smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C)cc(OC)c1[N+](=O)[O-])C2 ZINC001164809950 720107356 /nfs/dbraw/zinc/10/73/56/720107356.db2.gz IWLPDYMPBIOVFL-JXFKEZNVSA-N 1 0 390.484 2.492 20 5 GEBDRO COC(=O)c1ccnc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164726559 720396551 /nfs/dbraw/zinc/39/65/51/720396551.db2.gz PNAWBUYDJHNMEA-JKSUJKDBSA-N 1 0 383.408 2.025 20 5 GEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727874 720409768 /nfs/dbraw/zinc/40/97/68/720409768.db2.gz SAICEVHMAWEEFH-ROUUACIJSA-N 1 0 397.435 2.415 20 5 GEBDRO O=[N+]([O-])c1cccc2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc21 ZINC001164736686 720685050 /nfs/dbraw/zinc/68/50/50/720685050.db2.gz AKPZASOTNVVSOL-JKSUJKDBSA-N 1 0 392.419 2.275 20 5 GEBDRO Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1[N+](=O)[O-] ZINC001164742117 720811174 /nfs/dbraw/zinc/81/11/74/720811174.db2.gz CEVSNXNPRBKMRT-YQVWRLOYSA-N 1 0 397.483 2.269 20 5 GEBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])[C@@H]2C ZINC001164856126 720967404 /nfs/dbraw/zinc/96/74/04/720967404.db2.gz AOPDFMOMMRXWAT-GFCCVEGCSA-N 1 0 394.863 2.500 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5ccc([N+](=O)[O-])cc54)C[C@H]3C2)cn1 ZINC001164766394 721115651 /nfs/dbraw/zinc/11/56/51/721115651.db2.gz KYWGFNSBEMYPIR-HZPDHXFCSA-N 1 0 393.451 2.230 20 5 GEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164894117 721383391 /nfs/dbraw/zinc/38/33/91/721383391.db2.gz XTCAJQJVQUHZDS-UYAOXDASSA-N 1 0 389.500 2.064 20 5 GEBDRO Cc1cc([N+](=O)[O-])c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc1Cl ZINC001165010172 721734995 /nfs/dbraw/zinc/73/49/95/721734995.db2.gz DRBWFIFOMGTJHS-UHFFFAOYSA-N 1 0 395.891 2.475 20 5 GEBDRO Cc1c(C)c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)ncc1[N+](=O)[O-] ZINC001165011190 721739593 /nfs/dbraw/zinc/73/95/93/721739593.db2.gz PFDDTGJVYKARDE-UHFFFAOYSA-N 1 0 375.473 2.130 20 5 GEBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980660 722106197 /nfs/dbraw/zinc/10/61/97/722106197.db2.gz JWGAQTAMWYHODY-CRAIPNDOSA-N 1 0 387.415 2.251 20 5 GEBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(F)c1 ZINC001164982540 722110044 /nfs/dbraw/zinc/11/00/44/722110044.db2.gz WZROOKZCQFBGHA-CRAIPNDOSA-N 1 0 387.415 2.251 20 5 GEBDRO C[NH+](C)CCOCc1ncn2c1CN(c1ncc([N+](=O)[O-])cc1Cl)CCC2 ZINC001164999566 722250821 /nfs/dbraw/zinc/25/08/21/722250821.db2.gz CCJIOCZEIXNJAH-UHFFFAOYSA-N 1 0 394.863 2.328 20 5 GEBDRO C[NH+](C)CCOCc1ncn2c1CN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)CCC2 ZINC001165002529 722255279 /nfs/dbraw/zinc/25/52/79/722255279.db2.gz OYDXHMXDNSUCQG-UHFFFAOYSA-N 1 0 399.455 2.156 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc(F)c(Cl)c2)cc1 ZINC000161145077 531826700 /nfs/dbraw/zinc/82/67/00/531826700.db2.gz CMUTXJUIIOGOON-UHFFFAOYSA-N 1 0 387.820 2.455 20 5 GEBDRO NC(=O)C1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCCCC1 ZINC000123133713 532094811 /nfs/dbraw/zinc/09/48/11/532094811.db2.gz PLZVIOVVCXQJEV-UHFFFAOYSA-N 1 0 399.245 2.074 20 5 GEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000176904165 532154143 /nfs/dbraw/zinc/15/41/43/532154143.db2.gz VSQPUUDSSVPTTB-LBPRGKRZSA-N 1 0 388.262 2.444 20 5 GEBDRO COc1ccsc1[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186133427 532339809 /nfs/dbraw/zinc/33/98/09/532339809.db2.gz FLIPGBSHORNZEK-LLVKDONJSA-N 1 0 385.467 2.294 20 5 GEBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000190716911 532357608 /nfs/dbraw/zinc/35/76/08/532357608.db2.gz GONUBJAAVFYKDZ-LBPRGKRZSA-N 1 0 399.289 2.113 20 5 GEBDRO CC[NH+]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000557530774 532368444 /nfs/dbraw/zinc/36/84/44/532368444.db2.gz OMTFWTWZDSLFFK-UHFFFAOYSA-N 1 0 375.210 2.337 20 5 GEBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000516180903 532382684 /nfs/dbraw/zinc/38/26/84/532382684.db2.gz QNHCMUGGLAZQBU-SNVBAGLBSA-N 1 0 381.376 2.234 20 5 GEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCN([C@@H]3CCSC3)CC2)c1[N+](=O)[O-] ZINC000372775238 532407747 /nfs/dbraw/zinc/40/77/47/532407747.db2.gz FUELANZMUBEDML-CQSZACIVSA-N 1 0 385.511 2.023 20 5 GEBDRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000373172344 532436440 /nfs/dbraw/zinc/43/64/40/532436440.db2.gz IPNOVZKNEXNQRA-OWUUHHOZSA-N 1 0 390.259 2.000 20 5 GEBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1sc(Br)cc1[N+](=O)[O-] ZINC000373113881 532433357 /nfs/dbraw/zinc/43/33/57/532433357.db2.gz WKAHFHHGYPANPF-BDAKNGLRSA-N 1 0 390.259 2.012 20 5 GEBDRO [NH3+]C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CCCC1 ZINC000194770034 532456652 /nfs/dbraw/zinc/45/66/52/532456652.db2.gz FBTPWFVBDQLWKC-GFCCVEGCSA-N 1 0 381.376 2.409 20 5 GEBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000236671805 532492941 /nfs/dbraw/zinc/49/29/41/532492941.db2.gz UTIFSEQNQPFYHG-ZDUSSCGKSA-N 1 0 391.209 2.303 20 5 GEBDRO [NH3+]CC1(CCNC(=O)c2ccc([N+](=O)[O-])cc2I)CC1 ZINC000593915418 532502991 /nfs/dbraw/zinc/50/29/91/532502991.db2.gz XOXVKTMGEFQIIO-UHFFFAOYSA-N 1 0 389.193 2.058 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000262794557 532602345 /nfs/dbraw/zinc/60/23/45/532602345.db2.gz OXXIQZMINVDSMX-WPRPVWTQSA-N 1 0 392.275 2.085 20 5 GEBDRO COc1c[nH+]ccc1N1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000481042469 532665236 /nfs/dbraw/zinc/66/52/36/532665236.db2.gz SQTURQSEPSGMDQ-UHFFFAOYSA-N 1 0 394.229 2.483 20 5 GEBDRO C[C@@](CO)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Br)cc1 ZINC000285374241 532675915 /nfs/dbraw/zinc/67/59/15/532675915.db2.gz GFCJNJMJHHMUSV-INIZCTEOSA-N 1 0 396.241 2.016 20 5 GEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000285685142 532697484 /nfs/dbraw/zinc/69/74/84/532697484.db2.gz HWKVLIYMNFJJLD-CABCVRRESA-N 1 0 398.257 2.211 20 5 GEBDRO COCC[NH2+]C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000572612138 532707543 /nfs/dbraw/zinc/70/75/43/532707543.db2.gz QTSIZFMYUUHTBQ-UHFFFAOYSA-N 1 0 386.246 2.198 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000440353413 532710851 /nfs/dbraw/zinc/71/08/51/532710851.db2.gz XLQXOAFEWSJUSD-UHFFFAOYSA-N 1 0 392.275 2.025 20 5 GEBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440359492 532712183 /nfs/dbraw/zinc/71/21/83/532712183.db2.gz ROYKNJDZUQOEHM-LLVKDONJSA-N 1 0 392.275 2.120 20 5 GEBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000611223004 532721120 /nfs/dbraw/zinc/72/11/20/532721120.db2.gz AVSKZMWDPWQISQ-LLVKDONJSA-N 1 0 389.193 2.023 20 5 GEBDRO CCN1CC[NH+](C[C@@H](C)CNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267205953 532737403 /nfs/dbraw/zinc/73/74/03/532737403.db2.gz GRSISWNYIKNXDW-LBPRGKRZSA-N 1 0 386.294 2.438 20 5 GEBDRO O=[N+]([O-])c1cc(Br)cnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000268479423 532766154 /nfs/dbraw/zinc/76/61/54/532766154.db2.gz KRXNBKATUUHFPL-UHFFFAOYSA-N 1 0 385.262 2.301 20 5 GEBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000269909540 532792923 /nfs/dbraw/zinc/79/29/23/532792923.db2.gz CBTZNELGYOENJX-GFCCVEGCSA-N 1 0 386.246 2.116 20 5 GEBDRO Cc1c(NC(=O)NC[C@H]2C[NH2+]CCCO2)cc(Br)cc1[N+](=O)[O-] ZINC000415652684 532852196 /nfs/dbraw/zinc/85/21/96/532852196.db2.gz HTQZPLGIBUGMHM-LLVKDONJSA-N 1 0 387.234 2.166 20 5 GEBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000289665814 532862752 /nfs/dbraw/zinc/86/27/52/532862752.db2.gz BVOMJTSJYSBLNV-JTQLQIEISA-N 1 0 379.841 2.492 20 5 GEBDRO CC1(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)OCCCO1 ZINC000289674316 532862840 /nfs/dbraw/zinc/86/28/40/532862840.db2.gz ZWIDAGJXMNOEQU-UHFFFAOYSA-N 1 0 392.193 2.442 20 5 GEBDRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000420456812 532883817 /nfs/dbraw/zinc/88/38/17/532883817.db2.gz HDIADESIXFVOFA-LBPRGKRZSA-N 1 0 381.376 2.280 20 5 GEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000290809631 532889724 /nfs/dbraw/zinc/88/97/24/532889724.db2.gz SDCPMSZUBPETAZ-GWCFXTLKSA-N 1 0 391.852 2.492 20 5 GEBDRO O=C(CN1CC[NH+]([C@@H]2CCSC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000365890104 532912823 /nfs/dbraw/zinc/91/28/23/532912823.db2.gz HMBSFAPFFCOIPZ-CYBMUJFWSA-N 1 0 384.889 2.310 20 5 GEBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000736616298 599063668 /nfs/dbraw/zinc/06/36/68/599063668.db2.gz QVOOWXNZJVKMCI-DZGCQCFKSA-N 1 0 389.460 2.324 20 5 GEBDRO O=[N+]([O-])c1cnc(NC[C@H](c2ccco2)[NH+]2CCCCC2)c(-c2nn[nH]n2)c1 ZINC000823652280 599203597 /nfs/dbraw/zinc/20/35/97/599203597.db2.gz YIGNWCJMPJQGAD-CQSZACIVSA-N 1 0 384.400 2.402 20 5 GEBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736135483 598581781 /nfs/dbraw/zinc/58/17/81/598581781.db2.gz YLWDSKFYRYAAHZ-YVEFUNNKSA-N 1 0 393.407 2.231 20 5 GEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000826499472 607554044 /nfs/dbraw/zinc/55/40/44/607554044.db2.gz JYAIHMHWZRPPEY-SFHVURJKSA-N 1 0 380.408 2.473 20 5 GEBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)s1 ZINC000444784893 649952315 /nfs/dbraw/zinc/95/23/15/649952315.db2.gz PKZZZZUEJMDDBX-WCBMZHEXSA-N 1 0 375.248 2.327 20 5 GEBDRO C[C@@H]([NH2+][C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000820419409 606301070 /nfs/dbraw/zinc/30/10/70/606301070.db2.gz GTARLULZGIUVJI-YGRLFVJLSA-N 1 0 399.436 2.293 20 5 GEBDRO CC1(C)CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000820607314 606707966 /nfs/dbraw/zinc/70/79/66/606707966.db2.gz QBNDHQFYGCYBGH-UHFFFAOYSA-N 1 0 394.439 2.271 20 5 GEBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000823620427 606709411 /nfs/dbraw/zinc/70/94/11/606709411.db2.gz KYWXGAZLZOJLBR-OAHLLOKOSA-N 1 0 394.439 2.146 20 5 GEBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820705547 606710570 /nfs/dbraw/zinc/71/05/70/606710570.db2.gz UZXGBYGEPSHVIU-UONOGXRCSA-N 1 0 386.460 2.261 20 5 GEBDRO C[C@H](CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000820240009 606715010 /nfs/dbraw/zinc/71/50/10/606715010.db2.gz BKLWDAMGUISKRD-CYBMUJFWSA-N 1 0 382.428 2.492 20 5 GEBDRO C[NH+](C)CCN(Cc1cccc(F)c1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821585941 607114225 /nfs/dbraw/zinc/11/42/25/607114225.db2.gz BXMLKUAEQFCGLD-UHFFFAOYSA-N 1 0 385.403 2.482 20 5 GEBDRO C[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000820281589 607167462 /nfs/dbraw/zinc/16/74/62/607167462.db2.gz WQCCTUYYJJLDBJ-GFCCVEGCSA-N 1 0 380.412 2.029 20 5 GEBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(-c2nn[nH]n2)c1 ZINC000824555486 608487036 /nfs/dbraw/zinc/48/70/36/608487036.db2.gz WSKDPUIFPIBRMH-LBPRGKRZSA-N 1 0 393.407 2.015 20 5 GEBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000824584854 608493402 /nfs/dbraw/zinc/49/34/02/608493402.db2.gz IJYOJKGHZKSNOS-GFCCVEGCSA-N 1 0 381.396 2.454 20 5 GEBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCc2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000826282734 608554240 /nfs/dbraw/zinc/55/42/40/608554240.db2.gz BIICWZJLOYMGDS-CYBMUJFWSA-N 1 0 395.423 2.050 20 5 GEBDRO O=C1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476335 609413377 /nfs/dbraw/zinc/41/33/77/609413377.db2.gz FXGVYYTUAXMLRW-QGZVFWFLSA-N 1 0 393.407 2.060 20 5 GEBDRO O=C1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476334 609413390 /nfs/dbraw/zinc/41/33/90/609413390.db2.gz FXGVYYTUAXMLRW-KRWDZBQOSA-N 1 0 393.407 2.060 20 5 GEBDRO CSCC1CCC([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000449102380 650031557 /nfs/dbraw/zinc/03/15/57/650031557.db2.gz YOVNFCGFVZENMN-UHFFFAOYSA-N 1 0 387.527 2.385 20 5 GEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000449209719 650034323 /nfs/dbraw/zinc/03/43/23/650034323.db2.gz PYOGZZBOPNEYFU-CYBMUJFWSA-N 1 0 383.495 2.498 20 5 GEBDRO COCC[N@H+](C)CCCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501094087 650387990 /nfs/dbraw/zinc/38/79/90/650387990.db2.gz LFCWVLWFCPRTEM-UHFFFAOYSA-N 1 0 389.250 2.447 20 5 GEBDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000508531807 650481811 /nfs/dbraw/zinc/48/18/11/650481811.db2.gz ANSBNXPCLONDER-UHFFFAOYSA-N 1 0 396.245 2.284 20 5 GEBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000462500532 650481955 /nfs/dbraw/zinc/48/19/55/650481955.db2.gz LAKXNENNNKMFPV-MWLCHTKSSA-N 1 0 392.275 2.118 20 5 GEBDRO CC(C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000523624677 650636711 /nfs/dbraw/zinc/63/67/11/650636711.db2.gz WLKAZTZZUOPERT-UHFFFAOYSA-N 1 0 391.209 2.269 20 5 GEBDRO C[N@H+](CCNC(=O)c1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000535022097 650783133 /nfs/dbraw/zinc/78/31/33/650783133.db2.gz GNWUUIZRBMWKKM-UHFFFAOYSA-N 1 0 389.193 2.023 20 5 GEBDRO C[C@@H]1[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000536694411 650805310 /nfs/dbraw/zinc/80/53/10/650805310.db2.gz QDEVOGSYRHVFHB-MNOVXSKESA-N 1 0 385.262 2.320 20 5 GEBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1[NH+](C)C ZINC000495728988 650827298 /nfs/dbraw/zinc/82/72/98/650827298.db2.gz PBBYZAZBKYZREL-STQMWFEESA-N 1 0 388.287 2.475 20 5 GEBDRO CC[NH+](CC)CCCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000119280354 643545341 /nfs/dbraw/zinc/54/53/41/643545341.db2.gz IZMHPKWAENYPFY-UHFFFAOYSA-N 1 0 394.291 2.368 20 5 GEBDRO CC[NH+](CC)CCNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000119579600 643558468 /nfs/dbraw/zinc/55/84/68/643558468.db2.gz UWUQEEKOACRPSF-UHFFFAOYSA-N 1 0 391.209 2.271 20 5 GEBDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000123530431 643672504 /nfs/dbraw/zinc/67/25/04/643672504.db2.gz OHWHJZUQEIIAFD-UHFFFAOYSA-N 1 0 394.291 2.318 20 5 GEBDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000123486123 643672718 /nfs/dbraw/zinc/67/27/18/643672718.db2.gz XLIDDFHGMLEVGL-UHFFFAOYSA-N 1 0 394.291 2.318 20 5 GEBDRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000124321952 643684655 /nfs/dbraw/zinc/68/46/55/643684655.db2.gz LFYDQIAELANTOV-UWVGGRQHSA-N 1 0 392.275 2.105 20 5 GEBDRO CCC([NH3+])(CC)CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000124774268 643690280 /nfs/dbraw/zinc/69/02/80/643690280.db2.gz FRVRLIBNEPKQIR-UHFFFAOYSA-N 1 0 380.264 2.153 20 5 GEBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000128909425 643813189 /nfs/dbraw/zinc/81/31/89/643813189.db2.gz UYEJZLZAWMCVFA-VXGBXAGGSA-N 1 0 389.193 2.199 20 5 GEBDRO C[NH+](C)CCn1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000151068713 643929079 /nfs/dbraw/zinc/92/90/79/643929079.db2.gz GMJISNVREMPEFK-UHFFFAOYSA-N 1 0 382.218 2.368 20 5 GEBDRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000178922930 644443812 /nfs/dbraw/zinc/44/38/12/644443812.db2.gz PRUKEVPSPJBNLR-VIFPVBQESA-N 1 0 392.275 2.105 20 5 GEBDRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000178924103 644444794 /nfs/dbraw/zinc/44/47/94/644444794.db2.gz LODYITNUQZHHCO-SECBINFHSA-N 1 0 392.275 2.105 20 5 GEBDRO C[NH+](C)C1(CNC(=O)c2cccc([N+](=O)[O-])c2Br)CCOCC1 ZINC000180566049 644508030 /nfs/dbraw/zinc/50/80/30/644508030.db2.gz FAXXOHREOXYGFU-UHFFFAOYSA-N 1 0 386.246 2.198 20 5 GEBDRO CC[NH+]1CCN([C@H]2CCN(c3ncc([N+](=O)[O-])c(C)c3Br)C2)CC1 ZINC000544395484 650941092 /nfs/dbraw/zinc/94/10/92/650941092.db2.gz XPSNXHPFVBNVFS-ZDUSSCGKSA-N 1 0 398.305 2.277 20 5 GEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000262770630 645644254 /nfs/dbraw/zinc/64/42/54/645644254.db2.gz VVCVTKABLHSEEY-NXEZZACHSA-N 1 0 392.275 2.105 20 5 GEBDRO C[C@@H](CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000547715987 651043097 /nfs/dbraw/zinc/04/30/97/651043097.db2.gz OVCBNFZMHRRQON-JTQLQIEISA-N 1 0 392.275 2.120 20 5 GEBDRO CC[N@@H+](Cc1cccc(Br)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266510135 645846668 /nfs/dbraw/zinc/84/66/68/645846668.db2.gz DCSNEMKFWKCMBP-HNNXBMFYSA-N 1 0 383.246 2.437 20 5 GEBDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000269352977 646029556 /nfs/dbraw/zinc/02/95/56/646029556.db2.gz LEYQBSBBUSJQCW-NSHDSACASA-N 1 0 392.275 2.072 20 5 GEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000272286555 646263610 /nfs/dbraw/zinc/26/36/10/646263610.db2.gz PBUCDRHQHKFFBE-DTWKUNHWSA-N 1 0 389.193 2.009 20 5 GEBDRO CS[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1[NH+]1CCCC1 ZINC000332107593 647411889 /nfs/dbraw/zinc/41/18/89/647411889.db2.gz ZWGMGJZISMTYMA-GJZGRUSLSA-N 1 0 385.511 2.104 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c(Cl)c1 ZINC000365544127 647675441 /nfs/dbraw/zinc/67/54/41/647675441.db2.gz FGIVBBNVBQFHNP-NJZAAPMLSA-N 1 0 385.873 2.353 20 5 GEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(Cn3cc(Br)cn3)CC2)c1 ZINC000367788927 647746642 /nfs/dbraw/zinc/74/66/42/647746642.db2.gz AFOLPMCOPNVXFR-UHFFFAOYSA-N 1 0 383.250 2.163 20 5 GEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@H]21 ZINC000368590833 647760512 /nfs/dbraw/zinc/76/05/12/647760512.db2.gz LBYFTJAUXCUWTE-XHDPSFHLSA-N 1 0 382.258 2.452 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)NC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000416511995 648155139 /nfs/dbraw/zinc/15/51/39/648155139.db2.gz ZVTVHLKRDVAYBQ-UHFFFAOYSA-N 1 0 394.291 2.284 20 5 GEBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2c(I)cncc2[N+](=O)[O-])C1 ZINC000418889584 648321648 /nfs/dbraw/zinc/32/16/48/648321648.db2.gz IAZIDGGIAFCBSL-ZJUUUORDSA-N 1 0 390.225 2.301 20 5 GEBDRO C[N@@H+]1CC[C@]2(CCN(c3c(I)cncc3[N+](=O)[O-])C2)C1 ZINC000418954266 648325276 /nfs/dbraw/zinc/32/52/76/648325276.db2.gz NHFOAZWBJWJIRX-ZDUSSCGKSA-N 1 0 388.209 2.126 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000420449385 648416933 /nfs/dbraw/zinc/41/69/33/648416933.db2.gz GFKFECVLPRXUNO-UWVGGRQHSA-N 1 0 392.275 2.071 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420476672 648420935 /nfs/dbraw/zinc/42/09/35/648420935.db2.gz QTPMEAFSCCUWIG-CYBMUJFWSA-N 1 0 380.253 2.418 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)c(C(F)(F)F)c1 ZINC000422553948 648558718 /nfs/dbraw/zinc/55/87/18/648558718.db2.gz LGVKWIQHZUHCLG-UHFFFAOYSA-N 1 0 379.360 2.130 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000440796358 648813555 /nfs/dbraw/zinc/81/35/55/648813555.db2.gz GIBBHPZKIFPBAO-SNVBAGLBSA-N 1 0 392.275 2.086 20 5 GEBDRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000440812100 648814621 /nfs/dbraw/zinc/81/46/21/648814621.db2.gz UKWPEGQYRNFOKQ-SNVBAGLBSA-N 1 0 381.376 2.363 20 5 GEBDRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000440813715 648814623 /nfs/dbraw/zinc/81/46/23/648814623.db2.gz YMULZOCVPBSRJA-JTQLQIEISA-N 1 0 392.275 2.107 20 5 GEBDRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000440826537 648815025 /nfs/dbraw/zinc/81/50/25/648815025.db2.gz NIODMSGMUFVFMV-SNVBAGLBSA-N 1 0 392.275 2.107 20 5 GEBDRO C[C@@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCC[NH2+]C1 ZINC000440844226 648816282 /nfs/dbraw/zinc/81/62/82/648816282.db2.gz MYRLMDHPYFMMCV-CYBMUJFWSA-N 1 0 381.376 2.282 20 5 GEBDRO C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)CC[N@@H+]1C ZINC000719385449 651476024 /nfs/dbraw/zinc/47/60/24/651476024.db2.gz HCUURWVLRLGADB-PELKAZGASA-N 1 0 389.193 2.022 20 5 GEBDRO [NH3+]CCC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000569370984 651710588 /nfs/dbraw/zinc/71/05/88/651710588.db2.gz RPTTZXVNROJROO-UHFFFAOYSA-N 1 0 381.376 2.363 20 5 GEBDRO CCC[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000569576725 651718250 /nfs/dbraw/zinc/71/82/50/651718250.db2.gz CDKPWOKNBNSUES-GFCCVEGCSA-N 1 0 385.262 2.370 20 5 GEBDRO C[S@@](=O)CCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000572351680 651886775 /nfs/dbraw/zinc/88/67/75/651886775.db2.gz CDRQUBDTZFEPJH-GOSISDBHSA-N 1 0 382.223 2.058 20 5 GEBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742296703 651975623 /nfs/dbraw/zinc/97/56/23/651975623.db2.gz ZSJNVPPKGCZKST-UHFFFAOYSA-N 1 0 394.291 2.368 20 5 GEBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000747284866 652156323 /nfs/dbraw/zinc/15/63/23/652156323.db2.gz GXJPAKHHROFJLM-UHFFFAOYSA-N 1 0 394.291 2.368 20 5 GEBDRO [NH3+][C@@H]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000577849749 652221998 /nfs/dbraw/zinc/22/19/98/652221998.db2.gz DGHHKLAEIUNEDK-NXEZZACHSA-N 1 0 381.376 2.409 20 5 GEBDRO CN(C)[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000578549911 652277386 /nfs/dbraw/zinc/27/73/86/652277386.db2.gz GMHUDSVHGFMEDH-MRXNPFEDSA-N 1 0 383.495 2.323 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000583625982 652491838 /nfs/dbraw/zinc/49/18/38/652491838.db2.gz ALEMJDGVTRNKLQ-XJKSGUPXSA-N 1 0 386.495 2.013 20 5 GEBDRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000592387549 652592865 /nfs/dbraw/zinc/59/28/65/652592865.db2.gz QKDZSLNSUQNCTJ-SNVBAGLBSA-N 1 0 381.376 2.363 20 5 GEBDRO [NH3+][C@H]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000592391854 652593143 /nfs/dbraw/zinc/59/31/43/652593143.db2.gz OUXJEBYTDIULLJ-UWVGGRQHSA-N 1 0 392.275 2.153 20 5 GEBDRO CCO[C@@H]1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593761797 652635029 /nfs/dbraw/zinc/63/50/29/652635029.db2.gz VVAHAHDYQRXYAG-NOZJJQNGSA-N 1 0 387.234 2.185 20 5 GEBDRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000594965337 652698672 /nfs/dbraw/zinc/69/86/72/652698672.db2.gz FDGKQVLSPUUJFZ-LSDHHAIUSA-N 1 0 382.463 2.225 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)NCC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000595120536 652705919 /nfs/dbraw/zinc/70/59/19/652705919.db2.gz HNONYQVFAXUSGA-GFCCVEGCSA-N 1 0 394.291 2.317 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)c(C(F)(F)F)c1 ZINC000599098780 652849348 /nfs/dbraw/zinc/84/93/48/652849348.db2.gz ATTKZPVFVXUCTH-LBPRGKRZSA-N 1 0 379.360 2.177 20 5 GEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000599102948 652849604 /nfs/dbraw/zinc/84/96/04/652849604.db2.gz RJRUVSNVWHHVRD-CMPLNLGQSA-N 1 0 381.376 2.051 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC[C@H](O)C(F)F)c1 ZINC000601147215 652956305 /nfs/dbraw/zinc/95/63/05/652956305.db2.gz JNACHEIMHCHWDU-JTQLQIEISA-N 1 0 386.136 2.305 20 5 GEBDRO C[NH+](C)CCN(CCc1ccccc1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768808446 653127602 /nfs/dbraw/zinc/12/76/02/653127602.db2.gz SPBSUADDIJETRT-UHFFFAOYSA-N 1 0 383.495 2.451 20 5 GEBDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000771957984 653134762 /nfs/dbraw/zinc/13/47/62/653134762.db2.gz AYZMNSZDGLFIRS-SNVBAGLBSA-N 1 0 392.275 2.072 20 5 GEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccnc(Cl)c1 ZINC000773005189 653176044 /nfs/dbraw/zinc/17/60/44/653176044.db2.gz ADJSOADYDSZNAA-LLVKDONJSA-N 1 0 384.845 2.272 20 5 GEBDRO C[C@H](C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)CN1CCOCC1 ZINC000602549808 653190835 /nfs/dbraw/zinc/19/08/35/653190835.db2.gz FITIYBABGOWEPP-SNVBAGLBSA-N 1 0 378.292 2.477 20 5 GEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000602886646 653212496 /nfs/dbraw/zinc/21/24/96/653212496.db2.gz LBLSPXMJBVQREN-ZDUSSCGKSA-N 1 0 396.245 2.411 20 5 GEBDRO Cn1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c([N+](=O)[O-])n1 ZINC000602916269 653214719 /nfs/dbraw/zinc/21/47/19/653214719.db2.gz NHVHZVCKSTVWDX-INIZCTEOSA-N 1 0 395.257 2.100 20 5 GEBDRO C[N@@H+](Cc1ccc(Br)cc1F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000602927138 653215721 /nfs/dbraw/zinc/21/57/21/653215721.db2.gz WKISRBKMKBTVBX-CYBMUJFWSA-N 1 0 387.209 2.186 20 5 GEBDRO C[C@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000809968070 653315262 /nfs/dbraw/zinc/31/52/62/653315262.db2.gz MNMMWWPCPGURMZ-JTQLQIEISA-N 1 0 375.210 2.335 20 5 GEBDRO C[C@@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)C[NH2+]1 ZINC000700981732 653319088 /nfs/dbraw/zinc/31/90/88/653319088.db2.gz HCEHQYWKFIZFDF-RKDXNWHRSA-N 1 0 389.193 2.070 20 5 GEBDRO C[C@@H](C[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000836610037 653364607 /nfs/dbraw/zinc/36/46/07/653364607.db2.gz NAUZMKSWHUJRKV-QMMMGPOBSA-N 1 0 392.197 2.271 20 5 GEBDRO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(I)c1)[NH+](C)C ZINC000836609026 653364645 /nfs/dbraw/zinc/36/46/45/653364645.db2.gz ZEZKVOQVGUKVQJ-MRVPVSSYSA-N 1 0 392.197 2.271 20 5 GEBDRO CSC1(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000812255938 653418522 /nfs/dbraw/zinc/41/85/22/653418522.db2.gz MZQSPDKMWWJOPK-UHFFFAOYSA-N 1 0 381.483 2.157 20 5 GEBDRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1c(Br)cccc1[N+](=O)[O-] ZINC000877327697 653475967 /nfs/dbraw/zinc/47/59/67/653475967.db2.gz WZOHWWBKKOSRQH-NSHDSACASA-N 1 0 398.257 2.246 20 5 GEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815014113 653643695 /nfs/dbraw/zinc/64/36/95/653643695.db2.gz WQRWAYFFUMGFKD-SNVBAGLBSA-N 1 0 379.841 2.350 20 5 GEBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815038473 653647152 /nfs/dbraw/zinc/64/71/52/653647152.db2.gz JLZRPSQGNYGNMZ-JTQLQIEISA-N 1 0 379.841 2.492 20 5 GEBDRO C[NH+](C)CCn1cc(NC(=O)c2cccc([N+](=O)[O-])c2Br)cn1 ZINC000782166437 653655837 /nfs/dbraw/zinc/65/58/37/653655837.db2.gz HFDFVIJWPWJUFT-UHFFFAOYSA-N 1 0 382.218 2.368 20 5 GEBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000784723079 653699011 /nfs/dbraw/zinc/69/90/11/653699011.db2.gz RFFQEZUPUUSHOK-JTQLQIEISA-N 1 0 394.291 2.366 20 5 GEBDRO [NH3+]C1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)CC1 ZINC000841233898 653711462 /nfs/dbraw/zinc/71/14/62/653711462.db2.gz KOYCUHGLKGHHHI-UHFFFAOYSA-N 1 0 390.181 2.154 20 5 GEBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])c(I)c1)[C@H]1CC[NH2+]C1 ZINC000841234689 653711740 /nfs/dbraw/zinc/71/17/40/653711740.db2.gz SLVFXYRLOAVUIF-VIFPVBQESA-N 1 0 390.181 2.025 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H](O)c2ccccc2Cl)cc1 ZINC000819230052 653746792 /nfs/dbraw/zinc/74/67/92/653746792.db2.gz UCWKYZUZUKIEOV-MRXNPFEDSA-N 1 0 384.841 2.345 20 5 GEBDRO C[NH+](C)CCn1ccc(NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)n1 ZINC000865059732 653752402 /nfs/dbraw/zinc/75/24/02/653752402.db2.gz IMXGTGNURVPNNZ-UHFFFAOYSA-N 1 0 396.245 2.297 20 5 GEBDRO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000842699402 653763594 /nfs/dbraw/zinc/76/35/94/653763594.db2.gz NSSSTJOQLPTMFC-NXEZZACHSA-N 1 0 392.275 2.024 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)NCCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000842918606 653773658 /nfs/dbraw/zinc/77/36/58/653773658.db2.gz FYVUENPVBNDMKD-UHFFFAOYSA-N 1 0 394.291 2.463 20 5 GEBDRO [NH3+]CCCCCCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000842922171 653774089 /nfs/dbraw/zinc/77/40/89/653774089.db2.gz OSWDUCSNERUCQP-UHFFFAOYSA-N 1 0 380.264 2.155 20 5 GEBDRO CS[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000790903749 653800352 /nfs/dbraw/zinc/80/03/52/653800352.db2.gz AFLQLBTXGYWVSD-ZIAGYGMSSA-N 1 0 375.853 2.434 20 5 GEBDRO CC[N@@H+]1CCCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000822569609 653831835 /nfs/dbraw/zinc/83/18/35/653831835.db2.gz UVZRRYNQLNFLRV-SNVBAGLBSA-N 1 0 385.262 2.496 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c(C(F)(F)F)c1 ZINC000866827282 653834048 /nfs/dbraw/zinc/83/40/48/653834048.db2.gz KPICAUGDFJXASQ-RYUDHWBXSA-N 1 0 379.360 2.129 20 5 GEBDRO C[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000896006272 653860676 /nfs/dbraw/zinc/86/06/76/653860676.db2.gz JJZHSZPZQMCDOV-GXSJLCMTSA-N 1 0 377.260 2.270 20 5 GEBDRO C[NH+](C)C1(CS(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000867167811 653888537 /nfs/dbraw/zinc/88/85/37/653888537.db2.gz JZPBDRVGXTXINL-UHFFFAOYSA-N 1 0 379.232 2.160 20 5 GEBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884957330 653898355 /nfs/dbraw/zinc/89/83/55/653898355.db2.gz OHDPLSHSTPVLEP-NXEZZACHSA-N 1 0 377.825 2.292 20 5 GEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC3(n4cc(Br)cn4)CC3)C2)c1 ZINC000896912246 653899350 /nfs/dbraw/zinc/89/93/50/653899350.db2.gz UGPBDUHOPZHAPI-UHFFFAOYSA-N 1 0 381.234 2.233 20 5 GEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000867307959 653912653 /nfs/dbraw/zinc/91/26/53/653912653.db2.gz FFGSOTATFKYYJT-SKDRFNHKSA-N 1 0 392.275 2.070 20 5 GEBDRO O=C1Nc2ncc(Br)cc2C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000897977438 653946949 /nfs/dbraw/zinc/94/69/49/653946949.db2.gz HFLDKRBSCPYBMX-CQSZACIVSA-N 1 0 391.225 2.448 20 5 GEBDRO CC[N@@H+]1CC[C@@H](CNC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000795415895 653951427 /nfs/dbraw/zinc/95/14/27/653951427.db2.gz RFSQYBBOTIJRKM-LBPRGKRZSA-N 1 0 399.289 2.252 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000795796332 653966746 /nfs/dbraw/zinc/96/67/46/653966746.db2.gz OHRDPRBDMYLUES-NWDGAFQWSA-N 1 0 377.825 2.292 20 5 GEBDRO C[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C[NH+]1CCCC1 ZINC000795806822 653967556 /nfs/dbraw/zinc/96/75/56/653967556.db2.gz ZRKWMLCOXSYBQB-SNVBAGLBSA-N 1 0 379.841 2.398 20 5 GEBDRO O=[N+]([O-])c1cccc(Br)c1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000827699298 654004586 /nfs/dbraw/zinc/00/45/86/654004586.db2.gz GRZYEPBSCOOZOH-ZDUSSCGKSA-N 1 0 384.274 2.388 20 5 GEBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cc([N+](=O)[O-])ncc1Br)CC2 ZINC000827748103 654006788 /nfs/dbraw/zinc/00/67/88/654006788.db2.gz WMJITJQCDXWXCO-UHFFFAOYSA-N 1 0 383.246 2.453 20 5 GEBDRO C[NH+](C)C1(C)CCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC1 ZINC000827778847 654007753 /nfs/dbraw/zinc/00/77/53/654007753.db2.gz DZPGRWFUNPBVMS-UHFFFAOYSA-N 1 0 385.262 2.496 20 5 GEBDRO CN(CC(=O)N1CC[NH2+]C(C)(C)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796925635 654013321 /nfs/dbraw/zinc/01/33/21/654013321.db2.gz KTIYRBGGIIFQDQ-UHFFFAOYSA-N 1 0 385.262 2.004 20 5 GEBDRO CN(CC(=O)NCC1([NH+](C)C)CCC1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000803154632 654266139 /nfs/dbraw/zinc/26/61/39/654266139.db2.gz ZMYVICOZVGYMAV-UHFFFAOYSA-N 1 0 399.289 2.394 20 5 GEBDRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000904470662 654311959 /nfs/dbraw/zinc/31/19/59/654311959.db2.gz ONDJYZSHERYGEE-GFCCVEGCSA-N 1 0 387.234 2.200 20 5 GEBDRO C[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834839779 654352515 /nfs/dbraw/zinc/35/25/15/654352515.db2.gz CWYZTJVQXKQBIV-JTQLQIEISA-N 1 0 381.230 2.452 20 5 GEBDRO C[C@]1(Br)C[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000893563841 654408442 /nfs/dbraw/zinc/40/84/42/654408442.db2.gz ULHGLCQOFHNZJY-MFKMUULPSA-N 1 0 377.260 2.132 20 5 GEBDRO O=[N+]([O-])c1ccc(Br)c(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000931066672 654727991 /nfs/dbraw/zinc/72/79/91/654727991.db2.gz KJFIEBWPDMPLON-HNNXBMFYSA-N 1 0 384.274 2.388 20 5 GEBDRO C[NH+](C)CC1(O)CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000913676626 654803811 /nfs/dbraw/zinc/80/38/11/654803811.db2.gz DXJSODGKGHXJHZ-UHFFFAOYSA-N 1 0 376.240 2.430 20 5 GEBDRO Nc1c(Br)cc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000933333038 654809117 /nfs/dbraw/zinc/80/91/17/654809117.db2.gz KNVGOTSGMIMIAQ-LLVKDONJSA-N 1 0 397.273 2.497 20 5 GEBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])C2 ZINC001164811745 720138630 /nfs/dbraw/zinc/13/86/30/720138630.db2.gz NDONITVJKOCPBM-KDOFPFPSSA-N 1 0 396.875 2.066 20 5 GEBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncc([N+](=O)[O-])cc2F)CC1 ZINC001164818589 720311318 /nfs/dbraw/zinc/31/13/18/720311318.db2.gz ALZIQRGSZQKAHB-SJORKVTESA-N 1 0 391.447 2.040 20 5 GEBDRO COC(=O)c1ccnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164726556 720395461 /nfs/dbraw/zinc/39/54/61/720395461.db2.gz PNAWBUYDJHNMEA-CVEARBPZSA-N 1 0 383.408 2.025 20 5 GEBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])C1 ZINC001164731226 720510355 /nfs/dbraw/zinc/51/03/55/720510355.db2.gz OJLBCPLAXYBGCH-SECBINFHSA-N 1 0 386.243 2.086 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001164733737 720549987 /nfs/dbraw/zinc/54/99/87/720549987.db2.gz QPKMXKSJPNIILA-UHFFFAOYSA-N 1 0 376.848 2.498 20 5 GEBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c2ccccc21 ZINC001164744344 720683054 /nfs/dbraw/zinc/68/30/54/720683054.db2.gz ZKUVMXKMKJJKFK-GJZGRUSLSA-N 1 0 392.419 2.275 20 5 GEBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)cc(C)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164852559 720846965 /nfs/dbraw/zinc/84/69/65/720846965.db2.gz KVBWMTCJTRHAJX-KGLIPLIRSA-N 1 0 384.864 2.125 20 5 GEBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nccc4ccc([N+](=O)[O-])cc43)CC[C@H]2C1 ZINC001164854306 720870616 /nfs/dbraw/zinc/87/06/16/720870616.db2.gz JGIYBQLSEKNEFW-LPHOPBHVSA-N 1 0 386.452 2.317 20 5 GEBDRO Cc1nc(Cl)nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164762970 721075156 /nfs/dbraw/zinc/07/51/56/721075156.db2.gz FPWLKYRFSUWYRB-KBPBESRZSA-N 1 0 391.863 2.038 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5cc([N+](=O)[O-])ccc54)C[C@@H]3C2)cn1 ZINC001164773738 721118072 /nfs/dbraw/zinc/11/80/72/721118072.db2.gz YVLOBFFTCLBYMS-HOTGVXAUSA-N 1 0 393.451 2.230 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5cc([N+](=O)[O-])ccc54)C[C@H]3C2)cn1 ZINC001164773747 721118690 /nfs/dbraw/zinc/11/86/90/721118690.db2.gz YVLOBFFTCLBYMS-JKSUJKDBSA-N 1 0 393.451 2.230 20 5 GEBDRO Cc1cnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c([N+](=O)[O-])c1 ZINC001164886743 721383371 /nfs/dbraw/zinc/38/33/71/721383371.db2.gz GAYSTFARLHCTIX-FXAWDEMLSA-N 1 0 389.500 2.064 20 5 GEBDRO Cc1ccnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164892252 721393427 /nfs/dbraw/zinc/39/34/27/721393427.db2.gz SKEVJBARBNKJDW-FXAWDEMLSA-N 1 0 389.500 2.064 20 5 GEBDRO COc1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164904636 721530371 /nfs/dbraw/zinc/53/03/71/721530371.db2.gz FUUAQAMSAZEPIS-RHSMWYFYSA-N 1 0 388.399 2.479 20 5 GEBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164906380 721543442 /nfs/dbraw/zinc/54/34/42/721543442.db2.gz KHIUHQDZXBOJAX-WBVHZDCISA-N 1 0 388.399 2.018 20 5 GEBDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cnc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001165009498 721732586 /nfs/dbraw/zinc/73/25/86/721732586.db2.gz XUYAYWNYODINFK-UHFFFAOYSA-N 1 0 398.467 2.061 20 5 GEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1 ZINC001165011601 721734454 /nfs/dbraw/zinc/73/44/54/721734454.db2.gz SHRDPHKUNXAYPE-UHFFFAOYSA-N 1 0 395.891 2.475 20 5 GEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1 ZINC001165011166 721739187 /nfs/dbraw/zinc/73/91/87/721739187.db2.gz OFUKMSFCIQPVRB-UHFFFAOYSA-N 1 0 375.473 2.130 20 5 GEBDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001165012159 721749200 /nfs/dbraw/zinc/74/92/00/721749200.db2.gz ATQMZQVABBEAHO-UHFFFAOYSA-N 1 0 398.467 2.061 20 5 GEBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC001165043875 721926357 /nfs/dbraw/zinc/92/63/57/721926357.db2.gz QAVNFZJIKRGCGD-ZDUSSCGKSA-N 1 0 377.832 2.492 20 5 GEBDRO Cc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164977277 722101372 /nfs/dbraw/zinc/10/13/72/722101372.db2.gz FQBUPWSUFYULQE-IEBWSBKVSA-N 1 0 383.452 2.421 20 5 GEBDRO Cc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164984105 722101712 /nfs/dbraw/zinc/10/17/12/722101712.db2.gz RRQYNQMAVRZHJQ-PKOBYXMFSA-N 1 0 383.452 2.421 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000156223399 531723268 /nfs/dbraw/zinc/72/32/68/531723268.db2.gz LWYUGEQPOMTYBY-BDAKNGLRSA-N 1 0 392.275 2.037 20 5 GEBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000163351676 531856892 /nfs/dbraw/zinc/85/68/92/531856892.db2.gz MPRKSEHIDJKIPF-NSHDSACASA-N 1 0 381.376 2.328 20 5 GEBDRO CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163311625 531857871 /nfs/dbraw/zinc/85/78/71/531857871.db2.gz VYSRJPLBEMHMMV-SNVBAGLBSA-N 1 0 381.376 2.186 20 5 GEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[NH+](C2CCOCC2)CC1 ZINC000176536382 532140121 /nfs/dbraw/zinc/14/01/21/532140121.db2.gz YLWLDXCGZFIDLH-UHFFFAOYSA-N 1 0 398.257 2.294 20 5 GEBDRO O=C(NCCCC[NH+]1CCOCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176989883 532157467 /nfs/dbraw/zinc/15/74/67/532157467.db2.gz HZIJEXONKNVSJY-UHFFFAOYSA-N 1 0 386.246 2.200 20 5 GEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178111984 532193901 /nfs/dbraw/zinc/19/39/01/532193901.db2.gz HHXCUFNETUDAEC-GFCCVEGCSA-N 1 0 398.257 2.152 20 5 GEBDRO O=C(COc1ccc([N+](=O)[O-])cc1Br)NC1CC[NH+](C2CC2)CC1 ZINC000133688315 532240573 /nfs/dbraw/zinc/24/05/73/532240573.db2.gz OTZJNBPFRPVPNK-UHFFFAOYSA-N 1 0 398.257 2.479 20 5 GEBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000181634681 532303864 /nfs/dbraw/zinc/30/38/64/532303864.db2.gz QWYQNBZCXFYJSX-CHWSQXEVSA-N 1 0 384.479 2.450 20 5 GEBDRO CC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc(C(F)(F)F)cs1 ZINC000185923246 532339012 /nfs/dbraw/zinc/33/90/12/532339012.db2.gz YBSIABRWAWZGFC-NXEZZACHSA-N 1 0 379.364 2.368 20 5 GEBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc(C(F)(F)F)cs1 ZINC000185923226 532339070 /nfs/dbraw/zinc/33/90/70/532339070.db2.gz YBSIABRWAWZGFC-ZJUUUORDSA-N 1 0 379.364 2.368 20 5 GEBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000184293132 532331664 /nfs/dbraw/zinc/33/16/64/532331664.db2.gz WYIVOFPBZVQMDD-GFCCVEGCSA-N 1 0 399.289 2.113 20 5 GEBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000190716928 532357639 /nfs/dbraw/zinc/35/76/39/532357639.db2.gz GONUBJAAVFYKDZ-GFCCVEGCSA-N 1 0 399.289 2.113 20 5 GEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](CO)C[NH+]1CCCCC1 ZINC000561687445 532446462 /nfs/dbraw/zinc/44/64/62/532446462.db2.gz SUJXXJGCRCBFHI-ZDUSSCGKSA-N 1 0 387.889 2.303 20 5 GEBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000592328473 532448336 /nfs/dbraw/zinc/44/83/36/532448336.db2.gz JKLFEFSPOUNFEB-LLVKDONJSA-N 1 0 389.193 2.071 20 5 GEBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000592331126 532449875 /nfs/dbraw/zinc/44/98/75/532449875.db2.gz ISEKAEYRYKPCSX-WDEREUQCSA-N 1 0 389.193 2.199 20 5 GEBDRO CC[C@@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592382711 532453261 /nfs/dbraw/zinc/45/32/61/532453261.db2.gz WIMMHGZRLOYEJL-NOZJJQNGSA-N 1 0 392.275 2.105 20 5 GEBDRO CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC[C@H]1[NH3+] ZINC000592381753 532453407 /nfs/dbraw/zinc/45/34/07/532453407.db2.gz DDPVNPDSTAJTEQ-BXKDBHETSA-N 1 0 392.275 2.105 20 5 GEBDRO CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC[C@H]1[NH3+] ZINC000592381755 532453666 /nfs/dbraw/zinc/45/36/66/532453666.db2.gz DDPVNPDSTAJTEQ-JOYOIKCWSA-N 1 0 392.275 2.105 20 5 GEBDRO O=C(CN1CCC2(CC[NH2+]C2)CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000431013219 532503854 /nfs/dbraw/zinc/50/38/54/532503854.db2.gz HYKUHNSYCAAZCL-UHFFFAOYSA-N 1 0 397.273 2.371 20 5 GEBDRO CC(C)(CCC[NH3+])NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431044649 532505222 /nfs/dbraw/zinc/50/52/22/532505222.db2.gz JOVWBQJMRCNEIN-UHFFFAOYSA-N 1 0 380.264 2.153 20 5 GEBDRO C[NH+](C)C1CC(NCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000594514704 532512697 /nfs/dbraw/zinc/51/26/97/532512697.db2.gz ZSDYELQBFILQKJ-UHFFFAOYSA-N 1 0 375.210 2.382 20 5 GEBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000237957452 532512998 /nfs/dbraw/zinc/51/29/98/532512998.db2.gz TXGBVZMSNREPKN-SNVBAGLBSA-N 1 0 389.193 2.153 20 5 GEBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000594626638 532515001 /nfs/dbraw/zinc/51/50/01/532515001.db2.gz RKBJNSDBOWWJOD-PRHODGIISA-N 1 0 389.193 2.151 20 5 GEBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)C[C@@H]2C1 ZINC000296482129 532524617 /nfs/dbraw/zinc/52/46/17/532524617.db2.gz YKDDNXXIYFMRJL-DTORHVGOSA-N 1 0 380.253 2.084 20 5 GEBDRO Cc1c(Br)c(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)ncc1[N+](=O)[O-] ZINC000596538437 532596990 /nfs/dbraw/zinc/59/69/90/532596990.db2.gz KRRWWZHJDCNMAM-LBPRGKRZSA-N 1 0 385.262 2.096 20 5 GEBDRO CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])[N@H+](C)C1 ZINC000284605148 532604534 /nfs/dbraw/zinc/60/45/34/532604534.db2.gz ATEYNKICPUIAEY-RYUDHWBXSA-N 1 0 386.246 2.148 20 5 GEBDRO C[NH+](C)CCn1nccc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000297926589 532613331 /nfs/dbraw/zinc/61/33/31/532613331.db2.gz YQPHYWWBZWXAPL-UHFFFAOYSA-N 1 0 382.218 2.368 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000566972843 532634720 /nfs/dbraw/zinc/63/47/20/532634720.db2.gz BDZKIEXPHCPHLP-SFYZADRCSA-N 1 0 380.264 2.070 20 5 GEBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000567353845 532651245 /nfs/dbraw/zinc/65/12/45/532651245.db2.gz MJZQZRACGQAKGU-HTQZYQBOSA-N 1 0 377.182 2.055 20 5 GEBDRO C[NH+](C)CCn1cc(NC(=O)c2c(Br)cccc2[N+](=O)[O-])cn1 ZINC000599244504 532655487 /nfs/dbraw/zinc/65/54/87/532655487.db2.gz KLZIRHWGDLQEFF-UHFFFAOYSA-N 1 0 382.218 2.368 20 5 GEBDRO CC(C)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000438667776 532675341 /nfs/dbraw/zinc/67/53/41/532675341.db2.gz LTHFIQHRKUTAKJ-AWEZNQCLSA-N 1 0 383.246 2.440 20 5 GEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000285685146 532698109 /nfs/dbraw/zinc/69/81/09/532698109.db2.gz HWKVLIYMNFJJLD-HUUCEWRRSA-N 1 0 398.257 2.211 20 5 GEBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000378290794 532689421 /nfs/dbraw/zinc/68/94/21/532689421.db2.gz YRUPCXFQMQXAQZ-RYUDHWBXSA-N 1 0 399.245 2.342 20 5 GEBDRO C[C@@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000440345495 532710083 /nfs/dbraw/zinc/71/00/83/532710083.db2.gz YXMGVAQLCLIQQN-ZJUUUORDSA-N 1 0 392.275 2.024 20 5 GEBDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000440447045 532714713 /nfs/dbraw/zinc/71/47/13/532714713.db2.gz YRWILVVJUGXTAS-SKDRFNHKSA-N 1 0 392.275 2.105 20 5 GEBDRO C[C@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCC[NH2+]C1 ZINC000440858610 532723777 /nfs/dbraw/zinc/72/37/77/532723777.db2.gz LGSHIXOPIYBCEZ-ZDUSSCGKSA-N 1 0 392.275 2.025 20 5 GEBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000610913168 532719214 /nfs/dbraw/zinc/71/92/14/532719214.db2.gz GCCSQNQBSQQULE-CYBMUJFWSA-N 1 0 398.257 2.340 20 5 GEBDRO O=C(C[NH+]1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301405718 532751464 /nfs/dbraw/zinc/75/14/64/532751464.db2.gz LPJDDBNMRSVGEK-UHFFFAOYSA-N 1 0 397.273 2.102 20 5 GEBDRO C[NH+](C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000457199263 532788884 /nfs/dbraw/zinc/78/88/84/532788884.db2.gz CCKCUCLBPOOJOY-UHFFFAOYSA-N 1 0 391.209 2.269 20 5 GEBDRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000414459016 532829023 /nfs/dbraw/zinc/82/90/23/532829023.db2.gz IIKLPDZTZCPJCM-UHFFFAOYSA-N 1 0 381.376 2.328 20 5 GEBDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000332077865 532848584 /nfs/dbraw/zinc/84/85/84/532848584.db2.gz HEGBSZSQUCSHBZ-HUUCEWRRSA-N 1 0 385.511 2.104 20 5 GEBDRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289472130 532855655 /nfs/dbraw/zinc/85/56/55/532855655.db2.gz JDCHNFTYFQTOHL-UGZDLDLSSA-N 1 0 396.250 2.446 20 5 GEBDRO CN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@H](O)CN1CCOCC1 ZINC000289723149 532863956 /nfs/dbraw/zinc/86/39/56/532863956.db2.gz HBQIDIXKHBFFKS-ZDUSSCGKSA-N 1 0 378.256 2.027 20 5 GEBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416367985 532872220 /nfs/dbraw/zinc/87/22/20/532872220.db2.gz GBVLURPCJPGEKD-LLVKDONJSA-N 1 0 381.376 2.376 20 5 GEBDRO CN(CC[N@H+](C)C1CC1)c1c(I)cncc1[N+](=O)[O-] ZINC000418924444 532881596 /nfs/dbraw/zinc/88/15/96/532881596.db2.gz OJHWNMDJQVGRNE-UHFFFAOYSA-N 1 0 376.198 2.125 20 5 GEBDRO CC1=CCN(CCNc2c(I)cncc2[N+](=O)[O-])CC1 ZINC000418920875 532881849 /nfs/dbraw/zinc/88/18/49/532881849.db2.gz ZXLDHHGBPKMERX-UHFFFAOYSA-N 1 0 388.209 2.080 20 5 GEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000290809635 532890003 /nfs/dbraw/zinc/89/00/03/532890003.db2.gz SDCPMSZUBPETAZ-GXFFZTMASA-N 1 0 391.852 2.492 20 5 GEBDRO CNS(=O)(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000370856234 532945721 /nfs/dbraw/zinc/94/57/21/532945721.db2.gz MIATTWJNZGPMKG-GFCCVEGCSA-N 1 0 381.376 2.127 20 5 GEBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000736617624 599063700 /nfs/dbraw/zinc/06/37/00/599063700.db2.gz ZIACQLIVPBHBKW-XJKSGUPXSA-N 1 0 389.460 2.324 20 5 GEBDRO Cc1cnc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c([N+](=O)[O-])c1 ZINC000822394495 599105416 /nfs/dbraw/zinc/10/54/16/599105416.db2.gz BGMJPLUOUHTKGK-UHFFFAOYSA-N 1 0 394.439 2.191 20 5 GEBDRO O=[N+]([O-])c1cnc(NC[C@H](c2ccccc2)[NH+]2CCCC2)c(-c2nn[nH]n2)c1 ZINC000823651444 599277631 /nfs/dbraw/zinc/27/76/31/599277631.db2.gz JSVKAASPCYDLII-MRXNPFEDSA-N 1 0 380.412 2.419 20 5 GEBDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736135479 598581791 /nfs/dbraw/zinc/58/17/91/598581791.db2.gz YLWDSKFYRYAAHZ-PXAZEXFGSA-N 1 0 393.407 2.231 20 5 GEBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccnc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826498648 607509947 /nfs/dbraw/zinc/50/99/47/607509947.db2.gz DJGIFGOLJIGYNE-UHFFFAOYSA-N 1 0 381.396 2.213 20 5 GEBDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000824778469 607679814 /nfs/dbraw/zinc/67/98/14/607679814.db2.gz PQGARNYCCROLES-GFCCVEGCSA-N 1 0 395.427 2.202 20 5 GEBDRO C[C@@H]1CCC[N@H+](CCNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820711340 606453593 /nfs/dbraw/zinc/45/35/93/606453593.db2.gz WRWZZUMAFRHISX-GFCCVEGCSA-N 1 0 382.428 2.467 20 5 GEBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000823620891 606698446 /nfs/dbraw/zinc/69/84/46/606698446.db2.gz SCRHOZVZEVELKK-UHFFFAOYSA-N 1 0 394.439 2.289 20 5 GEBDRO C[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000820281592 607167067 /nfs/dbraw/zinc/16/70/67/607167067.db2.gz WQCCTUYYJJLDBJ-LBPRGKRZSA-N 1 0 380.412 2.029 20 5 GEBDRO O=C(CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407208 607942995 /nfs/dbraw/zinc/94/29/95/607942995.db2.gz FLIGPAQNBXCJOC-UHFFFAOYSA-N 1 0 393.407 2.162 20 5 GEBDRO CC[N@@H+]1C[C@H](C)N(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000825450555 608232018 /nfs/dbraw/zinc/23/20/18/608232018.db2.gz AUXCDNVBQOAQRT-NEPJUHHUSA-N 1 0 382.428 2.242 20 5 GEBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824553994 608487900 /nfs/dbraw/zinc/48/79/00/608487900.db2.gz LIYRWHUESCQTJR-GFCCVEGCSA-N 1 0 381.396 2.089 20 5 GEBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824553995 608488001 /nfs/dbraw/zinc/48/80/01/608488001.db2.gz LIYRWHUESCQTJR-LBPRGKRZSA-N 1 0 381.396 2.089 20 5 GEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826272600 608530826 /nfs/dbraw/zinc/53/08/26/608530826.db2.gz RRZKMUPVTYSNLG-UHFFFAOYSA-N 1 0 393.407 2.301 20 5 GEBDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825139298 608552062 /nfs/dbraw/zinc/55/20/62/608552062.db2.gz DNBFVTDLBLQKLE-FUHWJXTLSA-N 1 0 398.423 2.256 20 5 GEBDRO CC[C@@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000825143520 608552138 /nfs/dbraw/zinc/55/21/38/608552138.db2.gz WDPLCSPMFGUKGT-QGZVFWFLSA-N 1 0 395.423 2.132 20 5 GEBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2sccc2-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000826283323 608554029 /nfs/dbraw/zinc/55/40/29/608554029.db2.gz OQKPPSCNQKJLQT-SNVBAGLBSA-N 1 0 387.425 2.434 20 5 GEBDRO Cn1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361820 609337970 /nfs/dbraw/zinc/33/79/70/609337970.db2.gz QSDKXMQBZLMSNV-UHFFFAOYSA-N 1 0 390.407 2.465 20 5 GEBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447013724 649994319 /nfs/dbraw/zinc/99/43/19/649994319.db2.gz QKTWSLODKQLQLG-JTQLQIEISA-N 1 0 394.291 2.366 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000447250890 650003687 /nfs/dbraw/zinc/00/36/87/650003687.db2.gz XHOWZCVZNQWLGG-NXEZZACHSA-N 1 0 392.275 2.024 20 5 GEBDRO C[C@@H](Cn1cccn1)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000501260627 650388580 /nfs/dbraw/zinc/38/85/80/650388580.db2.gz FODGTACTAVYSTN-JTQLQIEISA-N 1 0 382.218 2.171 20 5 GEBDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000462500529 650482092 /nfs/dbraw/zinc/48/20/92/650482092.db2.gz LAKXNENNNKMFPV-GXSJLCMTSA-N 1 0 392.275 2.118 20 5 GEBDRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000512860847 650555411 /nfs/dbraw/zinc/55/54/11/650555411.db2.gz KVVCQPPJKJKKEZ-DOMZBBRYSA-N 1 0 375.878 2.446 20 5 GEBDRO COc1cc(C[NH2+]CCn2cc(Br)cn2)c([N+](=O)[O-])cc1OC ZINC000513026836 650556759 /nfs/dbraw/zinc/55/67/59/650556759.db2.gz GSOKDPQMFFDAPD-UHFFFAOYSA-N 1 0 385.218 2.361 20 5 GEBDRO Cc1[nH+]ccc(NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1Cl ZINC000478327931 650584290 /nfs/dbraw/zinc/58/42/90/650584290.db2.gz NOQSKPDSFCIGEV-UHFFFAOYSA-N 1 0 384.845 2.301 20 5 GEBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000480591067 650625323 /nfs/dbraw/zinc/62/53/23/650625323.db2.gz GWEWVRWZYXHIKP-SNVBAGLBSA-N 1 0 394.291 2.366 20 5 GEBDRO CC(C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000054131687 642747710 /nfs/dbraw/zinc/74/77/10/642747710.db2.gz JBNZTLDHPQLYGV-UHFFFAOYSA-N 1 0 391.209 2.269 20 5 GEBDRO C[C@@]1(CO)CCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000493412667 650793689 /nfs/dbraw/zinc/79/36/89/650793689.db2.gz NLQOFLMAVUBGOX-HIFRSBDPSA-N 1 0 386.246 2.437 20 5 GEBDRO C[C@H](CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000066578007 642923071 /nfs/dbraw/zinc/92/30/71/642923071.db2.gz LXGSQSVCGCMHAQ-SECBINFHSA-N 1 0 392.275 2.118 20 5 GEBDRO O=C(C[NH2+][C@@H]1CCO[C@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000494438080 650808317 /nfs/dbraw/zinc/80/83/17/650808317.db2.gz QDAPRJNVWOHAMX-HIFRSBDPSA-N 1 0 384.230 2.453 20 5 GEBDRO CC[N@H+](CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000120201952 643595110 /nfs/dbraw/zinc/59/51/10/643595110.db2.gz ALAZIIWNWOZLFH-UHFFFAOYSA-N 1 0 392.275 2.120 20 5 GEBDRO CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000124222709 643683140 /nfs/dbraw/zinc/68/31/40/643683140.db2.gz CWUXMBNBPKVHBT-SECBINFHSA-N 1 0 380.264 2.009 20 5 GEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000124321710 643685127 /nfs/dbraw/zinc/68/51/27/643685127.db2.gz LFYDQIAELANTOV-NXEZZACHSA-N 1 0 392.275 2.105 20 5 GEBDRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000124372231 643685626 /nfs/dbraw/zinc/68/56/26/643685626.db2.gz OTKKPIHMMKDODE-UWVGGRQHSA-N 1 0 392.275 2.105 20 5 GEBDRO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000124586055 643687964 /nfs/dbraw/zinc/68/79/64/643687964.db2.gz FFAGILOFISECEO-KOLCDFICSA-N 1 0 392.275 2.153 20 5 GEBDRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000124942029 643694687 /nfs/dbraw/zinc/69/46/87/643694687.db2.gz ZEIDYDPRFPSIBH-GFCCVEGCSA-N 1 0 394.291 2.351 20 5 GEBDRO [NH3+]C1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2I)CC1 ZINC000131929328 643878957 /nfs/dbraw/zinc/87/89/57/643878957.db2.gz XICBIXJISWNGPL-UHFFFAOYSA-N 