510285.db2.gz RKFVQWFFXNJGMQ-UHFFFAOYSA-N 0 2 370.358 2.860 20 5 FFBDLN C[C@@H]1Oc2ccccc2[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000561724355 516733515 /nfs/dbraw/zinc/73/35/15/516733515.db2.gz KBMFTRKDTQTNKW-LKFCYVNXSA-N 0 2 352.343 2.534 20 5 FFBDLN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000562146897 516933487 /nfs/dbraw/zinc/93/34/87/516933487.db2.gz NWISUQSENVIHCS-UHFFFAOYSA-N 0 2 363.443 2.872 20 5 FFBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc(=O)n(-c2cccc(F)c2)c1 ZINC000548519012 517030348 /nfs/dbraw/zinc/03/03/48/517030348.db2.gz QYOWUPMYQKNLHF-UHFFFAOYSA-N 0 2 369.308 2.843 20 5 FFBDLN Cn1c(CCCNC(=O)c2cccc(O)c2[N+](=O)[O-])nc2ccccc21 ZINC000537220280 517096247 /nfs/dbraw/zinc/09/62/47/517096247.db2.gz OVSFWZCULMBEHN-UHFFFAOYSA-N 0 2 354.366 2.550 20 5 FFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2noc(C(C)(C)C)n2)c1 ZINC000541833796 517239197 /nfs/dbraw/zinc/23/91/97/517239197.db2.gz NTUKEACUJBJNOG-UHFFFAOYSA-N 0 2 354.388 2.693 20 5 FFBDLN Cc1cc(=NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)[nH]nc1C ZINC000560069734 517561570 /nfs/dbraw/zinc/56/15/70/517561570.db2.gz HVTKBAWBOAQLGZ-UHFFFAOYSA-N 0 2 365.187 2.747 20 5 FFBDLN Cc1cccnc1OC1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000549798360 517712518 /nfs/dbraw/zinc/71/25/18/517712518.db2.gz LLYWCMNHXCHFQD-UHFFFAOYSA-N 0 2 357.366 2.687 20 5 FFBDLN C[C@H]1C[C@@H]1c1ccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])o1 ZINC000521767454 517848871 /nfs/dbraw/zinc/84/88/71/517848871.db2.gz IVIUEMIYPZFHGV-ONGXEEELSA-N 0 2 354.359 2.929 20 5 FFBDLN C[S@](=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000522742741 518157292 /nfs/dbraw/zinc/15/72/92/518157292.db2.gz JWEWNAABWUVNPJ-QFIPXVFZSA-N 0 2 374.827 2.786 20 5 FFBDLN O=C([O-])c1ccnc(N2CCC(CCCn3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000584294232 518269708 /nfs/dbraw/zinc/26/97/08/518269708.db2.gz JZXNKSCHGZMAPI-UHFFFAOYSA-N 0 2 359.386 2.581 20 5 FFBDLN O=C(N=c1ccc(C2CC2)n[nH]1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000575902328 518336605 /nfs/dbraw/zinc/33/66/05/518336605.db2.gz QIYHQRXFYDZTJD-UHFFFAOYSA-N 0 2 366.381 2.530 20 5 FFBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cnc(CC2CC2)nc1 ZINC000578902065 518429149 /nfs/dbraw/zinc/42/91/49/518429149.db2.gz KTSPOTCLKHSYID-UHFFFAOYSA-N 0 2 368.802 2.792 20 5 FFBDLN CCc1ccc(S(=O)(=O)Nc2nnc(CC(C)C)o2)cc1[N+](=O)[O-] ZINC000582122417 518599960 /nfs/dbraw/zinc/59/99/60/518599960.db2.gz NQDMFCFHDOTPRI-UHFFFAOYSA-N 0 2 354.388 2.540 20 5 FFBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc2c1OCCO2 ZINC000589559304 519030164 /nfs/dbraw/zinc/03/01/64/519030164.db2.gz CKZRGESIFJYIEA-UHFFFAOYSA-N 0 2 364.379 2.729 20 5 FFBDLN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCO3)c(F)cc1[N+](=O)[O-] ZINC000590598208 519281861 /nfs/dbraw/zinc/28/18/61/519281861.db2.gz OBFZACKEFJPQQG-UHFFFAOYSA-N 0 2 352.343 2.778 20 5 FFBDLN Cc1cccc(N2CCCN(c3ccc(C(=O)[O-])c[nH+]3)CC2)c1[N+](=O)[O-] ZINC000580649060 519284141 /nfs/dbraw/zinc/28/41/41/519284141.db2.gz NQYCUCOVADTBBQ-UHFFFAOYSA-N 0 2 356.382 2.713 20 5 FFBDLN 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Cc1sc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1[N+](=O)[O-] ZINC000118993719 508702824 /nfs/dbraw/zinc/70/28/24/508702824.db2.gz UNYCNCVRYNUDRT-UHFFFAOYSA-N 0 2 367.408 2.650 20 5 FFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(F)c(F)c(F)c1 ZINC000130446403 508820185 /nfs/dbraw/zinc/82/01/85/508820185.db2.gz JUIHOVNUSNXDKV-UHFFFAOYSA-N 0 2 362.285 2.822 20 5 FFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2oc(C)nc2c1 ZINC000121065086 509120511 /nfs/dbraw/zinc/12/05/11/509120511.db2.gz LPVMQQDNDVICBQ-UHFFFAOYSA-N 0 2 363.351 2.854 20 5 FFBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000179095399 509260127 /nfs/dbraw/zinc/26/01/27/509260127.db2.gz BDUSZBFNGJJWPV-UHFFFAOYSA-N 0 2 374.378 2.794 20 5 FFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000179475389 509465487 /nfs/dbraw/zinc/46/54/87/509465487.db2.gz VAAITZVEXALYRL-MRXNPFEDSA-N 0 2 364.304 2.792 20 5 FFBDLN Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)CC2=O)c1C ZINC000186013796 509480958 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O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000180940136 510194624 /nfs/dbraw/zinc/19/46/24/510194624.db2.gz PVMPSHGLMVIOEI-ZDUSSCGKSA-N 0 2 361.785 2.963 20 5 FFBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2ccn(C)c21 ZINC000190855177 510374782 /nfs/dbraw/zinc/37/47/82/510374782.db2.gz SZUKOXPDLHRYHA-UHFFFAOYSA-N 0 2 361.379 2.896 20 5 FFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000187732229 510406704 /nfs/dbraw/zinc/40/67/04/510406704.db2.gz XZYKYKBKEXNJGI-LLVKDONJSA-N 0 2 350.400 2.872 20 5 FFBDLN Cn1ccnc1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccc(F)c1 ZINC000184620207 510421712 /nfs/dbraw/zinc/42/17/12/510421712.db2.gz VAINDXWOBLIXFG-MRXNPFEDSA-N 0 2 370.340 2.692 20 5 FFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3c[nH]nc3c2)c2ncccc12 ZINC000184770366 510508298 /nfs/dbraw/zinc/50/82/98/510508298.db2.gz DXUUFRCLEPYWIE-UHFFFAOYSA-N 0 2 369.362 2.820 20 5 FFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nnc(C2CCCCC2)o1 ZINC000194783754 510525416 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ZINC000119083134 1022552011 /nfs/dbraw/zinc/55/20/11/1022552011.db2.gz DOQQLZGANPPJOW-UHFFFAOYSA-N 0 2 355.350 2.763 20 5 FFBDLN CC(C)Oc1ccc([C@H](O)CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000753985427 1023409406 /nfs/dbraw/zinc/40/94/06/1023409406.db2.gz HCPHIQRJGYVQNV-QGZVFWFLSA-N 0 2 360.366 2.551 20 5 FFBDLN O=c1[n-]c(C2CC2)nc(O[C@H]2CCN3Cc4ccccc4[NH+]=C23)c1[N+](=O)[O-] ZINC001228609310 1036204097 /nfs/dbraw/zinc/20/40/97/1036204097.db2.gz CKXFEZVQVVCGSU-ZDUSSCGKSA-N 0 2 367.365 2.665 20 5 FFBDLN COC[C@@H](C)OC[C@H](C)Oc1[nH]c(=O)nc2nc3cc(C)c(C)cc3nc21 ZINC001228685725 1036255365 /nfs/dbraw/zinc/25/53/65/1036255365.db2.gz IEGLLIUDIUWGEL-OLZOCXBDSA-N 0 2 372.425 2.714 20 5 FFBDLN CC(C)(C)OC(=O)N1CC=C[C@@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1 ZINC001228970060 1036440457 /nfs/dbraw/zinc/44/04/57/1036440457.db2.gz FHFRVJSHTKFMQI-LLVKDONJSA-N 0 2 352.343 2.560 20 5 FFBDLN Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1cc(O)cc2oc(C)cc(=O)c12 ZINC001234815797 1037188798 /nfs/dbraw/zinc/18/87/98/1037188798.db2.gz ZQPMVTCUMHNHNY-SNVBAGLBSA-N 0 2 359.338 2.688 20 5 FFBDLN Cn1cc2cccc(-c3noc(Cc4ccc(O)c([N+](=O)[O-])c4)n3)c2n1 ZINC001247988826 1040090984 /nfs/dbraw/zinc/09/09/84/1040090984.db2.gz MHRNAJTZAHYRFD-UHFFFAOYSA-N 0 2 351.322 2.828 20 5 FFBDLN COc1cc(OC)cc(-c2noc(Cc3ccc(O)c([N+](=O)[O-])c3)n2)c1 ZINC001247990169 1040091743 /nfs/dbraw/zinc/09/17/43/1040091743.db2.gz TYPRHULOSITQLT-UHFFFAOYSA-N 0 2 357.322 2.958 20 5 FFBDLN COc1ccc(NS(=O)(=O)c2ccc(N)c(Cl)c2)c([N+](=O)[O-])c1 ZINC001248470731 1040291404 /nfs/dbraw/zinc/29/14/04/1040291404.db2.gz WSFNSVMURGXDBX-UHFFFAOYSA-N 0 2 357.775 2.640 20 5 FFBDLN CON(C)C(=O)c1ccc(-c2noc(-c3c(O)cccc3[N+](=O)[O-])n2)cc1 ZINC001216845577 1042142246 /nfs/dbraw/zinc/14/22/46/1042142246.db2.gz WLJYHUBFBFQDHC-UHFFFAOYSA-N 0 2 370.321 2.651 20 5 FFBDLN O=C(Nc1nc2c(cccc2OCC(F)(F)F)s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001289590860 1047706680 /nfs/dbraw/zinc/70/66/80/1047706680.db2.gz NWWQJXPCVQACHC-RNFRBKRXSA-N 0 2 361.301 2.841 20 5 FFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1Cc2ccccc2N2CCC[C@@H]2C1 ZINC001303018844 1051255240 /nfs/dbraw/zinc/25/52/40/1051255240.db2.gz MUFAWUFEDZQFGN-OAHLLOKOSA-N 0 2 353.378 2.925 20 5 FFBDLN Cn1c(-c2ccc(O)c([N+](=O)[O-])c2)nnc1N1CCC(F)(C2CC2)CC1 ZINC001338560233 1055624429 /nfs/dbraw/zinc/62/44/29/1055624429.db2.gz DHQXDAPPXKBEOZ-UHFFFAOYSA-N 0 2 361.377 2.814 20 5 FFBDLN Cc1cnn(CC2CC2)c1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001339007549 1056008978 /nfs/dbraw/zinc/00/89/78/1056008978.db2.gz TWNFRGDUODULDR-UHFFFAOYSA-N 0 2 364.427 2.927 20 5 FFBDLN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1O ZINC001445049766 1058361588 /nfs/dbraw/zinc/36/15/88/1058361588.db2.gz QGYSBCLYUVLHSZ-UHFFFAOYSA-N 0 2 359.338 2.961 20 5 FFBDLN O=[N+]([O-])c1ccc(OS(=O)(=O)c2c[nH]nc2C(F)(F)F)cc1Cl ZINC001462955977 1061863418 /nfs/dbraw/zinc/86/34/18/1061863418.db2.gz YMNKSMBOUCYOCF-UHFFFAOYSA-N 0 2 371.680 2.758 20 5 FFBDLN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccncc2)n[nH]1 ZINC001464640476 1062733965 /nfs/dbraw/zinc/73/39/65/1062733965.db2.gz YPBZENJLZJPZHB-UHFFFAOYSA-N 0 2 356.367 2.749 20 5 FFBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1nccc2cccnc21 ZINC001472504286 1065083064 /nfs/dbraw/zinc/08/30/64/1065083064.db2.gz ZWOUWDOMHJHBIX-UHFFFAOYSA-N 0 2 361.321 2.575 20 5 FFBDLN C[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)n1cc(Br)cn1 ZINC001567230264 1077007239 /nfs/dbraw/zinc/00/72/39/1077007239.db2.gz YVGATGSQAKRCDA-MRVPVSSYSA-N 0 2 369.175 2.849 20 5 FFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(-c2csnn2)cc1 ZINC000033877158 211612813 /nfs/dbraw/zinc/61/28/13/211612813.db2.gz JSUKDJUWXIJELD-UHFFFAOYSA-N 0 2 362.392 2.914 20 5 FFBDLN CC(C)C(=O)Nc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000016121975 211155726 /nfs/dbraw/zinc/15/57/26/211155726.db2.gz AMOOCFNSRGMZLT-UHFFFAOYSA-N 0 2 363.395 2.990 20 5 FFBDLN CN(Cc1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1)C(=O)OC(C)(C)C ZINC000278157308 256282802 /nfs/dbraw/zinc/28/28/02/256282802.db2.gz SBJFLCSPPFTMEJ-UHFFFAOYSA-N 0 2 350.331 2.717 20 5 FFBDLN C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000288361103 257179722 /nfs/dbraw/zinc/17/97/22/257179722.db2.gz WOAFJVVUXWZIQP-LLVKDONJSA-N 0 2 371.397 2.767 20 5 FFBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)COC2 ZINC000410404931 512254568 /nfs/dbraw/zinc/25/45/68/512254568.db2.gz PKUBNCQOCZUZNH-UHFFFAOYSA-N 0 2 364.379 2.825 20 5 FFBDLN Cc1ccc(Cn2nccc2NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000066250463 506459232 /nfs/dbraw/zinc/45/92/32/506459232.db2.gz XGJRVOGZRLPAEK-UHFFFAOYSA-N 0 2 372.406 2.949 20 5 FFBDLN COCCOc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000057124217 507178098 /nfs/dbraw/zinc/17/80/98/507178098.db2.gz UXXXCJCNXGPRSO-UHFFFAOYSA-N 0 2 370.358 2.560 20 5 FFBDLN O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000022290601 507287256 /nfs/dbraw/zinc/28/72/56/507287256.db2.gz OWQWPNUMDQJEGU-UHFFFAOYSA-N 0 2 362.411 2.995 20 5 FFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnc(-c3cccc(O)c3)nc2)cc1 ZINC000057783602 507327438 /nfs/dbraw/zinc/32/74/38/507327438.db2.gz HCLLNJIUBYIUEZ-UHFFFAOYSA-N 0 2 372.362 2.558 20 5 FFBDLN CC(C)C(=O)Nc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000030001466 507799638 /nfs/dbraw/zinc/79/96/38/507799638.db2.gz SHHOTLSNRAVNCB-UHFFFAOYSA-N 0 2 357.366 2.825 20 5 FFBDLN CC(C)Cn1ncc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cnc21 ZINC000092549830 508081110 /nfs/dbraw/zinc/08/11/10/508081110.db2.gz HZSXHZQPGPPGGG-UHFFFAOYSA-N 0 2 355.354 2.953 20 5 FFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@H](COCc2ccccc2)C1 ZINC000075161312 508086988 /nfs/dbraw/zinc/08/69/88/508086988.db2.gz URGQLZWLGBKBRF-HNNXBMFYSA-N 0 2 356.378 2.979 20 5 FFBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C)c(F)cc1F ZINC000084649870 508288613 /nfs/dbraw/zinc/28/86/13/508288613.db2.gz CEBLKWURHYDFAI-UHFFFAOYSA-N 0 2 358.322 2.991 20 5 FFBDLN Cc1sc(S(=O)(=O)Nc2cnc(C(C)(C)C)nc2)cc1[N+](=O)[O-] ZINC000119094748 508724260 /nfs/dbraw/zinc/72/42/60/508724260.db2.gz PFLORLXTJYNZFN-UHFFFAOYSA-N 0 2 356.429 2.853 20 5 FFBDLN Cc1ccc2c(=O)c(C(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)c[nH]c2n1 ZINC000129748964 508761746 /nfs/dbraw/zinc/76/17/46/508761746.db2.gz XLZKMAQQESFODB-UHFFFAOYSA-N 0 2 364.361 2.751 20 5 FFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnc3c(c2)COCC3)c(Cl)c1 ZINC000371488237 512429513 /nfs/dbraw/zinc/42/95/13/512429513.db2.gz JUNYEEPHCWIQLK-UHFFFAOYSA-N 0 2 369.786 2.517 20 5 FFBDLN Cc1ccn(-c2ccccc2CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000152037346 509133630 /nfs/dbraw/zinc/13/36/30/509133630.db2.gz VAXFHXBHJUKIIW-UHFFFAOYSA-N 0 2 352.350 2.725 20 5 FFBDLN Cc1cc(C)c(S(=O)(=O)Nc2c[nH]nc2-c2ccccn2)cc1[N+](=O)[O-] ZINC000191904959 509239009 /nfs/dbraw/zinc/23/90/09/509239009.db2.gz JSESPLPIXCEWQF-UHFFFAOYSA-N 0 2 373.394 2.798 20 5 FFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccccc1C[S@](C)=O ZINC000185654616 509288836 /nfs/dbraw/zinc/28/88/36/509288836.db2.gz MFFABULPMXEHCO-QHCPKHFHSA-N 0 2 368.436 2.583 20 5 FFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000163193587 509350290 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366.333 2.660 20 5 FFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCSC[C@@H]1c1nccs1 