1 0 389.193 2.199 20 5 GEBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000154205321 644025653 /nfs/dbraw/zinc/02/56/53/644025653.db2.gz DOJFEMRXDKRRRZ-IUCAKERBSA-N 1 0 389.193 2.151 20 5 GEBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000154205083 644025663 /nfs/dbraw/zinc/02/56/63/644025663.db2.gz DOJFEMRXDKRRRZ-DTWKUNHWSA-N 1 0 389.193 2.151 20 5 GEBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000158131729 644140452 /nfs/dbraw/zinc/14/04/52/644140452.db2.gz WCEGKPYNPQCTRC-SNVBAGLBSA-N 1 0 394.291 2.366 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N(C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000237123156 645423168 /nfs/dbraw/zinc/42/31/68/645423168.db2.gz UPDYCXNYSMDSFF-UHFFFAOYSA-N 1 0 392.275 2.038 20 5 GEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000237400038 645430453 /nfs/dbraw/zinc/43/04/53/645430453.db2.gz CPWBIWRNFWMDLT-KOLCDFICSA-N 1 0 392.275 2.248 20 5 GEBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000237515733 645435313 /nfs/dbraw/zinc/43/53/13/645435313.db2.gz UHSDKWFKKOUABS-IUCAKERBSA-N 1 0 389.193 2.151 20 5 GEBDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000268781369 645998455 /nfs/dbraw/zinc/99/84/55/645998455.db2.gz KLQVZEDJBVBIHL-LLVKDONJSA-N 1 0 392.275 2.072 20 5 GEBDRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000269959514 646076636 /nfs/dbraw/zinc/07/66/36/646076636.db2.gz IOWKJSOJFXWEMM-NSHDSACASA-N 1 0 387.234 2.200 20 5 GEBDRO COc1cc(C[NH2+][C@@H](C)[C@@H](CO)SC)c([N+](=O)[O-])cc1OCC(F)F ZINC000272531081 646275912 /nfs/dbraw/zinc/27/59/12/646275912.db2.gz ZPCOYMZAXUOUIP-LKFCYVNXSA-N 1 0 380.413 2.449 20 5 GEBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000272969576 646293239 /nfs/dbraw/zinc/29/32/39/646293239.db2.gz BIJJMYRNKADMNR-SECBINFHSA-N 1 0 384.223 2.427 20 5 GEBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000281087164 646744735 /nfs/dbraw/zinc/74/47/35/646744735.db2.gz COQLEIBSFFDOKS-SNVBAGLBSA-N 1 0 379.841 2.350 20 5 GEBDRO Cn1c(Sc2ncnc3sc([N+](=O)[O-])cc32)nnc1[C@@H]1CCC[NH2+]C1 ZINC000287352686 646885193 /nfs/dbraw/zinc/88/51/93/646885193.db2.gz PKXPRHRECZHGAN-MRVPVSSYSA-N 1 0 377.455 2.346 20 5 GEBDRO CS[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C[C@H]1[NH+]1CCCC1 ZINC000332071654 647410153 /nfs/dbraw/zinc/41/01/53/647410153.db2.gz CNDXOWBQAVHIQZ-HUUCEWRRSA-N 1 0 385.511 2.104 20 5 GEBDRO CN1CC[NH+](C[C@@H]2CCCN(c3c(Br)cncc3[N+](=O)[O-])C2)CC1 ZINC000367341831 647730775 /nfs/dbraw/zinc/73/07/75/647730775.db2.gz HRGFFKPXUVHSAQ-ZDUSSCGKSA-N 1 0 398.305 2.216 20 5 GEBDRO Cc1csc(Sc2ccc(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2[N+](=O)[O-])n1 ZINC000368163047 647751673 /nfs/dbraw/zinc/75/16/73/647751673.db2.gz LQHUOBXSXANCPG-YABSGUDNSA-N 1 0 376.463 2.459 20 5 GEBDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C[C@H]21 ZINC000377882834 647871352 /nfs/dbraw/zinc/87/13/52/647871352.db2.gz GZKQHNROJBJVPA-TVQRCGJNSA-N 1 0 377.825 2.102 20 5 GEBDRO CCC[N@@H+]1CC[C@H](CNc2c(I)cncc2[N+](=O)[O-])C1 ZINC000418847203 648317012 /nfs/dbraw/zinc/31/70/12/648317012.db2.gz HPUVEEQGVFDXEZ-SNVBAGLBSA-N 1 0 390.225 2.160 20 5 GEBDRO C[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000419806078 648380494 /nfs/dbraw/zinc/38/04/94/648380494.db2.gz HKNNTKLLVYSVDI-YMTOWFKASA-N 1 0 385.214 2.449 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)NC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000420447937 648417109 /nfs/dbraw/zinc/41/71/09/648417109.db2.gz KPQWCUXABCFZQE-UHFFFAOYSA-N 1 0 392.275 2.086 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)c(C(F)(F)F)c1 ZINC000420478031 648420813 /nfs/dbraw/zinc/42/08/13/648420813.db2.gz VTBLQKRWOUVXOT-CYBMUJFWSA-N 1 0 379.360 2.130 20 5 GEBDRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420744573 648448326 /nfs/dbraw/zinc/44/83/26/648448326.db2.gz XPCSYXKOTCYWKT-NSHDSACASA-N 1 0 381.376 2.328 20 5 GEBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1I)[C@H](C[NH3+])C1CC1 ZINC000423944661 648604052 /nfs/dbraw/zinc/60/40/52/648604052.db2.gz HWCFVORRSIFCOZ-GFCCVEGCSA-N 1 0 389.193 2.009 20 5 GEBDRO CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CC[NH2+]C1 ZINC000430945916 648771033 /nfs/dbraw/zinc/77/10/33/648771033.db2.gz YPBKXSLLXGXUEA-LBPRGKRZSA-N 1 0 385.262 2.370 20 5 GEBDRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000440813717 648814633 /nfs/dbraw/zinc/81/46/33/648814633.db2.gz YMULZOCVPBSRJA-SNVBAGLBSA-N 1 0 392.275 2.107 20 5 GEBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000558490823 651280701 /nfs/dbraw/zinc/28/07/01/651280701.db2.gz IJMNCFJSFKJPNP-VXGBXAGGSA-N 1 0 376.194 2.448 20 5 GEBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000609158351 651611683 /nfs/dbraw/zinc/61/16/83/651611683.db2.gz VAXFMNVZQDFAPP-SNVBAGLBSA-N 1 0 394.291 2.366 20 5 GEBDRO O=C(CN1CC[NH+](C2CCC2)CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000609631860 651627338 /nfs/dbraw/zinc/62/73/38/651627338.db2.gz XHMUYTDRIQQUDU-UHFFFAOYSA-N 1 0 397.273 2.466 20 5 GEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000576389499 652112474 /nfs/dbraw/zinc/11/24/74/652112474.db2.gz YPQZPOYJQNULQC-DTWKUNHWSA-N 1 0 389.193 2.009 20 5 GEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000577482063 652191577 /nfs/dbraw/zinc/19/15/77/652191577.db2.gz ARHYQPWWZHLYAY-GZMMTYOYSA-N 1 0 389.193 2.057 20 5 GEBDRO C[C@]1(C[NH3+])CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000580183992 652369401 /nfs/dbraw/zinc/36/94/01/652369401.db2.gz NQPULHSURAOJNR-CYBMUJFWSA-N 1 0 389.193 2.010 20 5 GEBDRO CN(C)C(=O)C(C)(C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000582270287 652443115 /nfs/dbraw/zinc/44/31/15/652443115.db2.gz SDCVXLVIRVDJAT-UHFFFAOYSA-N 1 0 391.209 2.156 20 5 GEBDRO CS(=O)(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000582969304 652469195 /nfs/dbraw/zinc/46/91/95/652469195.db2.gz XVAFLVVOANTMMG-LBPRGKRZSA-N 1 0 381.479 2.447 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000757675986 652520316 /nfs/dbraw/zinc/52/03/16/652520316.db2.gz QCNPSCBVLUJWCB-RBSFLKMASA-N 1 0 388.536 2.338 20 5 GEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588864054 652557238 /nfs/dbraw/zinc/55/72/38/652557238.db2.gz YMCDTXSHJHDKST-OLZOCXBDSA-N 1 0 385.873 2.008 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H](CO)CC2CC2)c1 ZINC000589315938 652565762 /nfs/dbraw/zinc/56/57/62/652565762.db2.gz NEUWRWBHYLNSCM-LBPRGKRZSA-N 1 0 376.194 2.450 20 5 GEBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000592392528 652593069 /nfs/dbraw/zinc/59/30/69/652593069.db2.gz GQTVMNWZZSLAJP-LLVKDONJSA-N 1 0 392.275 2.168 20 5 GEBDRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000596051049 652752214 /nfs/dbraw/zinc/75/22/14/652752214.db2.gz LEDYESHLKAXPNG-SECBINFHSA-N 1 0 395.281 2.124 20 5 GEBDRO CC(C)C[NH2+]C1(CO)CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000596252891 652755822 /nfs/dbraw/zinc/75/58/22/652755822.db2.gz NAQHEOZNKLPILZ-UHFFFAOYSA-N 1 0 387.278 2.329 20 5 GEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccnc(Cl)c1 ZINC000765401449 652838092 /nfs/dbraw/zinc/83/80/92/652838092.db2.gz KXVWWLCLCXKCIJ-NSHDSACASA-N 1 0 384.845 2.272 20 5 GEBDRO Cc1c(NC(=O)NCC2([NH3+])CCOCC2)cc(Br)cc1[N+](=O)[O-] ZINC000599606548 652880027 /nfs/dbraw/zinc/88/00/27/652880027.db2.gz NKMBHGTWDFVJMK-UHFFFAOYSA-N 1 0 387.234 2.295 20 5 GEBDRO CS[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000599721712 652885739 /nfs/dbraw/zinc/88/57/39/652885739.db2.gz QEFRMWRCOHZLDM-NWDGAFQWSA-N 1 0 388.287 2.475 20 5 GEBDRO CS[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C[C@H]1[NH+](C)C ZINC000767314612 652919450 /nfs/dbraw/zinc/91/94/50/652919450.db2.gz HSVZQOJQVRFOHB-CHWSQXEVSA-N 1 0 393.918 2.223 20 5 GEBDRO Cc1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccccn2)c([N+](=O)[O-])s1 ZINC000601340039 653087212 /nfs/dbraw/zinc/08/72/12/653087212.db2.gz LPLATSCDKFEMGK-UHFFFAOYSA-N 1 0 384.483 2.112 20 5 GEBDRO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)O1 ZINC000602584144 653192330 /nfs/dbraw/zinc/19/23/30/653192330.db2.gz WUKXQVUDJYMARF-GZMMTYOYSA-N 1 0 392.275 2.144 20 5 GEBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809813287 653297719 /nfs/dbraw/zinc/29/77/19/653297719.db2.gz VPNLVZUHCOLPIZ-SNVBAGLBSA-N 1 0 379.841 2.398 20 5 GEBDRO CS[C@H]1CN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@@H]1[NH+](C)C ZINC000809828974 653304616 /nfs/dbraw/zinc/30/46/16/653304616.db2.gz WUGHVDKMNLQSHF-RYUDHWBXSA-N 1 0 397.881 2.053 20 5 GEBDRO CN(CC(=O)NC(C)(C)C[NH+](C)C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000837246459 653415640 /nfs/dbraw/zinc/41/56/40/653415640.db2.gz QMNCTLXXJMYQJA-UHFFFAOYSA-N 1 0 387.278 2.250 20 5 GEBDRO COc1ncc(Br)cc1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877654029 653615194 /nfs/dbraw/zinc/61/51/94/653615194.db2.gz JSXUDEXAPYWMBK-UHFFFAOYSA-N 1 0 382.218 2.451 20 5 GEBDRO CS[C@H]1CN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C[C@@H]1[NH+](C)C ZINC000779916456 653616415 /nfs/dbraw/zinc/61/64/15/653616415.db2.gz ASQFOULEWWSEKG-RYUDHWBXSA-N 1 0 393.918 2.223 20 5 GEBDRO CC[N@H+](CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(C)C ZINC000780854884 653633689 /nfs/dbraw/zinc/63/36/89/653633689.db2.gz BBNVGMGKKMHJET-UHFFFAOYSA-N 1 0 394.291 2.366 20 5 GEBDRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000817149852 653704256 /nfs/dbraw/zinc/70/42/56/653704256.db2.gz INWMMTLPXXZSLT-NSHDSACASA-N 1 0 392.275 2.072 20 5 GEBDRO [NH3+]C1(CNC(=O)Nc2ccc([N+](=O)[O-])c(I)c2)CCC1 ZINC000841234705 653711756 /nfs/dbraw/zinc/71/17/56/653711756.db2.gz SPHMDKIXEFLXJG-UHFFFAOYSA-N 1 0 390.181 2.202 20 5 GEBDRO CC(C)[C@@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841234659 653711771 /nfs/dbraw/zinc/71/17/71/653711771.db2.gz RLKSMCNUNIQIQF-JTQLQIEISA-N 1 0 392.197 2.304 20 5 GEBDRO C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000842699121 653763400 /nfs/dbraw/zinc/76/34/00/653763400.db2.gz ISBBQGOLQLXZBK-NXEZZACHSA-N 1 0 392.275 2.024 20 5 GEBDRO C[C@@]1(CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000842827898 653769987 /nfs/dbraw/zinc/76/99/87/653769987.db2.gz UOTOFBSDSDTQSB-CYBMUJFWSA-N 1 0 392.275 2.025 20 5 GEBDRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000842838084 653770207 /nfs/dbraw/zinc/77/02/07/653770207.db2.gz HLCFKWRJVFELFO-JTQLQIEISA-N 1 0 392.275 2.107 20 5 GEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)C2)C1 ZINC000820342826 653772814 /nfs/dbraw/zinc/77/28/14/653772814.db2.gz OEJFFUXHKROTFL-HNNXBMFYSA-N 1 0 383.246 2.107 20 5 GEBDRO [NH3+]CCCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000842921316 653773953 /nfs/dbraw/zinc/77/39/53/653773953.db2.gz GSQFKSARKHJGGS-UHFFFAOYSA-N 1 0 380.264 2.155 20 5 GEBDRO CC[NH+](CC)CC(=O)N1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000820651580 653779561 /nfs/dbraw/zinc/77/95/61/653779561.db2.gz HSIVBACCZMCKTM-UHFFFAOYSA-N 1 0 399.289 2.348 20 5 GEBDRO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000866803526 653828928 /nfs/dbraw/zinc/82/89/28/653828928.db2.gz GWIHJCGEWBJVPJ-UHFFFAOYSA-N 1 0 392.275 2.120 20 5 GEBDRO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000866804233 653829216 /nfs/dbraw/zinc/82/92/16/653829216.db2.gz RWFCERLPNGVFFI-UHFFFAOYSA-N 1 0 392.275 2.120 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c(C(F)(F)F)c1 ZINC000866827283 653834018 /nfs/dbraw/zinc/83/40/18/653834018.db2.gz KPICAUGDFJXASQ-VXGBXAGGSA-N 1 0 379.360 2.129 20 5 GEBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000884856066 653891515 /nfs/dbraw/zinc/89/15/15/653891515.db2.gz ZDXXYVRQMCHCCF-NSHDSACASA-N 1 0 382.467 2.170 20 5 GEBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000884856065 653891544 /nfs/dbraw/zinc/89/15/44/653891544.db2.gz ZDXXYVRQMCHCCF-LLVKDONJSA-N 1 0 382.467 2.170 20 5 GEBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884957331 653898192 /nfs/dbraw/zinc/89/81/92/653898192.db2.gz OHDPLSHSTPVLEP-UWVGGRQHSA-N 1 0 377.825 2.292 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC[C@@H](O)C2CC2)c1 ZINC000898197979 653958192 /nfs/dbraw/zinc/95/81/92/653958192.db2.gz MBQGDABQXTYOTC-CYBMUJFWSA-N 1 0 376.194 2.450 20 5 GEBDRO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000795199030 653938441 /nfs/dbraw/zinc/93/84/41/653938441.db2.gz BVUGMCHCZLEMHR-AWEZNQCLSA-N 1 0 381.479 2.457 20 5 GEBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000848025328 653955813 /nfs/dbraw/zinc/95/58/13/653955813.db2.gz RADBVHOZZLLFEN-GFCCVEGCSA-N 1 0 375.828 2.139 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000795796331 653966822 /nfs/dbraw/zinc/96/68/22/653966822.db2.gz OHRDPRBDMYLUES-NEPJUHHUSA-N 1 0 377.825 2.292 20 5 GEBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ncc1Br ZINC000848352537 653971738 /nfs/dbraw/zinc/97/17/38/653971738.db2.gz QOCLOFDDSPCVEF-OLZOCXBDSA-N 1 0 383.246 2.499 20 5 GEBDRO C[C@H](CNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000796073312 653984562 /nfs/dbraw/zinc/98/45/62/653984562.db2.gz VRPHEVJJRDGPBV-LLVKDONJSA-N 1 0 399.289 2.392 20 5 GEBDRO CC[N@@H+]1CCCN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000796277966 653994813 /nfs/dbraw/zinc/99/48/13/653994813.db2.gz KDNQXEOQHLYYCC-UHFFFAOYSA-N 1 0 399.289 2.348 20 5 GEBDRO CN(CC(=O)NC[C@H]1CCC[N@H+](C)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796275801 653994893 /nfs/dbraw/zinc/99/48/93/653994893.db2.gz PWCYBDWILYZNNY-GFCCVEGCSA-N 1 0 399.289 2.252 20 5 GEBDRO C[C@H](CC[NH+](C)C)NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796434627 653997761 /nfs/dbraw/zinc/99/77/61/653997761.db2.gz NVDZTEORPMMDHK-LLVKDONJSA-N 1 0 387.278 2.250 20 5 GEBDRO CN(CC(=O)N(C)[C@H]1CCC[N@H+](C)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796638678 654002964 /nfs/dbraw/zinc/00/29/64/654002964.db2.gz FGKNXXMIHGCTNJ-ZDUSSCGKSA-N 1 0 399.289 2.346 20 5 GEBDRO O=C1CC[C@H]([NH+]2CCN(c3cc(Br)ccc3[N+](=O)[O-])CC2)CCN1 ZINC000829352677 654065467 /nfs/dbraw/zinc/06/54/67/654065467.db2.gz YXEDKIZBIGEKQW-ZDUSSCGKSA-N 1 0 397.273 2.148 20 5 GEBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc([N+](=O)[O-])ncc1Br ZINC000830530074 654124312 /nfs/dbraw/zinc/12/43/12/654124312.db2.gz VKFKFAOMDASVQW-NSHDSACASA-N 1 0 383.246 2.499 20 5 GEBDRO O=C(NCC12CC(C1)C[NH2+]2)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000851678054 654168972 /nfs/dbraw/zinc/16/89/72/654168972.db2.gz ZPWBUAKORTVFGD-UHFFFAOYSA-N 1 0 395.257 2.177 20 5 GEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889770370 654171300 /nfs/dbraw/zinc/17/13/00/654171300.db2.gz ZVATXQULKOAUAH-CABCVRRESA-N 1 0 398.257 2.029 20 5 GEBDRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000802878630 654249455 /nfs/dbraw/zinc/24/94/55/654249455.db2.gz XYOQWKSLKMKRLB-RYUDHWBXSA-N 1 0 399.289 2.345 20 5 GEBDRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000832765743 654293984 /nfs/dbraw/zinc/29/39/84/654293984.db2.gz ZLBUHBJADKLEJE-JTQLQIEISA-N 1 0 379.841 2.491 20 5 GEBDRO CC[N@@H+]1CCN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000804381497 654307914 /nfs/dbraw/zinc/30/79/14/654307914.db2.gz OTQYSMOOCWKXQP-LBPRGKRZSA-N 1 0 399.289 2.346 20 5 GEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891758244 654309666 /nfs/dbraw/zinc/30/96/66/654309666.db2.gz PYDPNBUNBZMROP-NSHDSACASA-N 1 0 376.791 2.335 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCOC(F)(F)C(F)(F)F)cc1 ZINC000872244941 654319568 /nfs/dbraw/zinc/31/95/68/654319568.db2.gz VYIBZNUJCMURPS-UHFFFAOYSA-N 1 0 392.302 2.130 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000905515336 654362258 /nfs/dbraw/zinc/36/22/58/654362258.db2.gz CVJCLQXEDVFSKN-DGCLKSJQSA-N 1 0 382.360 2.068 20 5 GEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000922850763 654416833 /nfs/dbraw/zinc/41/68/33/654416833.db2.gz CVZGWOGCLMRCGU-VGPLMAKISA-N 1 0 376.381 2.394 20 5 GEBDRO Cn1cnc([C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3Br)C[C@H]2[NH3+])c1 ZINC000923417673 654451711 /nfs/dbraw/zinc/45/17/11/654451711.db2.gz ANAMEOCEEDHXEX-TZMCWYRMSA-N 1 0 380.246 2.018 20 5 GEBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2cccc(Br)c2[N+](=O)[O-])C1 ZINC000856728092 654487116 /nfs/dbraw/zinc/48/71/16/654487116.db2.gz JOHRWDGAHPPYAW-LLVKDONJSA-N 1 0 385.262 2.357 20 5 GEBDRO C[N@@H+]1CC[C@@H]1CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000925422377 654544255 /nfs/dbraw/zinc/54/42/55/654544255.db2.gz VAKZBCKVVSCJCE-SNVBAGLBSA-N 1 0 383.246 2.129 20 5 GEBDRO CC[NH+]1CCC(N(C)C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC1 ZINC000931638838 654750216 /nfs/dbraw/zinc/75/02/16/654750216.db2.gz IEHJMADARCDXMN-UHFFFAOYSA-N 1 0 385.262 2.496 20 5 GEBDRO Nc1c(Br)cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000931649861 654751139 /nfs/dbraw/zinc/75/11/39/654751139.db2.gz DKORPKIXOIRAJB-NSHDSACASA-N 1 0 383.246 2.250 20 5 GEBDRO O=[N+]([O-])c1cc(Br)ccc1CN1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000934275179 654842656 /nfs/dbraw/zinc/84/26/56/654842656.db2.gz SKHADIFPXYXYIJ-CABCVRRESA-N 1 0 384.274 2.388 20 5 GEBDRO CC(C)N(C)Cc1nn(-c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)c2c1CC[NH2+]C2 ZINC001164679829 719637162 /nfs/dbraw/zinc/63/71/62/719637162.db2.gz OMAYXGCKLUXQOF-VQHVLOKHSA-N 1 0 399.499 2.194 20 5 GEBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)ncc1[N+](=O)[O-])C2 ZINC001164807527 720071909 /nfs/dbraw/zinc/07/19/09/720071909.db2.gz FVCRKPXVMVUKFQ-CXAGYDPISA-N 1 0 381.864 2.223 20 5 GEBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C)cc(OC)c1[N+](=O)[O-])C2 ZINC001164809952 720108004 /nfs/dbraw/zinc/10/80/04/720108004.db2.gz IWLPDYMPBIOVFL-OXJNMPFZSA-N 1 0 390.484 2.492 20 5 GEBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])C2 ZINC001164815855 720121862 /nfs/dbraw/zinc/12/18/62/720121862.db2.gz WKZAUXUOFDSLNH-KSSFIOAISA-N 1 0 396.875 2.066 20 5 GEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721067 720340992 /nfs/dbraw/zinc/34/09/92/720340992.db2.gz ABIZDSNLIDSHOB-IRXDYDNUSA-N 1 0 383.408 2.025 20 5 GEBDRO Cc1cc([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1Cl ZINC001164737252 720667880 /nfs/dbraw/zinc/66/78/80/720667880.db2.gz DUMSXUJEXGDKDC-QWHCGFSZSA-N 1 0 390.831 2.084 20 5 GEBDRO O=[N+]([O-])c1cccc2nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)ccc21 ZINC001164736704 720690248 /nfs/dbraw/zinc/69/02/48/720690248.db2.gz AMZKWIUGPZGYTK-HUUCEWRRSA-N 1 0 392.419 2.275 20 5 GEBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C)cc(Cl)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164853709 720848209 /nfs/dbraw/zinc/84/82/09/720848209.db2.gz OQQXVQCAJFABOY-UKRRQHHQSA-N 1 0 384.864 2.125 20 5 GEBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164861763 720865563 /nfs/dbraw/zinc/86/55/63/720865563.db2.gz YNHCOKFEKVDWAG-VQIMIIECSA-N 1 0 386.452 2.317 20 5 GEBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nccc4ccc([N+](=O)[O-])cc43)CC[C@H]2C1 ZINC001164854309 720870695 /nfs/dbraw/zinc/87/06/95/720870695.db2.gz JGIYBQLSEKNEFW-QFBILLFUSA-N 1 0 386.452 2.317 20 5 GEBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])[C@H]2C ZINC001164857125 720977924 /nfs/dbraw/zinc/97/79/24/720977924.db2.gz CLAHACLWLKEARA-LBPRGKRZSA-N 1 0 394.863 2.500 20 5 GEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164764275 721090450 /nfs/dbraw/zinc/09/04/50/721090450.db2.gz HCWQTRJGSAVCQD-ZIAGYGMSSA-N 1 0 391.863 2.038 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cnc5cc([N+](=O)[O-])ccc5n4)C[C@H]3C2)cn1 ZINC001164762139 721092022 /nfs/dbraw/zinc/09/20/22/721092022.db2.gz COSVAUNALWTOQA-HZPDHXFCSA-N 1 0 393.451 2.230 20 5 GEBDRO CCOc1nc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164773406 721171748 /nfs/dbraw/zinc/17/17/48/721171748.db2.gz XDIPUFKNCWMKDH-CVEARBPZSA-N 1 0 386.456 2.080 20 5 GEBDRO Cc1cnc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c([N+](=O)[O-])c1 ZINC001164886747 721384082 /nfs/dbraw/zinc/38/40/82/721384082.db2.gz GAYSTFARLHCTIX-YLJYHZDGSA-N 1 0 389.500 2.064 20 5 GEBDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001164934827 721889875 /nfs/dbraw/zinc/88/98/75/721889875.db2.gz UREHRTYNYLUWRI-HUUCEWRRSA-N 1 0 390.875 2.406 20 5 GEBDRO COc1nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)ncc1[N+](=O)[O-] ZINC001164954850 722011949 /nfs/dbraw/zinc/01/19/49/722011949.db2.gz PFSMNGCTLZSKBP-UHFFFAOYSA-N 1 0 384.440 2.281 20 5 GEBDRO Cc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164977279 722101170 /nfs/dbraw/zinc/10/11/70/722101170.db2.gz FQBUPWSUFYULQE-PKOBYXMFSA-N 1 0 383.452 2.421 20 5 GEBDRO Cc1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164977264 722105957 /nfs/dbraw/zinc/10/59/57/722105957.db2.gz FNFKRDVONFIISE-MSOLQXFVSA-N 1 0 383.452 2.421 20 5 GEBDRO COc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164976646 722111262 /nfs/dbraw/zinc/11/12/62/722111262.db2.gz LZWLUIBWPATPRZ-LPHOPBHVSA-N 1 0 399.451 2.121 20 5 GEBDRO [NH3+]CCCOC1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000162153735 531836048 /nfs/dbraw/zinc/83/60/48/531836048.db2.gz HQQWGBUIGXYRFS-UHFFFAOYSA-N 1 0 386.246 2.327 20 5 GEBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000122415866 532068378 /nfs/dbraw/zinc/06/83/78/532068378.db2.gz HNTVLXKTCWLHAM-LBPRGKRZSA-N 1 0 399.289 2.113 20 5 GEBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000122416128 532068873 /nfs/dbraw/zinc/06/88/73/532068873.db2.gz HNTVLXKTCWLHAM-GFCCVEGCSA-N 1 0 399.289 2.113 20 5 GEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000123025681 532090337 /nfs/dbraw/zinc/09/03/37/532090337.db2.gz GZFATIVHQMBIFX-ZANVPECISA-N 1 0 392.275 2.248 20 5 GEBDRO C[NH+](C)C1CCN(CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000123634234 532103770 /nfs/dbraw/zinc/10/37/70/532103770.db2.gz ZQKPHDUNBJSFMF-UHFFFAOYSA-N 1 0 399.289 2.113 20 5 GEBDRO C[C@H](O)C[NH+]1CCC(CN(C)c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000123667060 532105255 /nfs/dbraw/zinc/10/52/55/532105255.db2.gz YQQIOJXJOGVRKN-NSHDSACASA-N 1 0 387.278 2.281 20 5 GEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177108133 532161947 /nfs/dbraw/zinc/16/19/47/532161947.db2.gz OSTYKLAFLCXCRP-GFCCVEGCSA-N 1 0 386.246 2.198 20 5 GEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178601744 532206953 /nfs/dbraw/zinc/20/69/53/532206953.db2.gz KKYMTLBUIDVUQY-LBPRGKRZSA-N 1 0 398.257 2.152 20 5 GEBDRO C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000131959799 532207497 /nfs/dbraw/zinc/20/74/97/532207497.db2.gz FCSIACRXTFVBQE-SECBINFHSA-N 1 0 399.274 2.447 20 5 GEBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000181633661 532304015 /nfs/dbraw/zinc/30/40/15/532304015.db2.gz NJEJRPXAKOYLJQ-JSGCOSHPSA-N 1 0 384.479 2.450 20 5 GEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000590590148 532378168 /nfs/dbraw/zinc/37/81/68/532378168.db2.gz TZEYDUIOYDZEJM-ONGXEEELSA-N 1 0 392.275 2.070 20 5 GEBDRO COCCOC[C@@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000516269398 532385085 /nfs/dbraw/zinc/38/50/85/532385085.db2.gz WORLBUQERGMILT-SNVBAGLBSA-N 1 0 394.209 2.341 20 5 GEBDRO C[C@](C[NH3+])(NC(=O)c1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000516453523 532386482 /nfs/dbraw/zinc/38/64/82/532386482.db2.gz PUUOAPCYGSAZOA-CYBMUJFWSA-N 1 0 389.193 2.057 20 5 GEBDRO O=[N+]([O-])c1cc(Br)ccc1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000591843208 532426736 /nfs/dbraw/zinc/42/67/36/532426736.db2.gz IMHSAQXSPXIZHB-GDBMZVCRSA-N 1 0 384.274 2.388 20 5 GEBDRO C[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000592370526 532451696 /nfs/dbraw/zinc/45/16/96/532451696.db2.gz LFKJWGFYCLZMDN-JOYOIKCWSA-N 1 0 381.376 2.362 20 5 GEBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000236670365 532492696 /nfs/dbraw/zinc/49/26/96/532492696.db2.gz VRUZYDFEJQACSN-ZDUSSCGKSA-N 1 0 391.209 2.303 20 5 GEBDRO C[NH2+]C[C@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000430619132 532501009 /nfs/dbraw/zinc/50/10/09/532501009.db2.gz ZJIHQPDLWLIMKF-LLVKDONJSA-N 1 0 385.262 2.227 20 5 GEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000283313800 532532123 /nfs/dbraw/zinc/53/21/23/532532123.db2.gz FDWSJIFRUXNKOP-LLVKDONJSA-N 1 0 399.289 2.031 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262751708 532599863 /nfs/dbraw/zinc/59/98/63/532599863.db2.gz GPAWNHNACJWAMX-VHSXEESVSA-N 1 0 392.275 2.037 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000262794554 532602240 /nfs/dbraw/zinc/60/22/40/532602240.db2.gz OXXIQZMINVDSMX-WCBMZHEXSA-N 1 0 392.275 2.085 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](c2cncc(Br)c2)C2CC2)c1 ZINC000284879262 532629021 /nfs/dbraw/zinc/62/90/21/532629021.db2.gz SWMHERJKQLUOFB-CABCVRRESA-N 1 0 396.245 2.051 20 5 GEBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599370760 532659519 /nfs/dbraw/zinc/65/95/19/532659519.db2.gz JULFKFZDIXFTCS-NSHDSACASA-N 1 0 386.246 2.198 20 5 GEBDRO C[N@@H+]1CCN(CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1(C)C ZINC000599900767 532670308 /nfs/dbraw/zinc/67/03/08/532670308.db2.gz PGENOPIOBNUGRT-UHFFFAOYSA-N 1 0 399.289 2.113 20 5 GEBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1F ZINC000285539186 532688435 /nfs/dbraw/zinc/68/84/35/532688435.db2.gz FWSYUXNWWBTJKB-CABZTGNLSA-N 1 0 387.209 2.405 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(CNCCC[NH+]2CCC2)c1 ZINC000569708760 532705288 /nfs/dbraw/zinc/70/52/88/532705288.db2.gz RZXCNRCEWJPFFO-UHFFFAOYSA-N 1 0 375.210 2.385 20 5 GEBDRO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCC[NH2+]C1 ZINC000440345712 532710709 /nfs/dbraw/zinc/71/07/09/532710709.db2.gz SLGQEECTDVDQKF-UWVGGRQHSA-N 1 0 392.275 2.024 20 5 GEBDRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440411402 532713748 /nfs/dbraw/zinc/71/37/48/532713748.db2.gz ZNFOBOJLBSJBER-BXKDBHETSA-N 1 0 392.275 2.153 20 5 GEBDRO CC1(CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000440866414 532724813 /nfs/dbraw/zinc/72/48/13/532724813.db2.gz ZBDVTXJDJKAJTM-UHFFFAOYSA-N 1 0 392.275 2.025 20 5 GEBDRO CC[NH+](CC)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000446939740 532756629 /nfs/dbraw/zinc/75/66/29/532756629.db2.gz BJJDCHVRJOTSDR-UHFFFAOYSA-N 1 0 394.291 2.368 20 5 GEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000582605577 532760759 /nfs/dbraw/zinc/76/07/59/532760759.db2.gz GELIPJUIZIXCAJ-NSHDSACASA-N 1 0 379.360 2.129 20 5 GEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)c1 ZINC000582780988 532762205 /nfs/dbraw/zinc/76/22/05/532762205.db2.gz NVCMOFJFNXRUQH-NSHDSACASA-N 1 0 375.212 2.128 20 5 GEBDRO O=[N+]([O-])c1cncc(Br)c1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000270376139 532797240 /nfs/dbraw/zinc/79/72/40/532797240.db2.gz OBKZJCQMCGNPMS-UHFFFAOYSA-N 1 0 385.262 2.301 20 5 GEBDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000332089390 532849071 /nfs/dbraw/zinc/84/90/71/532849071.db2.gz UOYYEWUCIRQPBT-JKSUJKDBSA-N 1 0 385.511 2.104 20 5 GEBDRO COC[C@@]1(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000415701413 532853937 /nfs/dbraw/zinc/85/39/37/532853937.db2.gz OLAFYGLWSUVPJF-AWEZNQCLSA-N 1 0 387.234 2.247 20 5 GEBDRO COCCOCC[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289689753 532863094 /nfs/dbraw/zinc/86/30/94/532863094.db2.gz IAQYTSODXSXIKM-UHFFFAOYSA-N 1 0 394.209 2.294 20 5 GEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000290809642 532890085 /nfs/dbraw/zinc/89/00/85/532890085.db2.gz SDCPMSZUBPETAZ-ZWNOBZJWSA-N 1 0 391.852 2.492 20 5 GEBDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000290738498 532888387 /nfs/dbraw/zinc/88/83/87/532888387.db2.gz LUNJQMBZWBFBOH-GWCFXTLKSA-N 1 0 391.852 2.492 20 5 GEBDRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290903087 532892169 /nfs/dbraw/zinc/89/21/69/532892169.db2.gz OEZCDRGQTWFOAS-LLVKDONJSA-N 1 0 382.269 2.415 20 5 GEBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291500398 532903222 /nfs/dbraw/zinc/90/32/22/532903222.db2.gz MPSUJMXLCYFTSM-JTQLQIEISA-N 1 0 375.256 2.267 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)c(C(F)(F)F)c1 ZINC000367833018 532927767 /nfs/dbraw/zinc/92/77/67/532927767.db2.gz QKHVCJNFJUFRBX-GFCCVEGCSA-N 1 0 379.360 2.034 20 5 GEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000368483072 532932783 /nfs/dbraw/zinc/93/27/83/532932783.db2.gz QKAZICKYZYJNQJ-OSAQELSMSA-N 1 0 382.258 2.486 20 5 GEBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000370467627 532943603 /nfs/dbraw/zinc/94/36/03/532943603.db2.gz DESJKFCZEFWFSI-ZDUSSCGKSA-N 1 0 387.889 2.302 20 5 GEBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821614509 599081010 /nfs/dbraw/zinc/08/10/10/599081010.db2.gz JCFZIVRTXFXDRJ-INIZCTEOSA-N 1 0 379.424 2.486 20 5 GEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000737194246 598816680 /nfs/dbraw/zinc/81/66/80/598816680.db2.gz GDEOFKQYTDCLHP-CQSZACIVSA-N 1 0 379.424 2.486 20 5 GEBDRO C[NH+](C)C1(CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000821581309 599581337 /nfs/dbraw/zinc/58/13/37/599581337.db2.gz IJHDMALIWVCOAC-UHFFFAOYSA-N 1 0 379.424 2.286 20 5 GEBDRO CC1CC[NH+](C[C@@H]2CCCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C2)CC1 ZINC000820723031 606704550 /nfs/dbraw/zinc/70/45/50/606704550.db2.gz UHTBFFGQTKTDEE-AWEZNQCLSA-N 1 0 386.460 2.118 20 5 GEBDRO CN(c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821619480 606789069 /nfs/dbraw/zinc/78/90/69/606789069.db2.gz YUVZBTSBYUUPDM-INIZCTEOSA-N 1 0 379.424 2.486 20 5 GEBDRO CC(C)[N@@H+]1CC[C@@H](CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820129307 606797596 /nfs/dbraw/zinc/79/75/96/606797596.db2.gz YOOYMPVJAXWHKE-LBPRGKRZSA-N 1 0 382.428 2.465 20 5 GEBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000823620005 607163081 /nfs/dbraw/zinc/16/30/81/607163081.db2.gz FYQZIIDVTCFQOM-OAHLLOKOSA-N 1 0 380.412 2.419 20 5 GEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825428316 608061212 /nfs/dbraw/zinc/06/12/12/608061212.db2.gz JHICEPISDJHAIM-ZDUSSCGKSA-N 1 0 383.412 2.020 20 5 GEBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000824586011 608468657 /nfs/dbraw/zinc/46/86/57/608468657.db2.gz WHGYKMVDYQQPOH-GFCCVEGCSA-N 1 0 381.396 2.454 20 5 GEBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824586072 608484927 /nfs/dbraw/zinc/48/49/27/608484927.db2.gz XBGRQWVPFJTQAD-LBPRGKRZSA-N 1 0 381.396 2.454 20 5 GEBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c([N+](=O)[O-])c1 ZINC000826209467 608493985 /nfs/dbraw/zinc/49/39/85/608493985.db2.gz CWBYVNBPMUVNGW-LLVKDONJSA-N 1 0 397.395 2.073 20 5 GEBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000447024676 649994677 /nfs/dbraw/zinc/99/46/77/649994677.db2.gz AIXYNNOXQYFWCR-NXEZZACHSA-N 1 0 392.275 2.118 20 5 GEBDRO C[C@@H]1C[N@H+](CCO)CCN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000450955384 650076460 /nfs/dbraw/zinc/07/64/60/650076460.db2.gz PIFUOVGDHXXJDK-LLVKDONJSA-N 1 0 395.257 2.408 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000461894810 650462128 /nfs/dbraw/zinc/46/21/28/650462128.db2.gz PRYOHLIAGJAFAE-ZDUSSCGKSA-N 1 0 392.275 2.024 20 5 GEBDRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000512415024 650547748 /nfs/dbraw/zinc/54/77/48/650547748.db2.gz KSRURRGFCJQCQM-SECBINFHSA-N 1 0 382.269 2.474 20 5 GEBDRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000518185852 650602580 /nfs/dbraw/zinc/60/25/80/650602580.db2.gz STLJEMKTQSZIBU-NSHDSACASA-N 1 0 392.275 2.249 20 5 GEBDRO CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000037253225 642512339 /nfs/dbraw/zinc/51/23/39/642512339.db2.gz QKGBKFYRDQDTNR-UHFFFAOYSA-N 1 0 391.209 2.271 20 5 GEBDRO CNS(=O)(=O)c1ccc(NC[C@H](c2ccsc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000045733257 642595015 /nfs/dbraw/zinc/59/50/15/642595015.db2.gz ZMUMBWVMLMVJSV-OAHLLOKOSA-N 1 0 384.483 2.279 20 5 GEBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NCCC[NH+]2CCCC2)c1 ZINC000066569193 642921341 /nfs/dbraw/zinc/92/13/41/642921341.db2.gz PLNQGQOCCZLYQX-UHFFFAOYSA-N 1 0 392.275 2.122 20 5 GEBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1[NH+](C)C ZINC000495728983 650827188 /nfs/dbraw/zinc/82/71/88/650827188.db2.gz PBBYZAZBKYZREL-OLZOCXBDSA-N 1 0 388.287 2.475 20 5 GEBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000113267791 643388392 /nfs/dbraw/zinc/38/83/92/643388392.db2.gz DYWAVUSBCGUNQE-WCQYABFASA-N 1 0 397.273 2.464 20 5 GEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000124371983 643685683 /nfs/dbraw/zinc/68/56/83/643685683.db2.gz OTKKPIHMMKDODE-NXEZZACHSA-N 1 0 392.275 2.105 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000154349869 644037936 /nfs/dbraw/zinc/03/79/36/644037936.db2.gz PJQYZYWXEWWSAE-CYBMUJFWSA-N 1 0 380.253 2.276 20 5 GEBDRO CN1CC[NH+](CCCCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000161900996 644224493 /nfs/dbraw/zinc/22/44/93/644224493.db2.gz TVQJGTAEMMPDMN-UHFFFAOYSA-N 1 0 399.289 2.115 20 5 GEBDRO C[C@@H](CSC(C)(C)C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000161961852 644227407 /nfs/dbraw/zinc/22/74/07/644227407.db2.gz YBMKVZCQXFGPFU-LBPRGKRZSA-N 1 0 375.516 2.383 20 5 GEBDRO C[NH+](C)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000173024542 644349021 /nfs/dbraw/zinc/34/90/21/644349021.db2.gz BTNGSVMQMJGDMF-UHFFFAOYSA-N 1 0 392.275 2.072 20 5 GEBDRO COCC[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000180548871 644506277 /nfs/dbraw/zinc/50/62/77/644506277.db2.gz KLOVQZXYLBHTQX-UHFFFAOYSA-N 1 0 386.246 2.198 20 5 GEBDRO [NH3+]C[C@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C1CCCC1 ZINC000194776415 645348370 /nfs/dbraw/zinc/34/83/70/645348370.db2.gz NFRVEWHUCYXOKY-NSHDSACASA-N 1 0 392.275 2.153 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C(F)(F)F)c1 ZINC000237796261 645441915 /nfs/dbraw/zinc/44/19/15/645441915.db2.gz BPBAANAHLFXHIK-ULKQDVFKSA-N 1 0 379.360 2.175 20 5 GEBDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000269332826 646027134 /nfs/dbraw/zinc/02/71/34/646027134.db2.gz CMYSLPWFPNHANP-NSHDSACASA-N 1 0 392.275 2.072 20 5 GEBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000281410129 646769410 /nfs/dbraw/zinc/76/94/10/646769410.db2.gz HUEYLUDIWBOUIP-UHFFFAOYSA-N 1 0 394.291 2.320 20 5 GEBDRO Cn1c(Sc2ncnc3sc([N+](=O)[O-])cc32)nnc1[C@H]1CCC[NH2+]C1 ZINC000287352706 646885212 /nfs/dbraw/zinc/88/52/12/646885212.db2.gz PKXPRHRECZHGAN-QMMMGPOBSA-N 1 0 377.455 2.346 20 5 GEBDRO C[NH+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000308672988 647280757 /nfs/dbraw/zinc/28/07/57/647280757.db2.gz CKGCYKJEADPXJD-UHFFFAOYSA-N 1 0 391.209 2.269 20 5 GEBDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000331316367 647379969 /nfs/dbraw/zinc/37/99/69/647379969.db2.gz AEPBTNSRPSESTE-LLVKDONJSA-N 1 0 392.275 2.072 20 5 GEBDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000331316368 647380029 /nfs/dbraw/zinc/38/00/29/647380029.db2.gz AEPBTNSRPSESTE-NSHDSACASA-N 1 0 392.275 2.072 20 5 GEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363258319 647589177 /nfs/dbraw/zinc/58/91/77/647589177.db2.gz FOOLMHVTUAQNFT-YUTCNCBUSA-N 1 0 385.873 2.353 20 5 GEBDRO CCC[N@@H+]1CC[C@@H](CNc2c(I)cncc2[N+](=O)[O-])C1 ZINC000418847196 648316956 /nfs/dbraw/zinc/31/69/56/648316956.db2.gz HPUVEEQGVFDXEZ-JTQLQIEISA-N 1 0 390.225 2.160 20 5 GEBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2c(I)cncc2[N+](=O)[O-])C1 ZINC000418889582 648321242 /nfs/dbraw/zinc/32/12/42/648321242.db2.gz IAZIDGGIAFCBSL-UWVGGRQHSA-N 1 0 390.225 2.301 20 5 GEBDRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420450388 648417715 /nfs/dbraw/zinc/41/77/15/648417715.db2.gz AUIQPQGINWQMNT-LBPRGKRZSA-N 1 0 381.376 2.280 20 5 GEBDRO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000420464506 648418292 /nfs/dbraw/zinc/41/82/92/648418292.db2.gz PFCOOKPYHQGVNI-LLVKDONJSA-N 1 0 380.264 2.009 20 5 GEBDRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000420762627 648453445 /nfs/dbraw/zinc/45/34/45/648453445.db2.gz IHBKVNWAWHMWJE-NSHDSACASA-N 1 0 392.275 2.072 20 5 GEBDRO C[N@@H+](Cc1cc(Br)cs1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438832325 648805996 /nfs/dbraw/zinc/80/59/96/648805996.db2.gz UKOFKEDWNARWSH-LLVKDONJSA-N 1 0 375.248 2.108 20 5 GEBDRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000440801505 648813739 /nfs/dbraw/zinc/81/37/39/648813739.db2.gz ARRBRHGGSBDTOF-SNVBAGLBSA-N 1 0 392.275 2.107 20 5 GEBDRO CC(C)(C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)OCCO ZINC000554977332 651215362 /nfs/dbraw/zinc/21/53/62/651215362.db2.gz OTJYQQANWHXURL-UHFFFAOYSA-N 1 0 394.209 2.077 20 5 GEBDRO COCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000555874767 651231937 /nfs/dbraw/zinc/23/19/37/651231937.db2.gz IZEPPWNQOAMRMX-UHFFFAOYSA-N 1 0 388.262 2.316 20 5 GEBDRO CC[C@H]([NH3+])c1cn(Cc2cc(I)cc([N+](=O)[O-])c2)nn1 ZINC000603238212 651472907 /nfs/dbraw/zinc/47/29/07/651472907.db2.gz UFBBTRAFDGBOHQ-NSHDSACASA-N 1 0 387.181 2.249 20 5 GEBDRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000729489668 651570381 /nfs/dbraw/zinc/57/03/81/651570381.db2.gz QXZNCMDWUFBLCX-UHFFFAOYSA-N 1 0 393.893 2.227 20 5 GEBDRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000609199123 651613246 /nfs/dbraw/zinc/61/32/46/651613246.db2.gz CSFDQUAPFVHQAL-UHFFFAOYSA-N 1 0 393.893 2.227 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCc3c2cccc3Br)c1 ZINC000571198465 651816992 /nfs/dbraw/zinc/81/69/92/651816992.db2.gz LHUUDUNVHXTEBD-IAQYHMDHSA-N 1 0 381.230 2.192 20 5 GEBDRO [NH3+][C@@H]1CCC[C@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Br)C[C@H]21 ZINC000576822842 652146025 /nfs/dbraw/zinc/14/60/25/652146025.db2.gz COIGAPGKRLVOGI-ZKYQVNSYSA-N 1 0 397.273 2.355 20 5 GEBDRO [NH3+][C@H]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000577849750 652222051 /nfs/dbraw/zinc/22/20/51/652222051.db2.gz DGHHKLAEIUNEDK-UWVGGRQHSA-N 1 0 381.376 2.409 20 5 GEBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1I)C1(C[NH3+])CCC1 ZINC000579222262 652326012 /nfs/dbraw/zinc/32/60/12/652326012.db2.gz GZXSEAKCYABJHS-UHFFFAOYSA-N 1 0 389.193 2.153 20 5 GEBDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000757743998 652521484 /nfs/dbraw/zinc/52/14/84/652521484.db2.gz CDNKIXNROFFHMI-QMMMGPOBSA-N 1 0 398.254 2.115 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H](CO)CC2CC2)c1 ZINC000589315936 652565632 /nfs/dbraw/zinc/56/56/32/652565632.db2.gz NEUWRWBHYLNSCM-GFCCVEGCSA-N 1 0 376.194 2.450 20 5 GEBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NCCC2CC[NH2+]CC2)c1 ZINC000593733702 652634096 /nfs/dbraw/zinc/63/40/96/652634096.db2.gz ZADIHRRSPCUGMY-UHFFFAOYSA-N 1 0 392.275 2.025 20 5 GEBDRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000596051921 652752465 /nfs/dbraw/zinc/75/24/65/652752465.db2.gz RFHAXDZZTYKUEM-SECBINFHSA-N 1 0 395.281 2.124 20 5 GEBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000596053249 652752886 /nfs/dbraw/zinc/75/28/86/652752886.db2.gz XXSFFTXIVFQVBW-JTQLQIEISA-N 1 0 375.756 2.067 20 5 GEBDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000597247086 652777406 /nfs/dbraw/zinc/77/74/06/652777406.db2.gz YHPBURJSWCNEEP-HOMQSWHASA-N 1 0 390.177 2.241 20 5 GEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599103249 652849685 /nfs/dbraw/zinc/84/96/85/652849685.db2.gz PXOICCDCMDXVIN-GFCCVEGCSA-N 1 0 379.360 2.177 20 5 GEBDRO COC1CC[NH+](CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599642514 652881466 /nfs/dbraw/zinc/88/14/66/652881466.db2.gz HUQCGCHZUMWKNH-UHFFFAOYSA-N 1 0 386.246 2.198 20 5 GEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000601422800 653094093 /nfs/dbraw/zinc/09/40/93/653094093.db2.gz ZMEANJVBAOALEH-MWLCHTKSSA-N 1 0 381.376 2.327 20 5 GEBDRO Cc1cc(S(=O)(=O)N2CCCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])s1 ZINC000601521586 653106178 /nfs/dbraw/zinc/10/61/78/653106178.db2.gz NVDJRKMXIFOZSG-UHFFFAOYSA-N 1 0 382.467 2.261 20 5 GEBDRO CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)O1 ZINC000602584147 653192244 /nfs/dbraw/zinc/19/22/44/653192244.db2.gz WUKXQVUDJYMARF-LDYMZIIASA-N 1 0 392.275 2.144 20 5 GEBDRO CN(CCC[NH+]1CCN(C)CC1)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602658442 653199004 /nfs/dbraw/zinc/19/90/04/653199004.db2.gz XTTHVBUOYAIZDJ-UHFFFAOYSA-N 1 0 391.335 2.488 20 5 GEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)n1 ZINC000602886066 653212415 /nfs/dbraw/zinc/21/24/15/653212415.db2.gz IUUUQVODAFRADI-GFCCVEGCSA-N 1 0 382.218 2.102 20 5 GEBDRO Cn1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c([N+](=O)[O-])n1 ZINC000602916270 653214763 /nfs/dbraw/zinc/21/47/63/653214763.db2.gz NHVHZVCKSTVWDX-MRXNPFEDSA-N 1 0 395.257 2.100 20 5 GEBDRO CS[C@@H]1CN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@@H]1[NH+](C)C ZINC000809828973 653304644 /nfs/dbraw/zinc/30/46/44/653304644.db2.gz WUGHVDKMNLQSHF-NWDGAFQWSA-N 1 0 397.881 2.053 20 5 GEBDRO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000857335405 653310812 /nfs/dbraw/zinc/31/08/12/653310812.db2.gz UGJAMXKOAPERLP-LBPRGKRZSA-N 1 0 398.257 2.029 20 5 GEBDRO CSC1(CNS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000810084165 653322760 /nfs/dbraw/zinc/32/27/60/653322760.db2.gz TYNPQQRRLAVNLY-UHFFFAOYSA-N 1 0 391.490 2.148 20 5 GEBDRO CC[C@@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000858822566 653379852 /nfs/dbraw/zinc/37/98/52/653379852.db2.gz MROQXEJFSHJQFX-VHSXEESVSA-N 1 0 381.376 2.465 20 5 GEBDRO C[NH+]1CCC(NC(=S)NNc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000777473242 653399223 /nfs/dbraw/zinc/39/92/23/653399223.db2.gz FVVFKHMNJXKSLI-UHFFFAOYSA-N 1 0 388.291 2.243 20 5 GEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c(F)c1 ZINC000778090031 653425111 /nfs/dbraw/zinc/42/51/11/653425111.db2.gz ZRZPHXPMOGSSHQ-UHFFFAOYSA-N 1 0 381.376 2.088 20 5 GEBDRO O=[N+]([O-])c1sc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1Br ZINC000877021749 653460943 /nfs/dbraw/zinc/46/09/43/653460943.db2.gz FXYQKAXDSCFDBR-ZJUUUORDSA-N 1 0 376.276 2.372 20 5 GEBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000814987195 653641952 /nfs/dbraw/zinc/64/19/52/653641952.db2.gz LLKMWLCXRYIHCR-SECBINFHSA-N 1 0 377.825 2.150 20 5 GEBDRO C[C@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000814994202 653642311 /nfs/dbraw/zinc/64/23/11/653642311.db2.gz JZVCXABTEWLUIV-SNVBAGLBSA-N 1 0 379.841 2.398 20 5 GEBDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000815024899 653645192 /nfs/dbraw/zinc/64/51/92/653645192.db2.gz ORLNEDGQVZNCDD-GXFFZTMASA-N 1 0 391.852 2.492 20 5 GEBDRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])C2)C1 ZINC000815049308 653648237 /nfs/dbraw/zinc/64/82/37/653648237.db2.gz YTSUGLMHFYPRDS-AWEZNQCLSA-N 1 0 377.825 2.104 20 5 GEBDRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000840951804 653703451 /nfs/dbraw/zinc/70/34/51/653703451.db2.gz BKIXRISFJWHEPX-UHFFFAOYSA-N 1 0 392.275 2.072 20 5 GEBDRO COC[C@@]1(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000841162336 653708574 /nfs/dbraw/zinc/70/85/74/653708574.db2.gz URGPSLCTMAZXRJ-AWEZNQCLSA-N 1 0 387.234 2.247 20 5 GEBDRO O=C(Nc1ccc([N+](=O)[O-])c(I)c1)N1CCC[NH2+]CC1 ZINC000841233745 653711480 /nfs/dbraw/zinc/71/14/80/653711480.db2.gz FZLCRARHKSFERN-UHFFFAOYSA-N 1 0 390.181 2.027 20 5 GEBDRO O=C(NC[C@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841233940 653711628 /nfs/dbraw/zinc/71/16/28/653711628.db2.gz LIXWNQKHDBPFIY-SECBINFHSA-N 1 0 390.181 2.073 20 5 GEBDRO C[NH+](C)CC(C)(C)NS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000841529821 653728124 /nfs/dbraw/zinc/72/81/24/653728124.db2.gz OZHIZLOBGOWHLT-UHFFFAOYSA-N 1 0 398.254 2.115 20 5 GEBDRO CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842482663 653758121 /nfs/dbraw/zinc/75/81/21/653758121.db2.gz DEBNHDAFGCPXEL-NSHDSACASA-N 1 0 380.264 2.009 20 5 GEBDRO CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000842483802 653758206 /nfs/dbraw/zinc/75/82/06/653758206.db2.gz QKRXMKQMVVGQIS-NSHDSACASA-N 1 0 380.264 2.009 20 5 GEBDRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000842841745 653770234 /nfs/dbraw/zinc/77/02/34/653770234.db2.gz QJSVGXMVYNPTMG-JTQLQIEISA-N 1 0 392.275 2.107 20 5 GEBDRO CN1CC[C@@H]([NH+]2CCC(Nc3cccc(Br)c3[N+](=O)[O-])CC2)C1=O ZINC000865885887 653778714 /nfs/dbraw/zinc/77/87/14/653778714.db2.gz BJIYBYPVNPJUEV-CQSZACIVSA-N 1 0 397.273 2.464 20 5 GEBDRO C[NH+](C)C[C@]1(O)CCN(c2c3ccc(Br)cc3ncc2[N+](=O)[O-])C1 ZINC000895009751 653812500 /nfs/dbraw/zinc/81/25/00/653812500.db2.gz DRGHDABAXFFSAN-MRXNPFEDSA-N 1 0 395.257 2.408 20 5 GEBDRO C[N@@H+]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)[C@@H](Cc2ccccc2)C1 ZINC000844743433 653816103 /nfs/dbraw/zinc/81/61/03/653816103.db2.gz XNJZWRQUAACGGF-AWEZNQCLSA-N 1 0 394.273 2.370 20 5 GEBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000883416061 653839591 /nfs/dbraw/zinc/83/95/91/653839591.db2.gz KUEUCGPKDLWXEY-LBPRGKRZSA-N 1 0 383.246 2.393 20 5 GEBDRO CCCN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000823499973 653870171 /nfs/dbraw/zinc/87/01/71/653870171.db2.gz QTRKEICPHJQKHM-LLVKDONJSA-N 1 0 385.262 2.496 20 5 GEBDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCc3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000896447160 653880463 /nfs/dbraw/zinc/88/04/63/653880463.db2.gz QNWHCQYEMGYGJG-RISCZKNCSA-N 1 0 383.246 2.203 20 5 GEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827233653 653982156 /nfs/dbraw/zinc/98/21/56/653982156.db2.gz QWBHKRJWXDBFEN-OCCSQVGLSA-N 1 0 382.258 2.452 20 5 GEBDRO CC[N@H+](CCNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])C1CC1 ZINC000796108410 653986684 /nfs/dbraw/zinc/98/66/84/653986684.db2.gz OCILCPRTVHDMAD-UHFFFAOYSA-N 1 0 399.289 2.394 20 5 GEBDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)CC[C@H]21 ZINC000867809893 653990958 /nfs/dbraw/zinc/99/09/58/653990958.db2.gz VDXQMGUAQLTBCM-JOYOIKCWSA-N 1 0 377.825 2.102 20 5 GEBDRO CC(C)[N@H+](C)CCNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796433015 653997724 /nfs/dbraw/zinc/99/77/24/653997724.db2.gz CJEOJOHXYKMVEP-UHFFFAOYSA-N 1 0 387.278 2.250 20 5 GEBDRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796490551 653998998 /nfs/dbraw/zinc/99/89/98/653998998.db2.gz VVQLXQAHMVOIOR-RISCZKNCSA-N 1 0 375.878 2.446 20 5 GEBDRO CN(CC(=O)N(C)[C@@H]1CCC[N@H+](C)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796638676 654002926 /nfs/dbraw/zinc/00/29/26/654002926.db2.gz FGKNXXMIHGCTNJ-CYBMUJFWSA-N 1 0 399.289 2.346 20 5 GEBDRO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000798172706 654052845 /nfs/dbraw/zinc/05/28/45/654052845.db2.gz MUVPWXQIOWHTIO-LLVKDONJSA-N 1 0 383.246 2.310 20 5 GEBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C[C@@H]2C1 ZINC000916662093 654104055 /nfs/dbraw/zinc/10/40/55/654104055.db2.gz KDZMGZPWFPYSQR-ZJUUUORDSA-N 1 0 394.280 2.474 20 5 GEBDRO CN(CC(C)(C)[NH3+])C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000850741403 654104435 /nfs/dbraw/zinc/10/44/35/654104435.db2.gz OUIMOHTZYJQTKN-UHFFFAOYSA-N 1 0 392.197 2.400 20 5 GEBDRO C[NH+](C)CCn1nnnc1SCc1c(Br)cccc1[N+](=O)[O-] ZINC000901466160 654126142 /nfs/dbraw/zinc/12/61/42/654126142.db2.gz JLGDIYWPQKZBFY-UHFFFAOYSA-N 1 0 387.263 2.198 20 5 GEBDRO C[N@H+]1CC=C(CNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000889721495 654164338 /nfs/dbraw/zinc/16/43/38/654164338.db2.gz DZIIJUDQGUWAKX-UHFFFAOYSA-N 1 0 383.246 2.418 20 5 GEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889763903 654170023 /nfs/dbraw/zinc/17/00/23/654170023.db2.gz OVXYKOZLIIUGQH-LSDHHAIUSA-N 1 0 398.257 2.029 20 5 GEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889767606 654170752 /nfs/dbraw/zinc/17/07/52/654170752.db2.gz IDIOFLUYUMKGOW-UONOGXRCSA-N 1 0 398.257 2.029 20 5 GEBDRO CCO[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C[NH+](C)C ZINC000831719453 654202602 /nfs/dbraw/zinc/20/26/02/654202602.db2.gz RZMPZKFXZRRFOV-GFCCVEGCSA-N 1 0 388.262 2.362 20 5 GEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(OC)CCS(=O)(=O)C1 ZINC000903365606 654235763 /nfs/dbraw/zinc/23/57/63/654235763.db2.gz OHRPQEMJLJXSGU-CZUORRHYSA-N 1 0 388.511 2.259 20 5 GEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000802979423 654253511 /nfs/dbraw/zinc/25/35/11/654253511.db2.gz YNCKWLBUPWCJOS-NWDGAFQWSA-N 1 0 399.289 2.345 20 5 GEBDRO C[NH+](C)CCCNC(=S)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000905529397 654364151 /nfs/dbraw/zinc/36/41/51/654364151.db2.gz ILHKEORHXOAZJH-UHFFFAOYSA-N 1 0 375.292 2.273 20 5 GEBDRO Cc1c(Br)cccc1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000905561083 654366251 /nfs/dbraw/zinc/36/62/51/654366251.db2.gz PZZVPCXDLMJFBV-CQSZACIVSA-N 1 0 383.246 2.055 20 5 GEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000854650142 654373134 /nfs/dbraw/zinc/37/31/34/654373134.db2.gz NUTAQWXNDYSTOR-AAEUAGOBSA-N 1 0 399.289 2.345 20 5 GEBDRO O=[N+]([O-])c1cnc2cc(Br)ccc2c1N1CCC([NH2+]CCO)CC1 ZINC000893022279 654376133 /nfs/dbraw/zinc/37/61/33/654376133.db2.gz KJACBNOWJGJDBA-UHFFFAOYSA-N 1 0 395.257 2.456 20 5 GEBDRO C[C@@H](CCNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])[NH+](C)C ZINC000855417899 654418459 /nfs/dbraw/zinc/41/84/59/654418459.db2.gz RGIREHMNVJWUDA-NSHDSACASA-N 1 0 387.278 2.250 20 5 GEBDRO O=[N+]([O-])c1cnc2cc(Br)ccc2c1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000894349781 654467593 /nfs/dbraw/zinc/46/75/93/654467593.db2.gz OSJPGURVTZCDOQ-GFCCVEGCSA-N 1 0 393.241 2.161 20 5 GEBDRO CCO[C@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000930543828 654712719 /nfs/dbraw/zinc/71/27/19/654712719.db2.gz HJRMKLDBOLOCRS-LLVKDONJSA-N 1 0 389.250 2.446 20 5 GEBDRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(OC)c([N+](=O)[O-])cn3)CC2)CC1 ZINC001164614639 719025187 /nfs/dbraw/zinc/02/51/87/719025187.db2.gz VWCOZVILLKYKIR-UHFFFAOYSA-N 1 0 392.456 2.242 20 5 GEBDRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(OC)cc3[N+](=O)[O-])CC2)CC1 ZINC001164613896 719025809 /nfs/dbraw/zinc/02/58/09/719025809.db2.gz JCANLLPFVWQZQB-UHFFFAOYSA-N 1 0 392.456 2.242 20 5 GEBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])C2 ZINC001164815856 720122262 /nfs/dbraw/zinc/12/22/62/720122262.db2.gz WKZAUXUOFDSLNH-RDTXWAMCSA-N 1 0 396.875 2.066 20 5 GEBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncc([N+](=O)[O-])cc2F)CC1 ZINC001164818586 720310805 /nfs/dbraw/zinc/31/08/05/720310805.db2.gz ALZIQRGSZQKAHB-DLBZAZTESA-N 1 0 391.447 2.040 20 5 GEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727877 720409413 /nfs/dbraw/zinc/40/94/13/720409413.db2.gz