ZINC000184155707 510163675 /nfs/dbraw/zinc/16/36/75/510163675.db2.gz BLFBESKBZVYZNU-LLVKDONJSA-N 0 2 351.409 2.687 20 5 FFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000187740672 510412655 /nfs/dbraw/zinc/41/26/55/510412655.db2.gz ZMBCMDGMSFKCAI-JTQLQIEISA-N 0 2 366.399 2.572 20 5 FFBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc2c(c1)CCC(=O)N2 ZINC000184748978 510498098 /nfs/dbraw/zinc/49/80/98/510498098.db2.gz OIDBZMWSUDOMQS-SNVBAGLBSA-N 0 2 355.350 2.676 20 5 FFBDLN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c(O)c1 ZINC000184776796 510512495 /nfs/dbraw/zinc/51/24/95/510512495.db2.gz MZLKCHITPLHUIY-UHFFFAOYSA-N 0 2 359.363 2.958 20 5 FFBDLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000181659660 510525477 /nfs/dbraw/zinc/52/54/77/510525477.db2.gz OYKGQTNWLJESOD-UHFFFAOYSA-N 0 2 352.416 2.865 20 5 FFBDLN Cc1cc(C)c(S(=O)(=O)Nc2nnc(CC(C)(C)C)o2)cc1[N+](=O)[O-] ZINC000194863798 510564300 /nfs/dbraw/zinc/56/43/00/510564300.db2.gz ZVFRRJRWOWTJIT-UHFFFAOYSA-N 0 2 368.415 2.984 20 5 FFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nnc(CC2CCCCC2)o1 ZINC000194896272 510578834 /nfs/dbraw/zinc/57/88/34/510578834.db2.gz IDMQIXUXEHGLLJ-UHFFFAOYSA-N 0 2 366.399 2.901 20 5 FFBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2cccc3c2N=S=N3)c1 ZINC000323113984 511829125 /nfs/dbraw/zinc/82/91/25/511829125.db2.gz PZTYSSSHACMBBH-UHFFFAOYSA-N 0 2 352.353 2.828 20 5 FFBDLN COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000323863142 511831749 /nfs/dbraw/zinc/83/17/49/511831749.db2.gz RQYXYSFQNYUMNJ-UHFFFAOYSA-N 0 2 356.381 2.552 20 5 FFBDLN CCC(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000325958665 511852835 /nfs/dbraw/zinc/85/28/35/511852835.db2.gz PAXPOWKILOMWKQ-UHFFFAOYSA-N 0 2 350.352 2.694 20 5 FFBDLN C[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1nccn1-c1ccccc1 ZINC000366233329 511914743 /nfs/dbraw/zinc/91/47/43/511914743.db2.gz CCMFSPFEYZTTMF-GFCCVEGCSA-N 0 2 352.350 2.977 20 5 FFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(Oc2ncccc2F)CC1 ZINC000375712321 512468212 /nfs/dbraw/zinc/46/82/12/512468212.db2.gz RKWDKDDUTHURIA-UHFFFAOYSA-N 0 2 361.329 2.518 20 5 FFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCN(c2ccccc2F)CC1 ZINC000376484328 512838255 /nfs/dbraw/zinc/83/82/55/512838255.db2.gz KIFQXXDJXDGZKR-UHFFFAOYSA-N 0 2 359.357 2.792 20 5 FFBDLN O=C(N[C@@H]1CCOc2c(F)ccc(F)c21)c1cccc(O)c1[N+](=O)[O-] ZINC000428662650 513156595 /nfs/dbraw/zinc/15/65/95/513156595.db2.gz COXHSAUDUCBOTQ-LLVKDONJSA-N 0 2 350.277 2.832 20 5 FFBDLN C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000421918630 513474531 /nfs/dbraw/zinc/47/45/31/513474531.db2.gz IKNZIYBHLLJALY-NWDGAFQWSA-N 0 2 364.398 2.883 20 5 FFBDLN CCOc1ncc(C)cc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000451072987 513498817 /nfs/dbraw/zinc/49/88/17/513498817.db2.gz PVIVOOPJJOJWPD-UHFFFAOYSA-N 0 2 351.384 2.806 20 5 FFBDLN C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000421977579 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C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436748091 513963803 /nfs/dbraw/zinc/96/38/03/513963803.db2.gz PQCIQKVZLCKRGK-GFCCVEGCSA-N 0 2 359.357 2.790 20 5 FFBDLN COc1ccc(S(=O)(=O)Nc2ncccc2C(C)C)cc1[N+](=O)[O-] ZINC000443421383 513966043 /nfs/dbraw/zinc/96/60/43/513966043.db2.gz CNQJKWJFTMVTAN-UHFFFAOYSA-N 0 2 351.384 2.923 20 5 FFBDLN COC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(C)c(C)c1 ZINC000436825182 513997855 /nfs/dbraw/zinc/99/78/55/513997855.db2.gz JVPPPCGILNEDTI-MRXNPFEDSA-N 0 2 358.350 2.561 20 5 FFBDLN O=C(N[C@@H]1CCOc2c(F)ccc(F)c21)c1cc([N+](=O)[O-])ccc1O ZINC000436840301 514003632 /nfs/dbraw/zinc/00/36/32/514003632.db2.gz RUKBGQOLKIFUGD-GFCCVEGCSA-N 0 2 350.277 2.832 20 5 FFBDLN COC(=O)[C@H](C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000436863577 514012654 /nfs/dbraw/zinc/01/26/54/514012654.db2.gz JJEJLIRWAKVZRK-BDJLRTHQSA-N 0 2 358.350 2.581 20 5 FFBDLN COc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c2ccccc2n1 ZINC000436868425 514014316 /nfs/dbraw/zinc/01/43/16/514014316.db2.gz JCCIFAPULPUHRM-UHFFFAOYSA-N 0 2 353.334 2.787 20 5 FFBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccc(-n2cccn2)c1 ZINC000436875933 514018407 /nfs/dbraw/zinc/01/84/07/514018407.db2.gz ZFQDVEFTENPASK-LBPRGKRZSA-N 0 2 352.350 2.977 20 5 FFBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(Br)cn1 ZINC000436898407 514026065 /nfs/dbraw/zinc/02/60/65/514026065.db2.gz APWBBDYXBTXFRN-MRVPVSSYSA-N 0 2 366.171 2.949 20 5 FFBDLN COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000436958774 514050940 /nfs/dbraw/zinc/05/09/40/514050940.db2.gz COQGHWMFBGURSH-GTNSWQLSSA-N 0 2 360.366 2.815 20 5 FFBDLN Cc1cn2c([nH+]1)[C@@H](CN=c1[n-]c(-c3ccc([N+](=O)[O-])cc3)no1)CCC2 ZINC000443881168 514061383 /nfs/dbraw/zinc/06/13/83/514061383.db2.gz HBJRHLLOYOJHCU-CYBMUJFWSA-N 0 2 354.370 2.561 20 5 FFBDLN COCCOc1cc(C)ccc1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000437006338 514072915 /nfs/dbraw/zinc/07/29/15/514072915.db2.gz XIHWSPWQCAKRHB-UHFFFAOYSA-N 0 2 360.366 2.564 20 5 FFBDLN Cc1cc(S(=O)(=O)Nc2cnn(CC(C)C)c2)c(C)cc1[N+](=O)[O-] ZINC000414375906 514074458 /nfs/dbraw/zinc/07/44/58/514074458.db2.gz SLTWLFSANOHGHY-UHFFFAOYSA-N 0 2 352.416 2.865 20 5 FFBDLN Cc1cc(F)cc2c(O)c(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cnc12 ZINC000433382167 514478827 /nfs/dbraw/zinc/47/88/27/514478827.db2.gz CFRYFRXGGYWYBM-UHFFFAOYSA-N 0 2 357.297 2.842 20 5 FFBDLN Cc1nn(C)c2cc(NS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])ccc12 ZINC000461346467 514576298 /nfs/dbraw/zinc/57/62/98/514576298.db2.gz ZENFDMCEYRXHKB-UHFFFAOYSA-N 0 2 360.395 2.899 20 5 FFBDLN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nn[nH]c3c2)cc1OC ZINC000508078062 514658104 /nfs/dbraw/zinc/65/81/04/514658104.db2.gz DYFPEGBTLJAZPS-UHFFFAOYSA-N 0 2 357.326 2.526 20 5 FFBDLN COCc1cnc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)s1 ZINC000508093923 514664966 /nfs/dbraw/zinc/66/49/66/514664966.db2.gz IRRPOBRMSQTTOW-UHFFFAOYSA-N 0 2 357.413 2.615 20 5 FFBDLN COC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1F ZINC000466961355 514842534 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Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cnc(C(C)C)nc2)c1 ZINC000478697884 515931274 /nfs/dbraw/zinc/93/12/74/515931274.db2.gz NKOWZNMECYKOJL-UHFFFAOYSA-N 0 2 350.400 2.926 20 5 FFBDLN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000501243750 516026811 /nfs/dbraw/zinc/02/68/11/516026811.db2.gz JPBSBQSGRLHYMY-UHFFFAOYSA-N 0 2 352.350 2.963 20 5 FFBDLN CCN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000536103191 516631025 /nfs/dbraw/zinc/63/10/25/516631025.db2.gz NRAZCKLSNNTGEY-HNNXBMFYSA-N 0 2 369.377 2.568 20 5 FFBDLN CCOc1ncccc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000541800970 517220946 /nfs/dbraw/zinc/22/09/46/517220946.db2.gz UGUFDQOCRXZSTI-UHFFFAOYSA-N 0 2 351.384 2.806 20 5 FFBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Br)cc2O)c1 ZINC000559768467 517419528 /nfs/dbraw/zinc/41/95/28/517419528.db2.gz JBQPZHYEGWPBDF-UHFFFAOYSA-N 0 2 373.184 2.864 20 5 FFBDLN COc1cc(F)c([C@H](C)NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1OC ZINC000538322334 517564126 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0 2 371.393 2.778 20 5 FFBDLN O=C(N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000579385683 518655533 /nfs/dbraw/zinc/65/55/33/518655533.db2.gz JNYLSSQRQGEUEF-HOCLYGCPSA-N 0 2 364.304 2.839 20 5 FFBDLN COc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ncccc12 ZINC000571013283 518882939 /nfs/dbraw/zinc/88/29/39/518882939.db2.gz MKWPNLBVSBLALE-UHFFFAOYSA-N 0 2 359.363 2.952 20 5 FFBDLN COC(=O)c1cccc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)c1 ZINC000590597658 519281021 /nfs/dbraw/zinc/28/10/21/519281021.db2.gz NYHBQPBZJWIHLK-UHFFFAOYSA-N 0 2 368.342 2.630 20 5 FFBDLN CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000577853089 519291426 /nfs/dbraw/zinc/29/14/26/519291426.db2.gz VPPNUTNMCXWRFE-UHFFFAOYSA-N 0 2 364.789 2.759 20 5 FFBDLN CCOc1ncc(C)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000590743406 519343563 /nfs/dbraw/zinc/34/35/63/519343563.db2.gz KHPQWWLYEIAYDB-UHFFFAOYSA-N 0 2 367.383 2.506 20 5 FFBDLN C[C@@H](C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1)c1cccc([N+](=O)[O-])c1 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ZINC000412505678 513140828 /nfs/dbraw/zinc/14/08/28/513140828.db2.gz KIDUBXLXERCGQD-SNVBAGLBSA-N 0 2 350.371 2.635 20 5 FFBDLN Cc1ccc(S(=O)(=O)Nc2ccc3ccc(=O)n(C)c3c2)c([N+](=O)[O-])c1 ZINC000447261694 513429777 /nfs/dbraw/zinc/42/97/77/513429777.db2.gz AIVAFPCIKKHDLG-UHFFFAOYSA-N 0 2 373.390 2.556 20 5 FFBDLN C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000421920242 513476344 /nfs/dbraw/zinc/47/63/44/513476344.db2.gz JOGUQIGWGPFAAM-RYUDHWBXSA-N 0 2 364.398 2.883 20 5 FFBDLN CCOc1ncc(C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000451069807 513498109 /nfs/dbraw/zinc/49/81/09/513498109.db2.gz GGMSECOPHHNJCJ-UHFFFAOYSA-N 0 2 367.383 2.506 20 5 FFBDLN COC(=O)c1cc(NC(=O)c2cc(F)c(O)c(F)c2)cc([N+](=O)[O-])c1 ZINC000436523932 513885099 /nfs/dbraw/zinc/88/50/99/513885099.db2.gz WXCGWTSPCBEFCS-UHFFFAOYSA-N 0 2 352.249 2.618 20 5 FFBDLN C[C@@H](CN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H](C)CO)c1ccccc1 ZINC000436738112 513962782 /nfs/dbraw/zinc/96/27/82/513962782.db2.gz NESRUININBTPAG-KBPBESRZSA-N 0 2 358.394 2.927 20 5 FFBDLN NC(=O)CCSc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436869017 514016753 /nfs/dbraw/zinc/01/67/53/514016753.db2.gz BYOPQGWWTXDOHS-UHFFFAOYSA-N 0 2 361.379 2.520 20 5 FFBDLN C[NH+](C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])c1c(F)cccc1F ZINC000436924375 514036414 /nfs/dbraw/zinc/03/64/14/514036414.db2.gz GKKFYLVYXCEYRM-CQSZACIVSA-N 0 2 365.336 2.611 20 5 FFBDLN COCCCOc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000436955494 514048718 /nfs/dbraw/zinc/04/87/18/514048718.db2.gz GPSUKDOBGATSRL-UHFFFAOYSA-N 0 2 360.366 2.646 20 5 FFBDLN CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436959067 514051168 /nfs/dbraw/zinc/05/11/68/514051168.db2.gz LRNIFGHLZGKVHL-SNVBAGLBSA-N 0 2 359.338 2.526 20 5 FFBDLN O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000436988813 514064151 /nfs/dbraw/zinc/06/41/51/514064151.db2.gz MYLCDZPOQFBLOY-UHFFFAOYSA-N 0 2 358.398 2.830 20 5 FFBDLN Cc1cc(S(=O)(=O)Nc2ccc(OC(C)C)nn2)c(C)cc1[N+](=O)[O-] ZINC000414462737 514133465 /nfs/dbraw/zinc/13/34/65/514133465.db2.gz YVCIEARTDJBDAY-UHFFFAOYSA-N 0 2 366.399 2.590 20 5 FFBDLN O=C(Nc1cc(Br)cc(Cl)c1O)c1n[nH]cc1[N+](=O)[O-] ZINC000497703425 514602186 /nfs/dbraw/zinc/60/21/86/514602186.db2.gz ZRWOWKMDBHGWJN-UHFFFAOYSA-N 0 2 361.539 2.692 20 5 FFBDLN CCOc1ccccc1N1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000507900468 514603118 /nfs/dbraw/zinc/60/31/18/514603118.db2.gz CJYDWOFNZDVEPK-UHFFFAOYSA-N 0 2 371.393 2.662 20 5 FFBDLN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2cnccc2C(F)(F)F)c1 ZINC000475834831 514828580 /nfs/dbraw/zinc/82/85/80/514828580.db2.gz QNYXHPOLYDHYAN-UHFFFAOYSA-N 0 2 365.264 2.949 20 5 FFBDLN Cc1ccc(S(=O)(=O)Nc2c3c(nn2C(C)C)CCC3)cc1[N+](=O)[O-] ZINC000471912967 515052186 /nfs/dbraw/zinc/05/21/86/515052186.db2.gz BMBQHKOUHHHFLF-UHFFFAOYSA-N 0 2 364.427 2.970 20 5 FFBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(Br)c(F)c2)[nH]1 ZINC000486030587 515304766 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Cc1cc(F)ccc1N1CC(=O)C(C(=O)NCc2cccc([N+](=O)[O-])c2)=N1 ZINC000531197000 516342470 /nfs/dbraw/zinc/34/24/70/516342470.db2.gz IZKZRWXWDLFHGS-UHFFFAOYSA-N 0 2 370.340 2.864 20 5 FFBDLN COC(=O)c1cc(C)nc(Nc2cc(C)n([C@H](C)C3CC3)n2)c1[N+](=O)[O-] ZINC000557632474 516348184 /nfs/dbraw/zinc/34/81/84/516348184.db2.gz KKVIIBDIIHNUSU-LLVKDONJSA-N 0 2 359.386 2.726 20 5 FFBDLN COC(=O)c1cc(C)nc(Nc2cc(C)n([C@@H](C)C3CC3)n2)c1[N+](=O)[O-] ZINC000557632476 516348320 /nfs/dbraw/zinc/34/83/20/516348320.db2.gz KKVIIBDIIHNUSU-NSHDSACASA-N 0 2 359.386 2.726 20 5 FFBDLN CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000535516872 516382843 /nfs/dbraw/zinc/38/28/43/516382843.db2.gz OYUCGFPIPXOIGC-UHFFFAOYSA-N 0 2 364.379 2.735 20 5 FFBDLN CC(C)c1nc([C@@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n[nH]1 ZINC000535691513 516450421 /nfs/dbraw/zinc/45/04/21/516450421.db2.gz GANPTCJOMUORGS-MRVPVSSYSA-N 0 2 373.822 2.529 20 5 FFBDLN CCCCn1cc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c(C)n1 ZINC000540217471 516481994 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Cc1cc2cc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])ccc2n(C)c1=O ZINC000553579701 517795500 /nfs/dbraw/zinc/79/55/00/517795500.db2.gz