SAICEVHMAWEEFH-ZWKOTPCHSA-N 1 0 397.435 2.415 20 5 GEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)n1 ZINC001164731238 720507919 /nfs/dbraw/zinc/50/79/19/720507919.db2.gz ONAXCHMEVNUAPA-JTQLQIEISA-N 1 0 397.892 2.155 20 5 GEBDRO Cc1ncc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164833770 720534340 /nfs/dbraw/zinc/53/43/40/720534340.db2.gz BOBUVTKLMNOLHM-BRWVUGGUSA-N 1 0 385.472 2.268 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nccc(Cl)c4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164765845 721077000 /nfs/dbraw/zinc/07/70/00/721077000.db2.gz JXVNMJLKURPJJB-KGLIPLIRSA-N 1 0 376.848 2.335 20 5 GEBDRO COc1cc(C)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164864040 721080383 /nfs/dbraw/zinc/08/03/83/721080383.db2.gz DQLQMKIEWXHFJA-DLBZAZTESA-N 1 0 399.451 2.182 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5cccc([N+](=O)[O-])c54)C[C@@H]3C2)cn1 ZINC001164763866 721233604 /nfs/dbraw/zinc/23/36/04/721233604.db2.gz NJLKGRYFRGSNJR-CVEARBPZSA-N 1 0 393.451 2.230 20 5 GEBDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001164928997 721857577 /nfs/dbraw/zinc/85/75/77/721857577.db2.gz PNCMZWXDXPFAOG-KBPBESRZSA-N 1 0 389.834 2.403 20 5 GEBDRO O=[N+]([O-])c1cc(-c2ccc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)nn2)ccc1F ZINC001164967406 722076728 /nfs/dbraw/zinc/07/67/28/722076728.db2.gz FAKBUBZVYWWVHF-IYBDPMFKSA-N 1 0 399.426 2.490 20 5 GEBDRO COc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164984755 722106332 /nfs/dbraw/zinc/10/63/32/722106332.db2.gz UVAOGCRFIIDNGV-FUHWJXTLSA-N 1 0 399.451 2.121 20 5 GEBDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159620118 531787732 /nfs/dbraw/zinc/78/77/32/531787732.db2.gz UMFNFRNDIINCQR-UHFFFAOYSA-N 1 0 396.245 2.284 20 5 GEBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000162111190 531836161 /nfs/dbraw/zinc/83/61/61/531836161.db2.gz XMWXNRBULDMBJT-IUCAKERBSA-N 1 0 389.193 2.199 20 5 GEBDRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000163360288 531857384 /nfs/dbraw/zinc/85/73/84/531857384.db2.gz DITABLYZIDJQTC-SNVBAGLBSA-N 1 0 381.376 2.186 20 5 GEBDRO Cc1sc(S(=O)(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000123260542 532096795 /nfs/dbraw/zinc/09/67/95/532096795.db2.gz CZAXUCSPRUSUNV-CQSZACIVSA-N 1 0 383.495 2.416 20 5 GEBDRO C[NH+](C)CCn1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000131718377 532202467 /nfs/dbraw/zinc/20/24/67/532202467.db2.gz TWAQXBJCPHKUMI-UHFFFAOYSA-N 1 0 396.245 2.297 20 5 GEBDRO COc1c(F)cc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000186258076 532340382 /nfs/dbraw/zinc/34/03/82/532340382.db2.gz FFTKRQRMXYJNNQ-UHFFFAOYSA-N 1 0 377.438 2.140 20 5 GEBDRO COc1cc(Br)ccc1[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000190447280 532356105 /nfs/dbraw/zinc/35/61/05/532356105.db2.gz XHPXDAFXFYDBPT-GXFFZTMASA-N 1 0 399.245 2.274 20 5 GEBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)CC[NH2+]1 ZINC000278327953 532374401 /nfs/dbraw/zinc/37/44/01/532374401.db2.gz VVFLJQMVVWAJAE-DTWKUNHWSA-N 1 0 389.193 2.070 20 5 GEBDRO C[C@@H](Cc1ccsc1)N(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000558416347 532390816 /nfs/dbraw/zinc/39/08/16/532390816.db2.gz PGLZUDGAIQLNJR-LBPRGKRZSA-N 1 0 383.495 2.456 20 5 GEBDRO CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Br)c1 ZINC000591732560 532421203 /nfs/dbraw/zinc/42/12/03/532421203.db2.gz RBCMLZMBISTXJD-HNNXBMFYSA-N 1 0 397.273 2.482 20 5 GEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)c1 ZINC000591756647 532421340 /nfs/dbraw/zinc/42/13/40/532421340.db2.gz LRLRNAZRWGKCQR-NSHDSACASA-N 1 0 375.212 2.128 20 5 GEBDRO O=[N+]([O-])c1cc(Br)ccc1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000591843213 532426370 /nfs/dbraw/zinc/42/63/70/532426370.db2.gz IMHSAQXSPXIZHB-ZBFHGGJFSA-N 1 0 384.274 2.388 20 5 GEBDRO COc1cc(C[NH2+]CC2([S@@](C)=O)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000281813750 532435161 /nfs/dbraw/zinc/43/51/61/532435161.db2.gz QJHRQJQITPXULZ-RUZDIDTESA-N 1 0 378.397 2.248 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427934288 532438252 /nfs/dbraw/zinc/43/82/52/532438252.db2.gz SXARTWPEHIHLLU-KCJUWKMLSA-N 1 0 380.253 2.274 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCOc3c(Br)cccc32)c1 ZINC000282048457 532442258 /nfs/dbraw/zinc/44/22/58/532442258.db2.gz LWCLDQPBGDUMBG-RISCZKNCSA-N 1 0 397.229 2.028 20 5 GEBDRO C[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000592370525 532451938 /nfs/dbraw/zinc/45/19/38/532451938.db2.gz LFKJWGFYCLZMDN-CABZTGNLSA-N 1 0 381.376 2.362 20 5 GEBDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000592370527 532451630 /nfs/dbraw/zinc/45/16/30/532451630.db2.gz LFKJWGFYCLZMDN-SKDRFNHKSA-N 1 0 381.376 2.362 20 5 GEBDRO CC[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592382295 532453014 /nfs/dbraw/zinc/45/30/14/532453014.db2.gz OGTHJLMUJGSVNZ-KOLCDFICSA-N 1 0 392.275 2.105 20 5 GEBDRO CC[C@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592382714 532453255 /nfs/dbraw/zinc/45/32/55/532453255.db2.gz WIMMHGZRLOYEJL-ZANVPECISA-N 1 0 392.275 2.105 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)NC(C)(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000431036896 532505040 /nfs/dbraw/zinc/50/50/40/532505040.db2.gz HEFVGRUXZFWJGX-UHFFFAOYSA-N 1 0 394.291 2.462 20 5 GEBDRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000237329643 532507336 /nfs/dbraw/zinc/50/73/36/532507336.db2.gz PYKUWMWNXUEEKC-ZJUUUORDSA-N 1 0 381.376 2.362 20 5 GEBDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000470448241 532528702 /nfs/dbraw/zinc/52/87/02/532528702.db2.gz NCTHPLQQMIUHNI-UHFFFAOYSA-N 1 0 395.261 2.298 20 5 GEBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000564837531 532534645 /nfs/dbraw/zinc/53/46/45/532534645.db2.gz STIZURCVLBLJPO-LLVKDONJSA-N 1 0 389.193 2.153 20 5 GEBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596104863 532587018 /nfs/dbraw/zinc/58/70/18/532587018.db2.gz OSANWQFYKIVXRR-NSHDSACASA-N 1 0 385.262 2.357 20 5 GEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000284410787 532590573 /nfs/dbraw/zinc/59/05/73/532590573.db2.gz DONSOPFOSFVXAF-UHFFFAOYSA-N 1 0 399.289 2.033 20 5 GEBDRO C[C@H](Cc1ccccc1Br)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000566116491 532593590 /nfs/dbraw/zinc/59/35/90/532593590.db2.gz VTNNANYDKIVJGV-BXUZGUMPSA-N 1 0 383.246 2.136 20 5 GEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000376523903 532616219 /nfs/dbraw/zinc/61/62/19/532616219.db2.gz YCGHJSQIUSNYEK-GXFFZTMASA-N 1 0 383.246 2.451 20 5 GEBDRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000597693119 532624057 /nfs/dbraw/zinc/62/40/57/532624057.db2.gz BFBQLIFHXVAPMX-GJZGRUSLSA-N 1 0 398.257 2.293 20 5 GEBDRO CC[NH+](CC)CCNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000263696177 532634307 /nfs/dbraw/zinc/63/43/07/532634307.db2.gz RIHRMUQGQGQOPD-UHFFFAOYSA-N 1 0 391.209 2.271 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000566972842 532634877 /nfs/dbraw/zinc/63/48/77/532634877.db2.gz BDZKIEXPHCPHLP-JGVFFNPUSA-N 1 0 380.264 2.070 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)c1 ZINC000285486908 532684303 /nfs/dbraw/zinc/68/43/03/532684303.db2.gz IKGRZHLKMQJYKG-IUODEOHRSA-N 1 0 389.239 2.172 20 5 GEBDRO Cc1c(Br)cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000378256821 532686434 /nfs/dbraw/zinc/68/64/34/532686434.db2.gz ZOMZTBDCUVFYQH-CHWSQXEVSA-N 1 0 398.257 2.259 20 5 GEBDRO CN(C[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1)S(C)(=O)=O ZINC000285468483 532683355 /nfs/dbraw/zinc/68/33/55/532683355.db2.gz BTPFTMIQVLRAEI-GFCCVEGCSA-N 1 0 375.878 2.352 20 5 GEBDRO C[NH+](C)CCCCNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000536553066 532692883 /nfs/dbraw/zinc/69/28/83/532692883.db2.gz ZPQUTJLYBHOFNP-UHFFFAOYSA-N 1 0 391.209 2.271 20 5 GEBDRO C[C@H](CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000488670719 532701486 /nfs/dbraw/zinc/70/14/86/532701486.db2.gz RXLIZSPNVZCGOW-SECBINFHSA-N 1 0 392.275 2.118 20 5 GEBDRO C[C@@H](CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000488670724 532701513 /nfs/dbraw/zinc/70/15/13/532701513.db2.gz RXLIZSPNVZCGOW-VIFPVBQESA-N 1 0 392.275 2.118 20 5 GEBDRO C[C@@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000440358317 532711802 /nfs/dbraw/zinc/71/18/02/532711802.db2.gz NGNGJTVMKZRMMV-ZJUUUORDSA-N 1 0 392.275 2.024 20 5 GEBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440355722 532712253 /nfs/dbraw/zinc/71/22/53/532712253.db2.gz HXZDIEAGWHYGPI-NSHDSACASA-N 1 0 392.275 2.120 20 5 GEBDRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000440426639 532714832 /nfs/dbraw/zinc/71/48/32/532714832.db2.gz QHDFJMRXRASWNU-UWVGGRQHSA-N 1 0 392.275 2.105 20 5 GEBDRO COCCN(CC[NH+](C)C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501108763 532737004 /nfs/dbraw/zinc/73/70/04/532737004.db2.gz RFRAWBJULUKKIL-UHFFFAOYSA-N 1 0 389.250 2.399 20 5 GEBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)c(Br)c1 ZINC000301560294 532754705 /nfs/dbraw/zinc/75/47/05/532754705.db2.gz KDILMMHOXQMRGD-RYUDHWBXSA-N 1 0 385.262 2.178 20 5 GEBDRO O=[N+]([O-])c1cc(Br)cnc1N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000301712483 532757091 /nfs/dbraw/zinc/75/70/91/532757091.db2.gz YKCKZDZHZHMHGI-UHFFFAOYSA-N 1 0 385.262 2.443 20 5 GEBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH+](C)C ZINC000286861350 532773671 /nfs/dbraw/zinc/77/36/71/532773671.db2.gz CFFYZRKHYSMRDM-QMMMGPOBSA-N 1 0 391.209 2.188 20 5 GEBDRO COC(=O)[C@H](C)C[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554934387 532806351 /nfs/dbraw/zinc/80/63/51/532806351.db2.gz LRKRRXUTTGARMP-SECBINFHSA-N 1 0 392.193 2.440 20 5 GEBDRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000414468446 532829610 /nfs/dbraw/zinc/82/96/10/532829610.db2.gz YKLUNKGNBPFAHC-UHFFFAOYSA-N 1 0 392.275 2.072 20 5 GEBDRO Cc1c(NC(=O)NC[C@@H]2C[NH2+]CCCO2)cc(Br)cc1[N+](=O)[O-] ZINC000415652687 532852263 /nfs/dbraw/zinc/85/22/63/532852263.db2.gz HTQZPLGIBUGMHM-NSHDSACASA-N 1 0 387.234 2.166 20 5 GEBDRO CC[N@H+](CCOCCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289339977 532852986 /nfs/dbraw/zinc/85/29/86/532852986.db2.gz FRISLCLQQKLIER-UHFFFAOYSA-N 1 0 394.209 2.030 20 5 GEBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416367988 532872148 /nfs/dbraw/zinc/87/21/48/532872148.db2.gz GBVLURPCJPGEKD-NSHDSACASA-N 1 0 381.376 2.376 20 5 GEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000290809638 532890039 /nfs/dbraw/zinc/89/00/39/532890039.db2.gz SDCPMSZUBPETAZ-MFKMUULPSA-N 1 0 391.852 2.492 20 5 GEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000368550070 532933366 /nfs/dbraw/zinc/93/33/66/532933366.db2.gz FSTHTXSWEXRTMS-QWRGUYRKSA-N 1 0 383.246 2.451 20 5 GEBDRO O=C(CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)NCc1ccc(Cl)s1 ZINC000369683116 532940378 /nfs/dbraw/zinc/94/03/78/532940378.db2.gz IZSLEASYCLKSCH-UHFFFAOYSA-N 1 0 383.861 2.460 20 5 GEBDRO O=[N+]([O-])c1cnc(NC[C@@H](c2cccs2)[NH+]2CCCC2)c(-c2nn[nH]n2)c1 ZINC000823651475 599277869 /nfs/dbraw/zinc/27/78/69/599277869.db2.gz LEXWQAOOYCKQCZ-ZDUSSCGKSA-N 1 0 386.441 2.480 20 5 GEBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736204942 598498994 /nfs/dbraw/zinc/49/89/94/598498994.db2.gz UNNSPAKOIATMQY-GXTWGEPZSA-N 1 0 380.412 2.417 20 5 GEBDRO O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc(-c3nn[nH]n3)c2c1 ZINC000823645544 599483852 /nfs/dbraw/zinc/48/38/52/599483852.db2.gz TUJJSJWUSOFKCK-VXGBXAGGSA-N 1 0 380.412 2.362 20 5 GEBDRO CC(C)[NH2+][C@H]1CCCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820137894 599508487 /nfs/dbraw/zinc/50/84/87/599508487.db2.gz PRQQLKKXSKKTAT-LBPRGKRZSA-N 1 0 382.428 2.290 20 5 GEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820761628 606470647 /nfs/dbraw/zinc/47/06/47/606470647.db2.gz YVQIGNFOCVSBMS-CXAGYDPISA-N 1 0 394.439 2.492 20 5 GEBDRO CC(C)[N@H+]1C[C@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)[C@@H](C)C1 ZINC000820751710 606805603 /nfs/dbraw/zinc/80/56/03/606805603.db2.gz HQYYVGUUUWWKRB-ZBEGNZNMSA-N 1 0 382.428 2.464 20 5 GEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826293540 608488014 /nfs/dbraw/zinc/48/80/14/608488014.db2.gz SRJNQGKJUQXREM-GFCCVEGCSA-N 1 0 381.396 2.373 20 5 GEBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000824584855 608493340 /nfs/dbraw/zinc/49/33/40/608493340.db2.gz IJYOJKGHZKSNOS-LBPRGKRZSA-N 1 0 381.396 2.454 20 5 GEBDRO COc1ccc(OCC[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c([N+](=O)[O-])c1 ZINC000826211510 608530874 /nfs/dbraw/zinc/53/08/74/608530874.db2.gz HWXLOPQMFFXOGI-UHFFFAOYSA-N 1 0 396.407 2.441 20 5 GEBDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000447024679 649994799 /nfs/dbraw/zinc/99/47/99/649994799.db2.gz AIXYNNOXQYFWCR-VHSXEESVSA-N 1 0 392.275 2.118 20 5 GEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000449187089 650033855 /nfs/dbraw/zinc/03/38/55/650033855.db2.gz KFFKQRKTDLKTQG-GXTWGEPZSA-N 1 0 384.479 2.012 20 5 GEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000449209722 650034260 /nfs/dbraw/zinc/03/42/60/650034260.db2.gz PYOGZZBOPNEYFU-ZDUSSCGKSA-N 1 0 383.495 2.498 20 5 GEBDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449207753 650034270 /nfs/dbraw/zinc/03/42/70/650034270.db2.gz QDPWNQYPNHHIHR-LBPRGKRZSA-N 1 0 383.495 2.464 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](c3cccc(Br)c3)C2)c1 ZINC000451576094 650127024 /nfs/dbraw/zinc/12/70/24/650127024.db2.gz ZKPIOSMFKRMMGP-BBRMVZONSA-N 1 0 395.257 2.404 20 5 GEBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000453272118 650207632 /nfs/dbraw/zinc/20/76/32/650207632.db2.gz ADXSMNLXLMEISA-STQMWFEESA-N 1 0 375.516 2.383 20 5 GEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]CCc1cccc(Cl)c1 ZINC000459406417 650424071 /nfs/dbraw/zinc/42/40/71/650424071.db2.gz DBNZPMXFUFNRSI-UHFFFAOYSA-N 1 0 383.857 2.359 20 5 GEBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC000481393931 650645846 /nfs/dbraw/zinc/64/58/46/650645846.db2.gz RXNQGRYMOMVWRJ-AWEZNQCLSA-N 1 0 393.918 2.272 20 5 GEBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000488419851 650745902 /nfs/dbraw/zinc/74/59/02/650745902.db2.gz KRNKHGTVEHJFPF-DOMZBBRYSA-N 1 0 387.527 2.383 20 5 GEBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1[NH+](C)C ZINC000489245080 650756414 /nfs/dbraw/zinc/75/64/14/650756414.db2.gz FDBLOCQIQFAJAB-AAEUAGOBSA-N 1 0 375.397 2.314 20 5 GEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000536694410 650805486 /nfs/dbraw/zinc/80/54/86/650805486.db2.gz QDEVOGSYRHVFHB-GHMZBOCLSA-N 1 0 385.262 2.320 20 5 GEBDRO O=C(C[NH2+][C@H]1CCO[C@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000494438082 650808447 /nfs/dbraw/zinc/80/84/47/650808447.db2.gz QDAPRJNVWOHAMX-ZFWWWQNUSA-N 1 0 384.230 2.453 20 5 GEBDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000102906910 643145200 /nfs/dbraw/zinc/14/52/00/643145200.db2.gz QPIBTGJZPRCFFC-UHFFFAOYSA-N 1 0 392.275 2.074 20 5 GEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000540155400 650858116 /nfs/dbraw/zinc/85/81/16/650858116.db2.gz MAEBNDWQRKFLAS-GXTWGEPZSA-N 1 0 384.479 2.450 20 5 GEBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000128133789 643793015 /nfs/dbraw/zinc/79/30/15/643793015.db2.gz IZNXOHZOGPVYCV-VXGBXAGGSA-N 1 0 389.193 2.199 20 5 GEBDRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000150868876 643926908 /nfs/dbraw/zinc/92/69/08/643926908.db2.gz IPFCDCKDOPJIEP-GFCCVEGCSA-N 1 0 393.893 2.192 20 5 GEBDRO O=[N+]([O-])c1cc(S(=O)(=O)NCCC[NH+]2CCCC2)ccc1Br ZINC000178283530 644432267 /nfs/dbraw/zinc/43/22/67/644432267.db2.gz DRIMSXKORNYKJK-UHFFFAOYSA-N 1 0 392.275 2.122 20 5 GEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC(OCCC[NH3+])CC2)c1 ZINC000193304049 645264618 /nfs/dbraw/zinc/26/46/18/645264618.db2.gz RPJBWJBMZNZXBO-UHFFFAOYSA-N 1 0 391.877 2.075 20 5 GEBDRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000236653550 645416815 /nfs/dbraw/zinc/41/68/15/645416815.db2.gz CNZXPQSKFCVKAU-LLVKDONJSA-N 1 0 394.291 2.351 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[NH2+]Cc2cccnc2)c(Cl)c1 ZINC000237814139 645443390 /nfs/dbraw/zinc/44/33/90/645443390.db2.gz KVIABMWRCZRVAD-UHFFFAOYSA-N 1 0 384.845 2.101 20 5 GEBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000237904997 645448107 /nfs/dbraw/zinc/44/81/07/645448107.db2.gz MGWPSNGGBZBUQL-CABZTGNLSA-N 1 0 381.376 2.409 20 5 GEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261851502 645605838 /nfs/dbraw/zinc/60/58/38/645605838.db2.gz QMBRXSWVZWGNLU-BETUJISGSA-N 1 0 382.258 2.358 20 5 GEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000272186557 646261418 /nfs/dbraw/zinc/26/14/18/646261418.db2.gz DTIOTSPDPGMEED-RKDXNWHRSA-N 1 0 389.193 2.009 20 5 GEBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000281087158 646744658 /nfs/dbraw/zinc/74/46/58/646744658.db2.gz COQLEIBSFFDOKS-JTQLQIEISA-N 1 0 379.841 2.350 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C2CCC(C(F)F)CC2)cc1 ZINC000281978370 646807438 /nfs/dbraw/zinc/80/74/38/646807438.db2.gz OKYNXDDJSIJZLD-UHFFFAOYSA-N 1 0 377.413 2.287 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000286052279 646865801 /nfs/dbraw/zinc/86/58/01/646865801.db2.gz RDRCRBHTUYZBIU-LLVKDONJSA-N 1 0 391.852 2.494 20 5 GEBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])C2)C1 ZINC000292459095 647190991 /nfs/dbraw/zinc/19/09/91/647190991.db2.gz ZSOGNIFTXGEJEW-OAHLLOKOSA-N 1 0 375.397 2.123 20 5 GEBDRO CN(CC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000296649707 647253297 /nfs/dbraw/zinc/25/32/97/647253297.db2.gz FDNWMXYJHOZWRJ-UHFFFAOYSA-N 1 0 392.197 2.225 20 5 GEBDRO CS[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000330528115 647342001 /nfs/dbraw/zinc/34/20/01/647342001.db2.gz FCUGNVMHMLUCJM-CHWSQXEVSA-N 1 0 388.287 2.475 20 5 GEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(F)cc2I)c1 ZINC000417932163 648266619 /nfs/dbraw/zinc/26/66/19/648266619.db2.gz LXNKNKVMIFELTD-UHFFFAOYSA-N 1 0 390.156 2.325 20 5 GEBDRO C[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C[NH3+] ZINC000420378570 648415154 /nfs/dbraw/zinc/41/51/54/648415154.db2.gz MEEUABGATVDNGQ-GHMZBOCLSA-N 1 0 385.262 2.213 20 5 GEBDRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000420465865 648418770 /nfs/dbraw/zinc/41/87/70/648418770.db2.gz QOQMKIKMZVMLAR-LBPRGKRZSA-N 1 0 392.275 2.024 20 5 GEBDRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000420771580 648454904 /nfs/dbraw/zinc/45/49/04/648454904.db2.gz SFHFGCLSINOORB-NSHDSACASA-N 1 0 381.376 2.328 20 5 GEBDRO O=C(CN1CCC2(CC[NH2+]2)CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000422638740 648564152 /nfs/dbraw/zinc/56/41/52/648564152.db2.gz RHPGYTNBHXLNNQ-UHFFFAOYSA-N 1 0 383.246 2.124 20 5 GEBDRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000440826535 648815112 /nfs/dbraw/zinc/81/51/12/648815112.db2.gz NIODMSGMUFVFMV-JTQLQIEISA-N 1 0 392.275 2.107 20 5 GEBDRO COCC[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000550221561 651107271 /nfs/dbraw/zinc/10/72/71/651107271.db2.gz CTZAPBQZXQUHSA-UHFFFAOYSA-N 1 0 388.262 2.364 20 5 GEBDRO CCC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000566206580 651602384 /nfs/dbraw/zinc/60/23/84/651602384.db2.gz QZDALTHCHAYIBP-UHFFFAOYSA-N 1 0 391.209 2.237 20 5 GEBDRO C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000567851601 651638024 /nfs/dbraw/zinc/63/80/24/651638024.db2.gz REHYYMAHSARIPQ-UWVGGRQHSA-N 1 0 381.376 2.280 20 5 GEBDRO C[NH+](C)C[C@H]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000732803949 651675326 /nfs/dbraw/zinc/67/53/26/651675326.db2.gz QTUASMBNKHYYOF-LLVKDONJSA-N 1 0 377.413 2.369 20 5 GEBDRO O=[N+]([O-])c1cncc(Br)c1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000572015077 651867596 /nfs/dbraw/zinc/86/75/96/651867596.db2.gz JWGRWXZZTMXIJS-GFCCVEGCSA-N 1 0 385.262 2.443 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)NCCC[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000574156646 652004690 /nfs/dbraw/zinc/00/46/90/652004690.db2.gz DQQHOVUNEAGBGL-UHFFFAOYSA-N 1 0 394.291 2.332 20 5 GEBDRO CC(C)[N@@H+]1CC[C@@H](CNc2c(I)cncc2[N+](=O)[O-])C1 ZINC000574668094 652035425 /nfs/dbraw/zinc/03/54/25/652035425.db2.gz XSKRZOJRYBMYCL-JTQLQIEISA-N 1 0 390.225 2.159 20 5 GEBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000574987949 652056514 /nfs/dbraw/zinc/05/65/14/652056514.db2.gz PBLVBOLSYLEIOZ-OAHLLOKOSA-N 1 0 397.273 2.482 20 5 GEBDRO C[C@](O)(CO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000619464307 652059787 /nfs/dbraw/zinc/05/97/87/652059787.db2.gz PRWISBXSFYEOAB-OAHLLOKOSA-N 1 0 385.214 2.450 20 5 GEBDRO CN(C)[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000578549830 652277360 /nfs/dbraw/zinc/27/73/60/652277360.db2.gz BMUOEGFDVBZSSC-HNNXBMFYSA-N 1 0 383.495 2.323 20 5 GEBDRO CN(C)[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000578549831 652277566 /nfs/dbraw/zinc/27/75/66/652277566.db2.gz BMUOEGFDVBZSSC-OAHLLOKOSA-N 1 0 383.495 2.323 20 5 GEBDRO C[NH2+][C@H](C)Cc1noc(-c2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000582725181 652460610 /nfs/dbraw/zinc/46/06/10/652460610.db2.gz PAVOOGQEHKHGDN-SSDOTTSWSA-N 1 0 388.165 2.400 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000583625979 652491756 /nfs/dbraw/zinc/49/17/56/652491756.db2.gz ALEMJDGVTRNKLQ-BBRMVZONSA-N 1 0 386.495 2.013 20 5 GEBDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000757743997 652521645 /nfs/dbraw/zinc/52/16/45/652521645.db2.gz CDNKIXNROFFHMI-MRVPVSSYSA-N 1 0 398.254 2.115 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC2(CCO)CC2)c1 ZINC000589319659 652565613 /nfs/dbraw/zinc/56/56/13/652565613.db2.gz DAMNBNBXCPCRFS-UHFFFAOYSA-N 1 0 376.194 2.452 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC2CC[NH2+]CC2)c(Br)c1 ZINC000593733667 652633984 /nfs/dbraw/zinc/63/39/84/652633984.db2.gz YKMMYNNRSBQYHA-UHFFFAOYSA-N 1 0 392.275 2.025 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000594817536 652687094 /nfs/dbraw/zinc/68/70/94/652687094.db2.gz SISCTTUBNMWMDZ-SECBINFHSA-N 1 0 394.291 2.284 20 5 GEBDRO C[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000595118743 652705758 /nfs/dbraw/zinc/70/57/58/652705758.db2.gz TXWINZFPUYUFFQ-KOLCDFICSA-N 1 0 381.376 2.362 20 5 GEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000598454995 652816441 /nfs/dbraw/zinc/81/64/41/652816441.db2.gz YMUSURYIFOMFGC-ZDUSSCGKSA-N 1 0 398.257 2.029 20 5 GEBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000765195904 652830353 /nfs/dbraw/zinc/83/03/53/652830353.db2.gz URYPKEKECGIHDJ-UWVGGRQHSA-N 1 0 392.275 2.118 20 5 GEBDRO CC1([NH+]2CCOCC2)CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000599160219 652851624 /nfs/dbraw/zinc/85/16/24/652851624.db2.gz KGMSEONYPLAFRL-UHFFFAOYSA-N 1 0 385.262 2.443 20 5 GEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCN(CCCF)CC1 ZINC000600076478 652901962 /nfs/dbraw/zinc/90/19/62/652901962.db2.gz LTPFJCVOZDWAML-UHFFFAOYSA-N 1 0 388.237 2.404 20 5 GEBDRO CS[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C[C@@H]1[NH+](C)C ZINC000767314616 652919414 /nfs/dbraw/zinc/91/94/14/652919414.db2.gz HSVZQOJQVRFOHB-QWHCGFSZSA-N 1 0 393.918 2.223 20 5 GEBDRO Cc1sc(S(=O)(=O)N2CCCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000601520378 653105950 /nfs/dbraw/zinc/10/59/50/653105950.db2.gz KMELTPUPIPAPEL-UHFFFAOYSA-N 1 0 382.467 2.261 20 5 GEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(I)s2)c1 ZINC000602567494 653191084 /nfs/dbraw/zinc/19/10/84/653191084.db2.gz DVWFWHJRSOTSMQ-UHFFFAOYSA-N 1 0 378.195 2.247 20 5 GEBDRO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000809808688 653296696 /nfs/dbraw/zinc/29/66/96/653296696.db2.gz DQAPEXVLSDZKBH-NEPJUHHUSA-N 1 0 377.825 2.292 20 5 GEBDRO C[C@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C[NH+]1CCCC1 ZINC000809809293 653297213 /nfs/dbraw/zinc/29/72/13/653297213.db2.gz KPAMXBUMZLFTGC-SNVBAGLBSA-N 1 0 379.841 2.398 20 5 GEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809817533 653300118 /nfs/dbraw/zinc/30/01/18/653300118.db2.gz DUFYNYJOKMFYNO-SNVBAGLBSA-N 1 0 379.841 2.350 20 5 GEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809822054 653301866 /nfs/dbraw/zinc/30/18/66/653301866.db2.gz WBSKZJZJDAHGBM-BXKDBHETSA-N 1 0 379.841 2.348 20 5 GEBDRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000857881117 653341862 /nfs/dbraw/zinc/34/18/62/653341862.db2.gz QMBJEOYHLXHVFM-UMVBOHGHSA-N 1 0 382.258 2.324 20 5 GEBDRO NC(=O)C[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000776934741 653381906 /nfs/dbraw/zinc/38/19/06/653381906.db2.gz ITLOXXLNADUXJN-CYBMUJFWSA-N 1 0 386.246 2.118 20 5 GEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000779904511 653615807 /nfs/dbraw/zinc/61/58/07/653615807.db2.gz FQIJIFWPQROLRY-AWEZNQCLSA-N 1 0 393.918 2.272 20 5 GEBDRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000877725720 653618014 /nfs/dbraw/zinc/61/80/14/653618014.db2.gz LJKJOZZHLNJREG-GMSGAONNSA-N 1 0 379.232 2.087 20 5 GEBDRO CC[NH+]1CCC(CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000814998826 653642581 /nfs/dbraw/zinc/64/25/81/653642581.db2.gz ZOHAYIOZIQJALS-UHFFFAOYSA-N 1 0 379.841 2.398 20 5 GEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815018634 653644192 /nfs/dbraw/zinc/64/41/92/653644192.db2.gz WDNLOPINAYLMCW-CABZTGNLSA-N 1 0 379.841 2.348 20 5 GEBDRO CC[C@H]1C[N@H+](C)CCN1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000840091084 653674019 /nfs/dbraw/zinc/67/40/19/653674019.db2.gz ISUGSRNFAJDAOJ-LBPRGKRZSA-N 1 0 397.273 2.297 20 5 GEBDRO [NH3+]Cc1cn([C@H]2CCCN(Cc3c(Br)cccc3[N+](=O)[O-])C2)nn1 ZINC000841099051 653706244 /nfs/dbraw/zinc/70/62/44/653706244.db2.gz CFIRZAYOZYWKKQ-LBPRGKRZSA-N 1 0 395.261 2.245 20 5 GEBDRO Cn1cc([C@@H]2CN(Cc3ccc(Br)c([N+](=O)[O-])c3)C[C@H]2[NH3+])cn1 ZINC000818340044 653730119 /nfs/dbraw/zinc/73/01/19/653730119.db2.gz HRGJDAGALIAPMX-GXTWGEPZSA-N 1 0 380.246 2.018 20 5 GEBDRO C[C@@](O)(C[NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1F ZINC000819176644 653745352 /nfs/dbraw/zinc/74/53/52/653745352.db2.gz LTXCNSOYVBWFFN-CQSZACIVSA-N 1 0 387.209 2.190 20 5 GEBDRO CS[C@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000790903746 653800238 /nfs/dbraw/zinc/80/02/38/653800238.db2.gz AFLQLBTXGYWVSD-KBPBESRZSA-N 1 0 375.853 2.434 20 5 GEBDRO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000866803832 653828994 /nfs/dbraw/zinc/82/89/94/653828994.db2.gz KUQDAVGTODTONB-UHFFFAOYSA-N 1 0 392.275 2.120 20 5 GEBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000884353925 653874157 /nfs/dbraw/zinc/87/41/57/653874157.db2.gz IUBKRFYTHGQQKB-QWRGUYRKSA-N 1 0 389.193 2.055 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC2CC[NH2+]CC2)cc1Br ZINC000846233829 653892484 /nfs/dbraw/zinc/89/24/84/653892484.db2.gz AEGYMYDVDIFGTE-UHFFFAOYSA-N 1 0 392.275 2.025 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1 ZINC000897814941 653938881 /nfs/dbraw/zinc/93/88/81/653938881.db2.gz NTWNLAKFKCMXMW-BJJPWKGXSA-N 1 0 386.189 2.465 20 5 GEBDRO CS[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@H]1[NH+](C)C ZINC000795897296 653975880 /nfs/dbraw/zinc/97/58/80/653975880.db2.gz SYSKZFSQMPYXOF-GHMZBOCLSA-N 1 0 397.881 2.053 20 5 GEBDRO C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000900810940 654082183 /nfs/dbraw/zinc/08/21/83/654082183.db2.gz IVBYFZVIOZQWLF-RNCFNFMXSA-N 1 0 375.256 2.266 20 5 GEBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cc([N+](=O)[O-])ncc1Br ZINC000830610294 654129565 /nfs/dbraw/zinc/12/95/65/654129565.db2.gz YEOFEJDINCLOST-UHFFFAOYSA-N 1 0 383.246 2.357 20 5 GEBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000851820518 654183195 /nfs/dbraw/zinc/18/31/95/654183195.db2.gz AWPPMGGHCPAAGR-SNVBAGLBSA-N 1 0 392.275 2.120 20 5 GEBDRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000903577755 654260121 /nfs/dbraw/zinc/26/01/21/654260121.db2.gz USUCLKVCPJVBBX-NSHDSACASA-N 1 0 392.275 2.120 20 5 GEBDRO CN(CC(=O)NCC1=CC[N@H+](C)CC1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000803033721 654261210 /nfs/dbraw/zinc/26/12/10/654261210.db2.gz KYYDKFJUSSKBPE-UHFFFAOYSA-N 1 0 397.273 2.172 20 5 GEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000832764250 654293893 /nfs/dbraw/zinc/29/38/93/654293893.db2.gz KJNWOHIBLXZKFS-SNVBAGLBSA-N 1 0 379.841 2.491 20 5 GEBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@H]1CC12CC[NH2+]CC2 ZINC000892266739 654337853 /nfs/dbraw/zinc/33/78/53/654337853.db2.gz MACGZFUHOQIENO-ZDUSSCGKSA-N 1 0 383.246 2.299 20 5 GEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2(n3cc(Br)cn3)CC2)c1 ZINC000905587647 654368178 /nfs/dbraw/zinc/36/81/78/654368178.db2.gz QOJHARMBZOTAKS-AWEZNQCLSA-N 1 0 381.230 2.366 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CC(Cc3cccc(Br)c3)C2)c1 ZINC000905977168 654396155 /nfs/dbraw/zinc/39/61/55/654396155.db2.gz GURQMDTYORRQOM-INIZCTEOSA-N 1 0 395.257 2.089 20 5 GEBDRO Cc1c(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000873074460 654413216 /nfs/dbraw/zinc/41/32/16/654413216.db2.gz MVTZDOHUAREOAA-UHFFFAOYSA-N 1 0 381.376 2.307 20 5 GEBDRO CCN(C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000855361558 654415160 /nfs/dbraw/zinc/41/51/60/654415160.db2.gz WMERTTCYGXJDDG-CYBMUJFWSA-N 1 0 399.289 2.346 20 5 GEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000856073723 654460181 /nfs/dbraw/zinc/46/01/81/654460181.db2.gz WCCWGFNAFZVWNL-CYBMUJFWSA-N 1 0 399.289 2.394 20 5 GEBDRO C[N@@H+]1CC[C@H]1CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000925422376 654544366 /nfs/dbraw/zinc/54/43/66/654544366.db2.gz VAKZBCKVVSCJCE-JTQLQIEISA-N 1 0 383.246 2.129 20 5 GEBDRO C[NH+]1CCC2(CCN2S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000907855907 654583989 /nfs/dbraw/zinc/58/39/89/654583989.db2.gz PASUKOVQZMNFDA-UHFFFAOYSA-N 1 0 377.825 2.246 20 5 GEBDRO O=[N+]([O-])c1ccc(Br)c(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000931066673 654727971 /nfs/dbraw/zinc/72/79/71/654727971.db2.gz KJFIEBWPDMPLON-OAHLLOKOSA-N 1 0 384.274 2.388 20 5 GEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000933436619 654812974 /nfs/dbraw/zinc/81/29/74/654812974.db2.gz USEWWHXFMIPGOR-CABZTGNLSA-N 1 0 385.262 2.352 20 5 GEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC000934953574 654868087 /nfs/dbraw/zinc/86/80/87/654868087.db2.gz ZDJBQEUPYXFDJL-GXFFZTMASA-N 1 0 397.273 2.496 20 5 GEBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])C2 ZINC001164815853 720121422 /nfs/dbraw/zinc/12/14/22/720121422.db2.gz WKZAUXUOFDSLNH-KBXCAEBGSA-N 1 0 396.875 2.066 20 5 GEBDRO Cc1ncc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164833772 720534967 /nfs/dbraw/zinc/53/49/67/720534967.db2.gz BOBUVTKLMNOLHM-GVDBMIGSSA-N 1 0 385.472 2.268 20 5 GEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744806 720811465 /nfs/dbraw/zinc/81/14/65/720811465.db2.gz IPSXVOBSPNVEPR-NZSAHSFTSA-N 1 0 397.483 2.269 20 5 GEBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)cc(C)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164852561 720846945 /nfs/dbraw/zinc/84/69/45/720846945.db2.gz KVBWMTCJTRHAJX-ZIAGYGMSSA-N 1 0 384.864 2.125 20 5 GEBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)cc(C)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164852558 720847170 /nfs/dbraw/zinc/84/71/70/720847170.db2.gz KVBWMTCJTRHAJX-KBPBESRZSA-N 1 0 384.864 2.125 20 5 GEBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nccc4ccc([N+](=O)[O-])cc43)CC[C@@H]2C1 ZINC001164854313 720870736 /nfs/dbraw/zinc/87/07/36/720870736.db2.gz JGIYBQLSEKNEFW-VQIMIIECSA-N 1 0 386.452 2.317 20 5 GEBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164956154 722019525 /nfs/dbraw/zinc/01/95/25/722019525.db2.gz XHMIFOPKOMKHOV-UHFFFAOYSA-N 1 0 383.452 2.424 20 5 GEBDRO COc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164976652 722111216 /nfs/dbraw/zinc/11/12/16/722111216.db2.gz LZWLUIBWPATPRZ-VQIMIIECSA-N 1 0 399.451 2.121 20 5 GEBDRO C[NH+](C)CCOCc1ncn2c1CN(c1nccc(Cl)c1[N+](=O)[O-])CCC2 ZINC001165000517 722250850 /nfs/dbraw/zinc/25/08/50/722250850.db2.gz QTYLPVCUEKQPDC-UHFFFAOYSA-N 1 0 394.863 2.328 20 5 GEBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000157574470 531747886 /nfs/dbraw/zinc/74/78/86/531747886.db2.gz ILBTWLYFGKCTOK-UFBFGSQYSA-N 1 0 389.193 2.057 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC000055986561 531801170 /nfs/dbraw/zinc/80/11/70/531801170.db2.gz WDUPGDDACYSSAL-UHFFFAOYSA-N 1 0 382.829 2.154 20 5 GEBDRO CC[NH+]1CCN(CCNC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 ZINC000163848005 531865377 /nfs/dbraw/zinc/86/53/77/531865377.db2.gz FBFHWXIEIYWLFG-UHFFFAOYSA-N 1 0 399.289 2.033 20 5 GEBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000124850018 532131190 /nfs/dbraw/zinc/13/11/90/532131190.db2.gz DGUDRZNYYLQIEY-JTQLQIEISA-N 1 0 392.275 2.038 20 5 GEBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177278289 532167201 /nfs/dbraw/zinc/16/72/01/532167201.db2.gz SKFIVSCJACYXBS-UHFFFAOYSA-N 1 0 399.289 2.067 20 5 GEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)nc1 ZINC000180942413 532286509 /nfs/dbraw/zinc/28/65/09/532286509.db2.gz JEHGGCMHXNSBAB-LLVKDONJSA-N 1 0 384.845 2.272 20 5 GEBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)CC[NH2+]1 ZINC000278327959 532375292 /nfs/dbraw/zinc/37/52/92/532375292.db2.gz VVFLJQMVVWAJAE-RKDXNWHRSA-N 1 0 389.193 2.070 20 5 GEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000590011947 532366434 /nfs/dbraw/zinc/36/64/34/532366434.db2.gz NLKKLRNJLROPDX-FZMZJTMJSA-N 1 0 387.221 2.335 20 5 GEBDRO COCCOC[C@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000516269397 532385208 /nfs/dbraw/zinc/38/52/08/532385208.db2.gz WORLBUQERGMILT-JTQLQIEISA-N 1 0 394.209 2.341 20 5 GEBDRO Cc1c(NC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000591304622 532405974 /nfs/dbraw/zinc/40/59/74/532405974.db2.gz LMOSZAQPGCSRMR-RNCFNFMXSA-N 1 0 387.234 2.246 20 5 GEBDRO O=[N+]([O-])c1cc(Br)ccc1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000591843212 532426476 /nfs/dbraw/zinc/42/64/76/532426476.db2.gz IMHSAQXSPXIZHB-HOCLYGCPSA-N 1 0 384.274 2.388 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427934290 532437975 /nfs/dbraw/zinc/43/79/75/532437975.db2.gz SXARTWPEHIHLLU-LDYMZIIASA-N 1 0 380.253 2.274 20 5 GEBDRO [NH3+]C1CCC(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000592292500 532446627 /nfs/dbraw/zinc/44/66/27/532446627.db2.gz HYEIXOGHCBZZNQ-UHFFFAOYSA-N 1 0 389.193 2.199 20 5 GEBDRO CC[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592382862 532453198 /nfs/dbraw/zinc/45/31/98/532453198.db2.gz SUNGHKBHFJEQNT-GXSJLCMTSA-N 1 0 381.376 2.362 20 5 GEBDRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000520557946 532495737 /nfs/dbraw/zinc/49/57/37/532495737.db2.gz CEUMDETZQMHIKN-UHFFFAOYSA-N 1 0 393.893 2.227 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000237633794 532510083 /nfs/dbraw/zinc/51/00/83/532510083.db2.gz RLEFILISHJCEHO-WCBMZHEXSA-N 1 0 392.275 2.166 20 5 GEBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000236834067 532499219 /nfs/dbraw/zinc/49/92/19/532499219.db2.gz VRUZYDFEJQACSN-CYBMUJFWSA-N 1 0 391.209 2.303 20 5 GEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)c1 ZINC000564853459 532536255 /nfs/dbraw/zinc/53/62/55/532536255.db2.gz FJHRAPCGAYGJKB-LBPRGKRZSA-N 1 0 375.212 2.128 20 5 GEBDRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000595382122 532562325 /nfs/dbraw/zinc/56/23/25/532562325.db2.gz QASNGTZFQMXQTC-UHFFFAOYSA-N 1 0 377.438 2.141 20 5 GEBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000566100644 532592542 /nfs/dbraw/zinc/59/25/42/532592542.db2.gz AQPKUXDXJOJSIU-DTWKUNHWSA-N 1 0 389.193 2.009 20 5 GEBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000597693117 532624034 /nfs/dbraw/zinc/62/40/34/532624034.db2.gz BFBQLIFHXVAPMX-CABCVRRESA-N 1 0 398.257 2.293 20 5 GEBDRO CC(C)c1ncc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000531818117 532636598 /nfs/dbraw/zinc/63/65/98/532636598.db2.gz ALLMMZVFWYWMTD-UHFFFAOYSA-N 1 0 384.483 2.243 20 5 GEBDRO C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2I)CC1 ZINC000263732088 532637470 /nfs/dbraw/zinc/63/74/70/532637470.db2.gz YPHGIORIPBGFNF-UHFFFAOYSA-N 1 0 389.193 2.023 20 5 GEBDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000567868946 532668211 /nfs/dbraw/zinc/66/82/11/532668211.db2.gz LDIJULGSIIBTQZ-SNVBAGLBSA-N 1 0 381.376 2.234 20 5 GEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000567366779 532651799 /nfs/dbraw/zinc/65/17/99/532651799.db2.gz JXBWQRHCGPRPJP-SMDDNHRTSA-N 1 0 382.463 2.068 20 5 GEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000567366776 532652411 /nfs/dbraw/zinc/65/24/11/532652411.db2.gz JXBWQRHCGPRPJP-BXUZGUMPSA-N 1 0 382.463 2.068 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)NCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000439245334 532685794 /nfs/dbraw/zinc/68/57/94/532685794.db2.gz JWGXIYWZQMSBCL-UHFFFAOYSA-N 1 0 392.275 2.038 20 5 GEBDRO C[C@](CO)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Br)cc1 ZINC000285374243 532676622 /nfs/dbraw/zinc/67/66/22/532676622.db2.gz GFCJNJMJHHMUSV-MRXNPFEDSA-N 1 0 396.241 2.016 20 5 GEBDRO C[C@@H]1CCCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000440415807 532712980 /nfs/dbraw/zinc/71/29/80/532712980.db2.gz SACBAXZSGHQGNC-RNCFNFMXSA-N 1 0 392.275 2.105 20 5 GEBDRO C[C@H]1CCCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000440415808 532713250 /nfs/dbraw/zinc/71/32/50/532713250.db2.gz SACBAXZSGHQGNC-TVQRCGJNSA-N 1 0 392.275 2.105 20 5 GEBDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H]1C[NH3+] ZINC000440424493 532713675 /nfs/dbraw/zinc/71/36/75/532713675.db2.gz FOEAMLLKSIROOT-BXKDBHETSA-N 1 0 392.275 2.105 20 5 GEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301253998 532745567 /nfs/dbraw/zinc/74/55/67/532745567.db2.gz CZMTUVWCUAHRCU-LLVKDONJSA-N 1 0 377.413 2.369 20 5 GEBDRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000501121116 532736520 /nfs/dbraw/zinc/73/65/20/532736520.db2.gz TZKVBFYRZXXWEP-NSHDSACASA-N 1 0 387.234 2.200 20 5 GEBDRO O=[N+]([O-])c1cnc(N2CCC(C[NH+]3CCOCC3)CC2)c(Br)c1 ZINC000267198438 532738436 /nfs/dbraw/zinc/73/84/36/532738436.db2.gz FIXUNSQTYBBHMQ-UHFFFAOYSA-N 1 0 385.262 2.301 20 5 GEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CS(=O)(=O)CCO3)s2)cc1 ZINC000507822269 532760434 /nfs/dbraw/zinc/76/04/34/532760434.db2.gz HLRNOTPAEXZOBK-AWEZNQCLSA-N 1 0 382.463 2.227 20 5 GEBDRO C[C@@H]1C[N@@H+](C2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)CCO1 ZINC000301521038 532753527 /nfs/dbraw/zinc/75/35/27/532753527.db2.gz GXGNAQVXFZCRCN-LLVKDONJSA-N 1 0 385.262 2.442 20 5 GEBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000331133734 532833658 /nfs/dbraw/zinc/83/36/58/532833658.db2.gz BWXJFUILWKSBPA-LLVKDONJSA-N 1 0 392.275 2.120 20 5 GEBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCC[N@H+]1CC=CCC1 ZINC000225461940 206048701 /nfs/dbraw/zinc/04/87/01/206048701.db2.gz DFTVMMXJHVPMJT-UHFFFAOYSA-N 1 0 394.497 2.443 20 5 GEBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000290127903 532873733 /nfs/dbraw/zinc/87/37/33/532873733.db2.gz ZGXDDADBSKUWHM-VIFPVBQESA-N 1 0 391.209 2.013 20 5 GEBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416386528 532874435 /nfs/dbraw/zinc/87/44/35/532874435.db2.gz ICQOYGGAGSJCBS-LLVKDONJSA-N 1 0 381.376 2.328 20 5 GEBDRO CN1CC[NH+](C[C@H]2CCCN(c3ncc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000361812099 532894465 /nfs/dbraw/zinc/89/44/65/532894465.db2.gz JHNMJVDDBWLKSL-CYBMUJFWSA-N 1 0 398.305 2.216 20 5 GEBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NC(C)(C)CC[NH3+] ZINC000424049787 532895277 /nfs/dbraw/zinc/89/52/77/532895277.db2.gz ZABMIFBBCQIZOG-UHFFFAOYSA-N 1 0 391.209 2.365 20 5 GEBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736135480 598581658 /nfs/dbraw/zinc/58/16/58/598581658.db2.gz YLWDSKFYRYAAHZ-SJCJKPOMSA-N 1 0 393.407 2.231 20 5 GEBDRO Cc1cc[nH+]c(NC[C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])C2)c1 ZINC000737438051 598672355 /nfs/dbraw/zinc/67/23/55/598672355.db2.gz XYJQJWUOWFYZTI-ZDUSSCGKSA-N 1 0 380.412 2.417 20 5 GEBDRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000736198467 599309389 /nfs/dbraw/zinc/30/93/89/599309389.db2.gz JEDKBAJGMLKFRI-CYBMUJFWSA-N 1 0 380.412 2.053 20 5 GEBDRO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000820410011 599386251 /nfs/dbraw/zinc/38/62/51/599386251.db2.gz BXRQFZNEKFVHBA-RYUDHWBXSA-N 1 0 381.396 2.453 20 5 GEBDRO C[C@H]([NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000820411312 599693944 /nfs/dbraw/zinc/69/39/44/599693944.db2.gz IPSFUJSNFAEEFN-ZDUSSCGKSA-N 1 0 394.439 2.490 20 5 GEBDRO Cc1ccccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC000826307649 607450620 /nfs/dbraw/zinc/45/06/20/607450620.db2.gz QWTDBYUXEXPSST-UHFFFAOYSA-N 1 0 379.424 2.406 20 5 GEBDRO C[NH+](C)CCN(CCc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821586344 606224460 /nfs/dbraw/zinc/22/44/60/606224460.db2.gz UGDQFYUMEOISSF-UHFFFAOYSA-N 1 0 381.440 2.386 20 5 GEBDRO COc1cccc([C@H](CNc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000821864121 606644936 /nfs/dbraw/zinc/64/49/36/606644936.db2.gz UDKMJSUQJFXBSY-KRWDZBQOSA-N 1 0 383.412 2.498 20 5 GEBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000823621165 606700057 /nfs/dbraw/zinc/70/00/57/606700057.db2.gz XPIBHWHHEYQNSC-UHFFFAOYSA-N 1 0 398.402 2.386 20 5 GEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000820225148 606996379 /nfs/dbraw/zinc/99/63/79/606996379.db2.gz BVSFXRJPYYMODM-GFCCVEGCSA-N 1 0 381.396 2.282 20 5 GEBDRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000821586474 607114720 /nfs/dbraw/zinc/11/47/20/607114720.db2.gz ZJNULCLIMSVVQX-UHFFFAOYSA-N 1 0 385.403 2.482 20 5 GEBDRO C[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000820280928 607166709 /nfs/dbraw/zinc/16/67/09/607166709.db2.gz PNTULIMLZXPEJR-JTQLQIEISA-N 1 0 386.441 2.090 20 5 GEBDRO Cc1cccc(NC[C@H]2CCN(c3ccc([N+](=O)[O-])c(-c4nn[nH]n4)c3)C2)[nH+]1 ZINC000826299541 607841457 /nfs/dbraw/zinc/84/14/57/607841457.db2.gz KBJSTPCADIYMJA-CYBMUJFWSA-N 1 0 380.412 2.417 20 5 GEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826293093 608464807 /nfs/dbraw/zinc/46/48/07/608464807.db2.gz AOXHTXMYCNNMEU-LBPRGKRZSA-N 1 0 381.396 2.373 20 5 GEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826304593 608529339 /nfs/dbraw/zinc/52/93/39/608529339.db2.gz QVSISOSPXLVYAG-UHFFFAOYSA-N 1 0 393.407 2.301 20 5 GEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CC)CNS(C)(=O)=O ZINC000453272116 650207501 /nfs/dbraw/zinc/20/75/01/650207501.db2.gz ADXSMNLXLMEISA-QWHCGFSZSA-N 1 0 375.516 2.383 20 5 GEBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000512860849 650555428 /nfs/dbraw/zinc/55/54/28/650555428.db2.gz KVVCQPPJKJKKEZ-IUODEOHRSA-N 1 0 375.878 2.446 20 5 GEBDRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000518185851 650602554 /nfs/dbraw/zinc/60/25/54/650602554.db2.gz STLJEMKTQSZIBU-LLVKDONJSA-N 1 0 392.275 2.249 20 5 GEBDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CS1 ZINC000488408894 650745923 /nfs/dbraw/zinc/74/59/23/650745923.db2.gz GBOPXRQKWQUSSL-IUODEOHRSA-N 1 0 387.527 2.383 20 5 GEBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000489854045 650764719 /nfs/dbraw/zinc/76/47/19/650764719.db2.gz ATCWONLKSOONGO-UHFFFAOYSA-N 1 0 394.291 2.368 20 5 GEBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1I)C1CC1 ZINC000059490860 642831429 /nfs/dbraw/zinc/83/14/29/642831429.db2.gz UCURCGNNUXGHJL-UHFFFAOYSA-N 1 0 389.193 2.023 20 5 GEBDRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000119772469 643571346 /nfs/dbraw/zinc/57/13/46/643571346.db2.gz PYPHYXUHTLRVCV-OCCSQVGLSA-N 1 0 391.515 2.072 20 5 GEBDRO CC(C)[NH+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000130441856 643839391 /nfs/dbraw/zinc/83/93/91/643839391.db2.gz UWRDHWFVCMXAGS-UHFFFAOYSA-N 1 0 385.262 2.322 20 5 GEBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)C[C@H](C)[NH2+]1 ZINC000154238902 644028037 /nfs/dbraw/zinc/02/80/37/644028037.db2.gz JHZLDVADPRUAFX-IUCAKERBSA-N 1 0 389.193 2.022 20 5 GEBDRO C[C@H](CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000170787982 644287059 /nfs/dbraw/zinc/28/70/59/644287059.db2.gz BLPKXXZJIBOTAJ-SECBINFHSA-N 1 0 392.275 2.118 20 5 GEBDRO CC[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C1CC1 ZINC000170873330 644294347 /nfs/dbraw/zinc/29/43/47/644294347.db2.gz JFBDLGFXVWZOKA-UHFFFAOYSA-N 1 0 392.275 2.120 20 5 GEBDRO CC[N@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000173098323 644351759 /nfs/dbraw/zinc/35/17/59/644351759.db2.gz TUXKJTMENNAUAI-UHFFFAOYSA-N 1 0 392.275 2.120 20 5 GEBDRO CC[NH+](CC)CCOCCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000543688886 650919890 /nfs/dbraw/zinc/91/98/90/650919890.db2.gz FHCWMAUIRDSSKO-UHFFFAOYSA-N 1 0 393.893 2.193 20 5 GEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000236655535 645416660 /nfs/dbraw/zinc/41/66/60/645416660.db2.gz ZKLZVNBPFNKACI-VIFPVBQESA-N 1 0 391.209 2.303 20 5 GEBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000236676746 645417528 /nfs/dbraw/zinc/41/75/28/645417528.db2.gz UOOFABDTWGAHNA-JTQLQIEISA-N 1 0 380.264 2.153 20 5 GEBDRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000237210802 645427369 /nfs/dbraw/zinc/42/73/69/645427369.db2.gz OSSSSHKWTJKJLS-JTQLQIEISA-N 1 0 381.376 2.234 20 5 GEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000271436381 646206332 /nfs/dbraw/zinc/20/63/32/646206332.db2.gz BPXGGYFXIHZGNK-KBPBESRZSA-N 1 0 387.527 2.337 20 5 GEBDRO COc1cc(C[NH2+][C@H](C)[C@@H](CO)SC)c([N+](=O)[O-])cc1OCC(F)F ZINC000272531090 646275807 /nfs/dbraw/zinc/27/58/07/646275807.db2.gz ZPCOYMZAXUOUIP-YMTOWFKASA-N 1 0 380.413 2.449 20 5 GEBDRO CS[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000330528117 647342030 /nfs/dbraw/zinc/34/20/30/647342030.db2.gz FCUGNVMHMLUCJM-QWHCGFSZSA-N 1 0 388.287 2.475 20 5 GEBDRO CS[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C[C@@H]1[NH+]1CCCC1 ZINC000332071298 647409995 /nfs/dbraw/zinc/40/99/95/647409995.db2.gz CIAPATSDTNQIDC-LSDHHAIUSA-N 1 0 385.511 2.104 20 5 GEBDRO C[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362660070 647570774 /nfs/dbraw/zinc/57/07/74/647570774.db2.gz UUHKFVYEHSVOQH-GXTWGEPZSA-N 1 0 398.305 2.215 20 5 GEBDRO O=C(NC[C@H]1CN2CCCC[C@H]2CO1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000362719709 647572008 /nfs/dbraw/zinc/57/20/08/647572008.db2.gz NMTPWKVBLNYEHY-STQMWFEESA-N 1 0 398.257 2.340 20 5 GEBDRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420450383 648417631 /nfs/dbraw/zinc/41/76/31/648417631.db2.gz AUIQPQGINWQMNT-GFCCVEGCSA-N 1 0 381.376 2.280 20 5 GEBDRO C[N@@H+]1CC[C@]2(CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Br)C2)C1 ZINC000429016749 648742782 /nfs/dbraw/zinc/74/27/82/648742782.db2.gz DHGIYYQVRVRWBC-INIZCTEOSA-N 1 0 397.273 2.323 20 5 GEBDRO C[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000608783472 651607589 /nfs/dbraw/zinc/60/75/89/651607589.db2.gz KKGVJPYXICXJAX-VIFPVBQESA-N 1 0 389.193 2.023 20 5 GEBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000610572493 651671422 /nfs/dbraw/zinc/67/14/22/651671422.db2.gz OTCWKACWCMLGNE-GFCCVEGCSA-N 1 0 386.246 2.198 20 5 GEBDRO Cn1ccc(CC[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000570205748 651752559 /nfs/dbraw/zinc/75/25/59/651752559.db2.gz NVKOPDKESWEUOX-UHFFFAOYSA-N 1 0 386.193 2.265 20 5 GEBDRO C[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000570812133 651793617 /nfs/dbraw/zinc/79/36/17/651793617.db2.gz JRUBQICOYPDSOI-JTQLQIEISA-N 1 0 381.376 2.376 20 5 GEBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000574322466 652016337 /nfs/dbraw/zinc/01/63/37/652016337.db2.gz SDLKMUDOZPKVJL-CABCVRRESA-N 1 0 398.257 2.326 20 5 GEBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000619254540 652049729 /nfs/dbraw/zinc/04/97/29/652049729.db2.gz MHBDAJKYTOJMNI-MRXNPFEDSA-N 1 0 387.889 2.255 20 5 GEBDRO O=C(CC[NH2+]CCn1cc([N+](=O)[O-])cn1)Nc1cccc(Br)c1 ZINC000575040465 652060341 /nfs/dbraw/zinc/06/03/41/652060341.db2.gz YWYWONADRGYCPC-UHFFFAOYSA-N 1 0 382.218 2.172 20 5 GEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000576389501 652112705 /nfs/dbraw/zinc/11/27/05/652112705.db2.gz YPQZPOYJQNULQC-RKDXNWHRSA-N 1 0 389.193 2.009 20 5 GEBDRO CN(C)[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000578549910 652277493 /nfs/dbraw/zinc/27/74/93/652277493.db2.gz GMHUDSVHGFMEDH-INIZCTEOSA-N 1 0 383.495 2.323 20 5 GEBDRO C[C@@H](CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)[S@](C)=O ZINC000580178427 652369032 /nfs/dbraw/zinc/36/90/32/652369032.db2.gz XTVVGQANQAWUAY-UGZDLDLSSA-N 1 0 396.250 2.446 20 5 GEBDRO [NH3+]CC1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000580528981 652382222 /nfs/dbraw/zinc/38/22/22/652382222.db2.gz JQHIUIXFQNAWLP-UHFFFAOYSA-N 1 0 389.193 2.010 20 5 GEBDRO C[C@@H](Cc1cccc(Br)c1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000582763972 652462036 /nfs/dbraw/zinc/46/20/36/652462036.db2.gz LNKMEYFVCFSXGC-NHYWBVRUSA-N 1 0 383.246 2.136 20 5 GEBDRO CN1CCC[C@@H]1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000584498659 652522977 /nfs/dbraw/zinc/52/29/77/652522977.db2.gz AMFQZOSZNMBHLQ-GFCCVEGCSA-N 1 0 375.210 2.383 20 5 GEBDRO C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000595120292 652705992 /nfs/dbraw/zinc/70/59/92/652705992.db2.gz JDVNBUHBPNIHAB-KOLCDFICSA-N 1 0 392.275 2.105 20 5 GEBDRO C[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000595120925 652706379 /nfs/dbraw/zinc/70/63/79/652706379.db2.gz PAKLXFNKJSSOJP-SKDRFNHKSA-N 1 0 392.275 2.105 20 5 GEBDRO C[C@@H]1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000595228721 652708336 /nfs/dbraw/zinc/70/83/36/652708336.db2.gz IOJJEBGLBWLYIQ-PELKAZGASA-N 1 0 389.193 2.009 20 5 GEBDRO O=[N+]([O-])c1cnc(N2CCC([N@@H+]3CCCOCC3)CC2)c(Br)c1 ZINC000596269444 652757251 /nfs/dbraw/zinc/75/72/51/652757251.db2.gz UTQKAKVNTHHUAE-UHFFFAOYSA-N 1 0 385.262 2.443 20 5 GEBDRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C2 ZINC000598727564 652831942 /nfs/dbraw/zinc/83/19/42/652831942.db2.gz XKRVCHVJWUXPMI-SDBXPKJASA-N 1 0 380.253 2.404 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)c1 ZINC000599666927 652882803 /nfs/dbraw/zinc/88/28/03/652882803.db2.gz OYCHJRSMIYBFJZ-HUUCEWRRSA-N 1 0 389.239 2.172 20 5 GEBDRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768837614 653130012 /nfs/dbraw/zinc/13/00/12/653130012.db2.gz