SROHOTYHCFAYHH-UHFFFAOYSA-N 0 2 353.334 2.713 20 5 FFBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(N2CCc3ccccc32)CC1 ZINC000560710287 517981633 /nfs/dbraw/zinc/98/16/33/517981633.db2.gz CEQMIYGIFZOMNC-UHFFFAOYSA-N 0 2 367.405 2.968 20 5 FFBDLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000517057901 518002343 /nfs/dbraw/zinc/00/23/43/518002343.db2.gz UKYUFMSPJUALQV-UHFFFAOYSA-N 0 2 353.338 2.955 20 5 FFBDLN CCOC(=O)CC1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCCCC1 ZINC000534820070 518046261 /nfs/dbraw/zinc/04/62/61/518046261.db2.gz CQOWXEANINNUGV-UHFFFAOYSA-N 0 2 364.398 2.934 20 5 FFBDLN CC(C)n1cc(C2=CCCN(C(=O)c3cccc(O)c3[N+](=O)[O-])CC2)nn1 ZINC000572984542 518453094 /nfs/dbraw/zinc/45/30/94/518453094.db2.gz HEVSXFUZXDOJAK-UHFFFAOYSA-N 0 2 371.397 2.792 20 5 FFBDLN O=C(NCCOc1ncccc1C(F)(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000579624060 518771395 /nfs/dbraw/zinc/77/13/95/518771395.db2.gz KXAHXFWOMYOJGS-UHFFFAOYSA-N 0 2 371.271 2.523 20 5 FFBDLN CC(C)(C)c1ccc(NS(=O)(=O)c2cnc3n2CCC3)cc1[N+](=O)[O-] ZINC000570787548 518778258 /nfs/dbraw/zinc/77/82/58/518778258.db2.gz KDVOZIFOBFFRLB-UHFFFAOYSA-N 0 2 364.427 2.836 20 5 FFBDLN COc1cc(F)c(F)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000589558064 519030979 /nfs/dbraw/zinc/03/09/79/519030979.db2.gz USKWJBPJABEIGK-UHFFFAOYSA-N 0 2 374.321 2.691 20 5 FFBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000580849610 519390999 /nfs/dbraw/zinc/39/09/99/519390999.db2.gz LMZDUMHTETXBNC-QMMMGPOBSA-N 0 2 366.171 2.949 20 5 FFBDLN CC1(c2nc(=NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)s[nH]2)CC1 ZINC000600228631 520140018 /nfs/dbraw/zinc/14/00/18/520140018.db2.gz OLLXWSBURYHZPI-UHFFFAOYSA-N 0 2 359.411 2.746 20 5 FFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2c1ccn2C ZINC000608874869 520152587 /nfs/dbraw/zinc/15/25/87/520152587.db2.gz FIGXOPFWEXUEBM-UHFFFAOYSA-N 0 2 361.379 2.896 20 5 FFBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccnc1N1CCCC1 ZINC000592384745 520361568 /nfs/dbraw/zinc/36/15/68/520361568.db2.gz WIDGKHBBSRWYGM-UHFFFAOYSA-N 0 2 362.411 2.699 20 5 FFBDLN Cn1c(-c2ccccc2)nnc1-n1[nH]c(-c2ccc([N+](=O)[O-])cc2)cc1=O ZINC000603920951 520405111 /nfs/dbraw/zinc/40/51/11/520405111.db2.gz HAGWVNMFXXDAJT-UHFFFAOYSA-N 0 2 362.349 2.531 20 5 FFBDLN COc1cc(Cl)ccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000592993764 520674412 /nfs/dbraw/zinc/67/44/12/520674412.db2.gz JEPVMBGEDHSPKA-UHFFFAOYSA-N 0 2 358.759 2.763 20 5 FFBDLN COc1ccccc1-c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000610513098 520722654 /nfs/dbraw/zinc/72/26/54/520722654.db2.gz HVRRQCPDWBSMJP-UHFFFAOYSA-N 0 2 374.378 2.794 20 5 FFBDLN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000595884197 520792495 /nfs/dbraw/zinc/79/24/95/520792495.db2.gz IGWHCPZAUSNYOO-WFASDCNBSA-N 0 2 369.377 2.606 20 5 FFBDLN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 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512977611 /nfs/dbraw/zinc/97/76/11/512977611.db2.gz KGMDQUGCDCSIGP-AWEZNQCLSA-N 0 2 364.379 2.520 20 5 FFBDLN O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000374870656 513047244 /nfs/dbraw/zinc/04/72/44/513047244.db2.gz AWTAZTLJTFAINV-CQSZACIVSA-N 0 2 361.785 2.741 20 5 FFBDLN CO[C@H](Cc1ccccc1)CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000421225885 513164025 /nfs/dbraw/zinc/16/40/25/513164025.db2.gz AKSAPMNGLLENSD-MRXNPFEDSA-N 0 2 350.396 2.594 20 5 FFBDLN O=C(Cc1ccccc1O[C@H]1CCOC1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000450544266 513243871 /nfs/dbraw/zinc/24/38/71/513243871.db2.gz ZVVPLYDUKGXNFQ-AWEZNQCLSA-N 0 2 358.350 2.649 20 5 FFBDLN Cn1cnc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc21 ZINC000435191480 513530376 /nfs/dbraw/zinc/53/03/76/513530376.db2.gz CMRTZBIZKSYEBV-UHFFFAOYSA-N 0 2 366.786 2.936 20 5 FFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(-c3ccco3)s2)cc1 ZINC000442106500 513668646 /nfs/dbraw/zinc/66/86/46/513668646.db2.gz JBFFRSBIUOHSNN-UHFFFAOYSA-N 0 2 352.353 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352.416 2.846 20 5 FFBDLN CCC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000433603549 514527302 /nfs/dbraw/zinc/52/73/02/514527302.db2.gz JNOPCNIJALMGSY-UHFFFAOYSA-N 0 2 364.379 2.997 20 5 FFBDLN COC(=O)c1c(C)csc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000508069351 514654432 /nfs/dbraw/zinc/65/44/32/514654432.db2.gz QSEQUIPKHIITBP-UHFFFAOYSA-N 0 2 370.408 2.861 20 5 FFBDLN COCc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000508099683 514667639 /nfs/dbraw/zinc/66/76/39/514667639.db2.gz VSFZRFPBGNKBGT-UHFFFAOYSA-N 0 2 363.804 2.652 20 5 FFBDLN C[C@@H](CN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H](C)CO)c1ccccc1 ZINC000489472649 514859886 /nfs/dbraw/zinc/85/98/86/514859886.db2.gz HOXBJWZETJGYMG-KBPBESRZSA-N 0 2 358.394 2.927 20 5 FFBDLN COc1cc(O)cc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC000480213627 514882577 /nfs/dbraw/zinc/88/25/77/514882577.db2.gz LHRUISPYZYYAMY-UHFFFAOYSA-N 0 2 352.368 2.727 20 5 FFBDLN CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1C ZINC000480240330 514893171 /nfs/dbraw/zinc/89/31/71/514893171.db2.gz KNCBHJIROPSSEQ-JTQLQIEISA-N 0 2 368.415 2.880 20 5 FFBDLN COc1cc2c(cc1OC)CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000503494989 515053889 /nfs/dbraw/zinc/05/38/89/515053889.db2.gz OPDMMLWXYDDCNX-UHFFFAOYSA-N 0 2 358.350 2.516 20 5 FFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c1C ZINC000480725046 515060147 /nfs/dbraw/zinc/06/01/47/515060147.db2.gz WUCZSMGTTZDOAQ-UHFFFAOYSA-N 0 2 364.379 2.784 20 5 FFBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C1CCC(OC[C@@H]2CCCO2)CC1 ZINC000499067724 515186270 /nfs/dbraw/zinc/18/62/70/515186270.db2.gz KHYFKBRTOUYUGG-ZALBZXLWSA-N 0 2 364.398 2.993 20 5 FFBDLN Cc1ccn2cc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)nc2c1 ZINC000490374408 515189638 /nfs/dbraw/zinc/18/96/38/515189638.db2.gz USHKBXSFJQUJNQ-UHFFFAOYSA-N 0 2 363.337 2.588 20 5 FFBDLN Cc1ccc(C)c(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000476788670 515196654 /nfs/dbraw/zinc/19/66/54/515196654.db2.gz JTUZESWUHLRCBA-UHFFFAOYSA-N 0 2 364.379 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364.379 2.563 20 5 FFBDLN COc1ccc(F)cc1[C@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000327678530 511879084 /nfs/dbraw/zinc/87/90/84/511879084.db2.gz CGFRZYRIFSCWMF-VIFPVBQESA-N 0 2 372.349 2.921 20 5 FFBDLN O=C(NCC1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)C(F)(F)F ZINC000281952861 512024074 /nfs/dbraw/zinc/02/40/74/512024074.db2.gz SIMQOYFVJWOQKZ-UHFFFAOYSA-N 0 2 367.274 2.768 20 5 FFBDLN CC(=O)Nc1cccc2c1CCCN2C(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000371828446 512592742 /nfs/dbraw/zinc/59/27/42/512592742.db2.gz INAASJNJPSKICA-UHFFFAOYSA-N 0 2 355.350 2.852 20 5 FFBDLN CCOc1ccc(NS(=O)(=O)c2cccc3c2OCC3)c([N+](=O)[O-])c1 ZINC000421228360 513165433 /nfs/dbraw/zinc/16/54/33/513165433.db2.gz DRYVPQZGQMPSQU-UHFFFAOYSA-N 0 2 364.379 2.729 20 5 FFBDLN COC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CCCCC1 ZINC000440309575 513290600 /nfs/dbraw/zinc/29/06/00/513290600.db2.gz WJADKBVMBOFBMP-CYBMUJFWSA-N 0 2 350.371 2.542 20 5 FFBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1c[nH]nc1-c1nccs1 ZINC000446943488 513364056 /nfs/dbraw/zinc/36/40/56/513364056.db2.gz JRWDOAPNRDPQAV-UHFFFAOYSA-N 0 2 365.396 2.551 20 5 FFBDLN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000421920243 513476657 /nfs/dbraw/zinc/47/66/57/513476657.db2.gz JOGUQIGWGPFAAM-VXGBXAGGSA-N 0 2 364.398 2.883 20 5 FFBDLN C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000421992377 513508540 /nfs/dbraw/zinc/50/85/40/513508540.db2.gz QXAOUDFLNYRCOP-NEPJUHHUSA-N 0 2 364.398 2.740 20 5 FFBDLN Cc1sc(S(=O)(=O)Nc2cccc(N3CCC3=O)c2)cc1[N+](=O)[O-] ZINC000447786579 513567968 /nfs/dbraw/zinc/56/79/68/513567968.db2.gz NABFXECSYCTBSW-UHFFFAOYSA-N 0 2 367.408 2.502 20 5 FFBDLN COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000436194872 513790755 /nfs/dbraw/zinc/79/07/55/513790755.db2.gz DYTQGBQYYRSLIN-UHFFFAOYSA-N 0 2 370.408 2.861 20 5 FFBDLN CN(CCc1nc(-c2ccccc2)no1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436631435 513924129 /nfs/dbraw/zinc/92/41/29/513924129.db2.gz UWYPUFMWUFMBCQ-UHFFFAOYSA-N 0 2 368.349 2.665 20 5 FFBDLN CCNC(=O)N1CCc2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc21 ZINC000436634999 513924392 /nfs/dbraw/zinc/92/43/92/513924392.db2.gz OGJVIDILPIBYIS-UHFFFAOYSA-N 0 2 370.365 2.645 20 5 FFBDLN COc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)c2ccccc2n1 ZINC000436669406 513936479 /nfs/dbraw/zinc/93/64/79/513936479.db2.gz KZBNURCSSUMKKU-UHFFFAOYSA-N 0 2 353.334 2.787 20 5 FFBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1cccc(N2CCCC2=O)c1 ZINC000436669178 513937524 /nfs/dbraw/zinc/93/75/24/513937524.db2.gz HRLYLMFPBMIYBL-GFCCVEGCSA-N 0 2 369.377 2.918 20 5 FFBDLN O=C(NCCOc1ccc(C(F)(F)F)cn1)c1cc([N+](=O)[O-])ccc1O ZINC000436682862 513941997 /nfs/dbraw/zinc/94/19/97/513941997.db2.gz XJNHCFNLGVRFEJ-UHFFFAOYSA-N 0 2 371.271 2.523 20 5 FFBDLN Cn1cc[nH+]c1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccc(F)cc1 ZINC000436773577 513975037 /nfs/dbraw/zinc/97/50/37/513975037.db2.gz SHASOWFHUZXHJA-OAHLLOKOSA-N 0 2 370.340 2.692 20 5 FFBDLN COc1cc(F)c([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1OC ZINC000436868239 514015221 /nfs/dbraw/zinc/01/52/21/514015221.db2.gz HTTQXLIMHCIAKC-VIFPVBQESA-N 0 2 364.329 2.948 20 5 FFBDLN CCOC(=O)CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436868446 514015235 /nfs/dbraw/zinc/01/52/35/514015235.db2.gz JIGFRFDXQMTUFK-UHFFFAOYSA-N 0 2 358.350 2.506 20 5 FFBDLN Cn1cc(-c2ccccc2CNC(=O)c2ccc([N+](=O)[O-])cc2O)cn1 ZINC000436904165 514027696 /nfs/dbraw/zinc/02/76/96/514027696.db2.gz XZKHOPPPGNKPLC-UHFFFAOYSA-N 0 2 352.350 2.631 20 5 FFBDLN Cc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)nn1-c1ccc(F)cc1F ZINC000436924487 514036554 /nfs/dbraw/zinc/03/65/54/514036554.db2.gz FWNIRRJXZABJDD-UHFFFAOYSA-N 0 2 374.303 2.747 20 5 FFBDLN O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436957093 514049993 /nfs/dbraw/zinc/04/99/93/514049993.db2.gz RVMXYLNFYSYGBN-UHFFFAOYSA-N 0 2 356.382 2.616 20 5 FFBDLN CCc1ccc2c(c1)[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1O)C(=O)N2 ZINC000436971448 514055949 /nfs/dbraw/zinc/05/59/49/514055949.db2.gz ITRNOUAECLQEKW-ZDUSSCGKSA-N 0 2 369.377 2.719 20 5 FFBDLN CCCCc1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)s1 ZINC000437182863 514108157 /nfs/dbraw/zinc/10/81/57/514108157.db2.gz JTRQWCFVGFLZBM-UHFFFAOYSA-N 0 2 372.428 2.598 20 5 FFBDLN Cc1nn(C)c2cc(NS(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])ccc12 ZINC000461342188 514575322 /nfs/dbraw/zinc/57/53/22/514575322.db2.gz HSHGXHVDQXJACL-UHFFFAOYSA-N 0 2 360.395 2.899 20 5 FFBDLN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000475830844 514827375 /nfs/dbraw/zinc/82/73/75/514827375.db2.gz USSKEERJWNIDHW-UHFFFAOYSA-N 0 2 362.342 2.720 20 5 FFBDLN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)c(F)c1 ZINC000480198386 514876685 /nfs/dbraw/zinc/87/66/85/514876685.db2.gz PEGHDQFSHLIUNL-UHFFFAOYSA-N 0 2 356.331 2.552 20 5 FFBDLN C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000498463602 514914122 /nfs/dbraw/zinc/91/41/22/514914122.db2.gz NFHMZBZZRBIEAO-LLVKDONJSA-N 0 2 358.350 2.780 20 5 FFBDLN COc1cc(C)c(CN(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])cc1OC ZINC000503681155 515115730 /nfs/dbraw/zinc/11/57/30/515115730.db2.gz AOHHWCVOPCSSJZ-UHFFFAOYSA-N 0 2 360.366 2.898 20 5 FFBDLN Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000499327044 515286213 /nfs/dbraw/zinc/28/62/13/515286213.db2.gz GVNXGCXSOXWTCV-UHFFFAOYSA-N 0 2 360.342 2.982 20 5 FFBDLN O=C1Cc2cc(NS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc2N1 ZINC000505280733 515494747 /nfs/dbraw/zinc/49/47/47/515494747.db2.gz KVXCIUWQHIROOP-UHFFFAOYSA-N 0 2 367.770 2.544 20 5 FFBDLN CC(C)(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000469624618 515895501 /nfs/dbraw/zinc/89/55/01/515895501.db2.gz CKYLPVMYMJGWKH-UHFFFAOYSA-N 0 2 372.377 2.779 20 5 FFBDLN O=C(Nc1cc(F)cc(N2CCOCC2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469636400 515899322 /nfs/dbraw/zinc/89/93/22/515899322.db2.gz YIGLZCFYKNQDSC-UHFFFAOYSA-N 0 2 361.329 2.528 20 5 FFBDLN COc1c(F)cc(S(=O)(=O)Nc2c(C)cccc2O)cc1[N+](=O)[O-] ZINC000488233828 516168774 /nfs/dbraw/zinc/16/87/74/516168774.db2.gz OIALFGXPHWBSDP-UHFFFAOYSA-N 0 2 356.331 2.557 20 5 FFBDLN COC(=O)c1sccc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000554938547 516708020 /nfs/dbraw/zinc/70/80/20/516708020.db2.gz LCJHSVYOKDXSTL-UHFFFAOYSA-N 0 2 370.408 2.861 20 5 FFBDLN O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000526047189 