NSWGTIXNKSUNID-UHFFFAOYSA-N 1 0 385.467 2.422 20 5 GEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000769909098 653189203 /nfs/dbraw/zinc/18/92/03/653189203.db2.gz SSHIACIPNCNKCD-AWEZNQCLSA-N 1 0 393.918 2.272 20 5 GEBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000602597612 653193381 /nfs/dbraw/zinc/19/33/81/653193381.db2.gz VYTRMICLAZLMNZ-VXNVDRBHSA-N 1 0 389.193 2.070 20 5 GEBDRO O=[N+]([O-])c1sc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1Br ZINC000602722141 653202239 /nfs/dbraw/zinc/20/22/39/653202239.db2.gz NIDLVZBTQCLGLR-LLVKDONJSA-N 1 0 390.303 2.450 20 5 GEBDRO Cn1cc(C[NH2+]C(C)(C)COc2ncccc2Br)c([N+](=O)[O-])n1 ZINC000602797609 653206791 /nfs/dbraw/zinc/20/67/91/653206791.db2.gz KOYRSGDFFOEBBD-UHFFFAOYSA-N 1 0 384.234 2.433 20 5 GEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)c1 ZINC000602885585 653212695 /nfs/dbraw/zinc/21/26/95/653212695.db2.gz GEXRHBVZYSGABF-CYBMUJFWSA-N 1 0 382.218 2.102 20 5 GEBDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000809861303 653311331 /nfs/dbraw/zinc/31/13/31/653311331.db2.gz YOMRYCGFSAWYRR-JTQLQIEISA-N 1 0 394.291 2.364 20 5 GEBDRO C[C@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)C[NH2+]1 ZINC000700981729 653319144 /nfs/dbraw/zinc/31/91/44/653319144.db2.gz HCEHQYWKFIZFDF-DTWKUNHWSA-N 1 0 389.193 2.070 20 5 GEBDRO CC1(C)OCC([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CO1 ZINC000810153253 653328518 /nfs/dbraw/zinc/32/85/18/653328518.db2.gz SKFUBKWSDVDPLK-UHFFFAOYSA-N 1 0 392.193 2.441 20 5 GEBDRO CC[NH+](CC)CCS(=O)(=O)Oc1cc(Br)ccc1[N+](=O)[O-] ZINC000859281019 653432520 /nfs/dbraw/zinc/43/25/20/653432520.db2.gz KIIUPCTYUWQOPU-UHFFFAOYSA-N 1 0 381.248 2.408 20 5 GEBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@H]2COC3(CCOCC3)O2)cc1Br ZINC000877142257 653468430 /nfs/dbraw/zinc/46/84/30/653468430.db2.gz RKRSNGZLMSTMJE-SECBINFHSA-N 1 0 393.259 2.431 20 5 GEBDRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)[C@H]2C1 ZINC000813741035 653613670 /nfs/dbraw/zinc/61/36/70/653613670.db2.gz NFUMIOVIBCBWPG-PELKAZGASA-N 1 0 380.253 2.226 20 5 GEBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000815009729 653642985 /nfs/dbraw/zinc/64/29/85/653642985.db2.gz BOSRFPHPLMNOBF-SNVBAGLBSA-N 1 0 377.825 2.246 20 5 GEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815018635 653644149 /nfs/dbraw/zinc/64/41/49/653644149.db2.gz WDNLOPINAYLMCW-JOYOIKCWSA-N 1 0 379.841 2.348 20 5 GEBDRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000841546307 653730870 /nfs/dbraw/zinc/73/08/70/653730870.db2.gz LPCGBEKXOXJWKV-JTQLQIEISA-N 1 0 379.841 2.398 20 5 GEBDRO O=C(NC1CC[NH2+]CC1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841915063 653742507 /nfs/dbraw/zinc/74/25/07/653742507.db2.gz DIWMNXIVCMERMM-UHFFFAOYSA-N 1 0 383.246 2.177 20 5 GEBDRO O=C(NC[C@@H]1CCC[NH2+]C1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841926904 653742620 /nfs/dbraw/zinc/74/26/20/653742620.db2.gz LUCDGBLRMRDRJS-LLVKDONJSA-N 1 0 397.273 2.425 20 5 GEBDRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841943467 653742720 /nfs/dbraw/zinc/74/27/20/653742720.db2.gz OHAHWUKDOFPURS-SNVBAGLBSA-N 1 0 383.246 2.177 20 5 GEBDRO CC(C)[NH2+]CCCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000842707433 653763837 /nfs/dbraw/zinc/76/38/37/653763837.db2.gz GCFILSZSARPIIP-UHFFFAOYSA-N 1 0 380.264 2.024 20 5 GEBDRO CC[C@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000842798552 653768007 /nfs/dbraw/zinc/76/80/07/653768007.db2.gz RIFVYABNANBEME-CABZTGNLSA-N 1 0 392.275 2.105 20 5 GEBDRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000842860998 653770782 /nfs/dbraw/zinc/77/07/82/653770782.db2.gz YOEHUVKMXHYELV-NSHDSACASA-N 1 0 392.275 2.249 20 5 GEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000820595636 653777484 /nfs/dbraw/zinc/77/74/84/653777484.db2.gz OCTPJQULNGSZEF-KOLCDFICSA-N 1 0 381.376 2.417 20 5 GEBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000843104249 653779527 /nfs/dbraw/zinc/77/95/27/653779527.db2.gz OMVPQKGQELKPOD-CCUNJIBTSA-N 1 0 389.239 2.171 20 5 GEBDRO [NH3+]CCCCCCNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000843509481 653788864 /nfs/dbraw/zinc/78/88/64/653788864.db2.gz BLWVXJCIETWLPY-UHFFFAOYSA-N 1 0 391.209 2.448 20 5 GEBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000844032568 653799664 /nfs/dbraw/zinc/79/96/64/653799664.db2.gz BTUMMCFMLMHINN-SECBINFHSA-N 1 0 389.239 2.094 20 5 GEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866826305 653833660 /nfs/dbraw/zinc/83/36/60/653833660.db2.gz XQFNELFEQAQMTD-WDEREUQCSA-N 1 0 379.360 2.129 20 5 GEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896539987 653883565 /nfs/dbraw/zinc/88/35/65/653883565.db2.gz CMNOWQHCPSJZBV-IAQYHMDHSA-N 1 0 399.289 2.030 20 5 GEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000867307865 653912591 /nfs/dbraw/zinc/91/25/91/653912591.db2.gz DJINPZBUDIJLJV-JOYOIKCWSA-N 1 0 392.275 2.070 20 5 GEBDRO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1CN1CC[NH+](C2CC2)CC1 ZINC000795412617 653951099 /nfs/dbraw/zinc/95/10/99/653951099.db2.gz CFPUFVUEUDFGSR-UHFFFAOYSA-N 1 0 395.257 2.051 20 5 GEBDRO CN(CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000795563013 653958875 /nfs/dbraw/zinc/95/88/75/653958875.db2.gz MOHXREIXGSUTOH-LBPRGKRZSA-N 1 0 397.273 2.146 20 5 GEBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000885869607 653960944 /nfs/dbraw/zinc/96/09/44/653960944.db2.gz UKLHVMHYAMPAGM-CYBMUJFWSA-N 1 0 398.257 2.340 20 5 GEBDRO CS[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@H]1[NH+](C)C ZINC000795897299 653975838 /nfs/dbraw/zinc/97/58/38/653975838.db2.gz SYSKZFSQMPYXOF-MNOVXSKESA-N 1 0 397.881 2.053 20 5 GEBDRO CC(C)[N@H+](C)CCNS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795940984 653978688 /nfs/dbraw/zinc/97/86/88/653978688.db2.gz ZNZVEWMONFOSGC-UHFFFAOYSA-N 1 0 398.254 2.115 20 5 GEBDRO CN(CC(=O)N[C@@H]1CCC[N@H+](C)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796186639 653989994 /nfs/dbraw/zinc/98/99/94/653989994.db2.gz OOIIUXBDPXKIND-GFCCVEGCSA-N 1 0 385.262 2.004 20 5 GEBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc([N+](=O)[O-])ncc1Br ZINC000798163526 654052232 /nfs/dbraw/zinc/05/22/32/654052232.db2.gz URWAJNZTGIRKLS-UHFFFAOYSA-N 1 0 383.246 2.357 20 5 GEBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000798227872 654055671 /nfs/dbraw/zinc/05/56/71/654055671.db2.gz AADCZICHTIKSSJ-JTQLQIEISA-N 1 0 379.841 2.350 20 5 GEBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000851821624 654183903 /nfs/dbraw/zinc/18/39/03/654183903.db2.gz WAOXHZFIRDHTGK-SNVBAGLBSA-N 1 0 392.275 2.120 20 5 GEBDRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1ccc(Br)c([N+](=O)[O-])c1)C2 ZINC000903492602 654241204 /nfs/dbraw/zinc/24/12/04/654241204.db2.gz GZKCSSXKLWXRCP-OZVIIMIRSA-N 1 0 398.257 2.070 20 5 GEBDRO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C2 ZINC000871814626 654264448 /nfs/dbraw/zinc/26/44/48/654264448.db2.gz FAWLXCOPKTWXMX-ISVAXAHUSA-N 1 0 380.253 2.132 20 5 GEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000853081264 654277769 /nfs/dbraw/zinc/27/77/69/654277769.db2.gz NQUQEFKDLXBWNJ-VIFPVBQESA-N 1 0 375.756 2.067 20 5 GEBDRO Cn1ncc(I)c1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000894365739 654469908 /nfs/dbraw/zinc/46/99/08/654469908.db2.gz GRHPGWDYGKJQKH-UHFFFAOYSA-N 1 0 386.193 2.265 20 5 GEBDRO O=C1CC[C@H]([NH+]2CCN(c3cccc(Br)c3[N+](=O)[O-])CC2)CCN1 ZINC000856764028 654493367 /nfs/dbraw/zinc/49/33/67/654493367.db2.gz NDAZPHLBMOPOGF-LBPRGKRZSA-N 1 0 397.273 2.148 20 5 GEBDRO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)CC[N@@H+]1C ZINC000928437250 654647136 /nfs/dbraw/zinc/64/71/36/654647136.db2.gz BTGCZAKJVNVIFM-PRHODGIISA-N 1 0 389.193 2.022 20 5 GEBDRO CN(CC(=O)N1CC[C@@H]([NH+]2CCC2)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000912909099 654774084 /nfs/dbraw/zinc/77/40/84/654774084.db2.gz XGBWGBVKGLLYDL-CYBMUJFWSA-N 1 0 397.273 2.100 20 5 GEBDRO CN(CC(=O)N1CC[C@H]([NH+]2CCC2)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000912909100 654774108 /nfs/dbraw/zinc/77/41/08/654774108.db2.gz XGBWGBVKGLLYDL-ZDUSSCGKSA-N 1 0 397.273 2.100 20 5 GEBDRO C[C@@H]1C[C@H](N(C)C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000933447141 654813959 /nfs/dbraw/zinc/81/39/59/654813959.db2.gz UWZIBQOPPCUEKY-MWLCHTKSSA-N 1 0 385.262 2.494 20 5 GEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC000933799031 654827652 /nfs/dbraw/zinc/82/76/52/654827652.db2.gz UZVPCKMHHMZHAH-JTQLQIEISA-N 1 0 385.262 2.353 20 5 GEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000934888971 654864664 /nfs/dbraw/zinc/86/46/64/654864664.db2.gz GMMNOXNHSHBIRR-GXFFZTMASA-N 1 0 397.273 2.496 20 5 GEBDRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001164613854 719024853 /nfs/dbraw/zinc/02/48/53/719024853.db2.gz HZELIKLQLAEZAG-UHFFFAOYSA-N 1 0 380.420 2.373 20 5 GEBDRO Cc1nc(Cl)nc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c1[N+](=O)[O-] ZINC001164683121 719602409 /nfs/dbraw/zinc/60/24/09/719602409.db2.gz HNDJIKDPTPAOOP-UHFFFAOYSA-N 1 0 379.852 2.018 20 5 GEBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C)cc(OC)c1[N+](=O)[O-])C2 ZINC001164809953 720106989 /nfs/dbraw/zinc/10/69/89/720106989.db2.gz IWLPDYMPBIOVFL-OXQOHEQNSA-N 1 0 390.484 2.492 20 5 GEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164811519 720211401 /nfs/dbraw/zinc/21/14/01/720211401.db2.gz JEXIODSVXXSTCG-UHFFFAOYSA-N 1 0 386.456 2.105 20 5 GEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727869 720409217 /nfs/dbraw/zinc/40/92/17/720409217.db2.gz SAICEVHMAWEEFH-MSOLQXFVSA-N 1 0 397.435 2.415 20 5 GEBDRO CCOC(=O)c1ccnc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164732254 720470363 /nfs/dbraw/zinc/47/03/63/720470363.db2.gz YVNIVLKYWMVVPY-DLBZAZTESA-N 1 0 397.435 2.415 20 5 GEBDRO CCOc1nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)ccc1[N+](=O)[O-] ZINC001164736328 720574758 /nfs/dbraw/zinc/57/47/58/720574758.db2.gz ITMHEOHIUUFXJU-UHFFFAOYSA-N 1 0 386.456 2.244 20 5 GEBDRO O=[N+]([O-])c1ccc2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2c1 ZINC001164738874 720670382 /nfs/dbraw/zinc/67/03/82/720670382.db2.gz LESSYGGQGCKQQB-DLBZAZTESA-N 1 0 392.419 2.275 20 5 GEBDRO Cc1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1[N+](=O)[O-] ZINC001164746824 720818048 /nfs/dbraw/zinc/81/80/48/720818048.db2.gz ZHXCUUSSQHHVSJ-OKZBNKHCSA-N 1 0 397.483 2.269 20 5 GEBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)CC[C@@H]2C1 ZINC001164858214 720848144 /nfs/dbraw/zinc/84/81/44/720848144.db2.gz ZCJYOZCWNUORQJ-VQIMIIECSA-N 1 0 386.452 2.317 20 5 GEBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc4cccc([N+](=O)[O-])c4n3)CC[C@@H]2C1 ZINC001164851842 720852368 /nfs/dbraw/zinc/85/23/68/720852368.db2.gz IDQNWBWMSRFQIL-AEFFLSMTSA-N 1 0 386.452 2.317 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc(Cl)cc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164771585 721077370 /nfs/dbraw/zinc/07/73/70/721077370.db2.gz SCESOHNZPJJYLU-KGLIPLIRSA-N 1 0 376.848 2.335 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cnc5cc([N+](=O)[O-])ccc5n4)C[C@@H]3C2)cn1 ZINC001164762137 721091830 /nfs/dbraw/zinc/09/18/30/721091830.db2.gz COSVAUNALWTOQA-HOTGVXAUSA-N 1 0 393.451 2.230 20 5 GEBDRO CCOc1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164865718 721118953 /nfs/dbraw/zinc/11/89/53/721118953.db2.gz OVKCYHINYKQQRU-DLBZAZTESA-N 1 0 399.451 2.263 20 5 GEBDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001164932462 721856705 /nfs/dbraw/zinc/85/67/05/721856705.db2.gz XYFZVLHMZKODEH-CABCVRRESA-N 1 0 390.875 2.406 20 5 GEBDRO O=[N+]([O-])c1ccc(-c2ccc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)nn2)cc1 ZINC001164966667 722075340 /nfs/dbraw/zinc/07/53/40/722075340.db2.gz FYLAEKYXXZTPOU-HDICACEKSA-N 1 0 381.436 2.351 20 5 GEBDRO CC[NH+]1CCC(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000120697688 531990533 /nfs/dbraw/zinc/99/05/33/531990533.db2.gz OSMDSKGZGKJGDH-UHFFFAOYSA-N 1 0 392.275 2.120 20 5 GEBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121679493 532042347 /nfs/dbraw/zinc/04/23/47/532042347.db2.gz WHZLMYUEDFRWJL-UHFFFAOYSA-N 1 0 399.289 2.067 20 5 GEBDRO C[NH+](C)C1(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCOCC1 ZINC000125693292 532141131 /nfs/dbraw/zinc/14/11/31/532141131.db2.gz YUPUYEHIUSAXIR-UHFFFAOYSA-N 1 0 386.246 2.198 20 5 GEBDRO CC[NH+](CC)CCCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000133876515 532244861 /nfs/dbraw/zinc/24/48/61/532244861.db2.gz IAOSQQUCENBGTB-UHFFFAOYSA-N 1 0 394.291 2.368 20 5 GEBDRO O=C(NCCCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1Br ZINC000180534133 532274196 /nfs/dbraw/zinc/27/41/96/532274196.db2.gz NFVUNMUGVWMIPM-UHFFFAOYSA-N 1 0 386.246 2.200 20 5 GEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)nc1 ZINC000181400399 532297862 /nfs/dbraw/zinc/29/78/62/532297862.db2.gz FHIIMVSGYFAOED-LLVKDONJSA-N 1 0 384.845 2.272 20 5 GEBDRO C[C@@H]1CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000591681102 532419272 /nfs/dbraw/zinc/41/92/72/532419272.db2.gz GOVYUOIGUQDKNW-DTORHVGOSA-N 1 0 389.193 2.022 20 5 GEBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1sc(Br)cc1[N+](=O)[O-] ZINC000373113887 532433903 /nfs/dbraw/zinc/43/39/03/532433903.db2.gz WKAHFHHGYPANPF-RKDXNWHRSA-N 1 0 390.259 2.012 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCOc3c(Br)cccc32)c1 ZINC000282048459 532441881 /nfs/dbraw/zinc/44/18/81/532441881.db2.gz LWCLDQPBGDUMBG-SMDDNHRTSA-N 1 0 397.229 2.028 20 5 GEBDRO CC[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592382864 532453441 /nfs/dbraw/zinc/45/34/41/532453441.db2.gz SUNGHKBHFJEQNT-MWLCHTKSSA-N 1 0 381.376 2.362 20 5 GEBDRO CCC(CC)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000236788928 532496641 /nfs/dbraw/zinc/49/66/41/532496641.db2.gz XRQDAIUJBPEADO-UHFFFAOYSA-N 1 0 391.209 2.447 20 5 GEBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)[C@@H](C)C[NH2+]1 ZINC000237646976 532509596 /nfs/dbraw/zinc/50/95/96/532509596.db2.gz UOUNZFUWCNQKIV-IUCAKERBSA-N 1 0 389.193 2.022 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000237724742 532510653 /nfs/dbraw/zinc/51/06/53/532510653.db2.gz CFAWCWXOKHJUIP-SNVBAGLBSA-N 1 0 392.275 2.025 20 5 GEBDRO C[C@@H](CCCC[NH3+])NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000521873804 532520406 /nfs/dbraw/zinc/52/04/06/532520406.db2.gz OUHMWBNPOQAIHI-VIFPVBQESA-N 1 0 391.209 2.447 20 5 GEBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596174599 532589330 /nfs/dbraw/zinc/58/93/30/532589330.db2.gz JOZKNNWYLFMPTJ-CQSZACIVSA-N 1 0 397.273 2.276 20 5 GEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000376523905 532616096 /nfs/dbraw/zinc/61/60/96/532616096.db2.gz YCGHJSQIUSNYEK-ZWNOBZJWSA-N 1 0 383.246 2.451 20 5 GEBDRO O=C(CN1CC[C@@]2(C1)CCC[NH2+]C2)Nc1ccc([N+](=O)[O-])cc1Br ZINC000566242603 532601715 /nfs/dbraw/zinc/60/17/15/532601715.db2.gz DDLULCLNJZWLJF-INIZCTEOSA-N 1 0 397.273 2.371 20 5 GEBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)CC[NH2+]1 ZINC000262932317 532607985 /nfs/dbraw/zinc/60/79/85/532607985.db2.gz SUPDAMACRVDBDO-IUCAKERBSA-N 1 0 389.193 2.070 20 5 GEBDRO O=C(CN(C1CC1)[C@H]1CC[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000435241655 532611938 /nfs/dbraw/zinc/61/19/38/532611938.db2.gz VRTMISALULPXFB-LBPRGKRZSA-N 1 0 383.246 2.122 20 5 GEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000567353846 532650214 /nfs/dbraw/zinc/65/02/14/532650214.db2.gz MJZQZRACGQAKGU-JGVFFNPUSA-N 1 0 377.182 2.055 20 5 GEBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000567353848 532650895 /nfs/dbraw/zinc/65/08/95/532650895.db2.gz MJZQZRACGQAKGU-YUMQZZPRSA-N 1 0 377.182 2.055 20 5 GEBDRO C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285454053 532682123 /nfs/dbraw/zinc/68/21/23/532682123.db2.gz ZPWRKYSTOMFFMQ-LLVKDONJSA-N 1 0 384.483 2.210 20 5 GEBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000378290793 532689216 /nfs/dbraw/zinc/68/92/16/532689216.db2.gz YRUPCXFQMQXAQZ-NWDGAFQWSA-N 1 0 399.245 2.342 20 5 GEBDRO CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440412139 532713378 /nfs/dbraw/zinc/71/33/78/532713378.db2.gz UYMRKNYQUCOVBE-SNVBAGLBSA-N 1 0 380.264 2.009 20 5 GEBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000610905318 532719603 /nfs/dbraw/zinc/71/96/03/532719603.db2.gz LSYNMXBUVVTMEZ-ZDUSSCGKSA-N 1 0 386.246 2.198 20 5 GEBDRO Cn1c(Sc2ncnc3sc([N+](=O)[O-])cc32)nnc1C1CC[NH2+]CC1 ZINC000287437483 532795747 /nfs/dbraw/zinc/79/57/47/532795747.db2.gz VAPLTRZCFYBCBJ-UHFFFAOYSA-N 1 0 377.455 2.346 20 5 GEBDRO C[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1[NH+](C)C ZINC000330663952 532824414 /nfs/dbraw/zinc/82/44/14/532824414.db2.gz XYGKBGRJKPGICB-HZMBPMFUSA-N 1 0 385.262 2.178 20 5 GEBDRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000414465247 532829564 /nfs/dbraw/zinc/82/95/64/532829564.db2.gz QIVRTCXGHZHHSN-QWRGUYRKSA-N 1 0 381.376 2.375 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@@]2(O)CCSC2)c1 ZINC000289528267 532857643 /nfs/dbraw/zinc/85/76/43/532857643.db2.gz OINDRKLCSODITO-LBPRGKRZSA-N 1 0 394.234 2.157 20 5 GEBDRO C[S@@](=O)C1(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000289807383 532865285 /nfs/dbraw/zinc/86/52/85/532865285.db2.gz LJXBIKSKBMXQES-LJQANCHMSA-N 1 0 394.234 2.200 20 5 GEBDRO NC(=O)[C@H]1CCCN1CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290801758 532889988 /nfs/dbraw/zinc/88/99/88/532889988.db2.gz FHSPJSBJVOVLDB-CYBMUJFWSA-N 1 0 375.256 2.331 20 5 GEBDRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000290759392 532888808 /nfs/dbraw/zinc/88/88/08/532888808.db2.gz NJKBXFZCCOUAEK-VHSXEESVSA-N 1 0 379.841 2.491 20 5 GEBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000370467626 532943638 /nfs/dbraw/zinc/94/36/38/532943638.db2.gz DESJKFCZEFWFSI-CYBMUJFWSA-N 1 0 387.889 2.302 20 5 GEBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000736617621 599063836 /nfs/dbraw/zinc/06/38/36/599063836.db2.gz ZIACQLIVPBHBKW-BBRMVZONSA-N 1 0 389.460 2.324 20 5 GEBDRO Cn1cc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000737600900 598356745 /nfs/dbraw/zinc/35/67/45/598356745.db2.gz BFBOOQHFKYTDDW-UHFFFAOYSA-N 1 0 390.407 2.465 20 5 GEBDRO O=[N+]([O-])c1cnc(N2CCC(C[NH+]3CCCCCC3)CC2)c(-c2nn[nH]n2)c1 ZINC000738370956 598500046 /nfs/dbraw/zinc/50/00/46/598500046.db2.gz YPHBFNCXSAGWMO-UHFFFAOYSA-N 1 0 386.460 2.262 20 5 GEBDRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000736198468 599309618 /nfs/dbraw/zinc/30/96/18/599309618.db2.gz JEDKBAJGMLKFRI-ZDUSSCGKSA-N 1 0 380.412 2.053 20 5 GEBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000820409876 599388171 /nfs/dbraw/zinc/38/81/71/599388171.db2.gz BFEDSBMIMQZBJZ-NWDGAFQWSA-N 1 0 381.396 2.453 20 5 GEBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820420166 599388397 /nfs/dbraw/zinc/38/83/97/599388397.db2.gz NJLOHNUZKNQXQL-YVEFUNNKSA-N 1 0 393.407 2.231 20 5 GEBDRO COc1cc(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)ccc1[N+](=O)[O-] ZINC000821719367 599465288 /nfs/dbraw/zinc/46/52/88/599465288.db2.gz CRASQAYMTIUQAH-UHFFFAOYSA-N 1 0 395.423 2.106 20 5 GEBDRO CC[NH+]1CCN(c2ccc(Nc3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])cc2)CC1 ZINC000821276752 607162685 /nfs/dbraw/zinc/16/26/85/607162685.db2.gz MZSBNLMQHREVTP-UHFFFAOYSA-N 1 0 395.427 2.055 20 5 GEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824384973 608282299 /nfs/dbraw/zinc/28/22/99/608282299.db2.gz IYBTXVYUYHOBRV-NSHDSACASA-N 1 0 399.386 2.421 20 5 GEBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(-c2nn[nH]n2)c1 ZINC000824555482 608487012 /nfs/dbraw/zinc/48/70/12/608487012.db2.gz WSKDPUIFPIBRMH-GFCCVEGCSA-N 1 0 393.407 2.015 20 5 GEBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000826283384 608554013 /nfs/dbraw/zinc/55/40/13/608554013.db2.gz PNHVBKKOBXNFEI-LBPRGKRZSA-N 1 0 381.396 2.373 20 5 GEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000826283508 608554203 /nfs/dbraw/zinc/55/42/03/608554203.db2.gz SPJODHSVZGLWPP-CJNGLKHVSA-N 1 0 398.423 2.174 20 5 GEBDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[N@@H+]1C ZINC000447028583 649994769 /nfs/dbraw/zinc/99/47/69/649994769.db2.gz OLTQDFHWIJXZGN-VHSXEESVSA-N 1 0 381.376 2.375 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000447246330 650003310 /nfs/dbraw/zinc/00/33/10/650003310.db2.gz OSGLWBGEYUSUNM-PSASIEDQSA-N 1 0 392.275 2.024 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]CCc2ccc(Cl)cc2)cc1 ZINC000459393973 650423859 /nfs/dbraw/zinc/42/38/59/650423859.db2.gz YTEFLULGTVJIFK-UHFFFAOYSA-N 1 0 383.857 2.359 20 5 GEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@H](O)[C@@H](CO)C3)o2)c(Br)c1 ZINC000459702135 650429909 /nfs/dbraw/zinc/42/99/09/650429909.db2.gz KZGQHUQKWCTWLR-BMIGLBTASA-N 1 0 397.225 2.402 20 5 GEBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000462484181 650481717 /nfs/dbraw/zinc/48/17/17/650481717.db2.gz JJXCNZVYKXWGFU-KOLCDFICSA-N 1 0 392.275 2.118 20 5 GEBDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000066578847 642923806 /nfs/dbraw/zinc/92/38/06/642923806.db2.gz HXUUDBRITJCAJC-UHFFFAOYSA-N 1 0 392.275 2.074 20 5 GEBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000109065162 643288696 /nfs/dbraw/zinc/28/86/96/643288696.db2.gz SMRAXWZGCPKIPZ-JTQLQIEISA-N 1 0 394.291 2.366 20 5 GEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)NC(C)C ZINC000539093326 650842017 /nfs/dbraw/zinc/84/20/17/650842017.db2.gz JQPHWZMPHFLQGY-ZDUSSCGKSA-N 1 0 375.516 2.383 20 5 GEBDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000120328788 643600338 /nfs/dbraw/zinc/60/03/38/643600338.db2.gz VXVNUYADCRNTMJ-UHFFFAOYSA-N 1 0 392.275 2.074 20 5 GEBDRO C[NH+](C)C(C)(C)CNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000120533330 643616805 /nfs/dbraw/zinc/61/68/05/643616805.db2.gz WHWILQMJIXMRRM-UHFFFAOYSA-N 1 0 391.209 2.269 20 5 GEBDRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000124445843 643686999 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Cc1cc(Cl)c(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC000752261051 652383014 /nfs/dbraw/zinc/38/30/14/652383014.db2.gz NXLPPUHNFWZUFJ-AWEZNQCLSA-N 1 0 393.918 2.272 20 5 GEBDRO C[NH+](C)CCOCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000753440739 652408015 /nfs/dbraw/zinc/40/80/15/652408015.db2.gz XKURCBMTQZBNLM-UHFFFAOYSA-N 1 0 394.653 2.319 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCOc2ccc(Cl)c(Cl)c2)c1 ZINC000581483876 652414806 /nfs/dbraw/zinc/41/48/06/652414806.db2.gz KVLIMAUQXKGPCO-LLVKDONJSA-N 1 0 375.212 2.128 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCOc2cccc(Cl)c2Cl)c1 ZINC000582176095 652438633 /nfs/dbraw/zinc/43/86/33/652438633.db2.gz BOVGOWIFZIORQM-LLVKDONJSA-N 1 0 375.212 2.128 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000757675984 652520349 /nfs/dbraw/zinc/52/03/49/652520349.db2.gz QCNPSCBVLUJWCB-KFWWJZLASA-N 1 0 388.536 2.338 20 5 GEBDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000589236417 652563269 /nfs/dbraw/zinc/56/32/69/652563269.db2.gz DDLWVRUUWOECGS-JTQLQIEISA-N 1 0 394.291 2.364 20 5 GEBDRO [NH3+][C@@H]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000592391853 652593086 /nfs/dbraw/zinc/59/30/86/652593086.db2.gz OUXJEBYTDIULLJ-NXEZZACHSA-N 1 0 392.275 2.153 20 5 GEBDRO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000594964937 652698686 /nfs/dbraw/zinc/69/86/86/652698686.db2.gz FDGKQVLSPUUJFZ-GJZGRUSLSA-N 1 0 382.463 2.225 20 5 GEBDRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000596052644 652752438 /nfs/dbraw/zinc/75/24/38/652752438.db2.gz VXNYQHYWGSCJMQ-QMMMGPOBSA-N 1 0 396.174 2.412 20 5 GEBDRO COCC[NH+]1CCC(NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599163973 652851910 /nfs/dbraw/zinc/85/19/10/652851910.db2.gz KCBHEYSHCSOQGV-UHFFFAOYSA-N 1 0 386.246 2.198 20 5 GEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599653864 652881917 /nfs/dbraw/zinc/88/19/17/652881917.db2.gz WDQXMYUSZHWSOK-NSHDSACASA-N 1 0 388.262 2.444 20 5 GEBDRO CS[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C[C@@H]1[NH+](C)C ZINC000767315379 652919829 /nfs/dbraw/zinc/91/98/29/652919829.db2.gz NSPHJUSIXNVJER-STQMWFEESA-N 1 0 393.918 2.223 20 5 GEBDRO C[NH+](C)C1(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000768843502 653131164 /nfs/dbraw/zinc/13/11/64/653131164.db2.gz VKLRDAUXVQSYMN-UHFFFAOYSA-N 1 0 381.479 2.034 20 5 GEBDRO O=[N+]([O-])c1nn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Br ZINC000601959154 653133257 /nfs/dbraw/zinc/13/32/57/653133257.db2.gz OWTFKWPLBIEOBF-HNNXBMFYSA-N 1 0 381.230 2.191 20 5 GEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCCN1CCCS1(=O)=O ZINC000602545833 653190086 /nfs/dbraw/zinc/19/00/86/653190086.db2.gz XLEHHYQVMYTIMW-UHFFFAOYSA-N 1 0 381.376 2.129 20 5 GEBDRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602621287 653195733 /nfs/dbraw/zinc/19/57/33/653195733.db2.gz CPVAHKFPYWJBSP-VXGBXAGGSA-N 1 0 395.275 2.329 20 5 GEBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@H]2CCCN2CCCO)cc1Br ZINC000602673205 653199635 /nfs/dbraw/zinc/19/96/35/653199635.db2.gz JGZVUALVDQSNOS-SNVBAGLBSA-N 1 0 378.292 2.355 20 5 GEBDRO C[NH+](C)CC1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000809829466 653305075 /nfs/dbraw/zinc/30/50/75/653305075.db2.gz BLCVPNZSEWXWLP-UHFFFAOYSA-N 1 0 379.841 2.350 20 5 GEBDRO C[C@@](CO)([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000809974188 653315747 /nfs/dbraw/zinc/31/57/47/653315747.db2.gz ORNWWLHZUOAHCJ-ZDUSSCGKSA-N 1 0 376.194 2.450 20 5 GEBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000700977046 653318640 /nfs/dbraw/zinc/31/86/40/653318640.db2.gz YWIPDNHWCRKIBG-YUMQZZPRSA-N 1 0 377.182 2.055 20 5 GEBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1I)C1(C[NH3+])CCC1 ZINC000700972709 653318676 /nfs/dbraw/zinc/31/86/76/653318676.db2.gz ANNVZOGBHLGBIE-UHFFFAOYSA-N 1 0 389.193 2.153 20 5 GEBDRO CS[C@H]1CN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C[C@H]1[NH+](C)C ZINC000779916454 653616095 /nfs/dbraw/zinc/61/60/95/653616095.db2.gz ASQFOULEWWSEKG-NEPJUHHUSA-N 1 0 393.918 2.223 20 5 GEBDRO C[C@@H](CNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000814138655 653624227 /nfs/dbraw/zinc/62/42/27/653624227.db2.gz YZSUPPCLGXEZRW-NSHDSACASA-N 1 0 387.278 2.107 20 5 GEBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NC1CC[NH+](C2CC2)CC1 ZINC000814982021 653641788 /nfs/dbraw/zinc/64/17/88/653641788.db2.gz UQLBHMBSDZSPQB-UHFFFAOYSA-N 1 0 377.825 2.292 20 5 GEBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000814990251 653642160 /nfs/dbraw/zinc/64/21/60/653642160.db2.gz JIMCIGVIEUNOFG-NWDGAFQWSA-N 1 0 377.825 2.292 20 5 GEBDRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)C2)C1 ZINC000815064889 653649256 /nfs/dbraw/zinc/64/92/56/653649256.db2.gz KKHVPEPMAALACR-OAHLLOKOSA-N 1 0 391.852 2.494 20 5 GEBDRO [NH3+]Cc1cn([C@@H]2CCCN(Cc3ccc(Br)c([N+](=O)[O-])c3)C2)nn1 ZINC000841099052 653706306 /nfs/dbraw/zinc/70/63/06/653706306.db2.gz CFMLMTPDMSPYSZ-CYBMUJFWSA-N 1 0 395.261 2.245 20 5 GEBDRO C[C@@H]1CN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000818626300 653734800 /nfs/dbraw/zinc/73/48/00/653734800.db2.gz UBSJDWYUXQBIJO-TXEJJXNPSA-N 1 0 399.289 2.345 20 5 GEBDRO C[C@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000842699323 653763545 /nfs/dbraw/zinc/76/35/45/653763545.db2.gz KULXWPARDPOXIL-VHSXEESVSA-N 1 0 392.275 2.024 20 5 GEBDRO C[C@]1(CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000842827327 653769972 /nfs/dbraw/zinc/76/99/72/653769972.db2.gz SMNFGVXSMOTKCQ-ZDUSSCGKSA-N 1 0 392.275 2.025 20 5 GEBDRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000842869295 653771162 /nfs/dbraw/zinc/77/11/62/653771162.db2.gz ITVGQZAHDGGOSS-VIFPVBQESA-N 1 0 380.264 2.153 20 5 GEBDRO C[NH+](C)CCNC(=S)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000789343034 653772025 /nfs/dbraw/zinc/77/20/25/653772025.db2.gz XMUDJNAXCKFGJP-UHFFFAOYSA-N 1 0 387.303 2.152 20 5 GEBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000842896551 653772855 /nfs/dbraw/zinc/77/28/55/653772855.db2.gz WRFZQVVUKMPBAV-NSHDSACASA-N 1 0 392.275 2.168 20 5 GEBDRO [NH3+]CCCCCCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000842919686 653773714 /nfs/dbraw/zinc/77/37/14/653773714.db2.gz NCEFLQDAEFFYEF-UHFFFAOYSA-N 1 0 380.264 2.155 20 5 GEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000820595643 653777512 /nfs/dbraw/zinc/77/75/12/653777512.db2.gz OCTPJQULNGSZEF-ONGXEEELSA-N 1 0 381.376 2.417 20 5 GEBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)C2)C1 ZINC000820609668 653777720 /nfs/dbraw/zinc/77/77/20/653777720.db2.gz RRKHRNSYLYSBDE-INIZCTEOSA-N 1 0 397.273 2.497 20 5 GEBDRO CN1CC[C@H]([NH+]2CCC(Nc3cccc(Br)c3[N+](=O)[O-])CC2)C1=O ZINC000865885885 653778724 /nfs/dbraw/zinc/77/87/24/653778724.db2.gz BJIYBYPVNPJUEV-AWEZNQCLSA-N 1 0 397.273 2.464 20 5 GEBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000882485034 653784447 /nfs/dbraw/zinc/78/44/47/653784447.db2.gz FBMDHXBVLQIMEF-SNVBAGLBSA-N 1 0 389.193 2.023 20 5 GEBDRO C[C@H]1CN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000820874668 653785622 /nfs/dbraw/zinc/78/56/22/653785622.db2.gz ROJMVDCOUSJTTG-SNVBAGLBSA-N 1 0 397.273 2.496 20 5 GEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cnc(Br)cn3)CC2)cn1 ZINC000895407591 653832948 /nfs/dbraw/zinc/83/29/48/653832948.db2.gz VFLJHOMWOZGLOP-UHFFFAOYSA-N 1 0 393.245 2.301 20 5 GEBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000895610789 653843460 /nfs/dbraw/zinc/84/34/60/653843460.db2.gz ITUFSPBHHAKLPA-GFCCVEGCSA-N 1 0 377.260 2.414 20 5 GEBDRO C[NH+](C)C1(CS(=O)(=O)Oc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000866987929 653860701 /nfs/dbraw/zinc/86/07/01/653860701.db2.gz PXCWPACFBKNDAH-UHFFFAOYSA-N 1 0 379.232 2.160 20 5 GEBDRO C[C@H](CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CC[NH+](C)CC1 ZINC000896429136 653879668 /nfs/dbraw/zinc/87/96/68/653879668.db2.gz SHFTVFMGVPFYCB-SECBINFHSA-N 1 0 393.246 2.406 20 5 GEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000867307866 653912637 /nfs/dbraw/zinc/91/26/37/653912637.db2.gz DJINPZBUDIJLJV-SKDRFNHKSA-N 1 0 392.275 2.070 20 5 GEBDRO C[NH+](C)C[C@H]1CCN(CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795427589 653951692 /nfs/dbraw/zinc/95/16/92/653951692.db2.gz KJXWSJMWJZLKOD-LLVKDONJSA-N 1 0 397.273 2.154 20 5 GEBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000885869609 653960858 /nfs/dbraw/zinc/96/08/58/653960858.db2.gz UKLHVMHYAMPAGM-ZDUSSCGKSA-N 1 0 398.257 2.340 20 5 GEBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000885876777 653961250 /nfs/dbraw/zinc/96/12/50/653961250.db2.gz YDSGFUDGOCEXFK-CQSZACIVSA-N 1 0 398.257 2.340 20 5 GEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795887477 653974968 /nfs/dbraw/zinc/97/49/68/653974968.db2.gz AMUVKGCGWBCIJV-GXFFZTMASA-N 1 0 391.852 2.492 20 5 GEBDRO CN(CC(=O)N1CCC[C@H]1C[NH+](C)C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796023002 653982255 /nfs/dbraw/zinc/98/22/55/653982255.db2.gz KYWHCSOIFBJNLY-ZDUSSCGKSA-N 1 0 399.289 2.346 20 5 GEBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C12CCC2 ZINC000898832973 653987563 /nfs/dbraw/zinc/98/75/63/653987563.db2.gz YWKPKTJKCJICJN-VXGBXAGGSA-N 1 0 383.246 2.355 20 5 GEBDRO C[N@@H+]1C[C@@H]2CN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887924799 654058747 /nfs/dbraw/zinc/05/87/47/654058747.db2.gz ZWHRSEBFRDCGCP-WBMJQRKESA-N 1 0 382.258 2.310 20 5 GEBDRO O=C1CC[C@@H]([NH+]2CCN(c3cc(Br)ccc3[N+](=O)[O-])CC2)CCN1 ZINC000829352676 654065371 /nfs/dbraw/zinc/06/53/71/654065371.db2.gz YXEDKIZBIGEKQW-CYBMUJFWSA-N 1 0 397.273 2.148 20 5 GEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[S@](=O)CC(F)(F)F)CC2)cc1 ZINC000850490849 654079126 /nfs/dbraw/zinc/07/91/26/654079126.db2.gz HXXHPOJRESBGSC-VWLOTQADSA-N 1 0 379.404 2.464 20 5 GEBDRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000850593560 654085279 /nfs/dbraw/zinc/08/52/79/654085279.db2.gz WCEZXIGVOUYUTA-LLVKDONJSA-N 1 0 380.264 2.009 20 5 GEBDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc([N+](=O)[O-])ncc1Br ZINC000830996299 654155207 /nfs/dbraw/zinc/15/52/07/654155207.db2.gz WQQLOKJXVJMOSC-UHFFFAOYSA-N 1 0 383.246 2.499 20 5 GEBDRO Cc1c(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cccc1[N+](=O)[O-] ZINC000873051488 654411868 /nfs/dbraw/zinc/41/18/68/654411868.db2.gz KDMHIUQXNIPLFH-UHFFFAOYSA-N 1 0 377.413 2.257 20 5 GEBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cc([N+](=O)[O-])ccc1Br ZINC000906442269 654437738 /nfs/dbraw/zinc/43/77/38/654437738.db2.gz YRAZJKDUFFZNDL-ZDUSSCGKSA-N 1 0 398.257 2.340 20 5 GEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000932907428 654794217 /nfs/dbraw/zinc/79/42/17/654794217.db2.gz DRWCIPGLDLEPFS-SNVBAGLBSA-N 1 0 385.262 2.353 20 5 GEBDRO O=[N+]([O-])c1cccc(Br)c1CN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934275304 654842703 /nfs/dbraw/zinc/84/27/03/654842703.db2.gz OIYNRVXTQFNLRT-JKSUJKDBSA-N 1 0 384.274 2.388 20 5 GEBDRO O=[N+]([O-])c1cccc(CN2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1Br ZINC000934276649 654842716 /nfs/dbraw/zinc/84/27/16/654842716.db2.gz ZGCGIQYCRSAUIU-ZIAGYGMSSA-N 1 0 384.274 2.388 20 5 GEBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nccc3cc([N+](=O)[O-])ccc31)CC2 ZINC001164689819 719755145 /nfs/dbraw/zinc/75/51/45/719755145.db2.gz KFAJTGCHYCLOJQ-UHFFFAOYSA-N 1 0 383.452 2.324 20 5 GEBDRO Cc1nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001164828326 720290695 /nfs/dbraw/zinc/29/06/95/720290695.db2.gz ZXXIHNJIQHNSQU-ROUUACIJSA-N 1 0 387.484 2.210 20 5 GEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164729499 720483067 /nfs/dbraw/zinc/48/30/67/720483067.db2.gz RFCALSNDDOCCBN-JKSUJKDBSA-N 1 0 383.408 2.025 20 5 GEBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c2ccccc21 ZINC001164744343 720683014 /nfs/dbraw/zinc/68/30/14/720683014.db2.gz ZKUVMXKMKJJKFK-CABCVRRESA-N 1 0 392.419 2.275 20 5 GEBDRO O=[N+]([O-])c1cccc2nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)ccc21 ZINC001164736701 720689276 /nfs/dbraw/zinc/68/92/76/720689276.db2.gz AMZKWIUGPZGYTK-CABCVRRESA-N 1 0 392.419 2.275 20 5 GEBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164861745 720865473 /nfs/dbraw/zinc/86/54/73/720865473.db2.gz YNHCOKFEKVDWAG-APWZRJJASA-N 1 0 386.452 2.317 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nccc(Cl)c4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164765853 721077921 /nfs/dbraw/zinc/07/79/21/721077921.db2.gz JXVNMJLKURPJJB-ZIAGYGMSSA-N 1 0 376.848 2.335 20 5 GEBDRO Cc1c(C)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164864087 721098473 /nfs/dbraw/zinc/09/84/73/721098473.db2.gz DZLGFSDOCCKTIE-ZWKOTPCHSA-N 1 0 383.452 2.481 20 5 GEBDRO O=[N+]([O-])c1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc2[nH]ccc21 ZINC001164867697 721115553 /nfs/dbraw/zinc/11/55/53/721115553.db2.gz ZPIHOCATUASVIL-HOTGVXAUSA-N 1 0 394.435 2.346 20 5 GEBDRO Cc1nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ccc1[N+](=O)[O-] ZINC001164894036 721383456 /nfs/dbraw/zinc/38/34/56/721383456.db2.gz WJJRSKLYXWRBPP-XLIONFOSSA-N 1 0 389.500 2.064 20 5 GEBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164906378 721543228 /nfs/dbraw/zinc/54/32/28/721543228.db2.gz KHIUHQDZXBOJAX-NVXWUHKLSA-N 1 0 388.399 2.018 20 5 GEBDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164930716 721856782 /nfs/dbraw/zinc/85/67/82/721856782.db2.gz SIQJJERMYSIOOU-CVEARBPZSA-N 1 0 390.875 2.406 20 5 GEBDRO Cc1ncc([N+](=O)[O-])c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164963222 722055262 /nfs/dbraw/zinc/05/52/62/722055262.db2.gz IWINWRDWFHFPDH-UHFFFAOYSA-N 1 0 398.467 2.207 20 5 GEBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121944219 532052496 /nfs/dbraw/zinc/05/24/96/532052496.db2.gz YBEABMBPDIDTQM-UHFFFAOYSA-N 1 0 399.289 2.067 20 5 GEBDRO CS(=O)(=O)CCOCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000174512953 532068259 /nfs/dbraw/zinc/06/82/59/532068259.db2.gz SJGWKDPABGQXIN-UHFFFAOYSA-N 1 0 384.479 2.474 20 5 GEBDRO COc1ccc([C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1Br ZINC000174693059 532073881 /nfs/dbraw/zinc/07/38/81/532073881.db2.gz OCSWXXHPLGIEME-MFKMUULPSA-N 1 0 399.245 2.274 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000123287626 532097938 /nfs/dbraw/zinc/09/79/38/532097938.db2.gz HLSGZAUHUJXTAY-VXGBXAGGSA-N 1 0 392.275 2.214 20 5 GEBDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000123488999 532099769 /nfs/dbraw/zinc/09/97/69/532099769.db2.gz NROFAKNGWDLTNE-UHFFFAOYSA-N 1 0 394.291 2.318 20 5 GEBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](CO)c1cccc(Br)c1 ZINC000125604742 532139220 /nfs/dbraw/zinc/13/92/20/532139220.db2.gz ROLKCFIDQYUQNI-OAHLLOKOSA-N 1 0 396.241 2.184 20 5 GEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176881874 532153205 /nfs/dbraw/zinc/15/32/05/532153205.db2.gz OGZQAZPEZOJYFY-GFCCVEGCSA-N 1 0 388.262 2.444 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000180198567 532260758 /nfs/dbraw/zinc/26/07/58/532260758.db2.gz NLYCWAIVFGBYGG-UHFFFAOYSA-N 1 0 382.467 2.246 20 5 GEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)nc1 ZINC000181400377 532297858 /nfs/dbraw/zinc/29/78/58/532297858.db2.gz FHIIMVSGYFAOED-NSHDSACASA-N 1 0 384.845 2.272 20 5 GEBDRO COc1ccsc1[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000186133857 532339974 /nfs/dbraw/zinc/33/99/74/532339974.db2.gz SPPROPOKULYJMJ-NSHDSACASA-N 1 0 385.467 2.294 20 5 GEBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000184293114 532331706 /nfs/dbraw/zinc/33/17/06/532331706.db2.gz WYIVOFPBZVQMDD-LBPRGKRZSA-N 1 0 399.289 2.113 20 5 GEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3C[C@H](O)[C@@H](O)C3)o2)c(Br)c1 ZINC000278325881 532374519 /nfs/dbraw/zinc/37/45/19/532374519.db2.gz GPVFOVODQBMNOD-KBPBESRZSA-N 1 0 383.198 2.155 20 5 GEBDRO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000277995425 532368805 /nfs/dbraw/zinc/36/88/05/532368805.db2.gz UVQGPZNPACRSQR-LBPRGKRZSA-N 1 0 391.877 2.027 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427934287 532437701 /nfs/dbraw/zinc/43/77/01/532437701.db2.gz SXARTWPEHIHLLU-GZMMTYOYSA-N 1 0 380.253 2.274 20 5 GEBDRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000592370539 532452392 /nfs/dbraw/zinc/45/23/92/532452392.db2.gz NPTZYIRALCRSGD-VHSXEESVSA-N 1 0 381.376 2.362 20 5 GEBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000592331125 532450937 /nfs/dbraw/zinc/45/09/37/532450937.db2.gz ISEKAEYRYKPCSX-QWRGUYRKSA-N 1 0 389.193 2.199 20 5 GEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3COC[C@H]3O)o2)c(Br)c1 ZINC000295699246 532470008 /nfs/dbraw/zinc/47/00/08/532470008.db2.gz TWZJISBKAFLMIU-ZIAGYGMSSA-N 1 0 383.198 2.467 20 5 GEBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1Br ZINC000373892693 532477200 /nfs/dbraw/zinc/47/72/00/532477200.db2.gz MPOJEIWDBXWEJT-GFCCVEGCSA-N 1 0 398.257 2.340 20 5 GEBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000563106777 532496714 /nfs/dbraw/zinc/49/67/14/532496714.db2.gz BXRJPYGVBFHMLG-NSHDSACASA-N 1 0 389.193 2.023 20 5 GEBDRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000520555922 532495255 /nfs/dbraw/zinc/49/52/55/532495255.db2.gz ZAIBTEAONNSIFT-UHFFFAOYSA-N 1 0 393.893 2.227 20 5 GEBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C2 ZINC000593911631 532502645 /nfs/dbraw/zinc/50/26/45/532502645.db2.gz HUSPXEFQAXKBBL-LRDDRELGSA-N 1 0 382.258 2.487 20 5 GEBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000238078571 532517025 /nfs/dbraw/zinc/51/70/25/532517025.db2.gz CTINQUWNUBAVPY-PELKAZGASA-N 1 0 389.193 2.057 20 5 GEBDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)C[C@@H]21 ZINC000375710749 532577579 /nfs/dbraw/zinc/57/75/79/532577579.db2.gz MWAIPPXZVIYTIA-SKDRFNHKSA-N 1 0 377.825 2.102 20 5 GEBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597695119 532623939 /nfs/dbraw/zinc/62/39/39/532623939.db2.gz QKZNCBUOIOFMKN-CABCVRRESA-N 1 0 398.257 2.293 20 5 GEBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)C1CC([NH3+])C1 ZINC000567500712 532657110 /nfs/dbraw/zinc/65/71/10/532657110.db2.gz FPKCVJISOVGXEH-UHFFFAOYSA-N 1 0 389.193 2.070 20 5 GEBDRO Cc1c(Br)cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000378256823 532686774 /nfs/dbraw/zinc/68/67/74/532686774.db2.gz ZOMZTBDCUVFYQH-QWHCGFSZSA-N 1 0 398.257 2.259 20 5 GEBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000440088474 532706980 /nfs/dbraw/zinc/70/69/80/532706980.db2.gz AAEOXXQDDQUJKE-JTQLQIEISA-N 1 0 394.291 2.366 20 5 GEBDRO C[C@@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000440345492 532710554 /nfs/dbraw/zinc/71/05/54/532710554.db2.gz YXMGVAQLCLIQQN-NXEZZACHSA-N 1 0 392.275 2.024 20 5 GEBDRO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440412136 532713393 /nfs/dbraw/zinc/71/33/93/532713393.db2.gz UYMRKNYQUCOVBE-JTQLQIEISA-N 1 0 380.264 2.009 20 5 GEBDRO C[C@@H]1CCCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000440415806 532713541 /nfs/dbraw/zinc/71/35/41/532713541.db2.gz SACBAXZSGHQGNC-NOZJJQNGSA-N 1 0 392.275 2.105 20 5 GEBDRO C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H]1C[NH3+] ZINC000440424495 532713813 /nfs/dbraw/zinc/71/38/13/532713813.db2.gz FOEAMLLKSIROOT-CABZTGNLSA-N 1 0 392.275 2.105 20 5 GEBDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC[N@@H+]1C ZINC000286190997 532733146 /nfs/dbraw/zinc/73/31/46/532733146.db2.gz ZVJUDKTZEZJPBJ-NXEZZACHSA-N 1 0 379.841 2.491 20 5 GEBDRO C[C@H]1C[N@@H+](C2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)CCO1 ZINC000301521039 532753666 /nfs/dbraw/zinc/75/36/66/532753666.db2.gz GXGNAQVXFZCRCN-NSHDSACASA-N 1 0 385.262 2.442 20 5 GEBDRO CS[C@H]1CN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000330598275 532821972 /nfs/dbraw/zinc/82/19/72/532821972.db2.gz WPNZSXAWIZBTSD-KBPBESRZSA-N 1 0 393.918 2.223 20 5 GEBDRO C[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@H]1[NH+](C)C ZINC000330663955 532824361 /nfs/dbraw/zinc/82/43/61/532824361.db2.gz XYGKBGRJKPGICB-QMTHXVAHSA-N 1 0 385.262 2.178 20 5 GEBDRO CS[C@H]1CN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000274728630 532855310 /nfs/dbraw/zinc/85/53/10/532855310.db2.gz DINHYERMSGPCKB-GJZGRUSLSA-N 1 0 385.511 2.104 20 5 GEBDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289487829 532856879 /nfs/dbraw/zinc/85/68/79/532856879.db2.gz KPLZBGFQAIAWKQ-SECBINFHSA-N 1 0 391.209 2.156 20 5 GEBDRO C[N@H+](C[C@@H](O)COc1ccc(I)cc1[N+](=O)[O-])C1CC1 ZINC000290512324 532882520 /nfs/dbraw/zinc/88/25/20/532882520.db2.gz BQAMOWYAHSOWDM-LLVKDONJSA-N 1 0 392.193 2.033 20 5 GEBDRO C[N@H+](CCc1cccc(Br)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000291273795 532899532 /nfs/dbraw/zinc/89/95/32/532899532.db2.gz PUAJBIZZWFHCNY-HNNXBMFYSA-N 1 0 383.246 2.089 20 5 GEBDRO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1Cl ZINC000368140832 532930340 /nfs/dbraw/zinc/93/03/40/532930340.db2.gz AZBCBJHZQKCPJV-SNVBAGLBSA-N 1 0 377.825 2.246 20 5 GEBDRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000370090467 532942166 /nfs/dbraw/zinc/94/21/66/532942166.db2.gz GSXCCZDYNSSOJB-OWUUHHOZSA-N 1 0 390.259 2.000 20 5 GEBDRO O=[N+]([O-])c1cnc(N2CCC[N@H+](CC3CCCCC3)CC2)c(-c2nn[nH]n2)c1 ZINC000738369863 598499847 /nfs/dbraw/zinc/49/98/47/598499847.db2.gz QALLEFVTDRAXFR-UHFFFAOYSA-N 1 0 386.460 2.262 20 5 GEBDRO CC(C)[NH2+]C1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820138626 599518176 /nfs/dbraw/zinc/51/81/76/599518176.db2.gz ZRFMSCRNVPLZPZ-UHFFFAOYSA-N 1 0 382.428 2.290 20 5 GEBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@@H]([NH+]4CCCCC4)C3)cc(-c3nn[nH]n3)c2c1 ZINC000823645244 599545436 /nfs/dbraw/zinc/54/54/36/599545436.db2.gz QKVQXWNRWMYFDF-CQSZACIVSA-N 1 0 394.439 2.388 20 5 GEBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000826498882 607451226 /nfs/dbraw/zinc/45/12/26/607451226.db2.gz NCFOPBJBLHVPFF-UHFFFAOYSA-N 1 0 379.424 2.487 20 5 GEBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822212997 606136326 /nfs/dbraw/zinc/13/63/26/606136326.db2.gz QBSAYCMICFASFJ-UHFFFAOYSA-N 1 0 379.424 2.406 20 5 GEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820761704 606470352 /nfs/dbraw/zinc/47/03/52/606470352.db2.gz YVQIGNFOCVSBMS-SUMWQHHRSA-N 1 0 394.439 2.492 20 5 GEBDRO Cc1ccc([C@H](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000822230565 606707042 /nfs/dbraw/zinc/70/70/42/606707042.db2.gz KBUBHGOVJBAHDY-ZDUSSCGKSA-N 1 0 384.400 2.320 20 5 GEBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000823621024 606707436 /nfs/dbraw/zinc/70/74/36/606707436.db2.gz VRWRVHBOWNSLMB-CQSZACIVSA-N 1 0 386.460 2.262 20 5 GEBDRO Cc1cccc(NC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(-c4nn[nH]n4)c3)C2)[nH+]1 ZINC000826299542 607841473 /nfs/dbraw/zinc/84/14/73/607841473.db2.gz KBJSTPCADIYMJA-ZDUSSCGKSA-N 1 0 380.412 2.417 20 5 GEBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000826497406 608243194 /nfs/dbraw/zinc/24/31/94/608243194.db2.gz GDXGCWXVFBSVOG-UHFFFAOYSA-N 1 0 380.412 2.498 20 5 GEBDRO O=[N+]([O-])c1ccc2nc(N3CCC[C@H]([NH+]4CCCC4)C3)cc(-c3nn[nH]n3)c2c1 ZINC000826499828 608370246 /nfs/dbraw/zinc/37/02/46/608370246.db2.gz ZKDKIQSBQZWGMV-AWEZNQCLSA-N 1 0 394.439 2.388 20 5 GEBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824585249 608462664 /nfs/dbraw/zinc/46/26/64/608462664.db2.gz OPFJQDJEXDDJCC-LBPRGKRZSA-N 1 0 381.396 2.454 20 5 GEBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCc2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000826282735 608554276 /nfs/dbraw/zinc/55/42/76/608554276.db2.gz BIICWZJLOYMGDS-ZDUSSCGKSA-N 1 0 395.423 2.050 20 5 GEBDRO Cn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361587 609337655 /nfs/dbraw/zinc/33/76/55/609337655.db2.gz DTRQAMKVPXBRNC-UHFFFAOYSA-N 1 0 390.407 2.465 20 5 GEBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000447024680 649994864 /nfs/dbraw/zinc/99/48/64/649994864.db2.gz AIXYNNOXQYFWCR-ZJUUUORDSA-N 1 0 392.275 2.118 20 5 GEBDRO C[C@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000462484180 650481658 /nfs/dbraw/zinc/48/16/58/650481658.db2.gz JJXCNZVYKXWGFU-GXSJLCMTSA-N 1 0 392.275 2.118 20 5 GEBDRO CC(C)(C)[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CS1 ZINC000488408896 650745846 /nfs/dbraw/zinc/74/58/46/650745846.db2.gz GBOPXRQKWQUSSL-SWLSCSKDSA-N 1 0 387.527 2.383 20 5 GEBDRO CCN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)CCC(F)(F)F ZINC000494431476 650808032 /nfs/dbraw/zinc/80/80/32/650808032.db2.gz PTWLSJDKQGFHKD-UHFFFAOYSA-N 1 0 383.392 2.456 20 5 GEBDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000103162146 643157829 /nfs/dbraw/zinc/15/78/29/643157829.db2.gz FHIHCJYYFILOCH-UHFFFAOYSA-N 1 0 392.275 2.074 20 5 GEBDRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119949184 643580979 /nfs/dbraw/zinc/58/09/79/643580979.db2.gz CZHDTLCRHYQVQA-UHFFFAOYSA-N 1 0 375.497 2.470 20 5 GEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000123023473 643663336 /nfs/dbraw/zinc/66/33/36/643663336.db2.gz GVPZTJQDJMMILJ-SKDRFNHKSA-N 1 0 392.275 2.248 20 5 GEBDRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000123069807 643664237 /nfs/dbraw/zinc/66/42/37/643664237.db2.gz AHWKYUNLCPFNMW-GXSJLCMTSA-N 1 0 392.275 2.248 20 5 GEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000540155402 650858173 /nfs/dbraw/zinc/85/81/73/650858173.db2.gz MAEBNDWQRKFLAS-OCCSQVGLSA-N 1 0 384.479 2.450 20 5 GEBDRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000124321475 643684731 /nfs/dbraw/zinc/68/47/31/643684731.db2.gz LFYDQIAELANTOV-VHSXEESVSA-N 1 0 392.275 2.105 20 5 GEBDRO CS[C@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000541062738 650870314 /nfs/dbraw/zinc/87/03/14/650870314.db2.gz VMLZHTPGJHDLRI-AAEUAGOBSA-N 1 0 375.397 2.314 20 5 GEBDRO COCCN(CC[NH+](C)C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155167705 644066601 /nfs/dbraw/zinc/06/66/01/644066601.db2.gz JXVCBJSOOLOFFP-UHFFFAOYSA-N 1 0 389.250 2.399 20 5 GEBDRO C[NH+](C)C1(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCOCC1 ZINC000177288303 644412911 /nfs/dbraw/zinc/41/29/11/644412911.db2.gz LISFODQKAQPUOX-UHFFFAOYSA-N 1 0 386.246 2.198 20 5 GEBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000178930967 644444693 /nfs/dbraw/zinc/44/46/93/644444693.db2.gz BKHLNTBTCFQZOZ-LLVKDONJSA-N 1 0 392.275 2.120 20 5 GEBDRO COc1cc(C[NH2+][C@H](C)C[S@@](C)=O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000184257142 645014015 /nfs/dbraw/zinc/01/40/15/645014015.db2.gz BBCQZLYGNYOXST-UVJXUPGXSA-N 1 0 384.376 2.401 20 5 GEBDRO [NH3+]C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C1CCCC1 ZINC000194775371 645348231 /nfs/dbraw/zinc/34/82/31/645348231.db2.gz UNYRPXIIBWJVJB-GFCCVEGCSA-N 1 0 392.275 2.153 20 5 GEBDRO C[NH2+]CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000237360448 645429179 /nfs/dbraw/zinc/42/91/79/645429179.db2.gz KCONOMITSVDNGA-UHFFFAOYSA-N 1 0 381.376 2.234 20 5 GEBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000237409437 645431083 /nfs/dbraw/zinc/43/10/83/645431083.db2.gz UHSDKWFKKOUABS-RKDXNWHRSA-N 1 0 389.193 2.151 20 5 GEBDRO [NH3+]C1(CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCCC1 ZINC000237846292 645445521 /nfs/dbraw/zinc/44/55/21/645445521.db2.gz BPRHFDLEZGXUQG-UHFFFAOYSA-N 1 0 392.275 2.297 20 5 GEBDRO [NH3+][C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261615219 645590399 /nfs/dbraw/zinc/59/03/99/645590399.db2.gz CRVLCYXYZFOIPU-GXTWGEPZSA-N 1 0 381.841 2.364 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261788649 645600248 /nfs/dbraw/zinc/60/02/48/645600248.db2.gz NKMDSOMZKMOTCV-CYBMUJFWSA-N 1 0 392.275 2.025 20 5 GEBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc([N+](=O)[O-])ccc2I)n1 ZINC000261864440 645607184 /nfs/dbraw/zinc/60/71/84/645607184.db2.gz UPVXECBSNJOHOH-ZETCQYMHSA-N 1 0 388.165 2.400 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N(C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000262737225 645643161 /nfs/dbraw/zinc/64/31/61/645643161.db2.gz HEGYLJZQMCBWPM-UHFFFAOYSA-N 1 0 394.291 2.271 20 5 GEBDRO CC[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266510136 645846759 /nfs/dbraw/zinc/84/67/59/645846759.db2.gz DCSNEMKFWKCMBP-OAHLLOKOSA-N 1 0 383.246 2.437 20 5 GEBDRO COCC[NH+]1CCC(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000267443257 645902901 /nfs/dbraw/zinc/90/29/01/645902901.db2.gz DCFCEIOKHGMRKU-UHFFFAOYSA-N 1 0 386.246 2.198 