517311684 /nfs/dbraw/zinc/31/16/84/517311684.db2.gz HASMQMAJTKREQR-UHFFFAOYSA-N 0 2 372.362 2.669 20 5 FFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(CSc2nc[nH]n2)cc1 ZINC000537771093 517336787 /nfs/dbraw/zinc/33/67/87/517336787.db2.gz DXMDTZUSURPBFR-UHFFFAOYSA-N 0 2 371.378 2.963 20 5 FFBDLN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000537964978 517417928 /nfs/dbraw/zinc/41/79/28/517417928.db2.gz NIHFTVNAKKIJRQ-UHFFFAOYSA-N 0 2 355.350 2.789 20 5 FFBDLN Cc1cc(C)n(-c2ccc(NC(=O)c3cccc(O)c3[N+](=O)[O-])cn2)n1 ZINC000538291194 517545919 /nfs/dbraw/zinc/54/59/19/517545919.db2.gz SASKWJAROCDTMP-UHFFFAOYSA-N 0 2 353.338 2.750 20 5 FFBDLN O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1cccc([O-])c1[N+](=O)[O-] ZINC000538312240 517558860 /nfs/dbraw/zinc/55/88/60/517558860.db2.gz ZPDMMQFBLCSYIF-UHFFFAOYSA-N 0 2 368.349 2.828 20 5 FFBDLN CN(C)[C@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])c1c(F)cccc1F ZINC000538321742 517563523 /nfs/dbraw/zinc/56/35/23/517563523.db2.gz AEJOMKHLGOYCIH-CYBMUJFWSA-N 0 2 365.336 2.611 20 5 FFBDLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000546897381 517912112 /nfs/dbraw/zinc/91/21/12/517912112.db2.gz FIAMEIYNTIWOAP-UHFFFAOYSA-N 0 2 366.362 2.664 20 5 FFBDLN CCOC(=O)[C@@H](CCC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000543360361 518044788 /nfs/dbraw/zinc/04/47/88/518044788.db2.gz KIVWNRRSUIIANS-GFCCVEGCSA-N 0 2 352.387 2.788 20 5 FFBDLN Cc1ccc(S(=O)(=O)Nc2ccnn2[C@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000534942267 518089702 /nfs/dbraw/zinc/08/97/02/518089702.db2.gz TVLRBAOCIDBRGZ-LLVKDONJSA-N 0 2 350.400 2.872 20 5 FFBDLN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000573031584 518472248 /nfs/dbraw/zinc/47/22/48/518472248.db2.gz LULCXSFMTQDIKA-ZDUSSCGKSA-N 0 2 371.393 2.592 20 5 FFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000582806117 518930970 /nfs/dbraw/zinc/93/09/70/518930970.db2.gz CBTISVLCYSSJSD-UHFFFAOYSA-N 0 2 364.361 2.685 20 5 FFBDLN CC(C)(C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000571302575 519028531 /nfs/dbraw/zinc/02/85/31/519028531.db2.gz AYQWKQRPBIAGSG-UHFFFAOYSA-N 0 2 368.349 2.854 20 5 FFBDLN O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000583085990 519069708 /nfs/dbraw/zinc/06/97/08/519069708.db2.gz UGMMNVMSQPPJIR-UHFFFAOYSA-N 0 2 350.762 2.697 20 5 FFBDLN Cn1nc(C2CCCC2)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000577513030 519119386 /nfs/dbraw/zinc/11/93/86/519119386.db2.gz ULGAGLIBDCRZRV-UHFFFAOYSA-N 0 2 350.400 2.787 20 5 FFBDLN COCCOc1ccccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000577670528 519195873 /nfs/dbraw/zinc/19/58/73/519195873.db2.gz SVHSOMXISRFIMS-UHFFFAOYSA-N 0 2 366.395 2.729 20 5 FFBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc(C3CCOCC3)cs2)c1 ZINC000571800954 519281953 /nfs/dbraw/zinc/28/19/53/519281953.db2.gz NJVWSIKHEFAUJO-UHFFFAOYSA-N 0 2 369.424 2.746 20 5 FFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cnc(CC3CC3)nc2)c1C ZINC000574708264 519292405 /nfs/dbraw/zinc/29/24/05/519292405.db2.gz NHJBYFRQGNOPQB-UHFFFAOYSA-N 0 2 362.411 2.755 20 5 FFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc3[nH]c(=O)[nH]c32)c1C ZINC000580806607 519367294 /nfs/dbraw/zinc/36/72/94/519367294.db2.gz YLRUTNBXDQAFRV-UHFFFAOYSA-N 0 2 362.367 2.594 20 5 FFBDLN CO[C@@H](CS(=O)(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CC1 ZINC000578070172 519402615 /nfs/dbraw/zinc/40/26/15/519402615.db2.gz KBMHEPHUBXKBHW-LBPRGKRZSA-N 0 2 368.333 2.780 20 5 FFBDLN C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000600361452 520223406 /nfs/dbraw/zinc/22/34/06/520223406.db2.gz OGRBFPNOFZPWSP-DGCLKSJQSA-N 0 2 364.398 2.740 20 5 FFBDLN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000604205451 520489130 /nfs/dbraw/zinc/48/91/30/520489130.db2.gz VSBFGFWJNJFTBO-VIFPVBQESA-N 0 2 369.424 2.654 20 5 FFBDLN COC(=O)c1ccc2c(=O)[nH]c(C=Cc3ccc(O)c([N+](=O)[O-])c3)nc2c1 ZINC000604428444 520560525 /nfs/dbraw/zinc/56/05/25/520560525.db2.gz GVSIZYGNHBPXIB-XVNBXDOJSA-N 0 2 367.317 2.906 20 5 FFBDLN Cn1ccnc1C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000613978852 520751362 /nfs/dbraw/zinc/75/13/62/520751362.db2.gz WNANJDWKOQGYPY-MRXNPFEDSA-N 0 2 366.377 2.748 20 5 FFBDLN Cc1ccc(S(=O)(=O)Nc2nnc(CC(C)C)o2)c(C)c1[N+](=O)[O-] ZINC000598734419 520816472 /nfs/dbraw/zinc/81/64/72/520816472.db2.gz MDZIMQUZUZMXGV-UHFFFAOYSA-N 0 2 354.388 2.594 20 5 FFBDLN Cc1ccc(S(=O)(=O)Nc2nnc(CCC(C)C)o2)c(C)c1[N+](=O)[O-] ZINC000598734774 520816938 /nfs/dbraw/zinc/81/69/38/520816938.db2.gz NTGSNNZDXLRJQI-UHFFFAOYSA-N 0 2 368.415 2.984 20 5 FFBDLN COc1ccc(C)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619466373 521582125 /nfs/dbraw/zinc/58/21/25/521582125.db2.gz WGQGMLVOOMZVBM-UHFFFAOYSA-N 0 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O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000184943440 510597196 /nfs/dbraw/zinc/59/71/96/510597196.db2.gz MWTIZRMJQMFUBK-UHFFFAOYSA-N 0 2 355.350 2.789 20 5 FFBDLN O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000178435119 510601231 /nfs/dbraw/zinc/60/12/31/510601231.db2.gz LWMGCQNIVUZOGZ-VMPITWQZSA-N 0 2 367.405 2.772 20 5 FFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccnn2-c2cccc(F)c2)cc1 ZINC000185139907 510708031 /nfs/dbraw/zinc/70/80/31/510708031.db2.gz VHKJPYLRKRWFJV-UHFFFAOYSA-N 0 2 362.342 2.720 20 5 FFBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cccnc2-n2cccn2)c1[N+](=O)[O-] ZINC000191752131 510813490 /nfs/dbraw/zinc/81/34/90/510813490.db2.gz SDMAEICIBCTBKY-UHFFFAOYSA-N 0 2 373.394 2.593 20 5 FFBDLN CC(C)(C)OC(=O)NC1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCC1 ZINC000297347399 510911948 /nfs/dbraw/zinc/91/19/48/510911948.db2.gz BHPONRYLURXXCT-UHFFFAOYSA-N 0 2 351.359 2.686 20 5 FFBDLN CCSc1nnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000431328475 513874460 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O=[N+]([O-])c1cnccc1NS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000461109396 514515843 /nfs/dbraw/zinc/51/58/43/514515843.db2.gz CKHUSCJDJGBWJI-UHFFFAOYSA-N 0 2 362.194 2.660 20 5 FFBDLN COc1cc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1F ZINC000479551425 514626459 /nfs/dbraw/zinc/62/64/59/514626459.db2.gz FMVMKODZQNFWQN-UHFFFAOYSA-N 0 2 370.358 2.860 20 5 FFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc3c(c2)ncn3C)c1C