20 5 GEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267448275 645903450 /nfs/dbraw/zinc/90/34/50/645903450.db2.gz FDGWEAXPJLYYOT-LBPRGKRZSA-N 1 0 398.257 2.152 20 5 GEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000267448274 645903637 /nfs/dbraw/zinc/90/36/37/645903637.db2.gz FDGWEAXPJLYYOT-GFCCVEGCSA-N 1 0 398.257 2.152 20 5 GEBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000269469162 646037079 /nfs/dbraw/zinc/03/70/79/646037079.db2.gz KDPQZFAOLWMOKG-LLVKDONJSA-N 1 0 392.275 2.072 20 5 GEBDRO CS[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000330528118 647341968 /nfs/dbraw/zinc/34/19/68/647341968.db2.gz FCUGNVMHMLUCJM-STQMWFEESA-N 1 0 388.287 2.475 20 5 GEBDRO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000377888402 647872155 /nfs/dbraw/zinc/87/21/55/647872155.db2.gz JKGYULGDEGCYSY-JTQLQIEISA-N 1 0 377.825 2.246 20 5 GEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000378492943 647883139 /nfs/dbraw/zinc/88/31/39/647883139.db2.gz HZRKBTUANMKQTB-IAQYHMDHSA-N 1 0 382.258 2.452 20 5 GEBDRO O=[N+]([O-])c1cncc(I)c1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000418853255 648317762 /nfs/dbraw/zinc/31/77/62/648317762.db2.gz RXCKJGJDIASJGI-NXEZZACHSA-N 1 0 388.209 2.055 20 5 GEBDRO O=[N+]([O-])c1cncc(I)c1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000418853257 648317867 /nfs/dbraw/zinc/31/78/67/648317867.db2.gz RXCKJGJDIASJGI-UWVGGRQHSA-N 1 0 388.209 2.055 20 5 GEBDRO C[N@@H+]1CC[C@@]2(CCN(c3c(I)cncc3[N+](=O)[O-])C2)C1 ZINC000418954265 648325223 /nfs/dbraw/zinc/32/52/23/648325223.db2.gz NHFOAZWBJWJIRX-CYBMUJFWSA-N 1 0 388.209 2.126 20 5 GEBDRO Cc1c(Br)cc(C(=O)NC[C@](C)(O)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000420011380 648395528 /nfs/dbraw/zinc/39/55/28/648395528.db2.gz HXOHHMZQGBMFJR-OAHLLOKOSA-N 1 0 388.262 2.098 20 5 GEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000420370772 648414482 /nfs/dbraw/zinc/41/44/82/648414482.db2.gz PCJDJNOQVRGAOZ-FTGAXOIBSA-N 1 0 385.262 2.272 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000420449389 648417720 /nfs/dbraw/zinc/41/77/20/648417720.db2.gz GFKFECVLPRXUNO-ZJUUUORDSA-N 1 0 392.275 2.071 20 5 GEBDRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000420465903 648418671 /nfs/dbraw/zinc/41/86/71/648418671.db2.gz QSQPMYFEQXBTJD-LBPRGKRZSA-N 1 0 392.275 2.024 20 5 GEBDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420744571 648448439 /nfs/dbraw/zinc/44/84/39/648448439.db2.gz XPCSYXKOTCYWKT-LLVKDONJSA-N 1 0 381.376 2.328 20 5 GEBDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000420772738 648455343 /nfs/dbraw/zinc/45/53/43/648455343.db2.gz VANIGGWYWKFJIF-LLVKDONJSA-N 1 0 392.275 2.072 20 5 GEBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@@H]1CCC[N@@H+]1C ZINC000421016991 648462562 /nfs/dbraw/zinc/46/25/62/648462562.db2.gz YVRVABRJFJOFKU-LBPRGKRZSA-N 1 0 385.262 2.322 20 5 GEBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000423948614 648604563 /nfs/dbraw/zinc/60/45/63/648604563.db2.gz GCDPVSRTUUNAJH-LLVKDONJSA-N 1 0 391.209 2.303 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2nc3cc(Cl)ccc3s2)c1 ZINC000555903319 651232503 /nfs/dbraw/zinc/23/25/03/651232503.db2.gz KUTQLUHGEVFRBI-GFCCVEGCSA-N 1 0 381.845 2.248 20 5 GEBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000558490822 651280635 /nfs/dbraw/zinc/28/06/35/651280635.db2.gz IJMNCFJSFKJPNP-RYUDHWBXSA-N 1 0 376.194 2.448 20 5 GEBDRO C[C@@H]1CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000563102428 651510216 /nfs/dbraw/zinc/51/02/16/651510216.db2.gz ZGRZFVPTNJOQML-PRHODGIISA-N 1 0 389.193 2.009 20 5 GEBDRO C[C@H](CCC[NH3+])NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000566213891 651603599 /nfs/dbraw/zinc/60/35/99/651603599.db2.gz ACPJBQHTAAKDEO-MRVPVSSYSA-N 1 0 377.182 2.057 20 5 GEBDRO C[NH+](C)CCn1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000569589546 651719070 /nfs/dbraw/zinc/71/90/70/651719070.db2.gz LDTKAUOPTCWYGM-UHFFFAOYSA-N 1 0 382.218 2.368 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2cccc(Br)c2)c1 ZINC000570836327 651794816 /nfs/dbraw/zinc/79/48/16/651794816.db2.gz FWJVPFCDQCYDIA-SOUVJXGZSA-N 1 0 381.230 2.060 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@H](CO)C2CC2)c1 ZINC000573965457 651992002 /nfs/dbraw/zinc/99/20/02/651992002.db2.gz WCPSWPYCCSJDAH-LLVKDONJSA-N 1 0 376.194 2.308 20 5 GEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000574468507 652023963 /nfs/dbraw/zinc/02/39/63/652023963.db2.gz KUWICJNIPWTTDN-UHFFFAOYSA-N 1 0 396.245 2.676 20 5 GEBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000576872517 652150093 /nfs/dbraw/zinc/15/00/93/652150093.db2.gz RHCRQGFZPBDPIO-MRVPVSSYSA-N 1 0 391.209 2.093 20 5 GEBDRO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000577750404 652212966 /nfs/dbraw/zinc/21/29/66/652212966.db2.gz BYECVRLQGRUARS-OAHLLOKOSA-N 1 0 381.841 2.495 20 5 GEBDRO Cc1nc(-c2ccc(C[NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)s2)cs1 ZINC000580692650 652388640 /nfs/dbraw/zinc/38/86/40/652388640.db2.gz CWRIFQUXSISZPX-GFCCVEGCSA-N 1 0 379.467 2.435 20 5 GEBDRO Cc1cc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cnc1Cl ZINC000760664007 652620069 /nfs/dbraw/zinc/62/00/69/652620069.db2.gz QNDIKMIZKHKDEI-UHFFFAOYSA-N 1 0 384.845 2.020 20 5 GEBDRO COC1CC[NH+](CCNC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000760838062 652625735 /nfs/dbraw/zinc/62/57/35/652625735.db2.gz MULRJGOJQKQGTJ-UHFFFAOYSA-N 1 0 386.246 2.198 20 5 GEBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000765195903 652830309 /nfs/dbraw/zinc/83/03/09/652830309.db2.gz URYPKEKECGIHDJ-NXEZZACHSA-N 1 0 392.275 2.118 20 5 GEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000599104761 652850036 /nfs/dbraw/zinc/85/00/36/652850036.db2.gz XIRYYGBCHTUXHV-MNOVXSKESA-N 1 0 381.376 2.051 20 5 GEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000599103890 652850049 /nfs/dbraw/zinc/85/00/49/652850049.db2.gz UPYQNHYYYVMKQL-PWSUYJOCSA-N 1 0 381.376 2.051 20 5 GEBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000600112464 652904827 /nfs/dbraw/zinc/90/48/27/652904827.db2.gz MQVJUMJCMXQHMZ-LBPRGKRZSA-N 1 0 398.257 2.029 20 5 GEBDRO CS(=O)(=O)c1ccc(N(CC[NH3+])Cc2ccncc2Cl)c([N+](=O)[O-])c1 ZINC000600161410 652906393 /nfs/dbraw/zinc/90/63/93/652906393.db2.gz MRRRVBHDKUXWOO-UHFFFAOYSA-N 1 0 384.845 2.012 20 5 GEBDRO CS[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C[C@H]1[NH+](C)C ZINC000767314614 652919267 /nfs/dbraw/zinc/91/92/67/652919267.db2.gz HSVZQOJQVRFOHB-OLZOCXBDSA-N 1 0 393.918 2.223 20 5 GEBDRO O=[N+]([O-])c1nn(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Br ZINC000601959155 653133143 /nfs/dbraw/zinc/13/31/43/653133143.db2.gz OWTFKWPLBIEOBF-OAHLLOKOSA-N 1 0 381.230 2.191 20 5 GEBDRO O=[N+]([O-])c1nn(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Br ZINC000772828562 653168099 /nfs/dbraw/zinc/16/80/99/653168099.db2.gz MPRAMDWEXVEVRB-SMDDNHRTSA-N 1 0 384.278 2.460 20 5 GEBDRO COCC1(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000602491771 653186264 /nfs/dbraw/zinc/18/62/64/653186264.db2.gz NLANKRAOVULURH-UHFFFAOYSA-N 1 0 386.246 2.103 20 5 GEBDRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602510120 653187163 /nfs/dbraw/zinc/18/71/63/653187163.db2.gz KAHAGEWCSLOMMO-UHFFFAOYSA-N 1 0 383.392 2.375 20 5 GEBDRO [NH3+][C@H]1CC[C@H](NC(=O)c2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000602604058 653194036 /nfs/dbraw/zinc/19/40/36/653194036.db2.gz HYEIXOGHCBZZNQ-XYPYZODXSA-N 1 0 389.193 2.199 20 5 GEBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000701033655 653319195 /nfs/dbraw/zinc/31/91/95/653319195.db2.gz IOSCWAAIQDWUMU-LLVKDONJSA-N 1 0 391.209 2.303 20 5 GEBDRO CN(CC(=O)NC1CC([NH+](C)C)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000857228340 653301401 /nfs/dbraw/zinc/30/14/01/653301401.db2.gz JMNLSTOXUKXQGN-UHFFFAOYSA-N 1 0 385.262 2.002 20 5 GEBDRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809825864 653303306 /nfs/dbraw/zinc/30/33/06/653303306.db2.gz USDFMQPQHQKJND-JTQLQIEISA-N 1 0 397.856 2.022 20 5 GEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000700967847 653318724 /nfs/dbraw/zinc/31/87/24/653318724.db2.gz VGRZQLUSMIVTOF-RKDXNWHRSA-N 1 0 389.193 2.057 20 5 GEBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000701033656 653319156 /nfs/dbraw/zinc/31/91/56/653319156.db2.gz IOSCWAAIQDWUMU-NSHDSACASA-N 1 0 391.209 2.303 20 5 GEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@@H]2C1 ZINC000812338810 653423343 /nfs/dbraw/zinc/42/33/43/653423343.db2.gz QTLVEGQDWRFFMF-OLZOCXBDSA-N 1 0 382.258 2.310 20 5 GEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCn3cc(Br)cn3)CC2)cn1 ZINC000877519213 653610370 /nfs/dbraw/zinc/61/03/70/653610370.db2.gz PFXGBFAADWRXTM-UHFFFAOYSA-N 1 0 395.261 2.207 20 5 GEBDRO Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)C[NH+](C)C ZINC000813730658 653613032 /nfs/dbraw/zinc/61/30/32/653613032.db2.gz TXAILHAUYWZGHP-SECBINFHSA-N 1 0 394.291 2.142 20 5 GEBDRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)[C@@H]2C1 ZINC000813741037 653613822 /nfs/dbraw/zinc/61/38/22/653613822.db2.gz NFUMIOVIBCBWPG-QPUJVOFHSA-N 1 0 380.253 2.226 20 5 GEBDRO C[NH+](C)CC(C)(C)NC(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC000839441116 653649343 /nfs/dbraw/zinc/64/93/43/653649343.db2.gz IMZNEBDYQUZEGT-UHFFFAOYSA-N 1 0 391.209 2.269 20 5 GEBDRO COC(=O)[C@]12C[N@H+](Cc3cccc([N+](=O)[O-])c3Br)C[C@H]1COCC2 ZINC000839587378 653656411 /nfs/dbraw/zinc/65/64/11/653656411.db2.gz BMFICGIEPHYYNQ-BLLLJJGKSA-N 1 0 399.241 2.369 20 5 GEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)c1 ZINC000880219106 653700946 /nfs/dbraw/zinc/70/09/46/653700946.db2.gz VUSHJCYYVBXZLR-GASCZTMLSA-N 1 0 381.230 2.194 20 5 GEBDRO CC[NH2+]CCCNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841917308 653742606 /nfs/dbraw/zinc/74/26/06/653742606.db2.gz FAFWQHNDBNXIAR-UHFFFAOYSA-N 1 0 385.262 2.425 20 5 GEBDRO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842913160 653773484 /nfs/dbraw/zinc/77/34/84/653773484.db2.gz ALSBMEPZGNHBSR-OAHLLOKOSA-N 1 0 381.841 2.495 20 5 GEBDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C2)CC1 ZINC000882345638 653777251 /nfs/dbraw/zinc/77/72/51/653777251.db2.gz KJQINNSIFSFRSI-UHFFFAOYSA-N 1 0 391.852 2.494 20 5 GEBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000843429029 653786827 /nfs/dbraw/zinc/78/68/27/653786827.db2.gz QDGBEDYSYBSAHL-JTQLQIEISA-N 1 0 375.256 2.453 20 5 GEBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ncc(Br)cc1[N+](=O)[O-] ZINC000866258560 653789561 /nfs/dbraw/zinc/78/95/61/653789561.db2.gz YGZGIXXCIFLSSL-UHFFFAOYSA-N 1 0 385.262 2.301 20 5 GEBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC000822150553 653819662 /nfs/dbraw/zinc/81/96/62/653819662.db2.gz GZZBTADMERGKHB-NSHDSACASA-N 1 0 385.262 2.494 20 5 GEBDRO C[NH+](C)CC[C@@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000895327808 653827899 /nfs/dbraw/zinc/82/78/99/653827899.db2.gz CKVDYDVLZPIYKP-LLVKDONJSA-N 1 0 377.413 2.369 20 5 GEBDRO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000866803697 653828919 /nfs/dbraw/zinc/82/89/19/653828919.db2.gz YPJAKTWSABWDHV-UHFFFAOYSA-N 1 0 381.376 2.376 20 5 GEBDRO CC[N@@H+]1CCCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000822569608 653831771 /nfs/dbraw/zinc/83/17/71/653831771.db2.gz UVZRRYNQLNFLRV-JTQLQIEISA-N 1 0 385.262 2.496 20 5 GEBDRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000883474519 653841714 /nfs/dbraw/zinc/84/17/14/653841714.db2.gz USUCLKVCPJVBBX-LLVKDONJSA-N 1 0 392.275 2.120 20 5 GEBDRO [NH3+]CCC1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000846234942 653892755 /nfs/dbraw/zinc/89/27/55/653892755.db2.gz MXKQTAVXMKADKI-UHFFFAOYSA-N 1 0 392.275 2.107 20 5 GEBDRO CN(CC(=O)N(C)C1CC[NH+](C)CC1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000794605855 653913356 /nfs/dbraw/zinc/91/33/56/653913356.db2.gz STYSWPAKDGTANY-UHFFFAOYSA-N 1 0 399.289 2.346 20 5 GEBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000867349347 653919878 /nfs/dbraw/zinc/91/98/78/653919878.db2.gz QUECHBKBRQFWDX-UHFFFAOYSA-N 1 0 379.841 2.492 20 5 GEBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000867810116 653990982 /nfs/dbraw/zinc/99/09/82/653990982.db2.gz XDBDAFCRTIGOMO-SKDRFNHKSA-N 1 0 377.825 2.102 20 5 GEBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000828122469 654025072 /nfs/dbraw/zinc/02/50/72/654025072.db2.gz NADLNXLVCGMTGX-HIFRSBDPSA-N 1 0 381.479 2.280 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CC(Cc3ccc(Br)cc3)C2)c1 ZINC000899898316 654036126 /nfs/dbraw/zinc/03/61/26/654036126.db2.gz FLTRCYVVTGVIAL-MRXNPFEDSA-N 1 0 395.257 2.089 20 5 GEBDRO Cc1cc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)n1 ZINC000797598108 654037132 /nfs/dbraw/zinc/03/71/32/654037132.db2.gz OBZDLYKQNQIWBT-UHFFFAOYSA-N 1 0 384.845 2.020 20 5 GEBDRO C[NH+]1CCC(OCC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000829296556 654064097 /nfs/dbraw/zinc/06/40/97/654064097.db2.gz JZMZBPJCTWCKOC-UHFFFAOYSA-N 1 0 386.246 2.084 20 5 GEBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000869778564 654122529 /nfs/dbraw/zinc/12/25/29/654122529.db2.gz DMZGAENDUWQGGA-LBPRGKRZSA-N 1 0 387.889 2.302 20 5 GEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889767607 654170464 /nfs/dbraw/zinc/17/04/64/654170464.db2.gz IDIOFLUYUMKGOW-ZIAGYGMSSA-N 1 0 398.257 2.029 20 5 GEBDRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000851994355 654211164 /nfs/dbraw/zinc/21/11/64/654211164.db2.gz SORBKNAOUKCJJN-AWEZNQCLSA-N 1 0 376.350 2.013 20 5 GEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2(n3cc(Br)cn3)CC2)cc1 ZINC000905586470 654368266 /nfs/dbraw/zinc/36/82/66/654368266.db2.gz KUVGJJJYRBNSSK-AWEZNQCLSA-N 1 0 381.230 2.366 20 5 GEBDRO Cn1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c(I)n1 ZINC000894298280 654463318 /nfs/dbraw/zinc/46/33/18/654463318.db2.gz IVMQMWCIVNJFBZ-UHFFFAOYSA-N 1 0 386.193 2.265 20 5 GEBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000907554170 654557350 /nfs/dbraw/zinc/55/73/50/654557350.db2.gz LDVNEUNFUJNXKY-OTYXRUKQSA-N 1 0 394.280 2.474 20 5 GEBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C[C@]2(C)C1 ZINC000907565400 654558528 /nfs/dbraw/zinc/55/85/28/654558528.db2.gz UMBCOZCMTQGYJP-OTYXRUKQSA-N 1 0 394.280 2.474 20 5 GEBDRO CC[N@H+](CCC(=O)NC)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000933862721 654828634 /nfs/dbraw/zinc/82/86/34/654828634.db2.gz MWJIEKLIUZIRQR-UHFFFAOYSA-N 1 0 391.209 2.157 20 5 GEBDRO O=[N+]([O-])c1cc(CN2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)ccc1Br ZINC000934266657 654841614 /nfs/dbraw/zinc/84/16/14/654841614.db2.gz UDGYPRGCQBCKEC-HUUCEWRRSA-N 1 0 384.274 2.388 20 5 GEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@](C)(CO)c1cccc(Br)c1 ZINC000934494470 654851007 /nfs/dbraw/zinc/85/10/07/654851007.db2.gz PJUSVHVVKLAJDX-OAHLLOKOSA-N 1 0 383.246 2.360 20 5 GEBDRO Cc1ccnc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1[N+](=O)[O-] ZINC001164811720 720215708 /nfs/dbraw/zinc/21/57/08/720215708.db2.gz JVQNAYVVIYENFF-UHFFFAOYSA-N 1 0 386.456 2.105 20 5 GEBDRO Cc1cnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001164821630 720291374 /nfs/dbraw/zinc/29/13/74/720291374.db2.gz LPAMWXFDJPUXTP-IAGOWNOFSA-N 1 0 387.484 2.210 20 5 GEBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncc([N+](=O)[O-])cc2F)CC1 ZINC001164818588 720310892 /nfs/dbraw/zinc/31/08/92/720310892.db2.gz ALZIQRGSZQKAHB-IRXDYDNUSA-N 1 0 391.447 2.040 20 5 GEBDRO COC(=O)c1cnc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001164723578 720360655 /nfs/dbraw/zinc/36/06/55/720360655.db2.gz IAACNQMAYGTLCE-HOTGVXAUSA-N 1 0 383.408 2.025 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164733434 720550955 /nfs/dbraw/zinc/55/09/55/720550955.db2.gz NDBCPQIQHDIMSV-UHFFFAOYSA-N 1 0 376.848 2.498 20 5 GEBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c2ccccc21 ZINC001164744347 720682355 /nfs/dbraw/zinc/68/23/55/720682355.db2.gz ZKUVMXKMKJJKFK-LSDHHAIUSA-N 1 0 392.419 2.275 20 5 GEBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc4cccc([N+](=O)[O-])c4n3)CC[C@H]2C1 ZINC001164851845 720852242 /nfs/dbraw/zinc/85/22/42/720852242.db2.gz IDQNWBWMSRFQIL-WMZOPIPTSA-N 1 0 386.452 2.317 20 5 GEBDRO COc1ncnc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c1[N+](=O)[O-] ZINC001164862980 720960314 /nfs/dbraw/zinc/96/03/14/720960314.db2.gz XNHJTBGLQIGLDW-LBPRGKRZSA-N 1 0 375.433 2.011 20 5 GEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164894116 721383222 /nfs/dbraw/zinc/38/32/22/721383222.db2.gz XTCAJQJVQUHZDS-QUCCMNQESA-N 1 0 389.500 2.064 20 5 GEBDRO Cc1ccnc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164892254 721393764 /nfs/dbraw/zinc/39/37/64/721393764.db2.gz SKEVJBARBNKJDW-PXNSSMCTSA-N 1 0 389.500 2.064 20 5 GEBDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001164920953 721849433 /nfs/dbraw/zinc/84/94/33/721849433.db2.gz MCUQBPBAQSRSAM-QWHCGFSZSA-N 1 0 389.834 2.403 20 5 GEBDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001164928088 721855048 /nfs/dbraw/zinc/85/50/48/721855048.db2.gz NGJMVBMQCDURDT-VXGBXAGGSA-N 1 0 389.834 2.403 20 5 GEBDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001164934370 721877434 /nfs/dbraw/zinc/87/74/34/721877434.db2.gz QVBGUXCPQHQVKE-OALUTQOASA-N 1 0 382.468 2.266 20 5 GEBDRO CC(C)(C)[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000153830575 531609916 /nfs/dbraw/zinc/60/99/16/531609916.db2.gz QPHMUGXYYZJOFK-UHFFFAOYSA-N 1 0 391.209 2.317 20 5 GEBDRO O=C(COc1c(Br)cccc1[N+](=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000122825086 532084134 /nfs/dbraw/zinc/08/41/34/532084134.db2.gz FFSXSEZVYXUTRQ-UHFFFAOYSA-N 1 0 398.257 2.479 20 5 GEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000181633701 532303821 /nfs/dbraw/zinc/30/38/21/532303821.db2.gz NJEJRPXAKOYLJQ-GXTWGEPZSA-N 1 0 384.479 2.450 20 5 GEBDRO C[NH+]1CCN(CCCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000181800516 532306809 /nfs/dbraw/zinc/30/68/09/532306809.db2.gz WPFVGMHXMXAZEI-UHFFFAOYSA-N 1 0 386.905 2.094 20 5 GEBDRO C[C@H](Cc1ccsc1)N(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000558416345 532390526 /nfs/dbraw/zinc/39/05/26/532390526.db2.gz PGLZUDGAIQLNJR-GFCCVEGCSA-N 1 0 383.495 2.456 20 5 GEBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000591669567 532418483 /nfs/dbraw/zinc/41/84/83/532418483.db2.gz ZBXVHESEVXFCGI-VIFPVBQESA-N 1 0 389.193 2.071 20 5 GEBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Br)c1 ZINC000591732561 532422028 /nfs/dbraw/zinc/42/20/28/532422028.db2.gz RBCMLZMBISTXJD-OAHLLOKOSA-N 1 0 397.273 2.482 20 5 GEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H](CO)C[NH+]1CCCCC1 ZINC000561687443 532446056 /nfs/dbraw/zinc/44/60/56/532446056.db2.gz SUJXXJGCRCBFHI-CYBMUJFWSA-N 1 0 387.889 2.303 20 5 GEBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000592340643 532450907 /nfs/dbraw/zinc/45/09/07/532450907.db2.gz IJNYOXLSJDEPFK-CABCVRRESA-N 1 0 398.257 2.326 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000592381507 532452976 /nfs/dbraw/zinc/45/29/76/532452976.db2.gz ROVRSRYOTXYLKK-KWQFWETISA-N 1 0 380.253 2.274 20 5 GEBDRO CC[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592382865 532453041 /nfs/dbraw/zinc/45/30/41/532453041.db2.gz SUNGHKBHFJEQNT-ONGXEEELSA-N 1 0 381.376 2.362 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000592381505 532453177 /nfs/dbraw/zinc/45/31/77/532453177.db2.gz ROVRSRYOTXYLKK-GZMMTYOYSA-N 1 0 380.253 2.274 20 5 GEBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000519765187 532478549 /nfs/dbraw/zinc/47/85/49/532478549.db2.gz UDFOZVKKAKLYKQ-VXGBXAGGSA-N 1 0 389.193 2.199 20 5 GEBDRO CCC([NH3+])(CC)CNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000236812333 532499205 /nfs/dbraw/zinc/49/92/05/532499205.db2.gz PCPBKIDZJFRSRK-UHFFFAOYSA-N 1 0 391.209 2.447 20 5 GEBDRO C[NH2+]C[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000430619133 532501935 /nfs/dbraw/zinc/50/19/35/532501935.db2.gz ZJIHQPDLWLIMKF-NSHDSACASA-N 1 0 385.262 2.227 20 5 GEBDRO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000432337332 532535633 /nfs/dbraw/zinc/53/56/33/532535633.db2.gz BAUSFPADUFRDOG-LBPRGKRZSA-N 1 0 391.877 2.027 20 5 GEBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000565002347 532542979 /nfs/dbraw/zinc/54/29/79/532542979.db2.gz FOFBMOXTYSPYPS-HTQZYQBOSA-N 1 0 377.182 2.055 20 5 GEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000375048770 532529758 /nfs/dbraw/zinc/52/97/58/532529758.db2.gz ZSEDUOARTYXKTK-DGCLKSJQSA-N 1 0 398.257 2.259 20 5 GEBDRO O=C(CN1CC[N@@H+]2CCCC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000248371237 532552055 /nfs/dbraw/zinc/55/20/55/532552055.db2.gz YLAPODWJUZGKAC-ZDUSSCGKSA-N 1 0 397.273 2.466 20 5 GEBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000595353749 532560004 /nfs/dbraw/zinc/56/00/04/532560004.db2.gz KBGHYBVMDGMYQJ-LLVKDONJSA-N 1 0 392.275 2.120 20 5 GEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000284300663 532586422 /nfs/dbraw/zinc/58/64/22/532586422.db2.gz JKIKRBWGMWFVJF-LLVKDONJSA-N 1 0 399.289 2.031 20 5 GEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000566100643 532593175 /nfs/dbraw/zinc/59/31/75/532593175.db2.gz AQPKUXDXJOJSIU-BDAKNGLRSA-N 1 0 389.193 2.009 20 5 GEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000375751936 532580567 /nfs/dbraw/zinc/58/05/67/532580567.db2.gz YREZZNMIMYHFOO-CQSZACIVSA-N 1 0 381.479 2.457 20 5 GEBDRO CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc(Br)c([N+](=O)[O-])c2)[N@H+](C)C1 ZINC000284594875 532604558 /nfs/dbraw/zinc/60/45/58/532604558.db2.gz JFSRMRDHLYYBEA-RYUDHWBXSA-N 1 0 386.246 2.148 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000474175064 532609317 /nfs/dbraw/zinc/60/93/17/532609317.db2.gz LWYUGEQPOMTYBY-RKDXNWHRSA-N 1 0 392.275 2.037 20 5 GEBDRO C[NH+](C)C1(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CCOCC1 ZINC000599502001 532663330 /nfs/dbraw/zinc/66/33/30/532663330.db2.gz OURBCJPIUOFSRF-UHFFFAOYSA-N 1 0 386.246 2.198 20 5 GEBDRO COc1c[nH+]ccc1N1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000481059512 532665260 /nfs/dbraw/zinc/66/52/60/532665260.db2.gz MZJKNSMHBLKLDL-UHFFFAOYSA-N 1 0 394.229 2.483 20 5 GEBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000603402087 532694433 /nfs/dbraw/zinc/69/44/33/532694433.db2.gz MFPICBZJLSMADP-LLVKDONJSA-N 1 0 385.262 2.442 20 5 GEBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000378290791 532689614 /nfs/dbraw/zinc/68/96/14/532689614.db2.gz YRUPCXFQMQXAQZ-NEPJUHHUSA-N 1 0 399.245 2.342 20 5 GEBDRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000440358154 532712236 /nfs/dbraw/zinc/71/22/36/532712236.db2.gz TWNOIMZTXDTNFZ-SECBINFHSA-N 1 0 392.275 2.105 20 5 GEBDRO C[C@@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000440358312 532712427 /nfs/dbraw/zinc/71/24/27/532712427.db2.gz NGNGJTVMKZRMMV-NXEZZACHSA-N 1 0 392.275 2.024 20 5 GEBDRO C[NH+](C)[C@]1(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CCSC1 ZINC000267035481 532732764 /nfs/dbraw/zinc/73/27/64/532732764.db2.gz BQQVZICBSGBVFT-AWEZNQCLSA-N 1 0 395.453 2.440 20 5 GEBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)c(Br)c1 ZINC000301560296 532755280 /nfs/dbraw/zinc/75/52/80/532755280.db2.gz KDILMMHOXQMRGD-VXGBXAGGSA-N 1 0 385.262 2.178 20 5 GEBDRO C[C@@H]1C[N@@H+](C2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)CCO1 ZINC000301629780 532756593 /nfs/dbraw/zinc/75/65/93/532756593.db2.gz AZXPFMUTLVSXJE-LLVKDONJSA-N 1 0 385.262 2.442 20 5 GEBDRO O=[N+]([O-])c1cncc(Br)c1N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000301873202 532761186 /nfs/dbraw/zinc/76/11/86/532761186.db2.gz HVBKQPCFPRDGKH-UHFFFAOYSA-N 1 0 385.262 2.443 20 5 GEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1SC ZINC000270412610 532797943 /nfs/dbraw/zinc/79/79/43/532797943.db2.gz BLLAAZKAQGOFGQ-SWLSCSKDSA-N 1 0 385.511 2.443 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000287907793 532813241 /nfs/dbraw/zinc/81/32/41/532813241.db2.gz ZYZZSLNCJNGELN-MFKMUULPSA-N 1 0 382.360 2.068 20 5 GEBDRO COc1cc(C[NH2+]C[C@@](C)(O)CSC)c([N+](=O)[O-])cc1OCC(F)F ZINC000272411188 532815231 /nfs/dbraw/zinc/81/52/31/532815231.db2.gz LAAGQGYXWJATMH-OAHLLOKOSA-N 1 0 380.413 2.451 20 5 GEBDRO C[NH+](C)[C@H]1CCCN(c2c(I)cncc2[N+](=O)[O-])C1 ZINC000418922631 532881868 /nfs/dbraw/zinc/88/18/68/532881868.db2.gz DQQFAASUDVZIPJ-VIFPVBQESA-N 1 0 376.198 2.125 20 5 GEBDRO CC(C)(CC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000424048562 532895091 /nfs/dbraw/zinc/89/50/91/532895091.db2.gz RDEWXHRYFHBGJF-UHFFFAOYSA-N 1 0 377.182 2.057 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)c(C(F)(F)F)c1 ZINC000367833019 532927874 /nfs/dbraw/zinc/92/78/74/532927874.db2.gz QKHVCJNFJUFRBX-LBPRGKRZSA-N 1 0 379.360 2.034 20 5 GEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@H]21 ZINC000368483073 532932847 /nfs/dbraw/zinc/93/28/47/532932847.db2.gz QKAZICKYZYJNQJ-UXIGCNINSA-N 1 0 382.258 2.486 20 5 GEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)[C@H]2C1 ZINC000293930995 532933531 /nfs/dbraw/zinc/93/35/31/532933531.db2.gz PTHQALOGTGLDOB-LSDHHAIUSA-N 1 0 398.257 2.293 20 5 GEBDRO Cc1ccnc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1[N+](=O)[O-] ZINC000737437696 599041873 /nfs/dbraw/zinc/04/18/73/599041873.db2.gz PTBQCGSHANPQLM-UHFFFAOYSA-N 1 0 394.439 2.191 20 5 GEBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821614722 599081543 /nfs/dbraw/zinc/08/15/43/599081543.db2.gz SBEFCPXXSCNVJA-INIZCTEOSA-N 1 0 379.424 2.486 20 5 GEBDRO O=[N+]([O-])c1ccc2nc(NC[C@@H]3CC[N@@H+](C4CC4)C3)cc(-c3nn[nH]n3)c2c1 ZINC000738366110 599273629 /nfs/dbraw/zinc/27/36/29/599273629.db2.gz CODYISVNDOGRQX-NSHDSACASA-N 1 0 380.412 2.219 20 5 GEBDRO Cc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1[N+](=O)[O-] ZINC000737343555 598466537 /nfs/dbraw/zinc/46/65/37/598466537.db2.gz XSEVNDNWNWFVMM-UHFFFAOYSA-N 1 0 394.439 2.237 20 5 GEBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000820409910 599386200 /nfs/dbraw/zinc/38/62/00/599386200.db2.gz BXRQFZNEKFVHBA-NWDGAFQWSA-N 1 0 381.396 2.453 20 5 GEBDRO O=[N+]([O-])c1ccc2nc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc(-c3nn[nH]n3)c2c1 ZINC000823645542 599483541 /nfs/dbraw/zinc/48/35/41/599483541.db2.gz TUJJSJWUSOFKCK-RYUDHWBXSA-N 1 0 380.412 2.362 20 5 GEBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@H]([NH+]4CCCCC4)C3)cc(-c3nn[nH]n3)c2c1 ZINC000823645241 599545549 /nfs/dbraw/zinc/54/55/49/599545549.db2.gz QKVQXWNRWMYFDF-AWEZNQCLSA-N 1 0 394.439 2.388 20 5 GEBDRO CN(c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821618964 606044096 /nfs/dbraw/zinc/04/40/96/606044096.db2.gz CYPZQQNDRHHILE-HNNXBMFYSA-N 1 0 394.439 2.271 20 5 GEBDRO CN(c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821618965 606045301 /nfs/dbraw/zinc/04/53/01/606045301.db2.gz CYPZQQNDRHHILE-OAHLLOKOSA-N 1 0 394.439 2.271 20 5 GEBDRO CC(C)OCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000820145606 606163550 /nfs/dbraw/zinc/16/35/50/606163550.db2.gz BYOYHMMOEWHXOK-UHFFFAOYSA-N 1 0 375.433 2.076 20 5 GEBDRO O=[N+]([O-])c1cc(N2CCC[N@H+](Cc3ccccc3)CC2)ccc1-c1nn[nH]n1 ZINC000823634759 606645341 /nfs/dbraw/zinc/64/53/41/606645341.db2.gz LRHHXOZKSOECAL-UHFFFAOYSA-N 1 0 379.424 2.487 20 5 GEBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820571104 606700533 /nfs/dbraw/zinc/70/05/33/606700533.db2.gz VWPYRKLWPUEQCG-TZMCWYRMSA-N 1 0 380.412 2.417 20 5 GEBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821597862 606713346 /nfs/dbraw/zinc/71/33/46/606713346.db2.gz JXJBHCAMKNKMLQ-HNNXBMFYSA-N 1 0 394.439 2.128 20 5 GEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000820225838 607056437 /nfs/dbraw/zinc/05/64/37/607056437.db2.gz QIANGHZLIVTHOO-LLVKDONJSA-N 1 0 399.386 2.421 20 5 GEBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000826283507 608554089 /nfs/dbraw/zinc/55/40/89/608554089.db2.gz SPJODHSVZGLWPP-BBRMVZONSA-N 1 0 398.423 2.174 20 5 GEBDRO [NH3+]C[C@@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000447249158 650003661 /nfs/dbraw/zinc/00/36/61/650003661.db2.gz UDRDPCGZIMPPLV-CYBMUJFWSA-N 1 0 392.275 2.153 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCC2(CO)CC2)c1 ZINC000449580844 650042871 /nfs/dbraw/zinc/04/28/71/650042871.db2.gz UUUXLYVXWQICQM-UHFFFAOYSA-N 1 0 376.194 2.452 20 5 GEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000449717306 650047559 /nfs/dbraw/zinc/04/75/59/650047559.db2.gz MRKSKIMBROLIDD-IUCAKERBSA-N 1 0 389.193 2.057 20 5 GEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]CCc2ccc(Cl)cc2)c1 ZINC000459382512 650423514 /nfs/dbraw/zinc/42/35/14/650423514.db2.gz FPAFGCGCZUNYGY-UHFFFAOYSA-N 1 0 383.857 2.359 20 5 GEBDRO CNS(=O)(=O)c1ccc(NC[C@@H](c2ccsc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000045733255 642594577 /nfs/dbraw/zinc/59/45/77/642594577.db2.gz ZMUMBWVMLMVJSV-HNNXBMFYSA-N 1 0 384.483 2.279 20 5 GEBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000535022151 650783079 /nfs/dbraw/zinc/78/30/79/650783079.db2.gz BBKGOCNKTWESTC-SECBINFHSA-N 1 0 391.209 2.269 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)s1 ZINC000064245430 642871917 /nfs/dbraw/zinc/87/19/17/642871917.db2.gz SXKHGBHTWHRIFK-UHFFFAOYSA-N 1 0 381.479 2.383 20 5 GEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000536694412 650805247 /nfs/dbraw/zinc/80/52/47/650805247.db2.gz QDEVOGSYRHVFHB-QWRGUYRKSA-N 1 0 385.262 2.320 20 5 GEBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000116347571 643458800 /nfs/dbraw/zinc/45/88/00/643458800.db2.gz JRUKFYZNZWAPRT-SNVBAGLBSA-N 1 0 392.275 2.072 20 5 GEBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000124539310 643688088 /nfs/dbraw/zinc/68/80/88/643688088.db2.gz REXKXVHQBOFHOE-CABZTGNLSA-N 1 0 392.275 2.153 20 5 GEBDRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000124943791 643694904 /nfs/dbraw/zinc/69/49/04/643694904.db2.gz XLPRANCFYVLEHF-ZDUSSCGKSA-N 1 0 394.291 2.351 20 5 GEBDRO C[NH+](C)CCOc1cc(CNc2c(Br)cncc2[N+](=O)[O-])ccn1 ZINC000499644437 650889572 /nfs/dbraw/zinc/88/95/72/650889572.db2.gz HDYQFPCOKCNXCN-UHFFFAOYSA-N 1 0 396.245 2.122 20 5 GEBDRO Cc1c(Br)cc(C(=O)NCCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000163079858 644247561 /nfs/dbraw/zinc/24/75/61/644247561.db2.gz UWYDPRQLTDLMFP-UHFFFAOYSA-N 1 0 399.289 2.033 20 5 GEBDRO C[C@@H](CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000170787980 644287199 /nfs/dbraw/zinc/28/71/99/644287199.db2.gz BLPKXXZJIBOTAJ-VIFPVBQESA-N 1 0 392.275 2.118 20 5 GEBDRO CC(C)(C)[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000174242343 644371224 /nfs/dbraw/zinc/37/12/24/644371224.db2.gz IRLBXTJPGXYULL-UHFFFAOYSA-N 1 0 391.209 2.317 20 5 GEBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000178929680 644444534 /nfs/dbraw/zinc/44/45/34/644444534.db2.gz FRUILCFBSQXAGG-JTQLQIEISA-N 1 0 392.275 2.120 20 5 GEBDRO CC[NH+]1CCN([C@@H]2CCN(c3ncc([N+](=O)[O-])c(C)c3Br)C2)CC1 ZINC000544395483 650941059 /nfs/dbraw/zinc/94/10/59/650941059.db2.gz XPSNXHPFVBNVFS-CYBMUJFWSA-N 1 0 398.305 2.277 20 5 GEBDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000193718095 645293595 /nfs/dbraw/zinc/29/35/95/645293595.db2.gz WNTPMVXTFYRCDR-UHFFFAOYSA-N 1 0 394.291 2.223 20 5 GEBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000194189718 645315266 /nfs/dbraw/zinc/31/52/66/645315266.db2.gz WWIJCQQXZJVDOE-LLVKDONJSA-N 1 0 392.275 2.120 20 5 GEBDRO C[C@@H]1CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000237473452 645433284 /nfs/dbraw/zinc/43/32/84/645433284.db2.gz SSSALKVADSPMLJ-RKDXNWHRSA-N 1 0 389.193 2.022 20 5 GEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCC[NH2+]Cc1cccnc1 ZINC000237851728 645445437 /nfs/dbraw/zinc/44/54/37/645445437.db2.gz ANQQVPMXITUYFL-UHFFFAOYSA-N 1 0 384.845 2.101 20 5 GEBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000237957067 645448649 /nfs/dbraw/zinc/44/86/49/645448649.db2.gz BHMNHPRXVBJXNP-SNVBAGLBSA-N 1 0 389.193 2.153 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262241967 645622015 /nfs/dbraw/zinc/62/20/15/645622015.db2.gz PEARJFIKXCOBIB-CQSZACIVSA-N 1 0 381.841 2.414 20 5 GEBDRO CC[N@@H+](Cc1ccccc1Br)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266536745 645848138 /nfs/dbraw/zinc/84/81/38/645848138.db2.gz OQMFZFGWFVFTOV-CQSZACIVSA-N 1 0 383.246 2.437 20 5 GEBDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000268781372 645998633 /nfs/dbraw/zinc/99/86/33/645998633.db2.gz KLQVZEDJBVBIHL-NSHDSACASA-N 1 0 392.275 2.072 20 5 GEBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000270953234 646157268 /nfs/dbraw/zinc/15/72/68/646157268.db2.gz MKBZNZLVZVUXOI-CYBMUJFWSA-N 1 0 398.305 2.359 20 5 GEBDRO C[C@@H]1[NH2+]CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)[C@H]1C ZINC000277453092 646423516 /nfs/dbraw/zinc/42/35/16/646423516.db2.gz GPHABGXCWMVCRZ-IUCAKERBSA-N 1 0 389.193 2.022 20 5 GEBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000277453086 646423538 /nfs/dbraw/zinc/42/35/38/646423538.db2.gz GPHABGXCWMVCRZ-DTWKUNHWSA-N 1 0 389.193 2.022 20 5 GEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(Br)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000297973354 647268922 /nfs/dbraw/zinc/26/89/22/647268922.db2.gz WOEJUAGKXQSDKU-LSDHHAIUSA-N 1 0 398.257 2.293 20 5 GEBDRO CS[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C[C@@H]1[NH+]1CCCC1 ZINC000332071652 647409934 /nfs/dbraw/zinc/40/99/34/647409934.db2.gz CNDXOWBQAVHIQZ-GJZGRUSLSA-N 1 0 385.511 2.104 20 5 GEBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1c(I)cncc1[N+](=O)[O-] ZINC000418962435 648326022 /nfs/dbraw/zinc/32/60/22/648326022.db2.gz GYDNYKJSJXMPNJ-SECBINFHSA-N 1 0 378.214 2.157 20 5 GEBDRO CC1(C)C[NH2+]CC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000420365827 648414712 /nfs/dbraw/zinc/41/47/12/648414712.db2.gz LRROOZUKALQLFE-CYBMUJFWSA-N 1 0 385.262 2.274 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000420449843 648417486 /nfs/dbraw/zinc/41/74/86/648417486.db2.gz OFHSYAOSVWNQIK-GFCCVEGCSA-N 1 0 394.291 2.317 20 5 GEBDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425420389 648675770 /nfs/dbraw/zinc/67/57/70/648675770.db2.gz SBQSIIWKFXJAOU-CQSZACIVSA-N 1 0 375.219 2.415 20 5 GEBDRO CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CC[NH2+]C1 ZINC000430945915 648771157 /nfs/dbraw/zinc/77/11/57/648771157.db2.gz YPBKXSLLXGXUEA-GFCCVEGCSA-N 1 0 385.262 2.370 20 5 GEBDRO O=[N+]([O-])c1cccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000441357624 648825870 /nfs/dbraw/zinc/82/58/70/648825870.db2.gz MURBEHRCZQFNSC-UHFFFAOYSA-N 1 0 387.820 2.455 20 5 GEBDRO COCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000550277585 651108449 /nfs/dbraw/zinc/10/84/49/651108449.db2.gz ASTNIDXKTKXETK-UHFFFAOYSA-N 1 0 388.262 2.364 20 5 GEBDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000558764289 651284561 /nfs/dbraw/zinc/28/45/61/651284561.db2.gz JTFRNVBBQNRCDI-UHFFFAOYSA-N 1 0 396.245 2.284 20 5 GEBDRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000567850829 651638095 /nfs/dbraw/zinc/63/80/95/651638095.db2.gz LMBAQNCPPHFVEK-SECBINFHSA-N 1 0 381.376 2.362 20 5 GEBDRO C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000567851600 651638105 /nfs/dbraw/zinc/63/81/05/651638105.db2.gz REHYYMAHSARIPQ-NXEZZACHSA-N 1 0 381.376 2.280 20 5 GEBDRO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000731967729 651641315 /nfs/dbraw/zinc/64/13/15/651641315.db2.gz PIOVKSQJBFESFD-JTQLQIEISA-N 1 0 375.397 2.487 20 5 GEBDRO COC1CC[NH+](CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000610573073 651671576 /nfs/dbraw/zinc/67/15/76/651671576.db2.gz UEHDAZVSQVTIPJ-UHFFFAOYSA-N 1 0 386.246 2.198 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C/C=C/c2ccc(Br)cc2)c1 ZINC000571790886 651854010 /nfs/dbraw/zinc/85/40/10/651854010.db2.gz GLJWDVZHTKTDGQ-YLSAJCSVSA-N 1 0 381.230 2.218 20 5 GEBDRO O=[N+]([O-])c1cncc(Br)c1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000572015078 651867829 /nfs/dbraw/zinc/86/78/29/651867829.db2.gz JWGRWXZZTMXIJS-LBPRGKRZSA-N 1 0 385.262 2.443 20 5 GEBDRO O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000572134601 651875237 /nfs/dbraw/zinc/87/52/37/651875237.db2.gz CRORLZSUQYSIAX-ZDUSSCGKSA-N 1 0 385.262 2.443 20 5 GEBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[N@@H+]1C ZINC000742308939 651978131 /nfs/dbraw/zinc/97/81/31/651978131.db2.gz MNUBXNDIPXVMAX-UWVGGRQHSA-N 1 0 392.275 2.118 20 5 GEBDRO CSC1(CNc2c(Br)cncc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000574127440 652002441 /nfs/dbraw/zinc/00/24/41/652002441.db2.gz DJVRAWOUPGQSSW-UHFFFAOYSA-N 1 0 375.292 2.414 20 5 GEBDRO CN(CC(C)(C)C[NH3+])C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000579110586 652317952 /nfs/dbraw/zinc/31/79/52/652317952.db2.gz RUCSZJOYFCVSDH-UHFFFAOYSA-N 1 0 391.209 2.256 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000583625980 652491741 /nfs/dbraw/zinc/49/17/41/652491741.db2.gz ALEMJDGVTRNKLQ-CJNGLKHVSA-N 1 0 386.495 2.013 20 5 GEBDRO CSC1(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000589296208 652565023 /nfs/dbraw/zinc/56/50/23/652565023.db2.gz PQWSJIASYJQJJG-UHFFFAOYSA-N 1 0 393.918 2.354 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)NCC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000594817538 652686864 /nfs/dbraw/zinc/68/68/64/652686864.db2.gz SISCTTUBNMWMDZ-VIFPVBQESA-N 1 0 394.291 2.284 20 5 GEBDRO O=[N+]([O-])c1cc(Br)ccc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595864220 652739742 /nfs/dbraw/zinc/73/97/42/652739742.db2.gz RCVQXJVRELDBCO-OAHLLOKOSA-N 1 0 384.274 2.388 20 5 GEBDRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C2 ZINC000598725341 652831580 /nfs/dbraw/zinc/83/15/80/652831580.db2.gz OABCGGAVFWBRJW-NOZJJQNGSA-N 1 0 379.360 2.116 20 5 GEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000599102887 652849577 /nfs/dbraw/zinc/84/95/77/652849577.db2.gz QTDAZQWKSAMGQE-CMPLNLGQSA-N 1 0 381.376 2.051 20 5 GEBDRO O=[N+]([O-])c1cncc(Br)c1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000766392272 652878562 /nfs/dbraw/zinc/87/85/62/652878562.db2.gz NJZVFGJOQOCHGN-GFCCVEGCSA-N 1 0 385.262 2.230 20 5 GEBDRO C[NH+](C)C1CCN(CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599631915 652881476 /nfs/dbraw/zinc/88/14/76/652881476.db2.gz GPOPDEHMUBAKJP-UHFFFAOYSA-N 1 0 399.289 2.113 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)c1 ZINC000599666928 652883006 /nfs/dbraw/zinc/88/30/06/652883006.db2.gz OYCHJRSMIYBFJZ-LSDHHAIUSA-N 1 0 389.239 2.172 20 5 GEBDRO CS[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C[C@H]1[NH+](C)C ZINC000767315373 652919810 /nfs/dbraw/zinc/91/98/10/652919810.db2.gz NSPHJUSIXNVJER-OLZOCXBDSA-N 1 0 393.918 2.223 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC[C@@H](O)C(F)F)c1 ZINC000601147216 652956192 /nfs/dbraw/zinc/95/61/92/652956192.db2.gz JNACHEIMHCHWDU-SNVBAGLBSA-N 1 0 386.136 2.305 20 5 GEBDRO CS[C@H]1CN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000601396531 653090988 /nfs/dbraw/zinc/09/09/88/653090988.db2.gz FPPWTVNQZJWZQE-NEPJUHHUSA-N 1 0 391.540 2.165 20 5 GEBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C2 ZINC000601973151 653134274 /nfs/dbraw/zinc/13/42/74/653134274.db2.gz CUMDHLPIMUQSEQ-IYBDPMFKSA-N 1 0 382.258 2.358 20 5 GEBDRO CCN(CCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000602519319 653187282 /nfs/dbraw/zinc/18/72/82/653187282.db2.gz XWTGKMGCIPQZRI-UHFFFAOYSA-N 1 0 383.392 2.375 20 5 GEBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809702583 653290132 /nfs/dbraw/zinc/29/01/32/653290132.db2.gz WDOYSNFVIDJDNB-GXTWGEPZSA-N 1 0 375.878 2.446 20 5 GEBDRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809836533 653307626 /nfs/dbraw/zinc/30/76/26/653307626.db2.gz MXDIDGKBVBUUMF-UHFFFAOYSA-N 1 0 379.841 2.492 20 5 GEBDRO C[NH+](C)CC(=O)N1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000809935156 653314209 /nfs/dbraw/zinc/31/42/09/653314209.db2.gz IWBXAWMHUBAWKE-UHFFFAOYSA-N 1 0 375.256 2.107 20 5 GEBDRO C[C@](CO)([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000809974187 653315650 /nfs/dbraw/zinc/31/56/50/653315650.db2.gz ORNWWLHZUOAHCJ-CYBMUJFWSA-N 1 0 376.194 2.450 20 5 GEBDRO CC(C)(CC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000700976209 653318577 /nfs/dbraw/zinc/31/85/77/653318577.db2.gz RUYCVMRKNXUMCJ-UHFFFAOYSA-N 1 0 377.182 2.057 20 5 GEBDRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000857881115 653341818 /nfs/dbraw/zinc/34/18/18/653341818.db2.gz QMBJEOYHLXHVFM-GZBFAFLISA-N 1 0 382.258 2.324 20 5 GEBDRO Cc1ccc(N2CC(C[NH+]3CCN(C)CC3)C2)c([N+](=O)[O-])c1Br ZINC000858610588 653369950 /nfs/dbraw/zinc/36/99/50/653369950.db2.gz DDGWHOSRPWRNRQ-UHFFFAOYSA-N 1 0 383.290 2.349 20 5 GEBDRO O=[N+]([O-])c1sc(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1Br ZINC000877021748 653460586 /nfs/dbraw/zinc/46/05/86/653460586.db2.gz FXYQKAXDSCFDBR-VHSXEESVSA-N 1 0 376.276 2.372 20 5 GEBDRO O=[N+]([O-])c1sc(CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1Br ZINC000877021746 653460820 /nfs/dbraw/zinc/46/08/20/653460820.db2.gz FXYQKAXDSCFDBR-UWVGGRQHSA-N 1 0 376.276 2.372 20 5 GEBDRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000780867994 653634196 /nfs/dbraw/zinc/63/41/96/653634196.db2.gz UGXVBIZHCXTIKB-SNVBAGLBSA-N 1 0 392.275 2.120 20 5 GEBDRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000780868340 653634387 /nfs/dbraw/zinc/63/43/87/653634387.db2.gz SUBYISXQLQJENP-SNVBAGLBSA-N 1 0 392.275 2.120 20 5 GEBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000815019846 653644477 /nfs/dbraw/zinc/64/44/77/653644477.db2.gz PGHKFCXOOJDUFL-NSHDSACASA-N 1 0 391.852 2.494 20 5 GEBDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000817149851 653704298 /nfs/dbraw/zinc/70/42/98/653704298.db2.gz INWMMTLPXXZSLT-LLVKDONJSA-N 1 0 392.275 2.072 20 5 GEBDRO CN(CCC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841233846 653711431 /nfs/dbraw/zinc/71/14/31/653711431.db2.gz JBQLCNMKSIHNAL-UHFFFAOYSA-N 1 0 378.170 2.012 20 5 GEBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)CC[NH2+]1 ZINC000841233625 653711452 /nfs/dbraw/zinc/71/14/52/653711452.db2.gz AKVNNRTUECSQPE-MRVPVSSYSA-N 1 0 390.181 2.025 20 5 GEBDRO CC[C@@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841233990 653711568 /nfs/dbraw/zinc/71/15/68/653711568.db2.gz MBTNZZLXLDWVMY-SSDOTTSWSA-N 1 0 378.170 2.058 20 5 GEBDRO CCC[NH2+]CCNC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841233961 653711620 /nfs/dbraw/zinc/71/16/20/653711620.db2.gz LRTIRGOAVJEFAJ-UHFFFAOYSA-N 1 0 392.197 2.321 20 5 GEBDRO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000842699404 653763490 /nfs/dbraw/zinc/76/34/90/653763490.db2.gz NSSSTJOQLPTMFC-VHSXEESVSA-N 1 0 392.275 2.024 20 5 GEBDRO CC(C)(CCC[NH3+])NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000842876217 653771512 /nfs/dbraw/zinc/77/15/12/653771512.db2.gz RQIBBMBZWKJXOL-UHFFFAOYSA-N 1 0 380.264 2.153 20 5 GEBDRO C[NH+](C)C[C@@]1(O)CCN(c2c3ccc(Br)cc3ncc2[N+](=O)[O-])C1 ZINC000895009750 653812437 /nfs/dbraw/zinc/81/24/37/653812437.db2.gz DRGHDABAXFFSAN-INIZCTEOSA-N 1 0 395.257 2.408 20 5 GEBDRO C[NH+](C)CCCOC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000791823784 653826085 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BNALWSUNCZIONE-NSHDSACASA-N 1 0 385.262 2.222 20 5 GEBDRO Cc1cc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)c([N+](=O)[O-])s1 ZINC000885848321 653959683 /nfs/dbraw/zinc/95/96/83/653959683.db2.gz RJUVZRNICHRXFQ-NSHDSACASA-N 1 0 382.467 2.259 20 5 GEBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000885893460 653962746 /nfs/dbraw/zinc/96/27/46/653962746.db2.gz RHFZRTUJROXZTL-LBPRGKRZSA-N 1 0 398.257 2.340 20 5 GEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795887479 653975170 /nfs/dbraw/zinc/97/51/70/653975170.db2.gz AMUVKGCGWBCIJV-ZWNOBZJWSA-N 1 0 391.852 2.492 20 5 GEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795887478 653975233 /nfs/dbraw/zinc/97/52/33/653975233.db2.gz AMUVKGCGWBCIJV-MFKMUULPSA-N 1 0 391.852 2.492 20 5 GEBDRO C[C@@H](CNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000796176802 653989257 /nfs/dbraw/zinc/98/92/57/653989257.db2.gz LDKCMZVQZPKVJL-LBPRGKRZSA-N 1 0 399.289 2.394 20 5 GEBDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000867810106 653991064 /nfs/dbraw/zinc/99/10/64/653991064.db2.gz WYMGDUOYHVJVEH-CABZTGNLSA-N 1 0 377.825 2.102 20 5 GEBDRO C[C@H]1C[C@@H](NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000796640541 654002993 /nfs/dbraw/zinc/00/29/93/654002993.db2.gz SCAUNXSULBZLIX-AAEUAGOBSA-N 1 0 399.289 2.392 20 5 GEBDRO C[NH+](C)Cc1ccnc(NC(=O)c2cc([N+](=O)[O-])ncc2Br)c1 ZINC000798174139 654052824 /nfs/dbraw/zinc/05/28/24/654052824.db2.gz RGXZBYVJZMFMPA-UHFFFAOYSA-N 1 0 380.202 2.461 20 5 GEBDRO O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000900790873 654080482 /nfs/dbraw/zinc/08/04/82/654080482.db2.gz AIOHXNUIGMDNAU-CHWSQXEVSA-N 1 0 398.257 2.029 20 5 GEBDRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000851812977 654180589 /nfs/dbraw/zinc/18/05/89/654180589.db2.gz QAQVZWKHQGBKQT-SNVBAGLBSA-N 1 0 379.841 2.492 20 5 GEBDRO CCO[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C[NH+](C)C 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1 0 376.848 2.335 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nccc(Cl)c4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164765848 721077169 /nfs/dbraw/zinc/07/71/69/721077169.db2.gz JXVNMJLKURPJJB-UONOGXRCSA-N 1 0 376.848 2.335 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cnc5ccc([N+](=O)[O-])cc5n4)C[C@H]3C2)cn1 ZINC001164772681 721086020 /nfs/dbraw/zinc/08/60/20/721086020.db2.gz VRNKKQMWEUFWHY-JKSUJKDBSA-N 1 0 393.451 2.230 20 5 GEBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc21 ZINC001164865499 721107736 /nfs/dbraw/zinc/10/77/36/721107736.db2.gz LZPBMOIUTHMNQR-HOTGVXAUSA-N 1 0 394.435 2.346 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5ccc([N+](=O)[O-])cc54)C[C@H]3C2)cn1 ZINC001164766395 721116160 /nfs/dbraw/zinc/11/61/60/721116160.db2.gz KYWGFNSBEMYPIR-JKSUJKDBSA-N 1 0 393.451 2.230 20 5 GEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982806 722101021 /nfs/dbraw/zinc/10/10/21/722101021.db2.gz PEHAQPRLMBULJF-HKUYNNGSSA-N 1 0 383.452 2.421 20 5 GEBDRO Cc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164984101 722101742 /nfs/dbraw/zinc/10/17/42/722101742.db2.gz RRQYNQMAVRZHJQ-MJGOQNOKSA-N 1 0 383.452 2.421 20 5 GEBDRO CC(C)[N@H+](C)CCNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000154781198 531630843 /nfs/dbraw/zinc/63/08/43/531630843.db2.gz QXUJKJHVFNZJHF-UHFFFAOYSA-N 1 0 391.209 2.269 20 5 GEBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000171275245 531903098 /nfs/dbraw/zinc/90/30/98/531903098.db2.gz YMCOYBFJWQJONJ-JTQLQIEISA-N 1 0 389.193 2.023 20 5 GEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNCc1cc(Cl)ccc1F ZINC000119257889 531963774 /nfs/dbraw/zinc/96/37/74/531963774.db2.gz GWLWRMWFQLEZIF-UHFFFAOYSA-N 1 0 387.820 2.455 20 5 GEBDRO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2I)CC[NH2+]1 ZINC000175412920 532102683 /nfs/dbraw/zinc/10/26/83/532102683.db2.gz ZCNNLOYFNPZMTN-UHFFFAOYSA-N 1 0 389.193 2.023 20 5 GEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000123882205 532109753 /nfs/dbraw/zinc/10/97/53/532109753.db2.gz NEQLVUSVKVODRR-AWEZNQCLSA-N 1 0 388.262 2.444 20 5 GEBDRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000124541387 532123253 /nfs/dbraw/zinc/12/32/53/532123253.db2.gz MMDRAQWJGYIPID-NOZJJQNGSA-N 1 0 392.275 2.153 20 5 GEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176881855 532152806 /nfs/dbraw/zinc/15/28/06/532152806.db2.gz OGZQAZPEZOJYFY-LBPRGKRZSA-N 1 0 388.262 2.444 20 5 GEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)nc1 ZINC000181400280 532298037 /nfs/dbraw/zinc/29/80/37/532298037.db2.gz NTZBXBXFXHFFAB-LLVKDONJSA-N 1 0 384.845 2.272 20 5 GEBDRO CC[NH+]1CCN(CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000182965908 532320271 /nfs/dbraw/zinc/32/02/71/532320271.db2.gz GEBHOOTWEOCOJI-UHFFFAOYSA-N 1 0 386.905 2.094 20 5 GEBDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000185225777 532337152 /nfs/dbraw/zinc/33/71/52/532337152.db2.gz DBUREBOPAJBSJQ-UHFFFAOYSA-N 1 0 381.376 2.328 20 5 GEBDRO COc1ccsc1[C@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000186213830 532340148 /nfs/dbraw/zinc/34/01/48/532340148.db2.gz NSRHRUSAFWTVCK-NSHDSACASA-N 1 0 385.467 2.294 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000192984931 532415528 /nfs/dbraw/zinc/41/55/28/532415528.db2.gz BIQDTJMKSYYPIC-AWEZNQCLSA-N 1 0 381.479 2.457 20 5 GEBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1sc(Br)cc1[N+](=O)[O-] ZINC000373113883 532433309 /nfs/dbraw/zinc/43/33/09/532433309.db2.gz WKAHFHHGYPANPF-DTWKUNHWSA-N 1 0 390.259 2.012 20 5 GEBDRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000467067605 532438200 /nfs/dbraw/zinc/43/82/00/532438200.db2.gz DTYMGJHGQAQSIJ-ZDUSSCGKSA-N 1 0 391.515 2.086 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCOc3c(Br)cccc32)c1 ZINC000282048455 532441831 /nfs/dbraw/zinc/44/18/31/532441831.db2.gz LWCLDQPBGDUMBG-FZMZJTMJSA-N 1 0 397.229 2.028 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000592372689 532452505 /nfs/dbraw/zinc/45/25/05/532452505.db2.gz JULAGPMKYPROQR-UHFFFAOYSA-N 1 0 392.275 2.038 20 5 GEBDRO [NH3+]CC1(CCNC(=O)c2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000593914740 532503055 /nfs/dbraw/zinc/50/30/55/532503055.db2.gz QFJLDBPYSWTLFU-UHFFFAOYSA-N 1 0 389.193 2.058 20 5 GEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000521319629 532511698 /nfs/dbraw/zinc/51/16/98/532511698.db2.gz DTGQPSOHTFDYQS-UHFFFAOYSA-N 1 0 387.527 2.263 20 5 GEBDRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000296497089 532524010 /nfs/dbraw/zinc/52/40/10/532524010.db2.gz SUDXDPBMLJFXTF-NSHDSACASA-N 1 0 376.240 2.478 20 5 GEBDRO C[C@@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nccn1C ZINC000595382935 532561968 /nfs/dbraw/zinc/56/19/68/532561968.db2.gz LPJVPGGXLSFSFC-MRVPVSSYSA-N 1 0 389.231 2.130 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCc3c2ccc(F)c3Br)c1 ZINC000565946597 532585593 /nfs/dbraw/zinc/58/55/93/532585593.db2.gz YFXUWNNJZFMUGY-YGRLFVJLSA-N 1 0 399.220 2.331 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Br)s2)c1 ZINC000566124446 532595218 /nfs/dbraw/zinc/59/52/18/532595218.db2.gz XKTZVCWUQLDXFH-GMTAPVOTSA-N 1 0 