ZINC000479983829 514797912 /nfs/dbraw/zinc/79/79/12/514797912.db2.gz FPODGLGSGSLJBS-UHFFFAOYSA-N 0 2 360.395 2.899 20 5 FFBDLN COc1cccc(-c2nc(=NC(=O)c3cc(O)cc([N+](=O)[O-])c3)s[nH]2)c1 ZINC000476023219 514886784 /nfs/dbraw/zinc/88/67/84/514886784.db2.gz PCWRUXDHUGCLDB-UHFFFAOYSA-N 0 2 372.362 2.502 20 5 FFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C)cnc1OC ZINC000476401364 515034626 /nfs/dbraw/zinc/03/46/26/515034626.db2.gz AOALEABLIUUHHX-UHFFFAOYSA-N 0 2 351.384 2.670 20 5 FFBDLN CC(=O)c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)s1 ZINC000490361875 515187480 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FFBDLN COc1cccc(-c2cc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])n(C)n2)c1 ZINC000552405512 517244422 /nfs/dbraw/zinc/24/44/22/517244422.db2.gz FYWJWGHYMOFASP-UHFFFAOYSA-N 0 2 368.349 2.962 20 5 FFBDLN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000552623266 517325321 /nfs/dbraw/zinc/32/53/21/517325321.db2.gz GXKXRJXDVZPKDY-UHFFFAOYSA-N 0 2 353.338 2.657 20 5 FFBDLN CCOC(=O)CN(Cc1ccccc1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000538346141 517576608 /nfs/dbraw/zinc/57/66/08/517576608.db2.gz XBQLXQZJPVRCSL-UHFFFAOYSA-N 0 2 358.350 2.506 20 5 FFBDLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000533729924 517589473 /nfs/dbraw/zinc/58/94/73/517589473.db2.gz MQBQKBUITAEDMT-UHFFFAOYSA-N 0 2 367.346 2.929 20 5 FFBDLN C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000521638902 517806567 /nfs/dbraw/zinc/80/65/67/517806567.db2.gz FTBBNJDDWSKXOQ-GFCCVEGCSA-N 0 2 359.357 2.790 20 5 FFBDLN C[C@@H]1C[C@@H]1c1ccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])o1 ZINC000521767452 517848540 /nfs/dbraw/zinc/84/85/40/517848540.db2.gz IVIUEMIYPZFHGV-KOLCDFICSA-N 0 2 354.359 2.929 20 5 FFBDLN CN(C)C(=O)c1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1Cl ZINC000550142318 517887411 /nfs/dbraw/zinc/88/74/11/517887411.db2.gz IICGZOYHCBLEEJ-UHFFFAOYSA-N 0 2 363.757 2.908 20 5 FFBDLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000534441207 517896355 /nfs/dbraw/zinc/89/63/55/517896355.db2.gz OOPPAAABERURGX-UHFFFAOYSA-N 0 2 361.770 2.836 20 5 FFBDLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000539852783 518171892 /nfs/dbraw/zinc/17/18/92/518171892.db2.gz QGZQYUWJADZXMO-UHFFFAOYSA-N 0 2 356.381 2.552 20 5 FFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Oc2cccnc2)nc1 ZINC000578651329 518312809 /nfs/dbraw/zinc/31/28/09/518312809.db2.gz OXMNPJLCHPBFDD-UHFFFAOYSA-N 0 2 372.362 2.978 20 5 FFBDLN O=C([O-])Cc1ccc(NCc2[nH+]ccn2CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000575871735 518320106 /nfs/dbraw/zinc/32/01/06/518320106.db2.gz NQWVPLMUBZMKPI-UHFFFAOYSA-N 0 2 358.276 2.593 20 5 FFBDLN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)c1 ZINC000586825246 518654202 /nfs/dbraw/zinc/65/42/02/518654202.db2.gz ZHEMDGPSBQRZRP-UHFFFAOYSA-N 0 2 369.337 2.737 20 5 FFBDLN COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000589505975 519019244 /nfs/dbraw/zinc/01/92/44/519019244.db2.gz SVUPVLKBWIWCPX-CRAIPNDOSA-N 0 2 373.453 2.830 20 5 FFBDLN C[C@@H]1CN(c2ccc(CNc3cc(C(=O)[O-])ccc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000574521784 519196254 /nfs/dbraw/zinc/19/62/54/519196254.db2.gz JSAIDIXRYCTNTQ-GFCCVEGCSA-N 0 2 372.381 2.525 20 5 FFBDLN O=C([O-])[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000591269760 519567037 /nfs/dbraw/zinc/56/70/37/519567037.db2.gz XDONBPQQMNZCDE-HNNXBMFYSA-N 0 2 366.757 2.794 20 5 FFBDLN O=C([O-])[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000591269760 519567044 /nfs/dbraw/zinc/56/70/44/519567044.db2.gz XDONBPQQMNZCDE-HNNXBMFYSA-N 0 2 366.757 2.794 20 5 FFBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000600329214 520204075 /nfs/dbraw/zinc/20/40/75/520204075.db2.gz DBWDSCDAUSKWII-YPMHNXCESA-N 0 2 364.398 2.740 20 5 FFBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000613410701 520488582 /nfs/dbraw/zinc/48/85/82/520488582.db2.gz XWEAKSXPADKVGS-UHFFFAOYSA-N 0 2 368.378 2.885 20 5 FFBDLN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1Cl ZINC000613878771 520714230 /nfs/dbraw/zinc/71/42/30/520714230.db2.gz MGKVPMLPRUEYSO-UHFFFAOYSA-N 0 2 350.714 2.993 20 5 FFBDLN Cc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n[nH]c1C(F)(F)F ZINC000611101885 520984617 /nfs/dbraw/zinc/98/46/17/520984617.db2.gz KOHAYUPUVMEFBB-UHFFFAOYSA-N 0 2 364.305 2.754 20 5 FFBDLN COC(=O)c1c(C)cccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000611194090 521032622 /nfs/dbraw/zinc/03/26/22/521032622.db2.gz GGJQXJOXCJVMRJ-UHFFFAOYSA-N 0 2 364.379 2.799 20 5 FFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000593729040 521180409 /nfs/dbraw/zinc/18/04/09/521180409.db2.gz DERGNTKKJQYGPP-QGZVFWFLSA-N 0 2 356.378 2.737 20 5 FFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000593729040 521180414 /nfs/dbraw/zinc/18/04/14/521180414.db2.gz DERGNTKKJQYGPP-QGZVFWFLSA-N 0 2 356.378 2.737 20 5 FFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccnn1C(C)(C)C ZINC000615565861 521452031 /nfs/dbraw/zinc/45/20/31/521452031.db2.gz GXTHASFJCNMTOX-UHFFFAOYSA-N 0 2 352.416 2.964 20 5 FFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnn(-c2ccccc2)c1 ZINC000619467215 521584064 /nfs/dbraw/zinc/58/40/64/521584064.db2.gz UEJVXOAISLECBY-UHFFFAOYSA-N 0 2 374.378 2.590 20 5 FFBDLN CCc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cnn1CC(C)C ZINC000619668201 521820026 /nfs/dbraw/zinc/82/00/26/521820026.db2.gz RFHPADOCZBIGSY-UHFFFAOYSA-N 0 2 352.416 2.811 20 5 FFBDLN C[C@@H]1C[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC[C@@H]1NC(=O)[O-] ZINC000739185417 603394387 /nfs/dbraw/zinc/39/43/87/603394387.db2.gz CQOLQBOVCCHNMX-KOLCDFICSA-N 0 2 366.399 2.807 20 5 FFBDLN C[C@@H]1C[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC[C@@H]1NC(=O)[O-] ZINC000739185417 603394390 /nfs/dbraw/zinc/39/43/90/603394390.db2.gz CQOLQBOVCCHNMX-KOLCDFICSA-N 0 2 366.399 2.807 20 5 FFBDLN C[C@H]1C[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC[C@@H]1NC(=O)[O-] ZINC000739185419 603394627 /nfs/dbraw/zinc/39/46/27/603394627.db2.gz CQOLQBOVCCHNMX-ONGXEEELSA-N 0 2 366.399 2.807 20 5 FFBDLN C[C@H]1C[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC[C@@H]1NC(=O)[O-] ZINC000739185419 603394631 /nfs/dbraw/zinc/39/46/31/603394631.db2.gz CQOLQBOVCCHNMX-ONGXEEELSA-N 0 2 366.399 2.807 20 5 FFBDLN