387.259 2.122 20 5 GEBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000566646819 532622175 /nfs/dbraw/zinc/62/21/75/532622175.db2.gz CUVOAPWVQGYGSL-LLVKDONJSA-N 1 0 377.438 2.141 20 5 GEBDRO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Br)[N@H+](C)C1 ZINC000284563169 532600695 /nfs/dbraw/zinc/60/06/95/532600695.db2.gz HIQAIPFOUYKCEH-RYUDHWBXSA-N 1 0 386.246 2.148 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000474175062 532608887 /nfs/dbraw/zinc/60/88/87/532608887.db2.gz LWYUGEQPOMTYBY-DTWKUNHWSA-N 1 0 392.275 2.037 20 5 GEBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000435613643 532623353 /nfs/dbraw/zinc/62/33/53/532623353.db2.gz CDHICKMZMPHXOB-LLVKDONJSA-N 1 0 385.262 2.370 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)c1 ZINC000284879265 532629037 /nfs/dbraw/zinc/62/90/37/532629037.db2.gz SWMHERJKQLUOFB-LSDHHAIUSA-N 1 0 396.245 2.051 20 5 GEBDRO CC(C)[NH2+]CCCNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000566971562 532634191 /nfs/dbraw/zinc/63/41/91/532634191.db2.gz JCJPKQJGLZUFRG-UHFFFAOYSA-N 1 0 391.209 2.317 20 5 GEBDRO CCC([NH3+])(CC)CNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000567500024 532657183 /nfs/dbraw/zinc/65/71/83/532657183.db2.gz CQAKHRXXYVZYOQ-UHFFFAOYSA-N 1 0 391.209 2.447 20 5 GEBDRO C[NH+](C)C[C@H]1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000264938891 532684707 /nfs/dbraw/zinc/68/47/07/532684707.db2.gz HKVLWILCJHMUPN-SNVBAGLBSA-N 1 0 381.376 2.276 20 5 GEBDRO C[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285454056 532681132 /nfs/dbraw/zinc/68/11/32/532681132.db2.gz ZPWRKYSTOMFFMQ-NSHDSACASA-N 1 0 384.483 2.210 20 5 GEBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378320577 532690681 /nfs/dbraw/zinc/69/06/81/532690681.db2.gz UZHBRNGIIROANE-IUODEOHRSA-N 1 0 398.305 2.215 20 5 GEBDRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440412246 532712781 /nfs/dbraw/zinc/71/27/81/532712781.db2.gz KDCJYUHLHIVVGW-ZDUSSCGKSA-N 1 0 394.291 2.399 20 5 GEBDRO CSC1(CNS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000579532204 532742150 /nfs/dbraw/zinc/74/21/50/532742150.db2.gz QCWHZYOZXQTUIV-UHFFFAOYSA-N 1 0 387.527 2.317 20 5 GEBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301254002 532746154 /nfs/dbraw/zinc/74/61/54/532746154.db2.gz CZMTUVWCUAHRCU-NSHDSACASA-N 1 0 377.413 2.369 20 5 GEBDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC[N@@H+]1C ZINC000286191006 532732903 /nfs/dbraw/zinc/73/29/03/532732903.db2.gz ZVJUDKTZEZJPBJ-ZJUUUORDSA-N 1 0 379.841 2.491 20 5 GEBDRO COc1cc[nH+]c(N2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)c1 ZINC000268474602 532765272 /nfs/dbraw/zinc/76/52/72/532765272.db2.gz JEGHVLXUORTBIX-UHFFFAOYSA-N 1 0 394.229 2.483 20 5 GEBDRO CC(C)[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000268496372 532767090 /nfs/dbraw/zinc/76/70/90/532767090.db2.gz QMMOGUXMLFRVLA-AWEZNQCLSA-N 1 0 386.294 2.436 20 5 GEBDRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000414457796 532828047 /nfs/dbraw/zinc/82/80/47/532828047.db2.gz GMWAFGYRXHUWQK-UHFFFAOYSA-N 1 0 392.275 2.072 20 5 GEBDRO CO[C@@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000415704604 532854045 /nfs/dbraw/zinc/85/40/45/532854045.db2.gz SILRCNUQRXNSEK-QWHCGFSZSA-N 1 0 387.234 2.327 20 5 GEBDRO CS[C@H]1CN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000274728626 532855291 /nfs/dbraw/zinc/85/52/91/532855291.db2.gz DINHYERMSGPCKB-CABCVRRESA-N 1 0 385.511 2.104 20 5 GEBDRO CS[C@@H]1CN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000274728636 532855166 /nfs/dbraw/zinc/85/51/66/532855166.db2.gz DINHYERMSGPCKB-LSDHHAIUSA-N 1 0 385.511 2.104 20 5 GEBDRO C[N@H+](C[C@@H](O)CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1CC1 ZINC000289490167 532856979 /nfs/dbraw/zinc/85/69/79/532856979.db2.gz YXODAGVJWCIDBN-GFCCVEGCSA-N 1 0 384.274 2.171 20 5 GEBDRO C[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000416387249 532874413 /nfs/dbraw/zinc/87/44/13/532874413.db2.gz MENINDCGPNCENN-VIFPVBQESA-N 1 0 381.376 2.375 20 5 GEBDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000416408195 532876413 /nfs/dbraw/zinc/87/64/13/532876413.db2.gz OOSBHBWKQZCIAH-GXSJLCMTSA-N 1 0 381.376 2.375 20 5 GEBDRO C[NH+](C)C1CCC(Nc2c(I)cncc2[N+](=O)[O-])CC1 ZINC000420626966 532884474 /nfs/dbraw/zinc/88/44/74/532884474.db2.gz MTVTWSWMNPXZFM-UHFFFAOYSA-N 1 0 390.225 2.301 20 5 GEBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1I ZINC000364177039 532904484 /nfs/dbraw/zinc/90/44/84/532904484.db2.gz PWETUGAMJONJRU-SECBINFHSA-N 1 0 389.193 2.071 20 5 GEBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000367492580 532925772 /nfs/dbraw/zinc/92/57/72/532925772.db2.gz IQLDJCKJEJEOFX-TZMCWYRMSA-N 1 0 399.245 2.342 20 5 GEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000294012510 532934698 /nfs/dbraw/zinc/93/46/98/532934698.db2.gz YLOMLEDSHDJAQG-LSDHHAIUSA-N 1 0 398.257 2.293 20 5 GEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000371696832 532949425 /nfs/dbraw/zinc/94/94/25/532949425.db2.gz QGJUMGMIXLFSCP-CHWSQXEVSA-N 1 0 385.873 2.320 20 5 GEBDRO CCC[N@H+](C)C[C@@H]1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821088658 599093824 /nfs/dbraw/zinc/09/38/24/599093824.db2.gz RJZGAIDMQBMZGT-ZDUSSCGKSA-N 1 0 396.455 2.491 20 5 GEBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821597870 599107226 /nfs/dbraw/zinc/10/72/26/599107226.db2.gz JYRBWHZXJBRFRS-HNNXBMFYSA-N 1 0 394.439 2.128 20 5 GEBDRO Cc1cccc(NC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)[nH+]1 ZINC000737400736 598671524 /nfs/dbraw/zinc/67/15/24/598671524.db2.gz YHRAFKITEDXTPW-ZDUSSCGKSA-N 1 0 380.412 2.417 20 5 GEBDRO CC[NH+]1CCC(CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821255039 606198349 /nfs/dbraw/zinc/19/83/49/606198349.db2.gz SKAQODBNNOGSRV-UHFFFAOYSA-N 1 0 382.428 2.467 20 5 GEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000822271320 607024513 /nfs/dbraw/zinc/02/45/13/607024513.db2.gz XBGWSUXQNVRCLS-UHFFFAOYSA-N 1 0 394.439 2.191 20 5 GEBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821586425 607114621 /nfs/dbraw/zinc/11/46/21/607114621.db2.gz XNWZNZUGKGZJMF-UHFFFAOYSA-N 1 0 385.403 2.482 20 5 GEBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1 ZINC000826498396 608173480 /nfs/dbraw/zinc/17/34/80/608173480.db2.gz SNUYFVGGLAJAPU-SFHVURJKSA-N 1 0 380.408 2.473 20 5 GEBDRO CCC[N@@H+]1CC[C@H](CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000825328368 608373276 /nfs/dbraw/zinc/37/32/76/608373276.db2.gz QRZBZVWTZOFJCI-GFCCVEGCSA-N 1 0 382.428 2.467 20 5 GEBDRO C[C@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000824584431 608470269 /nfs/dbraw/zinc/47/02/69/608470269.db2.gz ARBYIAHXZPZRJE-LBPRGKRZSA-N 1 0 381.396 2.454 20 5 GEBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[N@H+](C)C1CC1 ZINC000447031453 649995258 /nfs/dbraw/zinc/99/52/58/649995258.db2.gz RVDJXBSBRJSCPT-VIFPVBQESA-N 1 0 392.275 2.118 20 5 GEBDRO [NH3+]CC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(F)(F)F ZINC000449724082 650047979 /nfs/dbraw/zinc/04/79/79/650047979.db2.gz GOWRPCUAGVLTHN-SNVBAGLBSA-N 1 0 384.152 2.296 20 5 GEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C(C)(C)COc1ncccc1Br ZINC000501048465 650386662 /nfs/dbraw/zinc/38/66/62/650386662.db2.gz HGYGPIFXNXHUBZ-UHFFFAOYSA-N 1 0 384.234 2.433 20 5 GEBDRO CC[N@@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 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O=C(NC[C@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1I ZINC000237803089 645442582 /nfs/dbraw/zinc/44/25/82/645442582.db2.gz CHUXZUNYQKAFNU-SECBINFHSA-N 1 0 389.193 2.071 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c(Cl)c1 ZINC000262117865 645618432 /nfs/dbraw/zinc/61/84/32/645618432.db2.gz BPRRNLMSBIEQLH-HNNXBMFYSA-N 1 0 381.841 2.414 20 5 GEBDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000269485779 646039899 /nfs/dbraw/zinc/03/98/99/646039899.db2.gz MUXOZZNMURKARC-LLVKDONJSA-N 1 0 381.376 2.328 20 5 GEBDRO C[C@H]1[NH2+]CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)[C@H]1C ZINC000277453079 646423455 /nfs/dbraw/zinc/42/34/55/646423455.db2.gz GPHABGXCWMVCRZ-BDAKNGLRSA-N 1 0 389.193 2.022 20 5 GEBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[NH+](C)C ZINC000283553286 646824768 /nfs/dbraw/zinc/82/47/68/646824768.db2.gz JDLNKUSDUAJFHH-MRVPVSSYSA-N 1 0 391.209 2.188 20 5 GEBDRO C[NH+](C)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000331347709 647380537 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/nfs/dbraw/zinc/42/03/36/648420336.db2.gz FXLCPBRETSFYBY-VHSXEESVSA-N 1 0 381.376 2.219 20 5 GEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422550919 648558197 /nfs/dbraw/zinc/55/81/97/648558197.db2.gz CGYGWYKBHPOJLF-UHFFFAOYSA-N 1 0 379.360 2.130 20 5 GEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000425060749 648663123 /nfs/dbraw/zinc/66/31/23/648663123.db2.gz WXHVVZDUFDLOOR-SWLSCSKDSA-N 1 0 382.258 2.452 20 5 GEBDRO C[C@@H]([NH3+])C1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000430934612 648770598 /nfs/dbraw/zinc/77/05/98/648770598.db2.gz PTDRGHDQEJJXHD-SNVBAGLBSA-N 1 0 385.262 2.355 20 5 GEBDRO C[C@@H]1C[C@H](NC(=O)c2cc(I)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000566205876 651602491 /nfs/dbraw/zinc/60/24/91/651602491.db2.gz HHXFTJCNCLUUGZ-LDYMZIIASA-N 1 0 389.193 2.070 20 5 GEBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000609440104 651619438 /nfs/dbraw/zinc/61/94/38/651619438.db2.gz HGABHEZYLJPJCH-JTQLQIEISA-N 1 0 394.291 2.366 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cc(Cl)ccc2OC(F)F)c1 ZINC000567683300 651634328 /nfs/dbraw/zinc/63/43/28/651634328.db2.gz LJYQBPSNVXGZMC-LBPRGKRZSA-N 1 0 376.747 2.197 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCc2cccc(Br)c2)c1 ZINC000610336876 651656926 /nfs/dbraw/zinc/65/69/26/651656926.db2.gz UIDRLQKFWKFLOC-OAHLLOKOSA-N 1 0 383.246 2.137 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCc2cccc(Br)c2)c1 ZINC000610336875 651656985 /nfs/dbraw/zinc/65/69/85/651656985.db2.gz UIDRLQKFWKFLOC-HNNXBMFYSA-N 1 0 383.246 2.137 20 5 GEBDRO O=[N+]([O-])c1cc(Br)cnc1N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000610769565 651684143 /nfs/dbraw/zinc/68/41/43/651684143.db2.gz KHMYCNOBONEHMP-ZDUSSCGKSA-N 1 0 385.262 2.443 20 5 GEBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000571059708 651809139 /nfs/dbraw/zinc/80/91/39/651809139.db2.gz VJRFOHFHDBGWTR-CYBMUJFWSA-N 1 0 388.262 2.180 20 5 GEBDRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000571452469 651833397 /nfs/dbraw/zinc/83/33/97/651833397.db2.gz QIJOWDPPMMGPPJ-UFBFGSQYSA-N 1 0 396.250 2.401 20 5 GEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)c1 ZINC000573556873 651964359 /nfs/dbraw/zinc/96/43/59/651964359.db2.gz ILYJKHIULMXYBI-GFCCVEGCSA-N 1 0 375.212 2.128 20 5 GEBDRO CSC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[NH+](C)CC1 ZINC000577029247 652163615 /nfs/dbraw/zinc/16/36/15/652163615.db2.gz WQIQVVDALRXNDL-UHFFFAOYSA-N 1 0 393.918 2.354 20 5 GEBDRO O=C(CC[NH2+]CCn1cc(Br)cn1)Nc1ccccc1[N+](=O)[O-] ZINC000580948387 652397583 /nfs/dbraw/zinc/39/75/83/652397583.db2.gz XCGKRPHORSGQNN-UHFFFAOYSA-N 1 0 382.218 2.172 20 5 GEBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000582002664 652431354 /nfs/dbraw/zinc/43/13/54/652431354.db2.gz YZERDLXELSTETN-HIFRSBDPSA-N 1 0 398.257 2.326 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CSc3ccc(Br)cc32)c1 ZINC000582541384 652454535 /nfs/dbraw/zinc/45/45/35/652454535.db2.gz ASDCKMAEIKQZTH-WCQYABFASA-N 1 0 399.270 2.351 20 5 GEBDRO C[C@@H](Cc1cccc(Br)c1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000582763973 652462094 /nfs/dbraw/zinc/46/20/94/652462094.db2.gz LNKMEYFVCFSXGC-XHDPSFHLSA-N 1 0 383.246 2.136 20 5 GEBDRO CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000582969303 652469201 /nfs/dbraw/zinc/46/92/01/652469201.db2.gz XVAFLVVOANTMMG-GFCCVEGCSA-N 1 0 381.479 2.447 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000757675983 652520337 /nfs/dbraw/zinc/52/03/37/652520337.db2.gz QCNPSCBVLUJWCB-ILXRZTDVSA-N 1 0 388.536 2.338 20 5 GEBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)c(Br)c1 ZINC000590192765 652576377 /nfs/dbraw/zinc/57/63/77/652576377.db2.gz GIFRLLISRVEXEG-CABZTGNLSA-N 1 0 387.209 2.405 20 5 GEBDRO CN1CC[NH+](CCCCNC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000760790310 652624061 /nfs/dbraw/zinc/62/40/61/652624061.db2.gz UPGGKXVUOSTAKT-UHFFFAOYSA-N 1 0 399.289 2.115 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N(C)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000595115257 652705166 /nfs/dbraw/zinc/70/51/66/652705166.db2.gz DCGLDCQABQLMIM-UHFFFAOYSA-N 1 0 380.264 2.024 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)NCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000595120807 652705897 /nfs/dbraw/zinc/70/58/97/652705897.db2.gz XCFLTHSUCMKUMC-UHFFFAOYSA-N 1 0 392.275 2.216 20 5 GEBDRO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[NH2+]1 ZINC000595413182 652724775 /nfs/dbraw/zinc/72/47/75/652724775.db2.gz QVYNVHSLWCKLMB-LBPRGKRZSA-N 1 0 381.376 2.232 20 5 GEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000598452764 652816584 /nfs/dbraw/zinc/81/65/84/652816584.db2.gz MAADJFNPSJXMDI-HNNXBMFYSA-N 1 0 398.257 2.029 20 5 GEBDRO CN1CC[NH+](CCCCNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599062507 652847168 /nfs/dbraw/zinc/84/71/68/652847168.db2.gz XIUBJXHIVXCXJP-UHFFFAOYSA-N 1 0 399.289 2.115 20 5 GEBDRO O=[N+]([O-])c1cncc(Br)c1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000766392273 652878425 /nfs/dbraw/zinc/87/84/25/652878425.db2.gz NJZVFGJOQOCHGN-LBPRGKRZSA-N 1 0 385.262 2.230 20 5 GEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC1CC(N2CCOCC2)C1 ZINC000600066004 652902004 /nfs/dbraw/zinc/90/20/04/652902004.db2.gz FFSRHNJNUBPSNU-UHFFFAOYSA-N 1 0 385.873 2.320 20 5 GEBDRO CS[C@@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@@H]1[NH+]1CCCC1 ZINC000601145891 652956203 /nfs/dbraw/zinc/95/62/03/652956203.db2.gz VASFGWIBSUDUNY-VHSXEESVSA-N 1 0 379.408 2.363 20 5 GEBDRO [NH3+]C[C@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC12CCOCC2 ZINC000602496647 653186815 /nfs/dbraw/zinc/18/68/15/653186815.db2.gz OXTBVCWQIQDAIO-NSHDSACASA-N 1 0 398.257 2.185 20 5 GEBDRO C[C@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)C[NH2+]1 ZINC000602555525 653190631 /nfs/dbraw/zinc/19/06/31/653190631.db2.gz RGFOWURPGAFXNK-DTWKUNHWSA-N 1 0 389.193 2.070 20 5 GEBDRO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000809808691 653297129 /nfs/dbraw/zinc/29/71/29/653297129.db2.gz DQAPEXVLSDZKBH-VXGBXAGGSA-N 1 0 377.825 2.292 20 5 GEBDRO CC1([NH3+])CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)CC1 ZINC000704514481 653321341 /nfs/dbraw/zinc/32/13/41/653321341.db2.gz ZGSNCRQBDSRTEB-UHFFFAOYSA-N 1 0 389.193 2.153 20 5 GEBDRO CN(CC(C)(C)[NH3+])C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000706041721 653321832 /nfs/dbraw/zinc/32/18/32/653321832.db2.gz SLZUREYGTYLRCZ-UHFFFAOYSA-N 1 0 377.182 2.009 20 5 GEBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc([N+](=O)[O-])ncc1Br ZINC000837041347 653397627 /nfs/dbraw/zinc/39/76/27/653397627.db2.gz QKOVAXGSBITABE-UHFFFAOYSA-N 1 0 383.246 2.499 20 5 GEBDRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000780864648 653633864 /nfs/dbraw/zinc/63/38/64/653633864.db2.gz DSQCYMAERKYADH-JTQLQIEISA-N 1 0 392.275 2.120 20 5 GEBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000814982204 653641810 /nfs/dbraw/zinc/64/18/10/653641810.db2.gz QUZOCHIRKAORCQ-UHFFFAOYSA-N 1 0 379.841 2.492 20 5 GEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815028132 653645595 /nfs/dbraw/zinc/64/55/95/653645595.db2.gz RMJSBHYEBKHOCE-GWCFXTLKSA-N 1 0 391.852 2.492 20 5 GEBDRO O=[N+]([O-])c1cccc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1Br ZINC000839481966 653651046 /nfs/dbraw/zinc/65/10/46/653651046.db2.gz VVBFWBCPKZLXID-HIFRSBDPSA-N 1 0 384.274 2.388 20 5 GEBDRO C[NH+](C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000784723256 653698989 /nfs/dbraw/zinc/69/89/89/653698989.db2.gz DYVSCVYCRPLDFJ-VXGBXAGGSA-N 1 0 392.275 2.118 20 5 GEBDRO CN(C[C@@H]1CCC[N@@H+]1C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000817374847 653709452 /nfs/dbraw/zinc/70/94/52/653709452.db2.gz MXVZAHVGOFOMOI-LBPRGKRZSA-N 1 0 397.273 2.297 20 5 GEBDRO Cn1cc([C@@H]2CN(Cc3c(Br)cccc3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC000818431508 653731490 /nfs/dbraw/zinc/73/14/90/653731490.db2.gz OUYKAMUKBADRDB-SMDDNHRTSA-N 1 0 380.246 2.018 20 5 GEBDRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)[C@@H]2C1 ZINC000819910421 653762114 /nfs/dbraw/zinc/76/21/14/653762114.db2.gz ARAKMLYYUWQHDF-JOYOIKCWSA-N 1 0 377.825 2.102 20 5 GEBDRO CC[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000842792011 653767593 /nfs/dbraw/zinc/76/75/93/653767593.db2.gz DIFWVBXEVQDNCY-KOLCDFICSA-N 1 0 392.275 2.105 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC[C@@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000843092598 653778988 /nfs/dbraw/zinc/77/89/88/653778988.db2.gz CCBARSOLGBRGAX-IUODEOHRSA-N 1 0 389.239 2.172 20 5 GEBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)C2 ZINC000821026143 653789005 /nfs/dbraw/zinc/78/90/05/653789005.db2.gz QCEAPAYSDHLRTG-INIZCTEOSA-N 1 0 397.273 2.497 20 5 GEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896539988 653883610 /nfs/dbraw/zinc/88/36/10/653883610.db2.gz CMNOWQHCPSJZBV-NHYWBVRUSA-N 1 0 399.289 2.030 20 5 GEBDRO [NH3+]CCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000846235074 653892758 /nfs/dbraw/zinc/89/27/58/653892758.db2.gz QZSCBENLRRCCQE-UHFFFAOYSA-N 1 0 392.275 2.107 20 5 GEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000867308663 653913000 /nfs/dbraw/zinc/91/30/00/653913000.db2.gz MOIUFNFEQIAVBD-CABZTGNLSA-N 1 0 392.275 2.070 20 5 GEBDRO CC[NH+](CC)CCNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000794721082 653917471 /nfs/dbraw/zinc/91/74/71/653917471.db2.gz WFSXPSGOLZZYSH-UHFFFAOYSA-N 1 0 387.278 2.252 20 5 GEBDRO CN(CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000847178820 653919190 /nfs/dbraw/zinc/91/91/90/653919190.db2.gz FPMPPZUCMNLCMR-BJHJDKERSA-N 1 0 399.289 2.250 20 5 GEBDRO CN(CC(=O)NCC(C)(C)[NH+](C)C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000794796852 653921097 /nfs/dbraw/zinc/92/10/97/653921097.db2.gz VMHNLEKGKFQYNH-UHFFFAOYSA-N 1 0 387.278 2.250 20 5 GEBDRO CN(CC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000795563011 653959020 /nfs/dbraw/zinc/95/90/20/653959020.db2.gz MOHXREIXGSUTOH-GFCCVEGCSA-N 1 0 397.273 2.146 20 5 GEBDRO C[C@@H]1C[C@@H](NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000796640550 654002849 /nfs/dbraw/zinc/00/28/49/654002849.db2.gz SCAUNXSULBZLIX-YPMHNXCESA-N 1 0 399.289 2.392 20 5 GEBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000798227874 654055792 /nfs/dbraw/zinc/05/57/92/654055792.db2.gz AADCZICHTIKSSJ-SNVBAGLBSA-N 1 0 379.841 2.350 20 5 GEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000829564416 654072398 /nfs/dbraw/zinc/07/23/98/654072398.db2.gz YKQWEIXHRLTWAB-WDEREUQCSA-N 1 0 383.246 2.248 20 5 GEBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cccc([N+](=O)[O-])c1Br ZINC000900719336 654077900 /nfs/dbraw/zinc/07/79/00/654077900.db2.gz GOUCLFKYXYYVCH-GFCCVEGCSA-N 1 0 398.257 2.340 20 5 GEBDRO O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000900790874 654080515 /nfs/dbraw/zinc/08/05/15/654080515.db2.gz AIOHXNUIGMDNAU-OLZOCXBDSA-N 1 0 398.257 2.029 20 5 GEBDRO C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000900810936 654082075 /nfs/dbraw/zinc/08/20/75/654082075.db2.gz IVBYFZVIOZQWLF-NOZJJQNGSA-N 1 0 375.256 2.266 20 5 GEBDRO Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+](C)C1CC1 ZINC000799765041 654110410 /nfs/dbraw/zinc/11/04/10/654110410.db2.gz BSQQSGKTDBAMOU-UHFFFAOYSA-N 1 0 392.275 2.038 20 5 GEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889763902 654170096 /nfs/dbraw/zinc/17/00/96/654170096.db2.gz OVXYKOZLIIUGQH-HUUCEWRRSA-N 1 0 398.257 2.029 20 5 GEBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000851821292 654183641 /nfs/dbraw/zinc/18/36/41/654183641.db2.gz QFFMIGANEWSMCP-SNVBAGLBSA-N 1 0 392.275 2.120 20 5 GEBDRO CCO[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C[NH+](C)C ZINC000831737871 654204875 /nfs/dbraw/zinc/20/48/75/654204875.db2.gz MJIIQDYHRJEABZ-JTQLQIEISA-N 1 0 392.225 2.193 20 5 GEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(OC)CCS(=O)(=O)C1 ZINC000903365604 654235724 /nfs/dbraw/zinc/23/57/24/654235724.db2.gz OHRPQEMJLJXSGU-BBRMVZONSA-N 1 0 388.511 2.259 20 5 GEBDRO O=[N+]([O-])c1cc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1Br ZINC000852708182 654255283 /nfs/dbraw/zinc/25/52/83/654255283.db2.gz SRFQWHHOOGTSTP-AWEZNQCLSA-N 1 0 384.274 2.388 20 5 GEBDRO CC[N@@H+]1CCN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000804381496 654307728 /nfs/dbraw/zinc/30/77/28/654307728.db2.gz OTQYSMOOCWKXQP-GFCCVEGCSA-N 1 0 399.289 2.346 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000905515340 654362490 /nfs/dbraw/zinc/36/24/90/654362490.db2.gz CVJCLQXEDVFSKN-YPMHNXCESA-N 1 0 382.360 2.068 20 5 GEBDRO C[NH+]1CCC2(CCN(C(=O)c3cc([N+](=O)[O-])ncc3Br)C2)CC1 ZINC000854497881 654364816 /nfs/dbraw/zinc/36/48/16/654364816.db2.gz BCMJBWBGWGEYJO-UHFFFAOYSA-N 1 0 383.246 2.310 20 5 GEBDRO CN1CC[NH+](CC2CN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)CC1 ZINC000854644630 654372725 /nfs/dbraw/zinc/37/27/25/654372725.db2.gz QMUDVEDPALSGLY-UHFFFAOYSA-N 1 0 387.267 2.221 20 5 GEBDRO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000923355333 654446112 /nfs/dbraw/zinc/44/61/12/654446112.db2.gz JZMTYYKREXMPIP-CQSZACIVSA-N 1 0 380.246 2.237 20 5 GEBDRO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)CC[N@@H+]1C ZINC000928437254 654647221 /nfs/dbraw/zinc/64/72/21/654647221.db2.gz BTGCZAKJVNVIFM-QPUJVOFHSA-N 1 0 389.193 2.022 20 5 GEBDRO C[NH+](C)CC1CCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC1 ZINC000932711798 654786315 /nfs/dbraw/zinc/78/63/15/654786315.db2.gz KPHFHXJFNMNYRJ-UHFFFAOYSA-N 1 0 385.262 2.353 20 5 GEBDRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000933436138 654812714 /nfs/dbraw/zinc/81/27/14/654812714.db2.gz ADPJGMCIQGDALO-HNNXBMFYSA-N 1 0 383.246 2.137 20 5 GEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000934888973 654864760 /nfs/dbraw/zinc/86/47/60/654864760.db2.gz GMMNOXNHSHBIRR-ZWNOBZJWSA-N 1 0 397.273 2.496 20 5 GEBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nccc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164685555 719734344 /nfs/dbraw/zinc/73/43/44/719734344.db2.gz MDIUANGDNLCLDW-UHFFFAOYSA-N 1 0 383.452 2.324 20 5 GEBDRO Cc1ccnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164827818 720303633 /nfs/dbraw/zinc/30/36/33/720303633.db2.gz YGKDQXHEZGLINZ-IRXDYDNUSA-N 1 0 387.484 2.210 20 5 GEBDRO COC(=O)c1cnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001164723580 720360951 /nfs/dbraw/zinc/36/09/51/720360951.db2.gz IAACNQMAYGTLCE-HZPDHXFCSA-N 1 0 383.408 2.025 20 5 GEBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)C1 ZINC001164735177 720527793 /nfs/dbraw/zinc/52/77/93/720527793.db2.gz VSZVICXAZDKDFE-HNNXBMFYSA-N 1 0 393.451 2.446 20 5 GEBDRO O=[N+]([O-])c1cccc2nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)ccc21 ZINC001164736702 720689707 /nfs/dbraw/zinc/68/97/07/720689707.db2.gz AMZKWIUGPZGYTK-GJZGRUSLSA-N 1 0 392.419 2.275 20 5 GEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737893 720729217 /nfs/dbraw/zinc/72/92/17/720729217.db2.gz DIZGMCIJJUUULC-HZPDHXFCSA-N 1 0 392.419 2.275 20 5 GEBDRO Cc1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1[N+](=O)[O-] ZINC001164746821 720817769 /nfs/dbraw/zinc/81/77/69/720817769.db2.gz ZHXCUUSSQHHVSJ-KZNAEPCWSA-N 1 0 397.483 2.269 20 5 GEBDRO COc1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)ncc1[N+](=O)[O-] ZINC001164856757 720919920 /nfs/dbraw/zinc/91/99/20/720919920.db2.gz KTIFGRNOXIJTFO-GFCCVEGCSA-N 1 0 375.433 2.011 20 5 GEBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc21 ZINC001164865500 721107794 /nfs/dbraw/zinc/10/77/94/721107794.db2.gz LZPBMOIUTHMNQR-HZPDHXFCSA-N 1 0 394.435 2.346 20 5 GEBDRO COc1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164904638 721530698 /nfs/dbraw/zinc/53/06/98/721530698.db2.gz FUUAQAMSAZEPIS-WMLDXEAASA-N 1 0 388.399 2.479 20 5 GEBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[NH+](C[C@H]4CCCO4)CC3)c2c1 ZINC001165037984 721905841 /nfs/dbraw/zinc/90/58/41/721905841.db2.gz IKSLAVMSJIXMLJ-CYBMUJFWSA-N 1 0 377.832 2.492 20 5 GEBDRO Cc1nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)ncc1[N+](=O)[O-] ZINC001164961582 722061583 /nfs/dbraw/zinc/06/15/83/722061583.db2.gz MBJOCOVOEMHWTP-UHFFFAOYSA-N 1 0 398.467 2.207 20 5 GEBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980663 722106267 /nfs/dbraw/zinc/10/62/67/722106267.db2.gz JWGAQTAMWYHODY-MAUKXSAKSA-N 1 0 387.415 2.251 20 5 GEBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000152597449 531560318 /nfs/dbraw/zinc/56/03/18/531560318.db2.gz COXWGIJXMXIMNE-ZDUSSCGKSA-N 1 0 394.653 2.053 20 5 GEBDRO CC[NH+]1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000159807613 531795539 /nfs/dbraw/zinc/79/55/39/531795539.db2.gz SXJBXLCDOGJORL-UHFFFAOYSA-N 1 0 399.289 2.115 20 5 GEBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000162111351 531834815 /nfs/dbraw/zinc/83/48/15/531834815.db2.gz XMWXNRBULDMBJT-BDAKNGLRSA-N 1 0 389.193 2.199 20 5 GEBDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000163349609 531857299 /nfs/dbraw/zinc/85/72/99/531857299.db2.gz JRQAGBRDJHXAGM-SNVBAGLBSA-N 1 0 381.376 2.234 20 5 GEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000171275237 531902434 /nfs/dbraw/zinc/90/24/34/531902434.db2.gz YMCOYBFJWQJONJ-SNVBAGLBSA-N 1 0 389.193 2.023 20 5 GEBDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000113943308 531953403 /nfs/dbraw/zinc/95/34/03/531953403.db2.gz PDYBYNNJRXULPX-UHFFFAOYSA-N 1 0 392.275 2.072 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3ccc(Br)cc3)CC2)c1 ZINC000173273492 532000623 /nfs/dbraw/zinc/00/06/23/532000623.db2.gz KOSUYTZCRGWAQD-AWEZNQCLSA-N 1 0 381.230 2.194 20 5 GEBDRO COc1ccc([C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1Br ZINC000174693047 532074674 /nfs/dbraw/zinc/07/46/74/532074674.db2.gz OCSWXXHPLGIEME-GWCFXTLKSA-N 1 0 399.245 2.274 20 5 GEBDRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000176794033 532150641 /nfs/dbraw/zinc/15/06/41/532150641.db2.gz QGZYMIQXGDWJSX-UHFFFAOYSA-N 1 0 375.497 2.470 20 5 GEBDRO Cc1nc(C)c([C@@H](C)[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000178005480 532189480 /nfs/dbraw/zinc/18/94/80/532189480.db2.gz TWBXCVOOXQZHSB-SNVBAGLBSA-N 1 0 384.483 2.297 20 5 GEBDRO C[NH2+]C1CCN(S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 ZINC000178952051 532218755 /nfs/dbraw/zinc/21/87/55/532218755.db2.gz CWUSDSXDAUCBOI-UHFFFAOYSA-N 1 0 392.275 2.038 20 5 GEBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000132814977 532222072 /nfs/dbraw/zinc/22/20/72/532222072.db2.gz SFQWPLDFVKGMGE-SECBINFHSA-N 1 0 389.193 2.023 20 5 GEBDRO Cc1c([C@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000181634697 532303886 /nfs/dbraw/zinc/30/38/86/532303886.db2.gz QWYQNBZCXFYJSX-QWHCGFSZSA-N 1 0 384.479 2.450 20 5 GEBDRO COc1ccsc1[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186133413 532339785 /nfs/dbraw/zinc/33/97/85/532339785.db2.gz FLIPGBSHORNZEK-NSHDSACASA-N 1 0 385.467 2.294 20 5 GEBDRO COc1ccsc1[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000186133873 532339935 /nfs/dbraw/zinc/33/99/35/532339935.db2.gz SPPROPOKULYJMJ-LLVKDONJSA-N 1 0 385.467 2.294 20 5 GEBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000184382123 532332646 /nfs/dbraw/zinc/33/26/46/532332646.db2.gz UYHIQSDFASORHY-LBPRGKRZSA-N 1 0 399.289 2.113 20 5 GEBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)CC[NH2+]1 ZINC000278327948 532375116 /nfs/dbraw/zinc/37/51/16/532375116.db2.gz VVFLJQMVVWAJAE-BDAKNGLRSA-N 1 0 389.193 2.070 20 5 GEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000590590145 532378256 /nfs/dbraw/zinc/37/82/56/532378256.db2.gz TZEYDUIOYDZEJM-GXSJLCMTSA-N 1 0 392.275 2.070 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CC[C@@H](CO)C2)c1 ZINC000295015501 532396158 /nfs/dbraw/zinc/39/61/58/532396158.db2.gz JYJHREIZWKUTLR-SKDRFNHKSA-N 1 0 376.194 2.450 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(CN2CC[NH+](C3CC3)CC2)c1 ZINC000518444709 532441321 /nfs/dbraw/zinc/44/13/21/532441321.db2.gz VHCITFLOSVHWHW-UHFFFAOYSA-N 1 0 387.221 2.479 20 5 GEBDRO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000236673670 532492596 /nfs/dbraw/zinc/49/25/96/532492596.db2.gz IFTFMKDRRFUMEX-JTQLQIEISA-N 1 0 380.264 2.009 20 5 GEBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000565002367 532541871 /nfs/dbraw/zinc/54/18/71/532541871.db2.gz FOFBMOXTYSPYPS-SFYZADRCSA-N 1 0 377.182 2.055 20 5 GEBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000595353613 532559546 /nfs/dbraw/zinc/55/95/46/532559546.db2.gz IQDLMNYKYAKDQL-LLVKDONJSA-N 1 0 381.376 2.376 20 5 GEBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000283997958 532572699 /nfs/dbraw/zinc/57/26/99/532572699.db2.gz NKJPQPAXEZSWOM-LLVKDONJSA-N 1 0 386.246 2.116 20 5 GEBDRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597695120 532624316 /nfs/dbraw/zinc/62/43/16/532624316.db2.gz QKZNCBUOIOFMKN-GJZGRUSLSA-N 1 0 398.257 2.293 20 5 GEBDRO CSc1ccc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000567799069 532664870 /nfs/dbraw/zinc/66/48/70/532664870.db2.gz ZHDBEWZIMQWZEQ-UHFFFAOYSA-N 1 0 387.508 2.446 20 5 GEBDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000264842060 532679943 /nfs/dbraw/zinc/67/99/43/532679943.db2.gz AUKJBUCCHSTDAN-SECBINFHSA-N 1 0 391.209 2.269 20 5 GEBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1F ZINC000285539189 532688719 /nfs/dbraw/zinc/68/87/19/532688719.db2.gz FWSYUXNWWBTJKB-JOYOIKCWSA-N 1 0 387.209 2.405 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000440432639 532714641 /nfs/dbraw/zinc/71/46/41/532714641.db2.gz KGAHDCYVLOZJJF-JTQLQIEISA-N 1 0 380.253 2.417 20 5 GEBDRO O=C(C[NH2+][C@H]1CCC[C@@H]1CCO)Nc1ccc([N+](=O)[O-])cc1Br ZINC000502856016 532742670 /nfs/dbraw/zinc/74/26/70/532742670.db2.gz NKTCMGXDQGKOAI-MFKMUULPSA-N 1 0 386.246 2.437 20 5 GEBDRO O=C(C[NH+]1CCCC1)N1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301650854 532756325 /nfs/dbraw/zinc/75/63/25/532756325.db2.gz GCYSGANNVQPYSQ-UHFFFAOYSA-N 1 0 397.273 2.102 20 5 GEBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000286507902 532752325 /nfs/dbraw/zinc/75/23/25/532752325.db2.gz UQLMZRICYINKBK-STQMWFEESA-N 1 0 385.262 2.442 20 5 GEBDRO CC[NH+](CC)CCOCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000542682739 532775745 /nfs/dbraw/zinc/77/57/45/532775745.db2.gz ZGYAQVPUZIHCDV-UHFFFAOYSA-N 1 0 388.262 2.446 20 5 GEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000330592918 532821758 /nfs/dbraw/zinc/82/17/58/532821758.db2.gz PENKNEFQDAMLDH-GHMZBOCLSA-N 1 0 385.262 2.320 20 5 GEBDRO C[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C[N@@H+]1C ZINC000330592919 532821836 /nfs/dbraw/zinc/82/18/36/532821836.db2.gz PENKNEFQDAMLDH-MNOVXSKESA-N 1 0 385.262 2.320 20 5 GEBDRO CS[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000330598277 532821977 /nfs/dbraw/zinc/82/19/77/532821977.db2.gz WPNZSXAWIZBTSD-UONOGXRCSA-N 1 0 393.918 2.223 20 5 GEBDRO COc1cc(C[N@@H+]2C[C@H](O)C[C@H]2CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000359975181 206274899 /nfs/dbraw/zinc/27/48/99/206274899.db2.gz PZGJCKPGPSBRGT-ZWKOTPCHSA-N 1 0 388.420 2.110 20 5 GEBDRO CO[C@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000415704605 532854150 /nfs/dbraw/zinc/85/41/50/532854150.db2.gz SILRCNUQRXNSEK-STQMWFEESA-N 1 0 387.234 2.327 20 5 GEBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000415699705 532853895 /nfs/dbraw/zinc/85/38/95/532853895.db2.gz KAGUQCSBRJXVEG-JTQLQIEISA-N 1 0 379.161 2.476 20 5 GEBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000416408196 532876724 /nfs/dbraw/zinc/87/67/24/532876724.db2.gz OOSBHBWKQZCIAH-KOLCDFICSA-N 1 0 381.376 2.375 20 5 GEBDRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290340504 532878739 /nfs/dbraw/zinc/87/87/39/532878739.db2.gz BMENQXNIMAKHOK-UHFFFAOYSA-N 1 0 379.841 2.350 20 5 GEBDRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000290709455 532887203 /nfs/dbraw/zinc/88/72/03/532887203.db2.gz JGSYQCGPLJNISS-SECBINFHSA-N 1 0 382.269 2.474 20 5 GEBDRO NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290801763 532889752 /nfs/dbraw/zinc/88/97/52/532889752.db2.gz FHSPJSBJVOVLDB-ZDUSSCGKSA-N 1 0 375.256 2.331 20 5 GEBDRO CC(C)(CCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000293745740 532931012 /nfs/dbraw/zinc/93/10/12/532931012.db2.gz VLNCFVPFKMJHFL-UHFFFAOYSA-N 1 0 391.209 2.447 20 5 GEBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000736616300 599063288 /nfs/dbraw/zinc/06/32/88/599063288.db2.gz QVOOWXNZJVKMCI-HIFRSBDPSA-N 1 0 389.460 2.324 20 5 GEBDRO CC[NH+](CC)[C@H]1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821180345 599095273 /nfs/dbraw/zinc/09/52/73/599095273.db2.gz BRLQZHJCHUSWCU-ZDUSSCGKSA-N 1 0 382.428 2.244 20 5 GEBDRO CC1CC[NH+](C[C@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)CC1 ZINC000736275920 598500440 /nfs/dbraw/zinc/50/04/40/598500440.db2.gz LIFZFFRCJQLQKN-CQSZACIVSA-N 1 0 386.460 2.118 20 5 GEBDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820420163 599388550 /nfs/dbraw/zinc/38/85/50/599388550.db2.gz NJLOHNUZKNQXQL-PXAZEXFGSA-N 1 0 393.407 2.231 20 5 GEBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820411326 599391106 /nfs/dbraw/zinc/39/11/06/599391106.db2.gz ITBCXAJMOFYZSR-NEPJUHHUSA-N 1 0 381.396 2.453 20 5 GEBDRO C[C@H]([NH2+][C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000820419404 606301167 /nfs/dbraw/zinc/30/11/67/606301167.db2.gz GTARLULZGIUVJI-HZMBPMFUSA-N 1 0 399.436 2.293 20 5 GEBDRO C[C@H]1CCC[N@H+](CCNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820711341 606453428 /nfs/dbraw/zinc/45/34/28/606453428.db2.gz WRWZZUMAFRHISX-LBPRGKRZSA-N 1 0 382.428 2.467 20 5 GEBDRO O=[N+]([O-])c1cc(N2CC[NH+](CCc3ccccc3)CC2)ccc1-c1nn[nH]n1 ZINC000823635504 606645641 /nfs/dbraw/zinc/64/56/41/606645641.db2.gz YSBGFOSJGDWYPC-UHFFFAOYSA-N 1 0 379.424 2.140 20 5 GEBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000823620736 606703806 /nfs/dbraw/zinc/70/38/06/606703806.db2.gz PFEAIXVDTZUURI-OAHLLOKOSA-N 1 0 394.439 2.494 20 5 GEBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000823624523 606707265 /nfs/dbraw/zinc/70/72/65/606707265.db2.gz BPBVKVBEQOVRSE-UHFFFAOYSA-N 1 0 398.452 2.462 20 5 GEBDRO C[C@H]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000820727151 606713483 /nfs/dbraw/zinc/71/34/83/606713483.db2.gz HTXYWNDARRVAQW-AWEZNQCLSA-N 1 0 394.439 2.271 20 5 GEBDRO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000820668967 606875508 /nfs/dbraw/zinc/87/55/08/606875508.db2.gz XUESLICNYSKIKI-TZMCWYRMSA-N 1 0 380.412 2.245 20 5 GEBDRO CC(C)OCC[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC000824315780 607842745 /nfs/dbraw/zinc/84/27/45/607842745.db2.gz YNRLZPNLPOEQRI-UHFFFAOYSA-N 1 0 375.433 2.076 20 5 GEBDRO CC[N@@H+]1C[C@@H](C)N(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000825450559 608232158 /nfs/dbraw/zinc/23/21/58/608232158.db2.gz AUXCDNVBQOAQRT-VXGBXAGGSA-N 1 0 382.428 2.242 20 5 GEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826304725 608482859 /nfs/dbraw/zinc/48/28/59/608482859.db2.gz WDCXENUDKHSVKK-GFCCVEGCSA-N 1 0 381.396 2.373 20 5 GEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826272637 608488096 /nfs/dbraw/zinc/48/80/96/608488096.db2.gz UGZYZRZPKSSPSN-LBPRGKRZSA-N 1 0 381.396 2.373 20 5 GEBDRO CC[C@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825139301 608552167 /nfs/dbraw/zinc/55/21/67/608552167.db2.gz DNBFVTDLBLQKLE-WMZOPIPTSA-N 1 0 398.423 2.256 20 5 GEBDRO CC[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000447026578 649994702 /nfs/dbraw/zinc/99/47/02/649994702.db2.gz IUEAEQBVPPPUGN-UHFFFAOYSA-N 1 0 392.275 2.120 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000447246332 650003298 /nfs/dbraw/zinc/00/32/98/650003298.db2.gz OSGLWBGEYUSUNM-WCBMZHEXSA-N 1 0 392.275 2.024 20 5 GEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000449717305 650047530 /nfs/dbraw/zinc/04/75/30/650047530.db2.gz MRKSKIMBROLIDD-DTWKUNHWSA-N 1 0 389.193 2.057 20 5 GEBDRO C[C@H]1C[N@H+](CCO)CCN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000450955385 650076334 /nfs/dbraw/zinc/07/63/34/650076334.db2.gz PIFUOVGDHXXJDK-NSHDSACASA-N 1 0 395.257 2.408 20 5 GEBDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000453272112 650207628 /nfs/dbraw/zinc/20/76/28/650207628.db2.gz ADXSMNLXLMEISA-OLZOCXBDSA-N 1 0 375.516 2.383 20 5 GEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]CCc2cccc(Cl)c2)c1 ZINC000459386648 650423608 /nfs/dbraw/zinc/42/36/08/650423608.db2.gz LRELQTCPZSLJBB-UHFFFAOYSA-N 1 0 383.857 2.359 20 5 GEBDRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000512415027 650547716 /nfs/dbraw/zinc/54/77/16/650547716.db2.gz KSRURRGFCJQCQM-VIFPVBQESA-N 1 0 382.269 2.474 20 5 GEBDRO CC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000513057364 650556940 /nfs/dbraw/zinc/55/69/40/650556940.db2.gz DTTISPQJEKFABF-UHFFFAOYSA-N 1 0 391.209 2.189 20 5 GEBDRO CNS(=O)(=O)c1ccc(NC[C@H](c2cccs2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000015171318 642378990 /nfs/dbraw/zinc/37/89/90/642378990.db2.gz HNWLBAPNYNGRBB-CQSZACIVSA-N 1 0 384.483 2.279 20 5 GEBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000049558829 642668536 /nfs/dbraw/zinc/66/85/36/642668536.db2.gz BENSXCFCFHJJDR-VIFPVBQESA-N 1 0 391.209 2.269 20 5 GEBDRO CCS(=O)(=O)NCCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113331338 643395022 /nfs/dbraw/zinc/39/50/22/643395022.db2.gz NAESEHSQLJUMHY-UHFFFAOYSA-N 1 0 384.483 2.137 20 5 GEBDRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000124586287 643688003 /nfs/dbraw/zinc/68/80/03/643688003.db2.gz FFAGILOFISECEO-GXSJLCMTSA-N 1 0 392.275 2.153 20 5 GEBDRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000124943660 643694719 /nfs/dbraw/zinc/69/47/19/643694719.db2.gz XLPRANCFYVLEHF-CYBMUJFWSA-N 1 0 394.291 2.351 20 5 GEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC(OCCC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000124982306 643696933 /nfs/dbraw/zinc/69/69/33/643696933.db2.gz MNXCBKVNSABOOJ-UHFFFAOYSA-N 1 0 391.877 2.075 20 5 GEBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000125005054 643697526 /nfs/dbraw/zinc/69/75/26/643697526.db2.gz OIJRKCUAMYTVCF-VIFPVBQESA-N 1 0 380.264 2.153 20 5 GEBDRO C[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[N@H+](C)C1CC1 ZINC000173109036 644352364 /nfs/dbraw/zinc/35/23/64/644352364.db2.gz XGNQTWHUTNPAMK-VIFPVBQESA-N 1 0 392.275 2.118 20 5 GEBDRO [NH3+]C[C@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCCC1 ZINC000194773254 645347739 /nfs/dbraw/zinc/34/77/39/645347739.db2.gz JAYBUCXNMZVRJJ-NSHDSACASA-N 1 0 392.275 2.153 20 5 GEBDRO C[NH2+]C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)CC1 ZINC000237091336 645421790 /nfs/dbraw/zinc/42/17/90/645421790.db2.gz VWPJOEQXWHGRRA-UHFFFAOYSA-N 1 0 389.193 2.023 20 5 GEBDRO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000237847369 645445637 /nfs/dbraw/zinc/44/56/37/645445637.db2.gz TXGBVZMSNREPKN-JTQLQIEISA-N 1 0 389.193 2.153 20 5 GEBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000261921038 645611688 /nfs/dbraw/zinc/61/16/88/645611688.db2.gz ZKGABBCPWIONGN-IUCAKERBSA-N 1 0 389.193 2.009 20 5 GEBDRO COCC[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000277155358 646384306 /nfs/dbraw/zinc/38/43/06/646384306.db2.gz IWKSQMHCLKYUHZ-UHFFFAOYSA-N 1 0 386.246 2.152 20 5 GEBDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292172807 647183723 /nfs/dbraw/zinc/18/37/23/647183723.db2.gz NUOOAGXXXGZBBV-LLVKDONJSA-N 1 0 376.240 2.478 20 5 GEBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000362202936 647568289 /nfs/dbraw/zinc/56/82/89/647568289.db2.gz WKNRZZKEKFLPON-CQSZACIVSA-N 1 0 398.257 2.340 20 5 GEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363258317 647589236 /nfs/dbraw/zinc/58/92/36/647589236.db2.gz FOOLMHVTUAQNFT-IACUBPJLSA-N 1 0 385.873 2.353 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3[C@H]4CCCC[N@H+]4C[C@H]3C2)c(Cl)c1 ZINC000365544125 647675352 /nfs/dbraw/zinc/67/53/52/647675352.db2.gz FGIVBBNVBQFHNP-CORIIIEPSA-N 1 0 385.873 2.353 20 5 GEBDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C[C@H]21 ZINC000377882830 647871337 /nfs/dbraw/zinc/87/13/37/647871337.db2.gz GZKQHNROJBJVPA-NOZJJQNGSA-N 1 0 377.825 2.102 20 5 GEBDRO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000377888403 647872019 /nfs/dbraw/zinc/87/20/19/647872019.db2.gz JKGYULGDEGCYSY-SNVBAGLBSA-N 1 0 377.825 2.246 20 5 GEBDRO CSC1(CNS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC[NH+](C)CC1 ZINC000416485005 648143925 /nfs/dbraw/zinc/14/39/25/648143925.db2.gz YERQLZNWFCNQCF-UHFFFAOYSA-N 1 0 387.527 2.317 20 5 GEBDRO C[NH+](C)CC(C)(C)CNc1c(I)cncc1[N+](=O)[O-] ZINC000418811348 648313542 /nfs/dbraw/zinc/31/35/42/648313542.db2.gz PTRMABFUJLVRBK-UHFFFAOYSA-N 1 0 378.214 2.016 20 5 GEBDRO O=C(CN1CCC[C@@]2(CC[NH2+]C2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000420377595 648414643 /nfs/dbraw/zinc/41/46/43/648414643.db2.gz PUKMFSJVDXJPFY-INIZCTEOSA-N 1 0 397.273 2.371 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)NCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000420448936 648417091 /nfs/dbraw/zinc/41/70/91/648417091.db2.gz MNXRKVMHYMWOQF-UHFFFAOYSA-N 1 0 392.275 2.086 20 5 GEBDRO NC(=O)C[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C1CCOCC1 ZINC000425432617 648677111 /nfs/dbraw/zinc/67/71/11/648677111.db2.gz LECHSEAXZIGRPS-CYBMUJFWSA-N 1 0 386.246 2.118 20 5 GEBDRO C[NH+](C)C[C@@](C)(O)CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000443702127 648884641 /nfs/dbraw/zinc/88/46/41/648884641.db2.gz AKHHLGZSBCIMGL-HNNXBMFYSA-N 1 0 383.246 2.052 20 5 GEBDRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H](C)N1C ZINC000549535404 651098531 /nfs/dbraw/zinc/09/85/31/651098531.db2.gz BFZYUCCPFTXVQA-AOOOYVTPSA-N 1 0 392.275 2.070 20 5 GEBDRO C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)CC[N@@H+]1C ZINC000719385452 651476111 /nfs/dbraw/zinc/47/61/11/651476111.db2.gz HCUURWVLRLGADB-PRHODGIISA-N 1 0 389.193 2.022 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cc(Cl)ccc2OC(F)F)c1 ZINC000567683299 651634349 /nfs/dbraw/zinc/63/43/49/651634349.db2.gz LJYQBPSNVXGZMC-GFCCVEGCSA-N 1 0 376.747 2.197 20 5 GEBDRO C[N@@H+]1CCCN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000610065040 651641375 /nfs/dbraw/zinc/64/13/75/651641375.db2.gz CMZKPUZOEWNUNH-UHFFFAOYSA-N 1 0 399.289 2.115 20 5 GEBDRO CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1Br ZINC000569095368 651700601 /nfs/dbraw/zinc/70/06/01/651700601.db2.gz PUZOEACSTDHNIW-ZDUSSCGKSA-N 1 0 397.273 2.482 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCC2CC(O)C2)c1 ZINC000569892930 651731805 /nfs/dbraw/zinc/73/18/05/651731805.db2.gz VHSAHJDHZTWFOK-UHFFFAOYSA-N 1 0 376.194 2.450 20 5 GEBDRO CC(C)(CCC[NH3+])NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000574443070 652021879 /nfs/dbraw/zinc/02/18/79/652021879.db2.gz ILNNAKYXTHIVSD-UHFFFAOYSA-N 1 0 391.209 2.447 20 5 GEBDRO C[C@@](O)(CO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000619464306 652059550 /nfs/dbraw/zinc/05/95/50/652059550.db2.gz PRWISBXSFYEOAB-HNNXBMFYSA-N 1 0 385.214 2.450 20 5 GEBDRO [NH3+][C@@H]1CCC[C@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000576822841 652145922 /nfs/dbraw/zinc/14/59/22/652145922.db2.gz COIGAPGKRLVOGI-VHRBIJSZSA-N 1 0 397.273 2.355 20 5 GEBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC000752261052 652383059 /nfs/dbraw/zinc/38/30/59/652383059.db2.gz NXLPPUHNFWZUFJ-CQSZACIVSA-N 1 0 393.918 2.272 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)c(Br)c1 ZINC000581488810 652415166 /nfs/dbraw/zinc/41/51/66/652415166.db2.gz ZMBVWDJXJDDKOM-JTQLQIEISA-N 1 0 392.275 2.168 20 5 GEBDRO C[NH+](C)C1(CNC(=O)c2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000583310903 652480927 /nfs/dbraw/zinc/48/09/27/652480927.db2.gz KZGUOLYNBPJRKD-UHFFFAOYSA-N 1 0 389.193 2.023 20 5 GEBDRO CC[NH+]1CCC(CNc2c(I)cncc2[N+](=O)[O-])CC1 ZINC000583921739 652502751 /nfs/dbraw/zinc/50/27/51/652502751.db2.gz KEWJCZZNOOWMBW-UHFFFAOYSA-N 1 0 390.225 2.160 20 5 GEBDRO CCCNC(=O)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589310702 652565452 /nfs/dbraw/zinc/56/54/52/652565452.db2.gz LHZPMTKRLQALRD-UHFFFAOYSA-N 1 0 391.209 2.205 20 5 GEBDRO C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](C[NH3+])C1 ZINC000595118276 652705220 /nfs/dbraw/zinc/70/52/20/652705220.db2.gz OFCJVAFSRDVSFL-KOLCDFICSA-N 1 0 392.275 2.105 20 5 GEBDRO CC[C@H](CC(F)F)C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595545849 652733878 /nfs/dbraw/zinc/73/38/78/652733878.db2.gz KJAVMVDFTNPCLU-GFCCVEGCSA-N 1 0 379.429 2.486 20 5 GEBDRO CC[C@@H](CC(F)F)C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595545850 652733963 /nfs/dbraw/zinc/73/39/63/652733963.db2.gz KJAVMVDFTNPCLU-LBPRGKRZSA-N 1 0 379.429 2.486 20 5 GEBDRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000598722152 652831523 /nfs/dbraw/zinc/83/15/23/652831523.db2.gz AFQVBLASGZOROT-GWCFXTLKSA-N 1 0 379.360 2.116 20 5 GEBDRO Cc1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000599102951 652849623 /nfs/dbraw/zinc/84/96/23/652849623.db2.gz RJRUVSNVWHHVRD-PWSUYJOCSA-N 1 0 381.376 2.051 20 5 GEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599338105 652862305 /nfs/dbraw/zinc/86/23/05/652862305.db2.gz BKAMUSWZRKYRAY-NSHDSACASA-N 1 0 386.246 2.198 20 5 GEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599653863 652881732 /nfs/dbraw/zinc/88/17/32/652881732.db2.gz WDQXMYUSZHWSOK-LLVKDONJSA-N 1 0 388.262 2.444 20 5 GEBDRO CC[NH+](CC)CCOCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599764414 652888541 /nfs/dbraw/zinc/88/85/41/652888541.db2.gz YYRYHZKBRLKDTP-UHFFFAOYSA-N 1 0 388.262 2.446 20 5 GEBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1Br ZINC000602664561 653198779 /nfs/dbraw/zinc/19/87/79/653198779.db2.gz GTJJODNJQFCWJO-MRVPVSSYSA-N 1 0 383.289 2.333 20 5 GEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809822057 653301695 /nfs/dbraw/zinc/30/16/95/653301695.db2.gz WBSKZJZJDAHGBM-SKDRFNHKSA-N 1 0 379.841 2.348 20 5 GEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809822055 653301982 /nfs/dbraw/zinc/30/19/82/653301982.db2.gz WBSKZJZJDAHGBM-CABZTGNLSA-N 1 0 379.841 2.348 20 5 GEBDRO CS[C@H]1CN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@H]1[NH+](C)C ZINC000809828972 653304479 /nfs/dbraw/zinc/30/44/79/653304479.db2.gz WUGHVDKMNLQSHF-NEPJUHHUSA-N 1 0 397.881 2.053 20 5 GEBDRO CC1(C)C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000701034708 653318995 /nfs/dbraw/zinc/31/89/95/653318995.db2.gz OZVCIFFPYNHVTJ-UHFFFAOYSA-N 1 0 389.193 2.023 20 5 GEBDRO O=C(NCCC[NH2+]C1CC1)c1cc([N+](=O)[O-])ccc1I ZINC000701027200 653319097 /nfs/dbraw/zinc/31/90/97/653319097.db2.gz UVYFJMFDVOJDMW-UHFFFAOYSA-N 1 0 389.193 2.071 20 5 GEBDRO C[C@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)C[NH2+]1 ZINC000700981730 653319119 /nfs/dbraw/zinc/31/91/19/653319119.db2.gz HCEHQYWKFIZFDF-IUCAKERBSA-N 1 0 389.193 2.070 20 5 GEBDRO CS(=O)(=O)N1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000811472602 653393928 /nfs/dbraw/zinc/39/39/28/653393928.db2.gz HIVVQHWQYXVUMI-UHFFFAOYSA-N 1 0 382.269 2.415 20 5 GEBDRO O=C1O[C@@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CN1C1CC1 ZINC000877621232 653614278 /nfs/dbraw/zinc/61/42/78/653614278.db2.gz OIUZSGFRJIVLOS-QMMMGPOBSA-N 1 0 376.232 2.492 20 5 GEBDRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000780869018 653634352 /nfs/dbraw/zinc/63/43/52/653634352.db2.gz ZZSYJRXXAHZITQ-SNVBAGLBSA-N 1 0 392.275 2.120 20 5 GEBDRO C[C@@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000814994201 653642367 /nfs/dbraw/zinc/64/23/67/653642367.db2.gz JZVCXABTEWLUIV-JTQLQIEISA-N 1 0 379.841 2.398 20 5 GEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815018636 653644132 /nfs/dbraw/zinc/64/41/32/653644132.db2.gz WDNLOPINAYLMCW-SKDRFNHKSA-N 1 0 379.841 2.348 20 5 GEBDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000815018576 653644161 /nfs/dbraw/zinc/64/41/61/653644161.db2.gz UGHXGZUQQSFILI-ZJUUUORDSA-N 1 0 379.841 2.491 20 5 GEBDRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815024023 653645115 /nfs/dbraw/zinc/64/51/15/653645115.db2.gz PFWVMOHWWRYZGP-JTQLQIEISA-N 1 0 397.856 2.022 20 5 GEBDRO CN1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c2c[nH+]ccc21 ZINC000815024080 653645164 /nfs/dbraw/zinc/64/51/64/653645164.db2.gz RSSUZIUJURYCNB-UHFFFAOYSA-N 1 0 386.792 2.427 20 5 GEBDRO COC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(Br)c1 ZINC000879662735 653677920 /nfs/dbraw/zinc/67/79/20/653677920.db2.gz JZIIZQOHFROKCD-HNNXBMFYSA-N 1 0 396.241 2.496 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H](O)c2cccc(Cl)c2)cc1 ZINC000783909824 653686784 /nfs/dbraw/zinc/68/67/84/653686784.db2.gz PTHNKHFJUPHSOW-INIZCTEOSA-N 1 0 384.841 2.345 20 5 GEBDRO C[C@@H](CC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841233674 653711470 /nfs/dbraw/zinc/71/14/70/653711470.db2.gz CLASULAVSJOPLH-ZETCQYMHSA-N 1 0 378.170 2.058 20 5 GEBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])c(I)c1)C1CC([NH3+])C1 ZINC000841234672 653711781 /nfs/dbraw/zinc/71/17/81/653711781.db2.gz SBBQZWXTFABQCD-UHFFFAOYSA-N 1 0 390.181 2.153 20 5 GEBDRO C[C@H](CCC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841235333 653711908 /nfs/dbraw/zinc/71/19/08/653711908.db2.gz XWKAXHCGESTUQL-MRVPVSSYSA-N 1 0 392.197 2.448 20 5 GEBDRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000841546697 653730995 /nfs/dbraw/zinc/73/09/95/653730995.db2.gz NOGVWVOZFGWRQB-UHFFFAOYSA-N 1 0 375.497 2.470 20 5 GEBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841976195 653743168 /nfs/dbraw/zinc/74/31/68/653743168.db2.gz HIEFGLUQKOWOKP-IINYFYTJSA-N 1 0 397.273 2.423 20 5 GEBDRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000819149109 653744439 /nfs/dbraw/zinc/74/44/39/653744439.db2.gz HAPSQGPFDHZPQB-MRXNPFEDSA-N 1 0 384.841 2.475 20 5 GEBDRO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000842699403 653763558 /nfs/dbraw/zinc/76/35/58/653763558.db2.gz NSSSTJOQLPTMFC-UWVGGRQHSA-N 1 0 392.275 2.024 20 5 GEBDRO CC[C@@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000842798551 653767992 /nfs/dbraw/zinc/76/79/92/653767992.db2.gz RIFVYABNANBEME-BXKDBHETSA-N 1 0 392.275 2.105 20 5 GEBDRO C[C@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCC[NH2+]C1 ZINC000842827313 653770065 /nfs/dbraw/zinc/77/00/65/653770065.db2.gz SDTLRGCQHINJEX-ZDUSSCGKSA-N 1 0 392.275 2.025 20 5 GEBDRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000842841688 653770268 /nfs/dbraw/zinc/77/02/68/653770268.db2.gz PPMDXHQHYRWOSQ-SNVBAGLBSA-N 1 0 392.275 2.107 20 5 GEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000820595640 653777522 /nfs/dbraw/zinc/77/75/22/653777522.db2.gz OCTPJQULNGSZEF-MWLCHTKSSA-N 1 0 381.376 2.417 20 5 GEBDRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000883474446 653841756 /nfs/dbraw/zinc/84/17/56/653841756.db2.gz QLZRBIOBCVOKGS-LLVKDONJSA-N 1 0 392.275 2.120 20 5 GEBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000895610790 653843468 /nfs/dbraw/zinc/84/34/68/653843468.db2.gz ITUFSPBHHAKLPA-LBPRGKRZSA-N 1 0 377.260 2.414 20 5 GEBDRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000884353923 653873824 /nfs/dbraw/zinc/87/38/24/653873824.db2.gz IUBKRFYTHGQQKB-GHMZBOCLSA-N 1 0 389.193 2.055 20 5 GEBDRO C[N@@H+]1C[C@@H]2CN(C(=O)NCc3ccc(Br)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896446388 653880305 /nfs/dbraw/zinc/88/03/05/653880305.db2.gz GAZSFOQWMLKFHG-WBMJQRKESA-N 1 0 397.273 2.450 20 5 GEBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897439738 653921747 /nfs/dbraw/zinc/92/17/47/653921747.db2.gz FEUALCWEMKSYRC-CQSZACIVSA-N 1 0 382.219 2.473 20 5 GEBDRO CN(CC(=O)NC[C@@H](C1CC1)[NH+](C)C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000795374615 653948694 /nfs/dbraw/zinc/94/86/94/653948694.db2.gz ZAQSBJOHMJEGGS-HNNXBMFYSA-N 1 0 399.289 2.250 20 5 GEBDRO C[NH+](C)C1(CS(=O)(=O)Oc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000867554885 653950848 /nfs/dbraw/zinc/95/08/48/653950848.db2.gz CTWRCDFBRKWUPV-UHFFFAOYSA-N 1 0 379.232 2.160 20 5 GEBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795808583 653967935 /nfs/dbraw/zinc/96/79/35/653967935.db2.gz CCFPUQDSFOHYET-JTQLQIEISA-N 1 0 379.841 2.398 20 5 GEBDRO C[NH+]1C[C@]2(C)CN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000827597537 653999173 /nfs/dbraw/zinc/99/91/73/653999173.db2.gz CWRSHOCPEZCGIY-HZPDHXFCSA-N 1 0 397.273 2.353 20 5 GEBDRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000886890910 654007277 /nfs/dbraw/zinc/00/72/77/654007277.db2.gz YOPOIHDGMGLPJU-SNVBAGLBSA-N 1 0 392.275 2.038 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CC(Cc3ccc(Br)cc3)C2)c1 ZINC000899898315 654036070 /nfs/dbraw/zinc/03/60/70/654036070.db2.gz FLTRCYVVTGVIAL-INIZCTEOSA-N 1 0 395.257 2.089 20 5 GEBDRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000850593171 654085273 /nfs/dbraw/zinc/08/52/73/654085273.db2.gz IZNXBBYRNYJPQN-LLVKDONJSA-N 1 0 380.264 2.009 20 5 GEBDRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000851812745 654180636 /nfs/dbraw/zinc/18/06/36/654180636.db2.gz MNQNCAZWXVZPSS-JTQLQIEISA-N 1 0 379.841 2.492 20 5 GEBDRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000903575252 654259165 /nfs/dbraw/zinc/25/91/65/654259165.db2.gz KQLOAWLZDMOIAD-NSHDSACASA-N 1 0 381.376 2.376 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)c(C(F)(F)F)c1 ZINC000903591961 654265286 /nfs/dbraw/zinc/26/52/86/654265286.db2.gz AAGICORLSOORCG-ZDUSSCGKSA-N 1 0 379.360 2.130 20 5 GEBDRO C[C@]1(NC(=O)Nc2ccc([N+](=O)[O-])c(I)c2)CC[NH2+]C1 ZINC000853319931 654292087 /nfs/dbraw/zinc/29/20/87/654292087.db2.gz KYFAQPBLPVDCGN-LBPRGKRZSA-N 1 0 390.181 2.073 20 5 GEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000832765745 654293786 /nfs/dbraw/zinc/29/37/86/654293786.db2.gz ZLBUHBJADKLEJE-SNVBAGLBSA-N 1 0 379.841 2.491 20 5 GEBDRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000832764940 654293801 /nfs/dbraw/zinc/29/38/01/654293801.db2.gz RRJOHWVQXXLHKZ-JTQLQIEISA-N 1 0 379.841 2.491 20 5 GEBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@@H]1C[NH2+]CCC1(F)F ZINC000892155192 654331631 /nfs/dbraw/zinc/33/16/31/654331631.db2.gz BWJSRCBSUKJVDS-LLVKDONJSA-N 1 0 393.188 2.154 20 5 GEBDRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000908029423 654598259 /nfs/dbraw/zinc/59/82/59/654598259.db2.gz JOFIINYJHFZCHB-SECBINFHSA-N 1 0 391.230 2.160 20 5 GEBDRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000933436315 654812922 /nfs/dbraw/zinc/81/29/22/654812922.db2.gz CNZPSEQTXIKGCS-HNNXBMFYSA-N 1 0 383.246 2.137 20 5 GEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC000933794772 654827362 /nfs/dbraw/zinc/82/73/62/654827362.db2.gz QTNFUARCJBAPBA-NSHDSACASA-N 1 0 385.262 2.496 20 5 GEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@](C)(CO)c1cccc(Br)c1 ZINC000934494468 654850975 /nfs/dbraw/zinc/85/09/75/654850975.db2.gz PJUSVHVVKLAJDX-HNNXBMFYSA-N 1 0 383.246 2.360 20 5 GEBDRO Cc1cnc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c([N+](=O)[O-])c1 ZINC001164814124 720211826 /nfs/dbraw/zinc/21/18/26/720211826.db2.gz STIQYEGZDJPXIO-UHFFFAOYSA-N 1 0 386.456 2.105 20 5 GEBDRO Cc1cnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001164821629 720291628 /nfs/dbraw/zinc/29/16/28/720291628.db2.gz LPAMWXFDJPUXTP-DLBZAZTESA-N 1 0 387.484 2.210 20 5 GEBDRO COC(=O)c1cnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001164723576 720360508 /nfs/dbraw/zinc/36/05/08/720360508.db2.gz IAACNQMAYGTLCE-CVEARBPZSA-N 1 0 383.408 2.025 20 5 GEBDRO CCOC(=O)c1ccnc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164732258 720469440 /nfs/dbraw/zinc/46/94/40/720469440.db2.gz YVNIVLKYWMVVPY-IRXDYDNUSA-N 1 0 397.435 2.415 20 5 GEBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)C1 ZINC001164731790 720523137 /nfs/dbraw/zinc/52/31/37/720523137.db2.gz ANNFXCUJQAGIBI-OAHLLOKOSA-N 1 0 393.451 2.446 20 5 GEBDRO Cc1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164737079 720665184 /nfs/dbraw/zinc/66/51/84/720665184.db2.gz CXXISUSRNQJIMZ-OLZOCXBDSA-N 1 0 390.831 2.084 20 5 GEBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164746381 720748250 /nfs/dbraw/zinc/74/82/50/720748250.db2.gz XSNDYZLFGXYOEY-IAGOWNOFSA-N 1 0 392.419 2.275 20 5 GEBDRO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c([N+](=O)[O-])c1 ZINC001164747771 720811777 /nfs/dbraw/zinc/81/17/77/720811777.db2.gz PJSHCQQYYUGBJG-RCCFBDPRSA-N 1 0 397.483 2.269 20 5 GEBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)CC[C@@H]2C1 ZINC001164858208 720848484 /nfs/dbraw/zinc/84/84/84/720848484.db2.gz ZCJYOZCWNUORQJ-APWZRJJASA-N 1 0 386.452 2.317 20 5 GEBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164860524 720963374 /nfs/dbraw/zinc/96/33/74/720963374.db2.gz QMLLZODZJMOHCV-CYBMUJFWSA-N 1 0 389.460 2.320 20 5 GEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867624 721098693 /nfs/dbraw/zinc/09/86/93/721098693.db2.gz YURFMKSALSZBDJ-ROUUACIJSA-N 1 0 383.452 2.481 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(Cl)cc([N+](=O)[O-])n4)C[C@H]3C2)cn1 ZINC001164761713 721109938 /nfs/dbraw/zinc/10/99/38/721109938.db2.gz APLHYQJOQFLDSU-ZIAGYGMSSA-N 1 0 376.848 2.335 20 5 GEBDRO Cc1cnc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c([N+](=O)[O-])c1 ZINC001164886744 721383476 /nfs/dbraw/zinc/38/34/76/721383476.db2.gz GAYSTFARLHCTIX-PXNSSMCTSA-N 1 0 389.500 2.064 20 5 GEBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])C[C@H]21 ZINC001165027670 721800830 /nfs/dbraw/zinc/80/08/30/721800830.db2.gz XFMWWIWENSCMGL-KFKAGJAMSA-N 1 0 383.452 2.360 20 5 GEBDRO CCOC(=O)c1nc(Cl)nc(N2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC001165030404 721853185 /nfs/dbraw/zinc/85/31/85/721853185.db2.gz WDGYAAYROSXLOK-UHFFFAOYSA-N 1 0 383.836 2.280 20 5 GEBDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001164928998 721857961 /nfs/dbraw/zinc/85/79/61/721857961.db2.gz PNCMZWXDXPFAOG-KGLIPLIRSA-N 1 0 389.834 2.403 20 5 GEBDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001164934770 721883167 /nfs/dbraw/zinc/88/31/67/721883167.db2.gz TXIIASJVWPSCNL-OALUTQOASA-N 1 0 382.468 2.266 20 5 GEBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(F)c1 ZINC001164982544 722110052 /nfs/dbraw/zinc/11/00/52/722110052.db2.gz WZROOKZCQFBGHA-MAUKXSAKSA-N 1 0 387.415 2.251 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000156223264 531723119 /nfs/dbraw/zinc/72/31/19/531723119.db2.gz LWYUGEQPOMTYBY-IUCAKERBSA-N 1 0 392.275 2.037 20 5 GEBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000157574025 531746147 /nfs/dbraw/zinc/74/61/47/531746147.db2.gz ILBTWLYFGKCTOK-PRHODGIISA-N 1 0 389.193 2.057 20 5 GEBDRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000163360179 531857741 /nfs/dbraw/zinc/85/77/41/531857741.db2.gz DITABLYZIDJQTC-JTQLQIEISA-N 1 0 381.376 2.186 20 5 GEBDRO Cc1c(Br)cc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000121320242 532023724 /nfs/dbraw/zinc/02/37/24/532023724.db2.gz HSXMWTNNMULZDR-LLVKDONJSA-N 1 0 399.289 2.031 20 5 GEBDRO C[N@H+](CCc1ccc(Br)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173708509 532027571 /nfs/dbraw/zinc/02/75/71/532027571.db2.gz JOAZCWYMNSVSNO-OAHLLOKOSA-N 1 0 383.246 2.089 20 5 GEBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000131228757 532194572 /nfs/dbraw/zinc/19/45/72/532194572.db2.gz QZFYSHWUPIHVQY-JTQLQIEISA-N 1 0 392.275 2.072 20 5 GEBDRO Cc1c([C@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000181634663 532304143 /nfs/dbraw/zinc/30/41/43/532304143.db2.gz QWYQNBZCXFYJSX-STQMWFEESA-N 1 0 384.479 2.450 20 5 GEBDRO C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000591242849 532402601 /nfs/dbraw/zinc/40/26/01/532402601.db2.gz MYHFIAGLWGXUQW-AWEZNQCLSA-N 1 0 396.241 2.012 20 5 GEBDRO Cc1c(NC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000591304623 532405876 /nfs/dbraw/zinc/40/58/76/532405876.db2.gz LMOSZAQPGCSRMR-TVQRCGJNSA-N 1 0 387.234 2.246 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000517582696 532420961 /nfs/dbraw/zinc/42/09/61/532420961.db2.gz RLEFILISHJCEHO-PSASIEDQSA-N 1 0 392.275 2.166 20 5 GEBDRO COc1cc(C[NH2+]CC2([S@](C)=O)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000281813751 532435800 /nfs/dbraw/zinc/43/58/00/532435800.db2.gz QJHRQJQITPXULZ-VWLOTQADSA-N 1 0 378.397 2.248 20 5 GEBDRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000466871566 532436454 /nfs/dbraw/zinc/43/64/54/532436454.db2.gz STAAVTZJCMYBLV-UHFFFAOYSA-N 1 0 391.515 2.168 20 5 GEBDRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000594476766 532509480 /nfs/dbraw/zinc/50/94/80/532509480.db2.gz ZITHMEBDOKWEHS-JGZJWPJOSA-N 1 0 381.376 2.232 20 5 GEBDRO [NH3+]CC1(NC(=O)c2cc([N+](=O)[O-])ccc2I)CCCC1 ZINC000238019723 532515069 /nfs/dbraw/zinc/51/50/69/532515069.db2.gz IARKRPCBZRLGEG-UHFFFAOYSA-N 1 0 389.193 2.201 20 5 GEBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000563106776 532497876 /nfs/dbraw/zinc/49/78/76/532497876.db2.gz BXRJPYGVBFHMLG-LLVKDONJSA-N 1 0 389.193 2.023 20 5 GEBDRO C[C@H]([NH3+])[C@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000430586757 532501556 /nfs/dbraw/zinc/50/15/56/532501556.db2.gz XHNVLAJLZAQTLR-QWRGUYRKSA-N 1 0 385.262 2.355 20 5 GEBDRO C[N@H+]1C[C@H]2CN(Cc3cc(I)cc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000522037138 532522351 /nfs/dbraw/zinc/52/23/51/532522351.db2.gz FCSMKHYYRXGIPJ-TXEJJXNPSA-N 1 0 387.221 2.193 20 5 GEBDRO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000262032197 532582825 /nfs/dbraw/zinc/58/28/25/532582825.db2.gz ODQOGOPBPJSBDG-UHFFFAOYSA-N 1 0 383.857 2.440 20 5 GEBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000565945024 532585447 /nfs/dbraw/zinc/58/54/47/532585447.db2.gz AOONHEGKFIETOX-NSHDSACASA-N 1 0 389.193 2.070 20 5 GEBDRO C[C@@H](Cc1ccccc1Br)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000566116492 532593366 /nfs/dbraw/zinc/59/33/66/532593366.db2.gz VTNNANYDKIVJGV-FZMZJTMJSA-N 1 0 383.246 2.136 20 5 GEBDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)C[C@@H]21 ZINC000375710746 532577364 /nfs/dbraw/zinc/57/73/64/532577364.db2.gz MWAIPPXZVIYTIA-CABZTGNLSA-N 1 0 377.825 2.102 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262751709 532599258 /nfs/dbraw/zinc/59/92/58/532599258.db2.gz GPAWNHNACJWAMX-ZJUUUORDSA-N 1 0 392.275 2.037 20 5 GEBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000474187370 532609625 /nfs/dbraw/zinc/60/96/25/532609625.db2.gz DEWTVBZCTIBXDE-UHFFFAOYSA-N 1 0 394.291 2.368 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000376644990 532622791 /nfs/dbraw/zinc/62/27/91/532622791.db2.gz SUMSFXNYDGFURK-JTQLQIEISA-N 1 0 377.825 2.246 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H]2c2cccc(Br)c2)c1 ZINC000378642538 532700442 /nfs/dbraw/zinc/70/04/42/532700442.db2.gz GKIMILLMEVHIPS-HUUCEWRRSA-N 1 0 381.230 2.362 20 5 GEBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440355721 532712396 /nfs/dbraw/zinc/71/23/96/532712396.db2.gz HXZDIEAGWHYGPI-LLVKDONJSA-N 1 0 392.275 2.120 20 5 GEBDRO O=C(C[NH2+][C@@H]1CCC[C@@H]1CCO)Nc1ccc([N+](=O)[O-])cc1Br ZINC000502856017 532742154 /nfs/dbraw/zinc/74/21/54/532742154.db2.gz NKTCMGXDQGKOAI-ZWNOBZJWSA-N 1 0 386.246 2.437 20 5 GEBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301707606 532757152 /nfs/dbraw/zinc/75/71/52/532757152.db2.gz JCJIHVDJWRHUMV-HNNXBMFYSA-N 1 0 397.273 2.100 20 5 GEBDRO C[C@@H]1C[N@@H+](C2CCN(c3c(Br)cncc3[N+](=O)[O-])CC2)CCO1 ZINC000301988659 532764709 /nfs/dbraw/zinc/76/47/09/532764709.db2.gz NYMXGOCECKGQSE-LLVKDONJSA-N 1 0 385.262 2.442 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(c3cccc(Br)c3)CC2)c1 ZINC000584227603 532767110 /nfs/dbraw/zinc/76/71/10/532767110.db2.gz XZPNFJPFKSFXBW-OAHLLOKOSA-N 1 0 395.257 2.236 20 5 GEBDRO [NH3+]CCCOC1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000322853745 532788537 /nfs/dbraw/zinc/78/85/37/532788537.db2.gz QTCIEEINUMXLOR-UHFFFAOYSA-N 1 0 386.246 2.327 20 5 GEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1SC ZINC000270412601 532798131 /nfs/dbraw/zinc/79/81/31/532798131.db2.gz BLLAAZKAQGOFGQ-DOMZBBRYSA-N 1 0 385.511 2.443 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000287907787 532813003 /nfs/dbraw/zinc/81/30/03/532813003.db2.gz ZYZZSLNCJNGELN-GXFFZTMASA-N 1 0 382.360 2.068 20 5 GEBDRO CS[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1[NH+]1CCCC1 ZINC000332082689 532848680 /nfs/dbraw/zinc/84/86/80/532848680.db2.gz OHDDNILELFMXQC-CVEARBPZSA-N 1 0 385.511 2.104 20 5 GEBDRO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000420455109 532883788 /nfs/dbraw/zinc/88/37/88/532883788.db2.gz XEGSOOGLJBHDJP-LLVKDONJSA-N 1 0 380.264 2.009 20 5 GEBDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000290738509 532888185 /nfs/dbraw/zinc/88/81/85/532888185.db2.gz LUNJQMBZWBFBOH-MFKMUULPSA-N 1 0 391.852 2.492 20 5 GEBDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000290759388 532888772 /nfs/dbraw/zinc/88/87/72/532888772.db2.gz NJKBXFZCCOUAEK-UWVGGRQHSA-N 1 0 379.841 2.491 20 5 GEBDRO COCCOCCOCC[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000276202397 532890606 /nfs/dbraw/zinc/89/06/06/532890606.db2.gz NWOYOIKCZYUHRH-UHFFFAOYSA-N 1 0 391.262 2.469 20 5 GEBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000370093679 532942184 /nfs/dbraw/zinc/94/21/84/532942184.db2.gz TZTAPCLKRQCRKA-ILWJIGKKSA-N 1 0 390.259 2.000 20 5 GEBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(-c2nn[nH]n2)c1 ZINC000738367970 598502645 /nfs/dbraw/zinc/50/26/45/598502645.db2.gz AEDSSZNQWJLYFM-AWEZNQCLSA-N 1 0 386.460 2.262 20 5 GEBDRO C[C@@H]([NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000820411311 599693967 /nfs/dbraw/zinc/69/39/67/599693967.db2.gz IPSFUJSNFAEEFN-CYBMUJFWSA-N 1 0 394.439 2.490 20 5 GEBDRO C[C@@H]1C[NH+](C(C)(C)CNc2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)C[C@@H](C)O1 ZINC000824976848 607449885 /nfs/dbraw/zinc/44/98/85/607449885.db2.gz PBQCVWVXFZUTDL-VXGBXAGGSA-N 1 0 375.433 2.075 20 5 GEBDRO CC[N@H+](CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(C)C ZINC000444176355 649939400 /nfs/dbraw/zinc/93/94/00/649939400.db2.gz OPFSUTWVISKAFZ-UHFFFAOYSA-N 1 0 394.291 2.366 20 5 GEBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCC[N@@H+]1CCCOCC1 ZINC000445667758 649963401 /nfs/dbraw/zinc/96/34/01/649963401.db2.gz HZBXJZYAYIASRV-UHFFFAOYSA-N 1 0 395.257 2.462 20 5 GEBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000823620287 606704048 /nfs/dbraw/zinc/70/40/48/606704048.db2.gz JMXIZIPKWIPRDO-UHFFFAOYSA-N 1 0 394.439 2.494 20 5 GEBDRO C[C@@H]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000820727152 606713498 /nfs/dbraw/zinc/71/34/98/606713498.db2.gz HTXYWNDARRVAQW-CQSZACIVSA-N 1 0 394.439 2.271 20 5 GEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000820225492 607055681 /nfs/dbraw/zinc/05/56/81/607055681.db2.gz JTNRWRNIBGXUPC-LLVKDONJSA-N 1 0 399.386 2.421 20 5 GEBDRO C[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000820280929 607166825 /nfs/dbraw/zinc/16/68/25/607166825.db2.gz PNTULIMLZXPEJR-SNVBAGLBSA-N 1 0 386.441 2.090 20 5 GEBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000824586283 608468559 /nfs/dbraw/zinc/46/85/59/608468559.db2.gz XKGYRYBBDIOGGM-GFCCVEGCSA-N 1 0 381.396 2.454 20 5 GEBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447018690 649994286 /nfs/dbraw/zinc/99/42/86/649994286.db2.gz VYKMXLKDQTYKCP-UHFFFAOYSA-N 1 0 394.291 2.368 20 5 GEBDRO CCNC(=O)C(C)(C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000453598472 650209779 /nfs/dbraw/zinc/20/97/79/650209779.db2.gz AHAWCJDPXJAEKG-UHFFFAOYSA-N 1 0 391.209 2.204 20 5 GEBDRO CC[NH+]1CCN([C@H](C)CNc2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000543450050 650422861 /nfs/dbraw/zinc/42/28/61/650422861.db2.gz YEBVCGMHRIBPJG-LLVKDONJSA-N 1 0 386.294 2.499 20 5 GEBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CS1 ZINC000488416976 650745893 /nfs/dbraw/zinc/74/58/93/650745893.db2.gz JKJULRSTCZCUDY-WFASDCNBSA-N 1 0 387.527 2.383 20 5 GEBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000532574522 650750433 /nfs/dbraw/zinc/75/04/33/650750433.db2.gz CBQYJTGTVLRYPC-ZDUSSCGKSA-N 1 0 397.273 2.464 20 5 GEBDRO C[C@]1(CO)CCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000493412668 650793719 /nfs/dbraw/zinc/79/37/19/650793719.db2.gz NLQOFLMAVUBGOX-UKRRQHHQSA-N 1 0 386.246 2.437 20 5 GEBDRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000066000844 642893836 /nfs/dbraw/zinc/89/38/36/642893836.db2.gz BQDQSGZGTHMFPI-UHFFFAOYSA-N 1 0 385.467 2.075 20 5 GEBDRO O=C(C[NH2+][C@H]1CCO[C@@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000494438079 650808390 /nfs/dbraw/zinc/80/83/90/650808390.db2.gz QDAPRJNVWOHAMX-DZGCQCFKSA-N 1 0 384.230 2.453 20 5 GEBDRO C[NH+](C)CCn1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)n1 ZINC000102247523 643125969 /nfs/dbraw/zinc/12/59/69/643125969.db2.gz GCUNZZZSPXIPEQ-UHFFFAOYSA-N 1 0 382.218 2.368 20 5 GEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)NC(C)C ZINC000539093319 650842032 /nfs/dbraw/zinc/84/20/32/650842032.db2.gz JQPHWZMPHFLQGY-CYBMUJFWSA-N 1 0 375.516 2.383 20 5 GEBDRO COCC[NH+]1CCC(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000119074799 643533604 /nfs/dbraw/zinc/53/36/04/643533604.db2.gz JHJMGMUDUAVLFC-UHFFFAOYSA-N 1 0 386.246 2.198 20 5 GEBDRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000121573499 643635665 /nfs/dbraw/zinc/63/56/65/643635665.db2.gz UOIQDPSRNMLZHL-UHFFFAOYSA-N 1 0 394.291 2.368 20 5 GEBDRO CS[C@@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000541062739 650870404 /nfs/dbraw/zinc/87/04/04/650870404.db2.gz VMLZHTPGJHDLRI-DGCLKSJQSA-N 1 0 375.397 2.314 20 5 GEBDRO C[N@@H+]1CC[C@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000499155845 650875083 /nfs/dbraw/zinc/87/50/83/650875083.db2.gz JQSYPHKXYVZWTP-VIFPVBQESA-N 1 0 399.274 2.447 20 5 GEBDRO Cc1c(Br)c(N2CCC([N@H+](C)CCCO)CC2)ncc1[N+](=O)[O-] ZINC000541577296 650878063 /nfs/dbraw/zinc/87/80/63/650878063.db2.gz QJFSHGUYSBMBFK-UHFFFAOYSA-N 1 0 387.278 2.344 20 5 GEBDRO O=[N+]([O-])c1ccc(Cl)cc1CNCCS(=O)(=O)NCc1ccccc1 ZINC000152112544 643963409 /nfs/dbraw/zinc/96/34/09/643963409.db2.gz TUTRESJYNRRTCG-UHFFFAOYSA-N 1 0 383.857 2.457 20 5 GEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CCO)c1ccccc1Br ZINC000542880997 650893163 /nfs/dbraw/zinc/89/31/63/650893163.db2.gz IRWOWNVEDZRYEO-HNNXBMFYSA-N 1 0 396.241 2.232 20 5 GEBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)[N@H+](C)C1CC1 ZINC000170787966 644287073 /nfs/dbraw/zinc/28/70/73/644287073.db2.gz FPZLGLXLHAHFES-VIFPVBQESA-N 1 0 392.275 2.118 20 5 GEBDRO CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2I)CC[NH2+]1 ZINC000175392426 644389822 /nfs/dbraw/zinc/38/98/22/644389822.db2.gz IUWWASATRYFZLQ-UHFFFAOYSA-N 1 0 389.193 2.023 20 5 GEBDRO C[NH+](C)CCN1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000181846413 644948953 /nfs/dbraw/zinc/94/89/53/644948953.db2.gz DOBIVKYPTXYOPN-UHFFFAOYSA-N 1 0 386.905 2.046 20 5 GEBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000193510638 645280273 /nfs/dbraw/zinc/28/02/73/645280273.db2.gz DZELSKKDXSTPLO-PELKAZGASA-N 1 0 389.193 2.070 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000236624151 645414617 /nfs/dbraw/zinc/41/46/17/645414617.db2.gz XRKKFJSGZJIFGZ-SNVBAGLBSA-N 1 0 394.291 2.317 20 5 GEBDRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000237328535 645428239 /nfs/dbraw/zinc/42/82/39/645428239.db2.gz VVCVTKABLHSEEY-ZJUUUORDSA-N 1 0 392.275 2.105 20 5 GEBDRO CC[NH+]1CCN(C[C@H](C)CNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000268454887 645970150 /nfs/dbraw/zinc/97/01/50/645970150.db2.gz BTFWPNLHZYULGM-GFCCVEGCSA-N 1 0 386.294 2.438 20 5 GEBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[NH+](C)C ZINC000283553291 646824745 /nfs/dbraw/zinc/82/47/45/646824745.db2.gz JDLNKUSDUAJFHH-QMMMGPOBSA-N 1 0 391.209 2.188 20 5 GEBDRO C[N@H+](CCCCNc1c(I)cncc1[N+](=O)[O-])C1CC1 ZINC000418959997 648325493 /nfs/dbraw/zinc/32/54/93/648325493.db2.gz DUXUGHVBAKJSTL-UHFFFAOYSA-N 1 0 390.225 2.303 20 5 GEBDRO CON1CCC([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000421409807 648490457 /nfs/dbraw/zinc/49/04/57/648490457.db2.gz NSDQYDQYKIHTRL-UHFFFAOYSA-N 1 0 391.209 2.315 20 5 GEBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423657033 648598383 /nfs/dbraw/zinc/59/83/83/648598383.db2.gz XZGUVWBATVPFIY-UFBFGSQYSA-N 1 0 389.193 2.070 20 5 GEBDRO [NH3+][C@@H]1CCC[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000566223583 651604008 /nfs/dbraw/zinc/60/40/08/651604008.db2.gz RKRSZHIYGYCQKJ-GXSJLCMTSA-N 1 0 381.376 2.409 20 5 GEBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000610064741 651641357 /nfs/dbraw/zinc/64/13/57/651641357.db2.gz UQSQVUNZZHUETI-LLVKDONJSA-N 1 0 386.246 2.198 20 5 GEBDRO C[NH+]1CCC(N2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000610512386 651666891 /nfs/dbraw/zinc/66/68/91/651666891.db2.gz UXJJTLNNSVPPGN-LLVKDONJSA-N 1 0 384.278 2.333 20 5 GEBDRO COC(=O)C(C)(C)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000580060159 652365218 /nfs/dbraw/zinc/36/52/18/652365218.db2.gz SVILOLATWJMVLW-UHFFFAOYSA-N 1 0 392.193 2.488 20 5 GEBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000580073388 652365955 /nfs/dbraw/zinc/36/59/55/652365955.db2.gz IVMQAWQDYUUCRZ-ONGXEEELSA-N 1 0 381.376 2.409 20 5 GEBDRO CC[NH+](CC)CCOCCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000758583381 652547920 /nfs/dbraw/zinc/54/79/20/652547920.db2.gz PNRWBLPTDZWBHT-UHFFFAOYSA-N 1 0 393.893 2.193 20 5 GEBDRO CO[C@]1(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCOC1 ZINC000589317813 652565714 /nfs/dbraw/zinc/56/57/14/652565714.db2.gz KLHSCMVWOVFEOL-ZDUSSCGKSA-N 1 0 392.193 2.095 20 5 GEBDRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000592388263 652592707 /nfs/dbraw/zinc/59/27/07/652592707.db2.gz FNMXFJHBWLOIOP-NSHDSACASA-N 1 0 392.275 2.249 20 5 GEBDRO [NH3+]CC1(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)CCCC1 ZINC000592470660 652597034 /nfs/dbraw/zinc/59/70/34/652597034.db2.gz BCJGCUJZGRLRIJ-UHFFFAOYSA-N 1 0 389.193 2.201 20 5 GEBDRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000596052643 652752452 /nfs/dbraw/zinc/75/24/52/652752452.db2.gz VXNYQHYWGSCJMQ-MRVPVSSYSA-N 1 0 396.174 2.412 20 5 GEBDRO CC(C)C[NH2+]C1(CO)CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000596253398 652755896 /nfs/dbraw/zinc/75/58/96/652755896.db2.gz SGEFLYZVNDTAQE-UHFFFAOYSA-N 1 0 387.278 2.329 20 5 GEBDRO O=[N+]([O-])c1cc(Br)cnc1N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000596267202 652756780 /nfs/dbraw/zinc/75/67/80/652756780.db2.gz ZFKJKCYNXRQJFT-UHFFFAOYSA-N 1 0 385.262 2.083 20 5 GEBDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000597223946 652776141 /nfs/dbraw/zinc/77/61/41/652776141.db2.gz YHPBURJSWCNEEP-JGZJWPJOSA-N 1 0 390.177 2.241 20 5 GEBDRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000598722153 652831748 /nfs/dbraw/zinc/83/17/48/652831748.db2.gz AFQVBLASGZOROT-GXFFZTMASA-N 1 0 379.360 2.116 20 5 GEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccnc(Cl)c1 ZINC000765401448 652838013 /nfs/dbraw/zinc/83/80/13/652838013.db2.gz KXVWWLCLCXKCIJ-LLVKDONJSA-N 1 0 384.845 2.272 20 5 GEBDRO CC[NH+]1CCN(CCCNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599066275 652847149 /nfs/dbraw/zinc/84/71/49/652847149.db2.gz SQDPPBMLGFVBIP-UHFFFAOYSA-N 1 0 399.289 2.115 20 5 GEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000599102952 652849549 /nfs/dbraw/zinc/84/95/49/652849549.db2.gz RJRUVSNVWHHVRD-ZYHUDNBSSA-N 1 0 381.376 2.051 20 5 GEBDRO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H]1C[C@@H](O)C1 ZINC000599655786 652882535 /nfs/dbraw/zinc/88/25/35/652882535.db2.gz PHBIBDBUDJQUKG-GSJFWJNXSA-N 1 0 376.194 2.402 20 5 GEBDRO CS[C@H]1CN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000601396533 653090972 /nfs/dbraw/zinc/09/09/72/653090972.db2.gz FPPWTVNQZJWZQE-RYUDHWBXSA-N 1 0 391.540 2.165 20 5 GEBDRO O=[N+]([O-])c1cccc(Br)c1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000769327653 653149018 /nfs/dbraw/zinc/14/90/18/653149018.db2.gz KJWHBEBNZAXYFB-HOTGVXAUSA-N 1 0 384.274 2.388 20 5 GEBDRO [NH3+]C[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC12CCOCC2 ZINC000602496646 653186878 /nfs/dbraw/zinc/18/68/78/653186878.db2.gz OXTBVCWQIQDAIO-LLVKDONJSA-N 1 0 398.257 2.185 20 5 GEBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CCCN(CCCO)C2)cc1Br ZINC000602672731 653199594 /nfs/dbraw/zinc/19/95/94/653199594.db2.gz GTSBNFXFFYBTAW-SNVBAGLBSA-N 1 0 378.292 2.355 20 5 GEBDRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809702584 653290243 /nfs/dbraw/zinc/29/02/43/653290243.db2.gz WDOYSNFVIDJDNB-JSGCOSHPSA-N 1 0 375.878 2.446 20 5 GEBDRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809817532 653300404 /nfs/dbraw/zinc/30/04/04/653300404.db2.gz DUFYNYJOKMFYNO-JTQLQIEISA-N 1 0 379.841 2.350 20 5 GEBDRO CS[C@@H]1CN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@H]1[NH+](C)C ZINC000809828975 653304578 /nfs/dbraw/zinc/30/45/78/653304578.db2.gz WUGHVDKMNLQSHF-VXGBXAGGSA-N 1 0 397.881 2.053 20 5 GEBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000700973731 653318665 /nfs/dbraw/zinc/31/86/65/653318665.db2.gz HDMNONXYWCCSLT-NSHDSACASA-N 1 0 389.193 2.070 20 5 GEBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCCN1CCCS1(=O)=O ZINC000811480591 653394312 /nfs/dbraw/zinc/39/43/12/653394312.db2.gz ZLPSCHDXINFJNF-UHFFFAOYSA-N 1 0 382.269 2.417 20 5 GEBDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000815597069 653662024 /nfs/dbraw/zinc/66/20/24/653662024.db2.gz LPGBEUGVQRROCX-LLVKDONJSA-N 1 0 384.483 2.176 20 5 GEBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCC1 ZINC000782482555 653662367 /nfs/dbraw/zinc/66/23/67/653662367.db2.gz KDGRJUNUKFARIC-UHFFFAOYSA-N 1 0 392.275 2.120 20 5 GEBDRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000840951743 653703465 /nfs/dbraw/zinc/70/34/65/653703465.db2.gz AIZMPMSXGMVSAW-AAEUAGOBSA-N 1 0 392.275 2.118 20 5 GEBDRO CN(CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)CC1(C)COC1 ZINC000863296154 653705723 /nfs/dbraw/zinc/70/57/23/653705723.db2.gz JWRNZRXWIBTTSN-UHFFFAOYSA-N 1 0 384.230 2.239 20 5 GEBDRO CC(C)([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841233737 653711401 /nfs/dbraw/zinc/71/14/01/653711401.db2.gz FSNIWUFCEINNQS-UHFFFAOYSA-N 1 0 378.170 2.058 20 5 GEBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841233932 653711585 /nfs/dbraw/zinc/71/15/85/653711585.db2.gz LECGQPNVFPBRCH-XVKPBYJWSA-N 1 0 390.181 2.153 20 5 GEBDRO CC[NH2+][C@H](C)CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841983414 653743152 /nfs/dbraw/zinc/74/31/52/653743152.db2.gz DAZSQIMLZLWBRO-SNVBAGLBSA-N 1 0 385.262 2.423 20 5 GEBDRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000819736026 653756531 /nfs/dbraw/zinc/75/65/31/653756531.db2.gz AIGXKRFFOXOMLV-BXUZGUMPSA-N 1 0 385.262 2.051 20 5 GEBDRO CC(C)[NH2+]CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842708202 653763861 /nfs/dbraw/zinc/76/38/61/653763861.db2.gz PDWDMGPQZCZLLQ-UHFFFAOYSA-N 1 0 380.264 2.024 20 5 GEBDRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000842838085 653770305 /nfs/dbraw/zinc/77/03/05/653770305.db2.gz HLCFKWRJVFELFO-SNVBAGLBSA-N 1 0 392.275 2.107 20 5 GEBDRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000842859336 653770820 /nfs/dbraw/zinc/77/08/20/653770820.db2.gz GTNBJBSNFOKEQI-JTQLQIEISA-N 1 0 392.275 2.249 20 5 GEBDRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000842869294 653771147 /nfs/dbraw/zinc/77/11/47/653771147.db2.gz ITVGQZAHDGGOSS-SECBINFHSA-N 1 0 380.264 2.153 20 5 GEBDRO CN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000865713407 653772460 /nfs/dbraw/zinc/77/24/60/653772460.db2.gz PRPNIDFANJTNRW-OAHLLOKOSA-N 1 0 382.258 2.452 20 5 GEBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)C2)C1 ZINC000820609671 653777715 /nfs/dbraw/zinc/77/77/15/653777715.db2.gz RRKHRNSYLYSBDE-MRXNPFEDSA-N 1 0 397.273 2.497 20 5 GEBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](O)c1c(Cl)cccc1Cl ZINC000843104253 653779500 /nfs/dbraw/zinc/77/95/00/653779500.db2.gz OMVPQKGQELKPOD-ISOBSLSZSA-N 1 0 389.239 2.171 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866828701 653834322 /nfs/dbraw/zinc/83/43/22/653834322.db2.gz XPIAWKVSOOESBB-GHMZBOCLSA-N 1 0 380.253 2.417 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866828706 653834344 /nfs/dbraw/zinc/83/43/44/653834344.db2.gz XPIAWKVSOOESBB-MNOVXSKESA-N 1 0 380.253 2.417 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000884956284 653897838 /nfs/dbraw/zinc/89/78/38/653897838.db2.gz ZQKSOAUMWPWYCL-NXEZZACHSA-N 1 0 377.825 2.292 20 5 GEBDRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795837509 653969684 /nfs/dbraw/zinc/96/96/84/653969684.db2.gz IZBZVQUOFNTIFE-JTQLQIEISA-N 1 0 379.841 2.350 20 5 GEBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000848376693 653973684 /nfs/dbraw/zinc/97/36/84/653973684.db2.gz HBJUSPNNAGGMGB-LLVKDONJSA-N 1 0 388.262 2.180 20 5 GEBDRO CN(CC(=O)NCC1CC[NH+](C)CC1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000795939836 653978875 /nfs/dbraw/zinc/97/88/75/653978875.db2.gz IWXLDTOIXNNDII-UHFFFAOYSA-N 1 0 399.289 2.252 20 5 GEBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C12CCC2 ZINC000898832971 653987766 /nfs/dbraw/zinc/98/77/66/653987766.db2.gz YWKPKTJKCJICJN-NWDGAFQWSA-N 1 0 383.246 2.355 20 5 GEBDRO COCCC1(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000868043468 654015771 /nfs/dbraw/zinc/01/57/71/654015771.db2.gz JAQHKGSNLALADT-UHFFFAOYSA-N 1 0 386.246 2.246 20 5 GEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889770373 654171351 /nfs/dbraw/zinc/17/13/51/654171351.db2.gz ZVATXQULKOAUAH-LSDHHAIUSA-N 1 0 398.257 2.029 20 5 GEBDRO CN(CCC[NH+](C)C)C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000803030185 654260524 /nfs/dbraw/zinc/26/05/24/654260524.db2.gz MTZKBUDUFYNEQD-UHFFFAOYSA-N 1 0 387.278 2.204 20 5 GEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC[N@@H+](C2CC2)C1 ZINC000832949800 654300995 /nfs/dbraw/zinc/30/09/95/654300995.db2.gz PCYHAIPXCQTOGK-JTQLQIEISA-N 1 0 383.246 2.309 20 5 GEBDRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000904470663 654312188 /nfs/dbraw/zinc/31/21/88/654312188.db2.gz ONDJYZSHERYGEE-LBPRGKRZSA-N 1 0 387.234 2.200 20 5 GEBDRO O=C1OC[C@]2(C[NH2+]Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])COCCN12 ZINC000872261028 654320483 /nfs/dbraw/zinc/32/04/83/654320483.db2.gz HNFBCNWBLAYKDL-AWEZNQCLSA-N 1 0 376.196 2.212 20 5 GEBDRO O=C(NCCC1=CC[NH2+]CC1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000892100489 654328357 /nfs/dbraw/zinc/32/83/57/654328357.db2.gz JDJVKAUIONECBJ-UHFFFAOYSA-N 1 0 383.246 2.466 20 5 GEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000854650144 654373239 /nfs/dbraw/zinc/37/32/39/654373239.db2.gz NUTAQWXNDYSTOR-WCQYABFASA-N 1 0 399.289 2.345 20 5 GEBDRO CN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@H]1C[NH+]2CCC1CC2 ZINC000932540123 654780738 /nfs/dbraw/zinc/78/07/38/654780738.db2.gz UWUWYUVRXANTCF-ZDUSSCGKSA-N 1 0 383.246 2.106 20 5 GEBDRO Cn1cc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)c([N+](=O)[O-])n1 ZINC000933438847 654813335 /nfs/dbraw/zinc/81/33/35/654813335.db2.gz GLRLPRQKSVDXPH-OAHLLOKOSA-N 1 0 383.246 2.174 20 5 GEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC000933442013 654813648 /nfs/dbraw/zinc/81/36/48/654813648.db2.gz QUHFOALHZMRGGA-INIZCTEOSA-N 1 0 397.273 2.446 20 5 GEBDRO O=[N+]([O-])c1ccc(Br)c(CN2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC000934271273 654842192 /nfs/dbraw/zinc/84/21/92/654842192.db2.gz FCIOQOXPMODHNE-CVEARBPZSA-N 1 0 384.274 2.388 20 5 GEBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)C[C@H]21 ZINC001164669920 719469395 /nfs/dbraw/zinc/46/93/95/719469395.db2.gz VXZSLQPCXNKCCF-HZPDHXFCSA-N 1 0 375.816 2.224 20 5 GEBDRO CC(C)N(C)Cc1nn(-c2cnc3cc([N+](=O)[O-])ccc3n2)c2c1CC[NH2+]C2 ZINC001164685286 719610054 /nfs/dbraw/zinc/61/00/54/719610054.db2.gz UQVXRHWLBNCFJV-UHFFFAOYSA-N 1 0 381.440 2.210 20 5 GEBDRO Cc1nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001164828324 720290792 /nfs/dbraw/zinc/29/07/92/720290792.db2.gz ZXXIHNJIQHNSQU-QZTJIDSGSA-N 1 0 387.484 2.210 20 5 GEBDRO Cc1cnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001164821631 720292133 /nfs/dbraw/zinc/29/21/33/720292133.db2.gz LPAMWXFDJPUXTP-IRXDYDNUSA-N 1 0 387.484 2.210 20 5 GEBDRO COC(=O)c1cnc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001164723582 720360776 /nfs/dbraw/zinc/36/07/76/720360776.db2.gz IAACNQMAYGTLCE-JKSUJKDBSA-N 1 0 383.408 2.025 20 5 GEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164729497 720483726 /nfs/dbraw/zinc/48/37/26/720483726.db2.gz RFCALSNDDOCCBN-HOTGVXAUSA-N 1 0 383.408 2.025 20 5 GEBDRO O=[N+]([O-])c1ccc2nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)cnc2c1 ZINC001164732703 720553582 /nfs/dbraw/zinc/55/35/82/720553582.db2.gz FBYIDUQUYIKCTD-UHFFFAOYSA-N 1 0 393.451 2.393 20 5 GEBDRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc([N+](=O)[O-])c(N)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834955 720561219 /nfs/dbraw/zinc/56/12/19/720561219.db2.gz GCGIYZXULNMQGD-HRCADAONSA-N 1 0 385.472 2.146 20 5 GEBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc([N+](=O)[O-])c(N)n3)CC[C@@H]21 ZINC001164834961 720562213 /nfs/dbraw/zinc/56/22/13/720562213.db2.gz GCGIYZXULNMQGD-PMPSAXMXSA-N 1 0 385.472 2.146 20 5 GEBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)c(C)cc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164849277 720847525 /nfs/dbraw/zinc/84/75/25/720847525.db2.gz BWBMKNPNNQBSEE-UKRRQHHQSA-N 1 0 384.864 2.125 20 5 GEBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164860617 720961934 /nfs/dbraw/zinc/96/19/34/720961934.db2.gz QMLLZODZJMOHCV-ZDUSSCGKSA-N 1 0 389.460 2.320 20 5 GEBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])[C@H]2C ZINC001164856127 720966267 /nfs/dbraw/zinc/96/62/67/720966267.db2.gz AOPDFMOMMRXWAT-LBPRGKRZSA-N 1 0 394.863 2.500 20 5 GEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867625 721099610 /nfs/dbraw/zinc/09/96/10/721099610.db2.gz YURFMKSALSZBDJ-ZWKOTPCHSA-N 1 0 383.452 2.481 20 5 GEBDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cnc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001165008453 721731629 /nfs/dbraw/zinc/73/16/29/721731629.db2.gz OMUAFDDMTWGALE-UHFFFAOYSA-N 1 0 398.467 2.061 20 5 GEBDRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(Cl)ncc1[N+](=O)[O-])CCC2 ZINC001165001024 722251462 /nfs/dbraw/zinc/25/14/62/722251462.db2.gz YOFFDIXDBBUYAQ-UHFFFAOYSA-N 1 0 394.863 2.328 20 5 GEBDRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(Cl)cc([N+](=O)[O-])n1)CCC2 ZINC001165000531 722252435 /nfs/dbraw/zinc/25/24/35/722252435.db2.gz RCROMDVNUVSHKG-UHFFFAOYSA-N 1 0 394.863 2.328 20 5 GEBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000162111262 531835974 /nfs/dbraw/zinc/83/59/74/531835974.db2.gz XMWXNRBULDMBJT-RKDXNWHRSA-N 1 0 389.193 2.199 20 5 GEBDRO CCN1CCC[C@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000171421884 531906464 /nfs/dbraw/zinc/90/64/64/531906464.db2.gz HZZZSEYRKJTCGZ-NSHDSACASA-N 1 0 392.275 2.120 20 5 GEBDRO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1Br ZINC000174693082 532074730 /nfs/dbraw/zinc/07/47/30/532074730.db2.gz OCSWXXHPLGIEME-ZWNOBZJWSA-N 1 0 399.245 2.274 20 5 GEBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000125006424 532131911 /nfs/dbraw/zinc/13/19/11/532131911.db2.gz UURSCRPGAHUELY-JTQLQIEISA-N 1 0 380.264 2.153 20 5 GEBDRO Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NC1CC[NH+](C)CC1 ZINC000189376803 532351998 /nfs/dbraw/zinc/35/19/98/532351998.db2.gz KFTOXHGIALGMSK-UHFFFAOYSA-N 1 0 392.275 2.038 20 5 GEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3C[C@@H](O)[C@H](O)C3)o2)c(Br)c1 ZINC000278325889 532374365 /nfs/dbraw/zinc/37/43/65/532374365.db2.gz GPVFOVODQBMNOD-ZIAGYGMSSA-N 1 0 383.198 2.155 20 5 GEBDRO CCN(CCC[NH+](C)C)c1c(I)cncc1[N+](=O)[O-] ZINC000425251729 532379484 /nfs/dbraw/zinc/37/94/84/532379484.db2.gz GCDJXJMYAZCJLK-UHFFFAOYSA-N 1 0 378.214 2.372 20 5 GEBDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000516141707 532380212 /nfs/dbraw/zinc/38/02/12/532380212.db2.gz NBMAIKSRMVUFSZ-ABAIWWIYSA-N 1 0 383.246 2.136 20 5 GEBDRO C[C@@]1(F)C[NH2+]CCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000516168788 532380521 /nfs/dbraw/zinc/38/05/21/532380521.db2.gz FHFMWXXGVVTXMW-GFCCVEGCSA-N 1 0 379.173 2.337 20 5 GEBDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000591242850 532402442 /nfs/dbraw/zinc/40/24/42/532402442.db2.gz MYHFIAGLWGXUQW-CQSZACIVSA-N 1 0 396.241 2.012 20 5 GEBDRO C[NH+]1CCC(N2CC[C@@H](Nc3ncc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000373112207 532431883 /nfs/dbraw/zinc/43/18/83/532431883.db2.gz ZIUUENQVWIFUEV-GFCCVEGCSA-N 1 0 384.278 2.333 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427934289 532437448 /nfs/dbraw/zinc/43/74/48/532437448.db2.gz SXARTWPEHIHLLU-KWQFWETISA-N 1 0 380.253 2.274 20 5 GEBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCc2ccsc2)c([N+](=O)[O-])c1 ZINC000193945554 532439806 /nfs/dbraw/zinc/43/98/06/532439806.db2.gz XHLGANDMIXBVMF-UHFFFAOYSA-N 1 0 384.483 2.108 20 5 GEBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000592328474 532449238 /nfs/dbraw/zinc/44/92/38/532449238.db2.gz JKLFEFSPOUNFEB-NSHDSACASA-N 1 0 389.193 2.071 20 5 GEBDRO CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC[C@@H]1[NH3+] ZINC000592381756 532453086 /nfs/dbraw/zinc/45/30/86/532453086.db2.gz DDPVNPDSTAJTEQ-SKDRFNHKSA-N 1 0 392.275 2.105 20 5 GEBDRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000519645978 532472930 /nfs/dbraw/zinc/47/29/30/532472930.db2.gz AIGFHUAXGKMQBN-JTQLQIEISA-N 1 0 392.275 2.249 20 5 GEBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1Br ZINC000373892695 532477590 /nfs/dbraw/zinc/47/75/90/532477590.db2.gz MPOJEIWDBXWEJT-LBPRGKRZSA-N 1 0 398.257 2.340 20 5 GEBDRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000236799941 532496573 /nfs/dbraw/zinc/49/65/73/532496573.db2.gz PNXLUFRKQLEVBP-NSHDSACASA-N 1 0 394.291 2.351 20 5 GEBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000237319653 532507876 /nfs/dbraw/zinc/50/78/76/532507876.db2.gz OSSSSHKWTJKJLS-SNVBAGLBSA-N 1 0 381.376 2.234 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)NC2(C[NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000237724860 532511867 /nfs/dbraw/zinc/51/18/67/532511867.db2.gz GJBVSZKGFMHORL-UHFFFAOYSA-N 1 0 392.275 2.216 20 5 GEBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000236817503 532498837 /nfs/dbraw/zinc/49/88/37/532498837.db2.gz ZSBSHMNKDDBCSA-UHFFFAOYSA-N 1 0 394.291 2.462 20 5 GEBDRO C[C@H]([NH3+])[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000430586759 532501452 /nfs/dbraw/zinc/50/14/52/532501452.db2.gz XHNVLAJLZAQTLR-WDEREUQCSA-N 1 0 385.262 2.355 20 5 GEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000375048772 532529143 /nfs/dbraw/zinc/52/91/43/532529143.db2.gz ZSEDUOARTYXKTK-YPMHNXCESA-N 1 0 398.257 2.259 20 5 GEBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000566100646 532592714 /nfs/dbraw/zinc/59/27/14/532592714.db2.gz AQPKUXDXJOJSIU-RKDXNWHRSA-N 1 0 389.193 2.009 20 5 GEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000567366777 532651739 /nfs/dbraw/zinc/65/17/39/532651739.db2.gz JXBWQRHCGPRPJP-FZMZJTMJSA-N 1 0 382.463 2.068 20 5 GEBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440359494 532711947 /nfs/dbraw/zinc/71/19/47/532711947.db2.gz ROYKNJDZUQOEHM-NSHDSACASA-N 1 0 392.275 2.120 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000440424978 532713440 /nfs/dbraw/zinc/71/34/40/532713440.db2.gz GOPTVCBZZRDZOT-PELKAZGASA-N 1 0 392.275 2.024 20 5 GEBDRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440437754 532714826 /nfs/dbraw/zinc/71/48/26/532714826.db2.gz BMFIVJCLSLSDEO-GFCCVEGCSA-N 1 0 394.291 2.351 20 5 GEBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440442067 532715064 /nfs/dbraw/zinc/71/50/64/532715064.db2.gz HEOQIOADKAVMMI-SECBINFHSA-N 1 0 380.264 2.153 20 5 GEBDRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000441795310 532726412 /nfs/dbraw/zinc/72/64/12/532726412.db2.gz AVFOEIKZLHIKDR-UHFFFAOYSA-N 1 0 394.291 2.368 20 5 GEBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301824455 532760187 /nfs/dbraw/zinc/76/01/87/532760187.db2.gz NVOADIZZXNVUOB-AWEZNQCLSA-N 1 0 397.273 2.276 20 5 GEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000509403733 532768358 /nfs/dbraw/zinc/76/83/58/532768358.db2.gz OEUKNMNGVRHVDS-UHFFFAOYSA-N 1 0 387.820 2.455 20 5 GEBDRO C[C@@H]1C[NH+](CC2CCN(C(=O)COc3ccccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000359943374 206271853 /nfs/dbraw/zinc/27/18/53/206271853.db2.gz ZRKXAEQKEPYVGH-HZPDHXFCSA-N 1 0 391.468 2.321 20 5 GEBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000359996625 206276859 /nfs/dbraw/zinc/27/68/59/206276859.db2.gz RPGURXGUKHNYGV-FVQBIDKESA-N 1 0 379.461 2.417 20 5 GEBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000368483070 532932790 /nfs/dbraw/zinc/93/27/90/532932790.db2.gz QKAZICKYZYJNQJ-CORIIIEPSA-N 1 0 382.258 2.486 20 5 GEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737285811 598498060 /nfs/dbraw/zinc/49/80/60/598498060.db2.gz VMMDUPNNTGSFDP-UHFFFAOYSA-N 1 0 394.439 2.191 20 5 GEBDRO Cc1cccc(NC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)[nH+]1 ZINC000737400735 598671248 /nfs/dbraw/zinc/67/12/48/598671248.db2.gz YHRAFKITEDXTPW-CYBMUJFWSA-N 1 0 380.412 2.417 20 5 GEBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000820411328 599391086 /nfs/dbraw/zinc/39/10/86/599391086.db2.gz ITBCXAJMOFYZSR-NWDGAFQWSA-N 1 0 381.396 2.453 20 5 GEBDRO C[NH+](C)CCCOc1ccc(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])cc1 ZINC000821584534 606707053 /nfs/dbraw/zinc/70/70/53/606707053.db2.gz IGGRNKQTUGLCER-UHFFFAOYSA-N 1 0 398.427 2.113 20 5 GEBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000823648345 607176829 /nfs/dbraw/zinc/17/68/29/607176829.db2.gz VJQRVJNJVDGJQP-SFHVURJKSA-N 1 0 380.408 2.473 20 5 GEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824384972 608282218 /nfs/dbraw/zinc/28/22/18/608282218.db2.gz IYBTXVYUYHOBRV-LLVKDONJSA-N 1 0 399.386 2.421 20 5 GEBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554056 608463667 /nfs/dbraw/zinc/46/36/67/608463667.db2.gz MCRPHWWPJACICD-GFCCVEGCSA-N 1 0 393.407 2.015 20 5 GEBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000824586284 608468576 /nfs/dbraw/zinc/46/85/76/608468576.db2.gz XKGYRYBBDIOGGM-LBPRGKRZSA-N 1 0 381.396 2.454 20 5 GEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000826498398 608509685 /nfs/dbraw/zinc/50/96/85/608509685.db2.gz SOMSJWDFRZCICW-QZTJIDSGSA-N 1 0 380.408 2.476 20 5 GEBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000826283383 608554265 /nfs/dbraw/zinc/55/42/65/608554265.db2.gz PNHVBKKOBXNFEI-GFCCVEGCSA-N 1 0 381.396 2.373 20 5 GEBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[N@@H+]1C ZINC000447028584 649994664 /nfs/dbraw/zinc/99/46/64/649994664.db2.gz OLTQDFHWIJXZGN-ZJUUUORDSA-N 1 0 381.376 2.375 20 5 GEBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[N@@H+]1C ZINC000447028581 649994789 /nfs/dbraw/zinc/99/47/89/649994789.db2.gz OLTQDFHWIJXZGN-UWVGGRQHSA-N 1 0 381.376 2.375 20 5 GEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3cc(I)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000449520567 650042211 /nfs/dbraw/zinc/04/22/11/650042211.db2.gz FUVRTCLCSOWFOG-RISCZKNCSA-N 1 0 387.221 2.335 20 5 GEBDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449721501 650047676 /nfs/dbraw/zinc/04/76/76/650047676.db2.gz JYIDVBRBORVXIE-CHWSQXEVSA-N 1 0 392.193 2.093 20 5 GEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCC[N@H+]1CCCO ZINC000452784791 650197442 /nfs/dbraw/zinc/19/74/42/650197442.db2.gz PURBFSPNJNZWPN-ZDUSSCGKSA-N 1 0 387.889 2.303 20 5 GEBDRO Cc1c(Br)c(NCCN2CCC([NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000542508232 650406647 /nfs/dbraw/zinc/40/66/47/650406647.db2.gz YJSVUAQTEHAIFO-UHFFFAOYSA-N 1 0 386.294 2.499 20 5 GEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CS(=O)(=O)CCO2)s1 ZINC000507862346 650468562 /nfs/dbraw/zinc/46/85/62/650468562.db2.gz UXDAUDKXHKJRST-LBPRGKRZSA-N 1 0 382.463 2.227 20 5 GEBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000462484182 650481696 /nfs/dbraw/zinc/48/16/96/650481696.db2.gz JJXCNZVYKXWGFU-MWLCHTKSSA-N 1 0 392.275 2.118 20 5 GEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000101569478 643108249 /nfs/dbraw/zinc/10/82/49/643108249.db2.gz HRCVKUYGSDEBIM-UHFFFAOYSA-N 1 0 382.829 2.154 20 5 GEBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000113267789 643388031 /nfs/dbraw/zinc/38/80/31/643388031.db2.gz DYWAVUSBCGUNQE-DGCLKSJQSA-N 1 0 397.273 2.464 20 5 GEBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000116346776 643458863 /nfs/dbraw/zinc/45/88/63/643458863.db2.gz RXXZAZBGNXZFIV-LLVKDONJSA-N 1 0 392.275 2.072 20 5 GEBDRO C[NH+](C)CCn1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cn1 ZINC000119571971 643558542 /nfs/dbraw/zinc/55/85/42/643558542.db2.gz LUHFELFUDDFOGE-UHFFFAOYSA-N 1 0 382.218 2.368 20 5 GEBDRO C[NH+](C)C1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000121578614 643635954 /nfs/dbraw/zinc/63/59/54/643635954.db2.gz FGTSBQBPAWWOJW-UHFFFAOYSA-N 1 0 392.275 2.072 20 5 GEBDRO [NH3+]C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCCCC1 ZINC000121931503 643646697 /nfs/dbraw/zinc/64/66/97/643646697.db2.gz JAIPTICHGHBWEB-UHFFFAOYSA-N 1 0 392.275 2.297 20 5 GEBDRO O=[N+]([O-])c1ccc(Cl)c(CNCCNS(=O)(=O)c2cccs2)c1 ZINC000122255718 643652177 /nfs/dbraw/zinc/65/21/77/643652177.db2.gz FXFPXNOCFWNNAG-UHFFFAOYSA-N 1 0 375.859 2.378 20 5 GEBDRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000124585773 643687806 /nfs/dbraw/zinc/68/78/06/643687806.db2.gz FFAGILOFISECEO-MWLCHTKSSA-N 1 0 392.275 2.153 20 5 GEBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000178929667 644444739 /nfs/dbraw/zinc/44/47/39/644444739.db2.gz FRUILCFBSQXAGG-SNVBAGLBSA-N 1 0 392.275 2.120 20 5 GEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000183478169 644994576 /nfs/dbraw/zinc/99/45/76/644994576.db2.gz QZFOIJLHAAMTBI-UHFFFAOYSA-N 1 0 377.413 2.257 20 5 GEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2sccc2Cl)c1 ZINC000193061925 645236489 /nfs/dbraw/zinc/23/64/89/645236489.db2.gz WIICNTYGSLOVFK-UHFFFAOYSA-N 1 0 375.859 2.378 20 5 GEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000193537396 645280827 /nfs/dbraw/zinc/28/08/27/645280827.db2.gz BJYBQZTYLKGPIR-UFBFGSQYSA-N 1 0 389.193 2.070 20 5 GEBDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000193708121 645292137 /nfs/dbraw/zinc/29/21/37/645292137.db2.gz JQWQZQMOMOQPSR-UHFFFAOYSA-N 1 0 392.275 2.072 20 5 GEBDRO C[NH+](C)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000193857314 645304238 /nfs/dbraw/zinc/30/42/38/645304238.db2.gz RTXMTRZDXODWAA-UHFFFAOYSA-N 1 0 392.275 2.072 20 5 GEBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1I ZINC000237803060 645442684 /nfs/dbraw/zinc/44/26/84/645442684.db2.gz CHUXZUNYQKAFNU-VIFPVBQESA-N 1 0 389.193 2.071 20 5 GEBDRO C[C@@H](O)C[NH+]1CCC(CN(C)c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267298595 645896758 /nfs/dbraw/zinc/89/67/58/645896758.db2.gz ZYIIQSIMPZDKTR-LLVKDONJSA-N 1 0 387.278 2.281 20 5 GEBDRO CC[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000269485251 646039069 /nfs/dbraw/zinc/03/90/69/646039069.db2.gz QJFHJJMJDOKPBG-UHFFFAOYSA-N 1 0 392.275 2.120 20 5 GEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCOCCS(C)(=O)=O ZINC000271419983 646204239 /nfs/dbraw/zinc/20/42/39/646204239.db2.gz ADYUFSNLBWPYKW-CYBMUJFWSA-N 1 0 376.500 2.116 20 5 GEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000271436388 646206190 /nfs/dbraw/zinc/20/61/90/646206190.db2.gz BPXGGYFXIHZGNK-KGLIPLIRSA-N 1 0 387.527 2.337 20 5 GEBDRO COc1cc(C[NH2+][C@@H](C)CC[S@](C)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272430297 646272056 /nfs/dbraw/zinc/27/20/56/646272056.db2.gz NHOATPOTOLNCRF-FORDYWAESA-N 1 0 380.413 2.494 20 5 GEBDRO C[NH+](C)[C@]1(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCSC1 ZINC000279312868 646589916 /nfs/dbraw/zinc/58/99/16/646589916.db2.gz OLCHLWCICXKDMK-HNNXBMFYSA-N 1 0 375.853 2.483 20 5 GEBDRO C[N@@H+]1CCN(CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1(C)C ZINC000281772494 646797818 /nfs/dbraw/zinc/79/78/18/646797818.db2.gz MGYMUCONQXLIDF-UHFFFAOYSA-N 1 0 399.289 2.113 20 5 GEBDRO CC(C)[NH+]1CCN([C@H]2CCN(c3ncc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000362201386 647568222 /nfs/dbraw/zinc/56/82/22/647568222.db2.gz WOKAVMOWAYDTKK-AWEZNQCLSA-N 1 0 398.305 2.357 20 5 GEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365542356 647675275 /nfs/dbraw/zinc/67/52/75/647675275.db2.gz ZBPPEZMYXJXDTP-OUCADQQQSA-N 1 0 385.873 2.353 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3[C@H](C2)C[N@@H+]2CCCC[C@@H]32)c(Cl)c1 ZINC000365544128 647675416 /nfs/dbraw/zinc/67/54/16/647675416.db2.gz FGIVBBNVBQFHNP-WHOFXGATSA-N 1 0 385.873 2.353 20 5 GEBDRO C[NH+](C)CC1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000416532006 648162468 /nfs/dbraw/zinc/16/24/68/648162468.db2.gz VMYIZELNLYVVKN-UHFFFAOYSA-N 1 0 381.376 2.376 20 5 GEBDRO O=C(CN1C[C@H]2CCC[C@@H](C1)[NH2+]2)Nc1ccc([N+](=O)[O-])cc1Br ZINC000420348992 648413436 /nfs/dbraw/zinc/41/34/36/648413436.db2.gz NMFUEYJETHZMLB-PHIMTYICSA-N 1 0 383.246 2.122 20 5 GEBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[NH+]1CCCC1 ZINC000548370039 651078082 /nfs/dbraw/zinc/07/80/82/651078082.db2.gz KVEPHQQWEWUXMR-SNVBAGLBSA-N 1 0 381.376 2.376 20 5 GEBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000610572494 651671332 /nfs/dbraw/zinc/67/13/32/651671332.db2.gz OTCWKACWCMLGNE-LBPRGKRZSA-N 1 0 386.246 2.198 20 5 GEBDRO C[NH+](C)[C@]1(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCSC1 ZINC000568801055 651680927 /nfs/dbraw/zinc/68/09/27/651680927.db2.gz QAFFSFQGYPEIKV-HNNXBMFYSA-N 1 0 375.397 2.363 20 5 GEBDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000610957554 651695501 /nfs/dbraw/zinc/69/55/01/651695501.db2.gz GASWLGYVJMTYAL-UHFFFAOYSA-N 1 0 394.291 2.320 20 5 GEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCCS1(=O)=O ZINC000611335542 651720607 /nfs/dbraw/zinc/72/06/07/651720607.db2.gz BLBQNMDTVUFHGU-AWEZNQCLSA-N 1 0 387.527 2.481 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(CN2CC[NH+]3CCC2CC3)c1 ZINC000570133754 651749132 /nfs/dbraw/zinc/74/91/32/651749132.db2.gz SUQBYXNVJWAEGD-UHFFFAOYSA-N 1 0 387.221 2.479 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCc3c2cccc3Br)c1 ZINC000571198464 651816899 /nfs/dbraw/zinc/81/68/99/651816899.db2.gz LHUUDUNVHXTEBD-ABAIWWIYSA-N 1 0 381.230 2.192 20 5 GEBDRO C[NH+](C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000615293346 651860780 /nfs/dbraw/zinc/86/07/80/651860780.db2.gz QDJVCOVUBGSRFP-CHWSQXEVSA-N 1 0 392.275 2.118 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCOCc2ccc(Cl)cc2Cl)c1 ZINC000574565245 652030366 /nfs/dbraw/zinc/03/03/66/652030366.db2.gz MIYPBZYLQZHZJZ-AWEZNQCLSA-N 1 0 389.239 2.265 20 5 GEBDRO COc1ccc([C@H](C[NH3+])Cn2cc(Br)cc([N+](=O)[O-])c2=O)cc1 ZINC000576397277 652113896 /nfs/dbraw/zinc/11/38/96/652113896.db2.gz XBIZRVQNZRBHER-LLVKDONJSA-N 1 0 382.214 2.270 20 5 GEBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000576516993 652124356 /nfs/dbraw/zinc/12/43/56/652124356.db2.gz LOWUQWLJHCUONY-GFCCVEGCSA-N 1 0 398.257 2.185 20 5 GEBDRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000580073386 652366049 /nfs/dbraw/zinc/36/60/49/652366049.db2.gz IVMQAWQDYUUCRZ-MWLCHTKSSA-N 1 0 381.376 2.409 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000580550456 652383219 /nfs/dbraw/zinc/38/32/19/652383219.db2.gz IQGKODYNUZBJBN-IUCAKERBSA-N 1 0 380.253 2.132 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000583625981 652491799 /nfs/dbraw/zinc/49/17/99/652491799.db2.gz ALEMJDGVTRNKLQ-CZUORRHYSA-N 1 0 386.495 2.013 20 5 GEBDRO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000592396645 652593538 /nfs/dbraw/zinc/59/35/38/652593538.db2.gz HZOVLJOURFAPGF-OAHLLOKOSA-N 1 0 381.841 2.495 20 5 GEBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000593732063 652634012 /nfs/dbraw/zinc/63/40/12/652634012.db2.gz IFCOCRABVCZLGC-UHFFFAOYSA-N 1 0 392.275 2.025 20 5 GEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)cc1Cl ZINC000761521635 652650561 /nfs/dbraw/zinc/65/05/61/652650561.db2.gz JMGOKVNZOIBGKE-UHFFFAOYSA-N 1 0 383.857 2.457 20 5 GEBDRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000595122047 652706299 /nfs/dbraw/zinc/70/62/99/652706299.db2.gz WJRWOQNLXKJRDX-LLVKDONJSA-N 1 0 380.264 2.009 20 5 GEBDRO [NH3+]C1(CNC(=O)c2cc(I)cc([N+](=O)[O-])c2)CCCC1 ZINC000595960732 652744230 /nfs/dbraw/zinc/74/42/30/652744230.db2.gz KCKBDVQTMGGTGP-UHFFFAOYSA-N 1 0 389.193 2.201 20 5 GEBDRO O=C(NCCCC[NH+]1CCOCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599076099 652847259 /nfs/dbraw/zinc/84/72/59/652847259.db2.gz BYSIIKJSIFLATF-UHFFFAOYSA-N 1 0 386.246 2.200 20 5 GEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599338104 652862106 /nfs/dbraw/zinc/86/21/06/652862106.db2.gz BKAMUSWZRKYRAY-LLVKDONJSA-N 1 0 386.246 2.198 20 5 GEBDRO C[NH2+]C1(CNC(=O)c2cc(I)cc([N+](=O)[O-])c2)CCC1 ZINC000600826298 652935035 /nfs/dbraw/zinc/93/50/35/652935035.db2.gz ZRARCYVZGCAOBT-UHFFFAOYSA-N 1 0 389.193 2.071 20 5 GEBDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000771959609 653134806 /nfs/dbraw/zinc/13/48/06/653134806.db2.gz ISEODXHQKIQHOS-LLVKDONJSA-N 1 0 392.275 2.072 20 5 GEBDRO CS(=O)(=O)CC1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602570491 653191686 /nfs/dbraw/zinc/19/16/86/653191686.db2.gz AHAPGROBPDZIBE-UHFFFAOYSA-N 1 0 383.289 2.333 20 5 GEBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]2CCCN(CCCO)C2)cc1Br ZINC000602672730 653199446 /nfs/dbraw/zinc/19/94/46/653199446.db2.gz GTSBNFXFFYBTAW-JTQLQIEISA-N 1 0 378.292 2.355 20 5 GEBDRO CN(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000602670915 653199583 /nfs/dbraw/zinc/19/95/83/653199583.db2.gz HSRBKGFAJSELBB-GFCCVEGCSA-N 1 0 381.376 2.079 20 5 GEBDRO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1Cl ZINC000809815580 653298538 /nfs/dbraw/zinc/29/85/38/653298538.db2.gz JRNCMWYETZPSGP-SNVBAGLBSA-N 1 0 377.825 2.150 20 5 GEBDRO C[C@]1(C[NH3+])CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000701025033 653319102 /nfs/dbraw/zinc/31/91/02/653319102.db2.gz HUMJOIMMPARUDJ-CYBMUJFWSA-N 1 0 389.193 2.010 20 5 GEBDRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000877332992 653476624 /nfs/dbraw/zinc/47/66/24/653476624.db2.gz LZRUPNYMVUAXGL-LBPRGKRZSA-N 1 0 398.257 2.246 20 5 GEBDRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000780868106 653634367 /nfs/dbraw/zinc/63/43/67/653634367.db2.gz QKJSILASMDWXPT-JTQLQIEISA-N 1 0 392.275 2.120 20 5 GEBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000814990252 653642134 /nfs/dbraw/zinc/64/21/34/653642134.db2.gz JIMCIGVIEUNOFG-RYUDHWBXSA-N 1 0 377.825 2.292 20 5 GEBDRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815010738 653642916 /nfs/dbraw/zinc/64/29/16/653642916.db2.gz XYDBXUCNZLVJPU-UHFFFAOYSA-N 1 0 379.841 2.350 20 5 GEBDRO Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CC[NH+](C)C ZINC000784735740 653698971 /nfs/dbraw/zinc/69/89/71/653698971.db2.gz CJLRKUTZMPGJSX-SNVBAGLBSA-N 1 0 394.291 2.284 20 5 GEBDRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000842482670 653758103 /nfs/dbraw/zinc/75/81/03/653758103.db2.gz DEHDSULLCPIOHW-LBPRGKRZSA-N 1 0 392.275 2.024 20 5 GEBDRO CC(C)[NH2+]CCCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000842708149 653763905 /nfs/dbraw/zinc/76/39/05/653763905.db2.gz OLQBJCDQSAVQEZ-UHFFFAOYSA-N 1 0 380.264 2.024 20 5 GEBDRO C[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000842723112 653764790 /nfs/dbraw/zinc/76/47/90/653764790.db2.gz XDKCTPMSYYTZJQ-SKDRFNHKSA-N 1 0 392.275 2.105 20 5 GEBDRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000842737576 653765422 /nfs/dbraw/zinc/76/54/22/653765422.db2.gz ZIHYXKFZFPDGIO-UHFFFAOYSA-N 1 0 392.275 2.248 20 5 GEBDRO CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[C@H]1[NH3+] ZINC000842792738 653767649 /nfs/dbraw/zinc/76/76/49/653767649.db2.gz LWSLHPPHEFLPKH-JOYOIKCWSA-N 1 0 392.275 2.105 20 5 GEBDRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842860696 653770834 /nfs/dbraw/zinc/77/08/34/653770834.db2.gz WEWMEPNWQAYSPH-JTQLQIEISA-N 1 0 392.275 2.249 20 5 GEBDRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000842859079 653770865 /nfs/dbraw/zinc/77/08/65/653770865.db2.gz CMULABNVZIETQU-JTQLQIEISA-N 1 0 392.275 2.249 20 5 GEBDRO [NH3+]CCCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000842920654 653773773 /nfs/dbraw/zinc/77/37/73/653773773.db2.gz SJTWENHMRRZBHN-UHFFFAOYSA-N 1 0 380.264 2.155 20 5 GEBDRO Cc1cc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000882619442 653791029 /nfs/dbraw/zinc/79/10/29/653791029.db2.gz LFFSIGLQMXUZMM-LLVKDONJSA-N 1 0 382.467 2.259 20 5 GEBDRO CS[C@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000790903747 653800197 /nfs/dbraw/zinc/80/01/97/653800197.db2.gz AFLQLBTXGYWVSD-KGLIPLIRSA-N 1 0 375.853 2.434 20 5 GEBDRO O=[N+]([O-])c1cncc(Br)c1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000882726275 653800718 /nfs/dbraw/zinc/80/07/18/653800718.db2.gz PIKSMBOWJMTAQY-GFCCVEGCSA-N 1 0 385.262 2.490 20 5 GEBDRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000883474268 653841718 /nfs/dbraw/zinc/84/17/18/653841718.db2.gz IDQSIUOVKPYHSS-LLVKDONJSA-N 1 0 392.275 2.120 20 5 GEBDRO C[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000896006277 653860754 /nfs/dbraw/zinc/86/07/54/653860754.db2.gz JJZHSZPZQMCDOV-ONGXEEELSA-N 1 0 377.260 2.270 20 5 GEBDRO CCCN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000823499974 653870163 /nfs/dbraw/zinc/87/01/63/653870163.db2.gz QTRKEICPHJQKHM-NSHDSACASA-N 1 0 385.262 2.496 20 5 GEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000867308664 653913015 /nfs/dbraw/zinc/91/30/15/653913015.db2.gz MOIUFNFEQIAVBD-JOYOIKCWSA-N 1 0 392.275 2.070 20 5 GEBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000867347988 653919496 /nfs/dbraw/zinc/91/94/96/653919496.db2.gz BUVWPXHHQZKTDW-UHFFFAOYSA-N 1 0 379.841 2.492 20 5 GEBDRO CC[N@@H+]1CC[C@H](CNC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000795415893 653951010 /nfs/dbraw/zinc/95/10/10/653951010.db2.gz RFSQYBBOTIJRKM-GFCCVEGCSA-N 1 0 399.289 2.252 20 5 GEBDRO C[C@@H](CNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000796073313 653984662 /nfs/dbraw/zinc/98/46/62/653984662.db2.gz VRPHEVJJRDGPBV-NSHDSACASA-N 1 0 399.289 2.392 20 5 GEBDRO C[N@@H+]1CC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CC[C@@H]21 ZINC000827308314 653985244 /nfs/dbraw/zinc/98/52/44/653985244.db2.gz BKNOVGRHMCUXGV-WFASDCNBSA-N 1 0 382.258 2.452 20 5 GEBDRO CN(CC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796275802 653994848 /nfs/dbraw/zinc/99/48/48/653994848.db2.gz PWCYBDWILYZNNY-LBPRGKRZSA-N 1 0 399.289 2.252 20 5 GEBDRO CN(CC(=O)N1CC[C@H](C[NH+](C)C)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796455405 653998282 /nfs/dbraw/zinc/99/82/82/653998282.db2.gz WZIULXSVSSMHFY-GFCCVEGCSA-N 1 0 399.289 2.204 20 5 GEBDRO C[C@H]1CC[N@H+](CCNC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000796867918 654010616 /nfs/dbraw/zinc/01/06/16/654010616.db2.gz XWYUYKRRHVVNLL-LBPRGKRZSA-N 1 0 399.289 2.252 20 5 GEBDRO CC[C@H](C)[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(N)=O ZINC000887055967 654016547 /nfs/dbraw/zinc/01/65/47/654016547.db2.gz UMOFCDWCUSDFGO-UFBFGSQYSA-N 1 0 391.209 2.189 20 5 GEBDRO C[NH+](C)CCn1nccc1NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868586738 654045014 /nfs/dbraw/zinc/04/50/14/654045014.db2.gz SGESNQKONOIKJX-UHFFFAOYSA-N 1 0 396.245 2.297 20 5 GEBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000916663690 654103933 /nfs/dbraw/zinc/10/39/33/654103933.db2.gz LPEUNPDNGAYZEK-ZJUUUORDSA-N 1 0 394.280 2.474 20 5 GEBDRO C[NH+]1CCC2(CCN2C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC1 ZINC000889218055 654132959 /nfs/dbraw/zinc/13/29/59/654132959.db2.gz MGWVXIVADCTRTM-UHFFFAOYSA-N 1 0 383.246 2.250 20 5 GEBDRO C[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000889723109 654164309 /nfs/dbraw/zinc/16/43/09/654164309.db2.gz UBCRBLAIZLKUIL-NSHDSACASA-N 1 0 385.262 2.450 20 5 GEBDRO CC[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000902269296 654170618 /nfs/dbraw/zinc/17/06/18/654170618.db2.gz NIRSMQFTJRRNPE-UHFFFAOYSA-N 1 0 386.246 2.337 20 5 GEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000921206852 654239868 /nfs/dbraw/zinc/23/98/68/654239868.db2.gz OIRDUFFQPYIFNU-MRXNPFEDSA-N 1 0 384.841 2.345 20 5 GEBDRO O=[N+]([O-])c1cccc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1Br ZINC000852707909 654254929 /nfs/dbraw/zinc/25/49/29/654254929.db2.gz LFYGMPSYMACSRP-AWEZNQCLSA-N 1 0 384.274 2.388 20 5 GEBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000834564450 654335380 /nfs/dbraw/zinc/33/53/80/654335380.db2.gz KKTXCVUSILBFJM-HNNXBMFYSA-N 1 0 376.240 2.430 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000905515328 654362343 /nfs/dbraw/zinc/36/23/43/654362343.db2.gz CVJCLQXEDVFSKN-AAEUAGOBSA-N 1 0 382.360 2.068 20 5 GEBDRO O=[N+]([O-])c1cnc2cc(Br)ccc2c1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000894429958 654475332 /nfs/dbraw/zinc/47/53/32/654475332.db2.gz NJNJCVGPVMWPQO-NWDGAFQWSA-N 1 0 393.241 2.161 20 5 GEBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000925516221 654545563 /nfs/dbraw/zinc/54/55/63/654545563.db2.gz WFYVXWYEQAGZND-LLVKDONJSA-N 1 0 375.878 2.398 20 5 GEBDRO Nc1c(Br)cc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000933333265 654809178 /nfs/dbraw/zinc/80/91/78/654809178.db2.gz KNVGOTSGMIMIAQ-NSHDSACASA-N 1 0 397.273 2.497 20 5 GEBDRO O=[N+]([O-])c1cc(CN2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)ccc1Br ZINC000934266656 654841653 /nfs/dbraw/zinc/84/16/53/654841653.db2.gz UDGYPRGCQBCKEC-GJZGRUSLSA-N 1 0 384.274 2.388 20 5 GEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC000934953572 654868029 /nfs/dbraw/zinc/86/80/29/654868029.db2.gz ZDJBQEUPYXFDJL-GWCFXTLKSA-N 1 0 397.273 2.496 20 5 GEBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(OC)c([N+](=O)[O-])cn1)C2 ZINC001164809675 720103792 /nfs/dbraw/zinc/10/37/92/720103792.db2.gz IBVZDJJCAPWINX-HNAYVOBHSA-N 1 0 376.457 2.183 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164731033 720404700 /nfs/dbraw/zinc/40/47/00/720404700.db2.gz YEVBGWBQLPNBGF-HUUCEWRRSA-N 1 0 375.816 2.130 20 5 GEBDRO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164732256 720470139 /nfs/dbraw/zinc/47/01/39/720470139.db2.gz YVNIVLKYWMVVPY-IAGOWNOFSA-N 1 0 397.435 2.415 20 5 GEBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3N)CC[C@@H]21 ZINC001164835955 720595787 /nfs/dbraw/zinc/59/57/87/720595787.db2.gz DAJCJQMMDRPRBA-HFTRVMKXSA-N 1 0 385.472 2.146 20 5 GEBDRO Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1[N+](=O)[O-] ZINC001164742110 720811243 /nfs/dbraw/zinc/81/12/43/720811243.db2.gz CEVSNXNPRBKMRT-JENIJYKNSA-N 1 0 397.483 2.269 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc([N+](=O)[O-])c5cc[nH]c5n4)C[C@H]3C2)cn1 ZINC001164771833 721170602 /nfs/dbraw/zinc/17/06/02/721170602.db2.gz RCESHAQWMWMFDE-LSDHHAIUSA-N 1 0 381.440 2.163 20 5 GEBDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001164929000 721857526 /nfs/dbraw/zinc/85/75/26/721857526.db2.gz PNCMZWXDXPFAOG-UONOGXRCSA-N 1 0 389.834 2.403 20 5 GEBDRO COc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164984756 722106256 /nfs/dbraw/zinc/10/62/56/722106256.db2.gz UVAOGCRFIIDNGV-SJLPKXTDSA-N 1 0 399.451 2.121 20 5 GEBDRO Cc1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164977268 722106534 /nfs/dbraw/zinc/10/65/34/722106534.db2.gz FNFKRDVONFIISE-ZWKOTPCHSA-N 1 0 383.452 2.421 20 5 GEBDRO COc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164979786 722112966 /nfs/dbraw/zinc/11/29/66/722112966.db2.gz PYQMDCWPKFTZPV-QFBILLFUSA-N 1 0 399.451 2.121 20 5 GEBDRO C[NH+](C)CCOCc1ncn2c1CN(c1cc([N+](=O)[O-])cc(Cl)n1)CCC2 ZINC001165001409 722250563 /nfs/dbraw/zinc/25/05/63/722250563.db2.gz PXWXKAPARPJEIY-UHFFFAOYSA-N 1 0 394.863 2.328 20 5 GEBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162166912 531838030 /nfs/dbraw/zinc/83/80/30/531838030.db2.gz YKXOXRWRDAWMRD-NSHDSACASA-N 1 0 381.376 2.376 20 5 GEBDRO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163311479 531856988 /nfs/dbraw/zinc/85/69/88/531856988.db2.gz VYSRJPLBEMHMMV-JTQLQIEISA-N 1 0 381.376 2.186 20 5 GEBDRO Cc1c(Br)cc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000122194720 532061552 /nfs/dbraw/zinc/06/15/52/532061552.db2.gz VGAXHLJOHGHYRB-NSHDSACASA-N 1 0 399.289 2.031 20 5 GEBDRO Cc1sc(S(=O)(=O)N2CCN(c3cc(C)ccn3)CC2)cc1[N+](=O)[O-] ZINC000125641324 532139471 /nfs/dbraw/zinc/13/94/71/532139471.db2.gz UJXSPQJMYVTRNM-UHFFFAOYSA-N 1 0 382.467 2.179 20 5 GEBDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000185236081 532337381 /nfs/dbraw/zinc/33/73/81/532337381.db2.gz LAXVGKDDMVVDHX-UHFFFAOYSA-N 1 0 392.275 2.072 20 5 GEBDRO CC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc(C(F)(F)F)cs1 ZINC000185923207 532339036 /nfs/dbraw/zinc/33/90/36/532339036.db2.gz YBSIABRWAWZGFC-VHSXEESVSA-N 1 0 379.364 2.368 20 5 GEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1ccc(Cl)cc1F ZINC000189347191 532351767 /nfs/dbraw/zinc/35/17/67/532351767.db2.gz YSIGZKDRKWFFJN-UHFFFAOYSA-N 1 0 387.820 2.455 20 5 GEBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000516048678 532375655 /nfs/dbraw/zinc/37/56/55/532375655.db2.gz VQEUEHBFEAMZJH-LLVKDONJSA-N 1 0 391.209 2.303 20 5 GEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000590590147 532377484 /nfs/dbraw/zinc/37/74/84/532377484.db2.gz TZEYDUIOYDZEJM-MWLCHTKSSA-N 1 0 392.275 2.070 20 5 GEBDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000557525319 532366798 /nfs/dbraw/zinc/36/67/98/532366798.db2.gz JOGMLGMKQVXATO-JTQLQIEISA-N 1 0 394.291 2.364 20 5 GEBDRO CSC1(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000557536296 532367424 /nfs/dbraw/zinc/36/74/24/532367424.db2.gz SYFNLZIREZQWGQ-UHFFFAOYSA-N 1 0 393.918 2.354 20 5 GEBDRO C[C@]1(F)C[NH2+]CCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000516168789 532381032 /nfs/dbraw/zinc/38/10/32/532381032.db2.gz FHFMWXXGVVTXMW-LBPRGKRZSA-N 1 0 379.173 2.337 20 5 GEBDRO Cc1c(NC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000591304621 532406217 /nfs/dbraw/zinc/40/62/17/532406217.db2.gz LMOSZAQPGCSRMR-NOZJJQNGSA-N 1 0 387.234 2.246 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCOc2ncccc2Cl)cc1 ZINC000591754520 532421634 /nfs/dbraw/zinc/42/16/34/532421634.db2.gz RWHJXVYXHHXPTF-UHFFFAOYSA-N 1 0 385.829 2.086 20 5 GEBDRO CSC1(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC[NH+](C)CC1 ZINC000517630855 532421717 /nfs/dbraw/zinc/42/17/17/532421717.db2.gz OGYWMTFVDSMINV-UHFFFAOYSA-N 1 0 387.527 2.317 20 5 GEBDRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000427930828 532437478 /nfs/dbraw/zinc/43/74/78/532437478.db2.gz KHZXFCKSDQECRX-VIFPVBQESA-N 1 0 380.264 2.153 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000592381506 532452861 /nfs/dbraw/zinc/45/28/61/532452861.db2.gz ROVRSRYOTXYLKK-KCJUWKMLSA-N 1 0 380.253 2.274 20 5 GEBDRO CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000592382158 532452983 /nfs/dbraw/zinc/45/29/83/532452983.db2.gz KJXWPTJNKUHCSL-BXKDBHETSA-N 1 0 381.376 2.362 20 5 GEBDRO CC[C@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592382713 532453159 /nfs/dbraw/zinc/45/31/59/532453159.db2.gz WIMMHGZRLOYEJL-TVQRCGJNSA-N 1 0 392.275 2.105 20 5 GEBDRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000519646007 532472187 /nfs/dbraw/zinc/47/21/87/532472187.db2.gz AIGFHUAXGKMQBN-SNVBAGLBSA-N 1 0 392.275 2.249 20 5 GEBDRO Cc1cn2c(n1)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)CC2 ZINC000374693948 532514051 /nfs/dbraw/zinc/51/40/51/532514051.db2.gz MTNHGGKYDPUWNH-UHFFFAOYSA-N 1 0 379.214 2.447 20 5 GEBDRO [NH3+]CC1(NC(=O)c2ccc([N+](=O)[O-])cc2I)CCCC1 ZINC000238020128 532515463 /nfs/dbraw/zinc/51/54/63/532515463.db2.gz KXCMHEFZLQMVII-UHFFFAOYSA-N 1 0 389.193 2.201 20 5 GEBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594601627 532515522 /nfs/dbraw/zinc/51/55/22/532515522.db2.gz DUYYLWUBUIFIFD-NWDGAFQWSA-N 1 0 393.241 2.161 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262751706 532599727 /nfs/dbraw/zinc/59/97/27/532599727.db2.gz GPAWNHNACJWAMX-NXEZZACHSA-N 1 0 392.275 2.037 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H]1C[NH2+]CCC1(F)F ZINC000567862134 532666807 /nfs/dbraw/zinc/66/68/07/532666807.db2.gz NTZPSVQRLPBOQR-VIFPVBQESA-N 1 0 390.195 2.177 20 5 GEBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599370759 532659158 /nfs/dbraw/zinc/65/91/58/532659158.db2.gz JULFKFZDIXFTCS-LLVKDONJSA-N 1 0 386.246 2.198 20 5 GEBDRO CN(C[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1)S(C)(=O)=O ZINC000285468487 532683471 /nfs/dbraw/zinc/68/34/71/532683471.db2.gz BTPFTMIQVLRAEI-LBPRGKRZSA-N 1 0 375.878 2.352 20 5 GEBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000569157726 532688851 /nfs/dbraw/zinc/68/88/51/532688851.db2.gz FBDCQBVCCDGJBN-NSHDSACASA-N 1 0 377.438 2.141 20 5 GEBDRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000440356447 532711904 /nfs/dbraw/zinc/71/19/04/532711904.db2.gz OFVSZIZNFHTHMD-VIFPVBQESA-N 1 0 392.275 2.105 20 5 GEBDRO CO[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000440860887 532723891 /nfs/dbraw/zinc/72/38/91/532723891.db2.gz PQIRVVNSIOHZNU-NXEZZACHSA-N 1 0 398.268 2.028 20 5 GEBDRO CC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC[NH2+]CC1 ZINC000440865693 532724464 /nfs/dbraw/zinc/72/44/64/532724464.db2.gz POHSZHXRASTBMY-UHFFFAOYSA-N 1 0 392.275 2.025 20 5 GEBDRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC[N@@H+]1C ZINC000286191004 532732795 /nfs/dbraw/zinc/73/27/95/532732795.db2.gz ZVJUDKTZEZJPBJ-VHSXEESVSA-N 1 0 379.841 2.491 20 5 GEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000582605576 532760332 /nfs/dbraw/zinc/76/03/32/532760332.db2.gz GELIPJUIZIXCAJ-LLVKDONJSA-N 1 0 379.360 2.129 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(c3cccc(Br)c3)CC2)c1 ZINC000584227602 532767249 /nfs/dbraw/zinc/76/72/49/532767249.db2.gz XZPNFJPFKSFXBW-HNNXBMFYSA-N 1 0 395.257 2.236 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000287907797 532813025 /nfs/dbraw/zinc/81/30/25/532813025.db2.gz ZYZZSLNCJNGELN-ZWNOBZJWSA-N 1 0 382.360 2.068 20 5 GEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000330592920 532821593 /nfs/dbraw/zinc/82/15/93/532821593.db2.gz PENKNEFQDAMLDH-QWRGUYRKSA-N 1 0 385.262 2.320 20 5 GEBDRO CS[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000330598278 532821892 /nfs/dbraw/zinc/82/18/92/532821892.db2.gz WPNZSXAWIZBTSD-ZIAGYGMSSA-N 1 0 393.918 2.223 20 5 GEBDRO C[C@H](C[S@](C)=O)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289424144 532854505 /nfs/dbraw/zinc/85/45/05/532854505.db2.gz CXOTVOMYRRUSSZ-CVJBHZAOSA-N 1 0 382.223 2.056 20 5 GEBDRO CSC[C@@](C)(O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289481752 532856279 /nfs/dbraw/zinc/85/62/79/532856279.db2.gz KCJOSASQLBDTDO-LBPRGKRZSA-N 1 0 396.250 2.403 20 5 GEBDRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416394641 532875682 /nfs/dbraw/zinc/87/56/82/532875682.db2.gz XJSYZDIQMIQGRH-JTQLQIEISA-N 1 0 381.376 2.186 20 5 GEBDRO CC(C)[C@H]1CN(c2c(I)cncc2[N+](=O)[O-])CCN1C ZINC000418933122 532881875 /nfs/dbraw/zinc/88/18/75/532881875.db2.gz DHMDVTPPLARVGP-GFCCVEGCSA-N 1 0 390.225 2.371 20 5 GEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000293871764 532932587 /nfs/dbraw/zinc/93/25/87/532932587.db2.gz KGEYQLXFWITMPK-LSDHHAIUSA-N 1 0 398.257 2.293 20 5 GEBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000370090466 532942217 /nfs/dbraw/zinc/94/22/17/532942217.db2.gz GSXCCZDYNSSOJB-ILWJIGKKSA-N 1 0 390.259 2.000 20 5 GEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000371696834 532949389 /nfs/dbraw/zinc/94/93/89/532949389.db2.gz QGJUMGMIXLFSCP-QWHCGFSZSA-N 1 0 385.873 2.320 20 5 GEBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)[C@H](C)C1 ZINC000736617623 599063032 /nfs/dbraw/zinc/06/30/32/599063032.db2.gz ZIACQLIVPBHBKW-CZUORRHYSA-N 1 0 389.460 2.324 20 5 GEBDRO C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000820411330 599391283 /nfs/dbraw/zinc/39/12/83/599391283.db2.gz ITBCXAJMOFYZSR-VXGBXAGGSA-N 1 0 381.396 2.453 20 5 GEBDRO CC1CC[NH+](CCNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820722446 599477765 /nfs/dbraw/zinc/47/77/65/599477765.db2.gz ILTFFXOYQKIOPS-UHFFFAOYSA-N 1 0 382.428 2.467 20 5 GEBDRO COc1ccc(OCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)c([N+](=O)[O-])c1 ZINC000821842207 599559743 /nfs/dbraw/zinc/55/97/43/599559743.db2.gz QDMKMAAORZNDCD-UHFFFAOYSA-N 1 0 384.396 2.294 20 5 GEBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821623131 599559789 /nfs/dbraw/zinc/55/97/89/599559789.db2.gz DKYSLUMQYXICJB-LBPRGKRZSA-N 1 0 382.428 2.101 20 5 GEBDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000824779981 607679790 /nfs/dbraw/zinc/67/97/90/607679790.db2.gz YYVMRQIOONKHPV-LBPRGKRZSA-N 1 0 395.427 2.202 20 5 GEBDRO Cc1ccccc1C[NH+]1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC000822361987 606644835 /nfs/dbraw/zinc/64/48/35/606644835.db2.gz MFZAGRMFFZSRDF-UHFFFAOYSA-N 1 0 379.424 2.406 20 5 GEBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000823620902 606698392 /nfs/dbraw/zinc/69/83/92/606698392.db2.gz SEUSHWNHIAGFQZ-UHFFFAOYSA-N 1 0 386.460 2.262 20 5 GEBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000823620425 606709260 /nfs/dbraw/zinc/70/92/60/606709260.db2.gz KYWXGAZLZOJLBR-HNNXBMFYSA-N 1 0 394.439 2.146 20 5 GEBDRO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000820668964 606875321 /nfs/dbraw/zinc/87/53/21/606875321.db2.gz XUESLICNYSKIKI-GXTWGEPZSA-N 1 0 380.412 2.245 20 5 GEBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1C[NH+]2CCC1CC2 ZINC000446059278 649970011 /nfs/dbraw/zinc/97/00/11/649970011.db2.gz DVVXCALFTYKCRJ-OAHLLOKOSA-N 1 0 382.258 2.452 20 5 GEBDRO CC(C)C[NH+]1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820093301 607097669 /nfs/dbraw/zinc/09/76/69/607097669.db2.gz VNYIECSWMVTHGL-UHFFFAOYSA-N 1 0 382.428 2.101 20 5 GEBDRO COc1ccc(C[C@](C)([NH3+])CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1 ZINC000826190860 607838291 /nfs/dbraw/zinc/83/82/91/607838291.db2.gz PKGJYDGADHBATF-SFHVURJKSA-N 1 0 383.412 2.156 20 5 GEBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1 ZINC000826498395 608173680 /nfs/dbraw/zinc/17/36/80/608173680.db2.gz SNUYFVGGLAJAPU-GOSISDBHSA-N 1 0 380.408 2.473 20 5 GEBDRO O=[N+]([O-])c1ccc(NCC2CCN(c3cc[nH+]cc3)CC2)c(-c2nn[nH]n2)c1 ZINC000826499001 608243222 /nfs/dbraw/zinc/24/32/22/608243222.db2.gz RISFJFMUGKHWJC-UHFFFAOYSA-N 1 0 380.412 2.498 20 5 GEBDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825139297 608552249 /nfs/dbraw/zinc/55/22/49/608552249.db2.gz DNBFVTDLBLQKLE-AEFFLSMTSA-N 1 0 398.423 2.256 20 5 GEBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000826283326 608554127 /nfs/dbraw/zinc/55/41/27/608554127.db2.gz ORPAQHAJBRVQBP-GFCCVEGCSA-N 1 0 381.396 2.373 20 5 GEBDRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824584952 608563613 /nfs/dbraw/zinc/56/36/13/608563613.db2.gz KHIHNYFDVGJVTB-GFCCVEGCSA-N 1 0 381.396 2.454 20 5 GEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000449187091 650033740 /nfs/dbraw/zinc/03/37/40/650033740.db2.gz KFFKQRKTDLKTQG-OCCSQVGLSA-N 1 0 384.479 2.012 20 5 GEBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000449717304 650047438 /nfs/dbraw/zinc/04/74/38/650047438.db2.gz MRKSKIMBROLIDD-BDAKNGLRSA-N 1 0 389.193 2.057 20 5 GEBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCCC[NH+](C)C ZINC000512327441 650546439 /nfs/dbraw/zinc/54/64/39/650546439.db2.gz ZKFVLKGWNGSCIM-UHFFFAOYSA-N 1 0 391.209 2.189 20 5 GEBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1[NH+](C)C ZINC000489245086 650756507 /nfs/dbraw/zinc/75/65/07/650756507.db2.gz FDBLOCQIQFAJAB-YPMHNXCESA-N 1 0 375.397 2.314 20 5 GEBDRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000533328760 650759994 /nfs/dbraw/zinc/75/99/94/650759994.db2.gz WHVKROZSDOFUEV-SNVBAGLBSA-N 1 0 381.376 2.234 20 5 GEBDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000493412669 650793680 /nfs/dbraw/zinc/79/36/80/650793680.db2.gz NLQOFLMAVUBGOX-ZFWWWQNUSA-N 1 0 386.246 2.437 20 5 GEBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1[NH+](C)C ZINC000495728966 650827294 /nfs/dbraw/zinc/82/72/94/650827294.db2.gz PBBYZAZBKYZREL-CHWSQXEVSA-N 1 0 388.287 2.475 20 5 GEBDRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119670447 643564681 /nfs/dbraw/zinc/56/46/81/643564681.db2.gz JAEALDFPVGJSJP-UHFFFAOYSA-N 1 0 385.467 2.075 20 5 GEBDRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000119969866 643583113 /nfs/dbraw/zinc/58/31/13/643583113.db2.gz JMNFCTLAANBWEC-UHFFFAOYSA-N 1 0 385.467 2.075 20 5 GEBDRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000124464474 643687258 /nfs/dbraw/zinc/68/72/58/643687258.db2.gz GEOMWQLKMASDLX-ZDUSSCGKSA-N 1 0 394.291 2.399 20 5 GEBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000124586549 643688039 /nfs/dbraw/zinc/68/80/39/643688039.db2.gz FFAGILOFISECEO-ONGXEEELSA-N 1 0 392.275 2.153 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000124906810 643692653 /nfs/dbraw/zinc/69/26/53/643692653.db2.gz AGDLMECROXPVCM-NXEZZACHSA-N 1 0 392.275 2.214 20 5 GEBDRO CS[C@@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000541062740 650870418 /nfs/dbraw/zinc/87/04/18/650870418.db2.gz VMLZHTPGJHDLRI-WCQYABFASA-N 1 0 375.397 2.314 20 5 GEBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000161160290 644208680 /nfs/dbraw/zinc/20/86/80/644208680.db2.gz HVVNAWUWGKSACZ-SNVBAGLBSA-N 1 0 389.193 2.023 20 5 GEBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000178933779 644445294 /nfs/dbraw/zinc/44/52/94/644445294.db2.gz XJUABSHGKQYHKC-LLVKDONJSA-N 1 0 392.275 2.120 20 5 GEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1cc(Cl)cs1 ZINC000193111014 645243087 /nfs/dbraw/zinc/24/30/87/645243087.db2.gz WFWGEXKNZJZLCW-UHFFFAOYSA-N 1 0 375.859 2.378 20 5 GEBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000193723168 645293568 /nfs/dbraw/zinc/29/35/68/645293568.db2.gz RJHHKPBWPIOYKL-JTQLQIEISA-N 1 0 392.275 2.120 20 5 GEBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000194189735 645315440 /nfs/dbraw/zinc/31/54/40/645315440.db2.gz WWIJCQQXZJVDOE-NSHDSACASA-N 1 0 392.275 2.120 20 5 GEBDRO CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000236624278 645414553 /nfs/dbraw/zinc/41/45/53/645414553.db2.gz IFTFMKDRRFUMEX-SNVBAGLBSA-N 1 0 380.264 2.009 20 5 GEBDRO C[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000237507836 645434470 /nfs/dbraw/zinc/43/44/70/645434470.db2.gz YRWILVVJUGXTAS-JOYOIKCWSA-N 1 0 392.275 2.105 20 5 GEBDRO [NH3+]CCCOC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000237824589 645444300 /nfs/dbraw/zinc/44/43/00/645444300.db2.gz RVXMSXMYVHVAKD-UHFFFAOYSA-N 1 0 386.246 2.327 20 5 GEBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000264598787 645694620 /nfs/dbraw/zinc/69/46/20/645694620.db2.gz CSOBMZNGHJRUIR-NSHDSACASA-N 1 0 392.275 2.072 20 5 GEBDRO Cn1c(Sc2ncc([N+](=O)[O-])cc2Br)nnc1C1CC[NH2+]CC1 ZINC000267226248 645889929 /nfs/dbraw/zinc/88/99/29/645889929.db2.gz KFDMTVXOAUKWDX-UHFFFAOYSA-N 1 0 399.274 2.499 20 5 GEBDRO CN1CC[NH+](CC2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)CC1 ZINC000267273188 645894167 /nfs/dbraw/zinc/89/41/67/645894167.db2.gz SRTLNRXFPLDULX-UHFFFAOYSA-N 1 0 398.305 2.216 20 5 GEBDRO COc1cc(C[NH2+][C@H](C)CC[S@](C)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272430299 646271893 /nfs/dbraw/zinc/27/18/93/646271893.db2.gz NHOATPOTOLNCRF-JUTIIYIPSA-N 1 0 380.413 2.494 20 5 GEBDRO CS[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@@H]1[NH+](C)C ZINC000277332759 646403881 /nfs/dbraw/zinc/40/38/81/646403881.db2.gz RTMCISPTIMRRJB-RYUDHWBXSA-N 1 0 388.287 2.475 20 5 GEBDRO CC(C)[NH+]1CCN([C@H]2CCN(c3ncc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000363919338 647612795 /nfs/dbraw/zinc/61/27/95/647612795.db2.gz JQNFANILICHIJK-ZDUSSCGKSA-N 1 0 398.305 2.357 20 5 GEBDRO CN1CC[NH+](C[C@H]2CCCN(c3c(Br)cncc3[N+](=O)[O-])C2)CC1 ZINC000367341830 647730583 /nfs/dbraw/zinc/73/05/83/647730583.db2.gz HRGFFKPXUVHSAQ-CYBMUJFWSA-N 1 0 398.305 2.216 20 5 GEBDRO CC(C)[NH+]1CCC(Nc2c(I)cncc2[N+](=O)[O-])CC1 ZINC000418832023 648315360 /nfs/dbraw/zinc/31/53/60/648315360.db2.gz PRCNKOLNQNJVSO-UHFFFAOYSA-N 1 0 390.225 2.301 20 5 GEBDRO C[NH+](C)C1CCN(c2c(I)cncc2[N+](=O)[O-])CC1 ZINC000418845327 648316935 /nfs/dbraw/zinc/31/69/35/648316935.db2.gz UYLHZIFGFSDKQH-UHFFFAOYSA-N 1 0 376.198 2.125 20 5 GEBDRO C[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C[NH3+] ZINC000420378573 648415030 /nfs/dbraw/zinc/41/50/30/648415030.db2.gz MEEUABGATVDNGQ-WDEREUQCSA-N 1 0 385.262 2.213 20 5 GEBDRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000420764830 648453392 /nfs/dbraw/zinc/45/33/92/648453392.db2.gz KMSPWIMVPWETER-NSHDSACASA-N 1 0 392.275 2.072 20 5 GEBDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000728591036 651548209 /nfs/dbraw/zinc/54/82/09/651548209.db2.gz RUCOYOLVIFVQNV-UHFFFAOYSA-N 1 0 392.275 2.074 20 5 GEBDRO COC1CC[NH+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000610573015 651671463 /nfs/dbraw/zinc/67/14/63/651671463.db2.gz JMYKMZKEALYXAC-UHFFFAOYSA-N 1 0 386.246 2.198 20 5 GEBDRO C[C@@H]1C[N@H+](C)CCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000568817037 651681457 /nfs/dbraw/zinc/68/14/57/651681457.db2.gz YVYRODJGEMEKRS-SNVBAGLBSA-N 1 0 375.210 2.335 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Br)cc2)c1 ZINC000571315913 651825304 /nfs/dbraw/zinc/82/53/04/651825304.db2.gz QOWLKTBKDDRWKB-QLFBSQMISA-N 1 0 381.230 2.060 20 5 GEBDRO [NH3+]CCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000572007072 651867166 /nfs/dbraw/zinc/86/71/66/651867166.db2.gz FIOISZOITRZAEC-UHFFFAOYSA-N 1 0 381.376 2.363 20 5 GEBDRO O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000572134600 651875327 /nfs/dbraw/zinc/87/53/27/651875327.db2.gz CRORLZSUQYSIAX-CYBMUJFWSA-N 1 0 385.262 2.443 20 5 GEBDRO COC[C@](C)(CCO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000576743031 652141039 /nfs/dbraw/zinc/14/10/39/652141039.db2.gz DLNBFEJJKIQAKS-ZDUSSCGKSA-N 1 0 394.209 2.077 20 5 GEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000576822216 652146070 /nfs/dbraw/zinc/14/60/70/652146070.db2.gz BYJVFFANIXFXAR-JTQLQIEISA-N 1 0 381.376 2.282 20 5 GEBDRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000758057738 652529578 /nfs/dbraw/zinc/52/95/78/652529578.db2.gz RELXIYNFUWNARJ-UHFFFAOYSA-N 1 0 375.878 2.400 20 5 GEBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)c(Br)c1 ZINC000590192759 652576327 /nfs/dbraw/zinc/57/63/27/652576327.db2.gz GIFRLLISRVEXEG-BXKDBHETSA-N 1 0 387.209 2.405 20 5 GEBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)c(Br)c1 ZINC000590192771 652576403 /nfs/dbraw/zinc/57/64/03/652576403.db2.gz GIFRLLISRVEXEG-SKDRFNHKSA-N 1 0 387.209 2.405 20 5 GEBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000596053262 652752914 /nfs/dbraw/zinc/75/29/14/652752914.db2.gz XXSFFTXIVFQVBW-SNVBAGLBSA-N 1 0 375.756 2.067 20 5 GEBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000765182748 652829423 /nfs/dbraw/zinc/82/94/23/652829423.db2.gz BDYRSWJZQQJNKO-UHFFFAOYSA-N 1 0 394.291 2.368 20 5 GEBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000765195906 652830364 /nfs/dbraw/zinc/83/03/64/652830364.db2.gz URYPKEKECGIHDJ-ZJUUUORDSA-N 1 0 392.275 2.118 20 5 GEBDRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C2 ZINC000598727561 652831573 /nfs/dbraw/zinc/83/15/73/652831573.db2.gz XKRVCHVJWUXPMI-AMIZOPFISA-N 1 0 380.253 2.404 20 5 GEBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000765551184 652843666 /nfs/dbraw/zinc/84/36/66/652843666.db2.gz CRJBBMVYMXFPJQ-CQSZACIVSA-N 1 0 397.273 2.100 20 5 GEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000599102236 652849536 /nfs/dbraw/zinc/84/95/36/652849536.db2.gz PTWCEXOHHYXGOO-ZYHUDNBSSA-N 1 0 381.376 2.051 20 5 GEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000599102893 652849616 /nfs/dbraw/zinc/84/96/16/652849616.db2.gz QTDAZQWKSAMGQE-ZYHUDNBSSA-N 1 0 381.376 2.051 20 5 GEBDRO CS[C@@H]1CN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000601396534 653090924 /nfs/dbraw/zinc/09/09/24/653090924.db2.gz FPPWTVNQZJWZQE-VXGBXAGGSA-N 1 0 391.540 2.165 20 5 GEBDRO COCC[NH2+]C1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000602519697 653187437 /nfs/dbraw/zinc/18/74/37/653187437.db2.gz HXLQTRABQNBRCI-UHFFFAOYSA-N 1 0 386.246 2.198 20 5 GEBDRO C[C@@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)C[NH2+]1 ZINC000602555529 653190689 /nfs/dbraw/zinc/19/06/89/653190689.db2.gz RGFOWURPGAFXNK-RKDXNWHRSA-N 1 0 389.193 2.070 20 5 GEBDRO O=[N+]([O-])c1sc(C[NH2+]CC2CCS(=O)(=O)CC2)cc1Br ZINC000602580978 653192266 /nfs/dbraw/zinc/19/22/66/653192266.db2.gz RMRFXRIVFXRNFC-UHFFFAOYSA-N 1 0 383.289 2.333 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H](CCO)C2CC2)c1 ZINC000809976211 653315859 /nfs/dbraw/zinc/31/58/59/653315859.db2.gz KRMCAQLEACXACN-CYBMUJFWSA-N 1 0 376.194 2.450 20 5 GEBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000700973623 653318621 /nfs/dbraw/zinc/31/86/21/653318621.db2.gz DZCNZOJZZUHGMX-QWRGUYRKSA-N 1 0 389.193 2.055 20 5 GEBDRO C[C@@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)C[NH2+]1 ZINC000700981726 653319044 /nfs/dbraw/zinc/31/90/44/653319044.db2.gz HCEHQYWKFIZFDF-BDAKNGLRSA-N 1 0 389.193 2.070 20 5 GEBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000712334384 653323711 /nfs/dbraw/zinc/32/37/11/653323711.db2.gz IWRPCNHWDILIAK-SNVBAGLBSA-N 1 0 389.193 2.023 20 5 GEBDRO C[N@H+](C[C@@H](O)COc1cc([N+](=O)[O-])ccc1I)C1CC1 ZINC000811818888 653407383 /nfs/dbraw/zinc/40/73/83/653407383.db2.gz WLZBLOIGDVZZBX-LLVKDONJSA-N 1 0 392.193 2.033 20 5 GEBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@H]2COC3(CCOCC3)O2)cc1Br ZINC000877142259 653468360 /nfs/dbraw/zinc/46/83/60/653468360.db2.gz RKRSNGZLMSTMJE-VIFPVBQESA-N 1 0 393.259 2.431 20 5 GEBDRO CC(C)(O)CN1CC[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000877664979 653616210 /nfs/dbraw/zinc/61/62/10/653616210.db2.gz AMBKJOLMNCBVAI-VIFPVBQESA-N 1 0 378.292 2.354 20 5 GEBDRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000817149174 653704171 /nfs/dbraw/zinc/70/41/71/653704171.db2.gz BFHSCEVGTQCOQS-JTQLQIEISA-N 1 0 392.275 2.072 20 5 GEBDRO [NH3+]C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)C1 ZINC000841234950 653711743 /nfs/dbraw/zinc/71/17/43/653711743.db2.gz UMAHFUBGUYKIOP-QMMMGPOBSA-N 1 0 390.181 2.012 20 5 GEBDRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000841546000 653730981 /nfs/dbraw/zinc/73/09/81/653730981.db2.gz BUFCCVUGLARCNV-JTQLQIEISA-N 1 0 379.841 2.398 20 5 GEBDRO O=C(NCC1CC[NH2+]CC1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841923599 653742548 /nfs/dbraw/zinc/74/25/48/653742548.db2.gz AIHSHBUPGRGROR-UHFFFAOYSA-N 1 0 397.273 2.425 20 5 GEBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841989425 653743090 /nfs/dbraw/zinc/74/30/90/653743090.db2.gz OXOTZECYSCAONK-YGRLFVJLSA-N 1 0 397.273 2.423 20 5 GEBDRO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000842699405 653763613 /nfs/dbraw/zinc/76/36/13/653763613.db2.gz NSSSTJOQLPTMFC-ZJUUUORDSA-N 1 0 392.275 2.024 20 5 GEBDRO CC[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000842792012 653767575 /nfs/dbraw/zinc/76/75/75/653767575.db2.gz DIFWVBXEVQDNCY-MWLCHTKSSA-N 1 0 392.275 2.105 20 5 GEBDRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000842838500 653770313 /nfs/dbraw/zinc/77/03/13/653770313.db2.gz OHJRHYVKHMPUPR-SNVBAGLBSA-N 1 0 392.275 2.107 20 5 GEBDRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842869300 653771149 /nfs/dbraw/zinc/77/11/49/653771149.db2.gz IZILEIDIHBEJMK-SECBINFHSA-N 1 0 380.264 2.153 20 5 GEBDRO O=[N+]([O-])c1cc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)ccc1Br ZINC000842894884 653772467 /nfs/dbraw/zinc/77/24/67/653772467.db2.gz JMHBQBUFZRFJFB-SNVBAGLBSA-N 1 0 392.275 2.168 20 5 GEBDRO O=[N+]([O-])c1cc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)ccc1Br ZINC000842894883 653772512 /nfs/dbraw/zinc/77/25/12/653772512.db2.gz JMHBQBUFZRFJFB-JTQLQIEISA-N 1 0 392.275 2.168 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC[C@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000843092600 653778955 /nfs/dbraw/zinc/77/89/55/653778955.db2.gz CCBARSOLGBRGAX-WFASDCNBSA-N 1 0 389.239 2.172 20 5 GEBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000844032569 653799727 /nfs/dbraw/zinc/79/97/27/653799727.db2.gz BTUMMCFMLMHINN-VIFPVBQESA-N 1 0 389.239 2.094 20 5 GEBDRO O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000882726601 653800658 /nfs/dbraw/zinc/80/06/58/653800658.db2.gz YFOCODRTKKXANP-CYBMUJFWSA-N 1 0 385.262 2.490 20 5 GEBDRO CC1=NO[C@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000895304161 653826734 /nfs/dbraw/zinc/82/67/34/653826734.db2.gz GUVFJOXZCXCDEB-LBPRGKRZSA-N 1 0 375.166 2.454 20 5 GEBDRO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000866804272 653829222 /nfs/dbraw/zinc/82/92/22/653829222.db2.gz UFFDBCCPRFTOEH-UHFFFAOYSA-N 1 0 392.275 2.120 20 5 GEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866826304 653833730 /nfs/dbraw/zinc/83/37/30/653833730.db2.gz XQFNELFEQAQMTD-QWRGUYRKSA-N 1 0 379.360 2.129 20 5 GEBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000896220894 653869622 /nfs/dbraw/zinc/86/96/22/653869622.db2.gz KIISCDHAWPWTEQ-SECBINFHSA-N 1 0 393.246 2.406 20 5 GEBDRO [NH3+]CCC1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000846234585 653892463 /nfs/dbraw/zinc/89/24/63/653892463.db2.gz HZHWTVJGZLVNTO-UHFFFAOYSA-N 1 0 392.275 2.107 20 5 GEBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000885893459 653962564 /nfs/dbraw/zinc/96/25/64/653962564.db2.gz RHFZRTUJROXZTL-GFCCVEGCSA-N 1 0 398.257 2.340 20 5 GEBDRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795944518 653979016 /nfs/dbraw/zinc/97/90/16/653979016.db2.gz KWGFCFKLOWPVIP-UHFFFAOYSA-N 1 0 379.841 2.492 20 5 GEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCc4ncc(Br)n4C3)C2)c1 ZINC000898720910 653981933 /nfs/dbraw/zinc/98/19/33/653981933.db2.gz OHPOKWGMSTZQMT-KPPDAEKUSA-N 1 0 381.234 2.058 20 5 GEBDRO C[N@@H+]1CC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CC[C@H]21 ZINC000827308313 653985278 /nfs/dbraw/zinc/98/52/78/653985278.db2.gz BKNOVGRHMCUXGV-SWLSCSKDSA-N 1 0 382.258 2.452 20 5 GEBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796490548 653999002 /nfs/dbraw/zinc/99/90/02/653999002.db2.gz VVQLXQAHMVOIOR-BXUZGUMPSA-N 1 0 375.878 2.446 20 5 GEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000828510130 654038949 /nfs/dbraw/zinc/03/89/49/654038949.db2.gz GYIYYQGDGLHLSA-BXKDBHETSA-N 1 0 383.246 2.106 20 5 GEBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cccc([N+](=O)[O-])c1Br ZINC000900719338 654077852 /nfs/dbraw/zinc/07/78/52/654077852.db2.gz GOUCLFKYXYYVCH-LBPRGKRZSA-N 1 0 398.257 2.340 20 5 GEBDRO C[NH+](C)CCn1cc(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000919104241 654171174 /nfs/dbraw/zinc/17/11/74/654171174.db2.gz OGFBHGQOHWMNEC-UHFFFAOYSA-N 1 0 396.245 2.045 20 5 GEBDRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000851814245 654180505 /nfs/dbraw/zinc/18/05/05/654180505.db2.gz ZHYHHPBKSVRIKJ-SNVBAGLBSA-N 1 0 379.841 2.492 20 5 GEBDRO CCO[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C[NH+](C)C ZINC000831719454 654202583 /nfs/dbraw/zinc/20/25/83/654202583.db2.gz RZMPZKFXZRRFOV-LBPRGKRZSA-N 1 0 388.262 2.362 20 5 GEBDRO CC[N@@H+]1CCN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])C[C@H]1C ZINC000802862745 654247292 /nfs/dbraw/zinc/24/72/92/654247292.db2.gz GOASNOYNWXMMGU-GFCCVEGCSA-N 1 0 399.289 2.346 20 5 GEBDRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000802878631 654249623 /nfs/dbraw/zinc/24/96/23/654249623.db2.gz XYOQWKSLKMKRLB-TXEJJXNPSA-N 1 0 399.289 2.345 20 5 GEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000802994278 654254891 /nfs/dbraw/zinc/25/48/91/654254891.db2.gz UHXQSZQALCIVNI-NWDGAFQWSA-N 1 0 399.289 2.345 20 5 GEBDRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000903577269 654260008 /nfs/dbraw/zinc/26/00/08/654260008.db2.gz IDQSIUOVKPYHSS-NSHDSACASA-N 1 0 392.275 2.120 20 5 GEBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000905429349 654356747 /nfs/dbraw/zinc/35/67/47/654356747.db2.gz ZRXLQOLIKSRGIF-CYBMUJFWSA-N 1 0 389.246 2.003 20 5 GEBDRO C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000905642314 654371460 /nfs/dbraw/zinc/37/14/60/654371460.db2.gz HHNPRDBZSSCJJB-ABAIWWIYSA-N 1 0 383.246 2.308 20 5 GEBDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000923355332 654445920 /nfs/dbraw/zinc/44/59/20/654445920.db2.gz JZMTYYKREXMPIP-AWEZNQCLSA-N 1 0 380.246 2.237 20 5 GEBDRO CN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000932547007 654780600 /nfs/dbraw/zinc/78/06/00/654780600.db2.gz ADKFNAUNPRUPNJ-NSHDSACASA-N 1 0 383.246 2.248 20 5 GEBDRO CN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000932547006 654780745 /nfs/dbraw/zinc/78/07/45/654780745.db2.gz ADKFNAUNPRUPNJ-LLVKDONJSA-N 1 0 383.246 2.248 20 5 GEBDRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC2 ZINC000932835507 654792955 /nfs/dbraw/zinc/79/29/55/654792955.db2.gz MHWGZXVPUHBUMN-LBPRGKRZSA-N 1 0 388.251 2.365 20 5 GEBDRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000934034479 654834680 /nfs/dbraw/zinc/83/46/80/654834680.db2.gz LAMVEUCVCZJMKP-CHWSQXEVSA-N 1 0 392.193 2.093 20 5 GEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000934888972 654864711 /nfs/dbraw/zinc/86/47/11/654864711.db2.gz GMMNOXNHSHBIRR-MFKMUULPSA-N 1 0 397.273 2.496 20 5 GEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000934888970 654864723 /nfs/dbraw/zinc/86/47/23/654864723.db2.gz GMMNOXNHSHBIRR-GWCFXTLKSA-N 1 0 397.273 2.496 20 5 GEBDRO C[NH+](C)CCCOC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000915275053 654867371 /nfs/dbraw/zinc/86/73/71/654867371.db2.gz FEMCASHEWVVAKV-UHFFFAOYSA-N 1 0 378.166 2.308 20 5 GEBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC001164805854 720093156 /nfs/dbraw/zinc/09/31/56/720093156.db2.gz ABAOKUYKPZETJR-KDOFPFPSSA-N 1 0 391.428 2.083 20 5 GEBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001164820980 720303542 /nfs/dbraw/zinc/30/35/42/720303542.db2.gz INQSMDUUWPRIJY-HOTGVXAUSA-N 1 0 391.447 2.040 20 5 GEBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164732957 720553551 /nfs/dbraw/zinc/55/35/51/720553551.db2.gz GUHGXTXYVCLBDG-UHFFFAOYSA-N 1 0 376.848 2.498 20 5 GEBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164729580 720562112 /nfs/dbraw/zinc/56/21/12/720562112.db2.gz RBBHFVHWLDFPAE-UHFFFAOYSA-N 1 0 393.451 2.393 20 5 GEBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164746386 720748355 /nfs/dbraw/zinc/74/83/55/720748355.db2.gz XSNDYZLFGXYOEY-SJORKVTESA-N 1 0 392.419 2.275 20 5 GEBDRO Cc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c([N+](=O)[O-])c1 ZINC001164747764 720811619 /nfs/dbraw/zinc/81/16/19/720811619.db2.gz PJSHCQQYYUGBJG-FGTMMUONSA-N 1 0 397.483 2.269 20 5 GEBDRO CCOC(=O)c1nc(Cl)nc(N2CC3(C2)CC[N@H+](CC2CC2)C3)c1[N+](=O)[O-] ZINC001164770056 721280672 /nfs/dbraw/zinc/28/06/72/721280672.db2.gz TXKPQMVOMOBBGJ-UHFFFAOYSA-N 1 0 395.847 2.137 20 5 GEBDRO Cc1ccnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164892255 721393537 /nfs/dbraw/zinc/39/35/37/721393537.db2.gz SKEVJBARBNKJDW-XLIONFOSSA-N 1 0 389.500 2.064 20 5 GEBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])C[C@@H]21 ZINC001165027668 721800652 /nfs/dbraw/zinc/80/06/52/721800652.db2.gz XFMWWIWENSCMGL-AYOQOUSVSA-N 1 0 383.452 2.360 20 5 GEBDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001164928086 721855102 /nfs/dbraw/zinc/85/51/02/721855102.db2.gz NGJMVBMQCDURDT-RYUDHWBXSA-N 1 0 389.834 2.403 20 5 GEBDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001164928083 721855184 /nfs/dbraw/zinc/85/51/84/721855184.db2.gz NGJMVBMQCDURDT-NEPJUHHUSA-N 1 0 389.834 2.403 20 5 GEBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001165050501 721978517 /nfs/dbraw/zinc/97/85/17/721978517.db2.gz TXSGVUSREVJWTC-HNNXBMFYSA-N 1 0 376.461 2.496 20 5 GEBDRO COc1cc2ncnc(N3CC[NH+](CCc4ccccn4)CC3)c2cc1[N+](=O)[O-] ZINC001165055372 722013021 /nfs/dbraw/zinc/01/30/21/722013021.db2.gz HAIWGNDCJZQWDZ-UHFFFAOYSA-N 1 0 394.435 2.306 20 5 GEBDRO COc1ncnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1[N+](=O)[O-] ZINC001164952124 722017788 /nfs/dbraw/zinc/01/77/88/722017788.db2.gz HRSHZXPFOBQDAQ-UHFFFAOYSA-N 1 0 384.440 2.281 20 5 GEBDRO Nc1nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)ccc1[N+](=O)[O-] ZINC001164962916 722057460 /nfs/dbraw/zinc/05/74/60/722057460.db2.gz FVRXHFXTYCECFU-UHFFFAOYSA-N 1 0 398.467 2.086 20 5 GEBDRO COc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164984757 722105968 /nfs/dbraw/zinc/10/59/68/722105968.db2.gz UVAOGCRFIIDNGV-WMZOPIPTSA-N 1 0 399.451 2.121 20 5 GEBDRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)CCC2 ZINC001165002952 722254418 /nfs/dbraw/zinc/25/44/18/722254418.db2.gz YEAVGLCDEOHAGY-UHFFFAOYSA-N 1 0 399.455 2.156 20 5 GEBDRO C[NH+](C)CCCCNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000041677941 531667461 /nfs/dbraw/zinc/66/74/61/531667461.db2.gz SOQMKWNHBKGVDT-UHFFFAOYSA-N 1 0 391.209 2.271 20 5 GEBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000162111070 531835654 /nfs/dbraw/zinc/83/56/54/531835654.db2.gz XMWXNRBULDMBJT-DTWKUNHWSA-N 1 0 389.193 2.199 20 5 GEBDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000163349732 531857767 /nfs/dbraw/zinc/85/77/67/531857767.db2.gz JRQAGBRDJHXAGM-JTQLQIEISA-N 1 0 381.376 2.234 20 5 GEBDRO Cc1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1[N+](=O)[O-] ZINC000171841610 531920173 /nfs/dbraw/zinc/92/01/73/531920173.db2.gz RTGMUWULBDZLCZ-UHFFFAOYSA-N 1 0 377.413 2.257 20 5 GEBDRO C[N@@H+](Cc1ccc(Br)s1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174707098 532074808 /nfs/dbraw/zinc/07/48/08/532074808.db2.gz LIMNIVXCRSQTKX-JTQLQIEISA-N 1 0 375.248 2.108 20 5 GEBDRO Cc1sc(S(=O)(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000122829684 532083869 /nfs/dbraw/zinc/08/38/69/532083869.db2.gz NAKKFUVNQOXHRG-CQSZACIVSA-N 1 0 383.495 2.416 20 5 GEBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000125006634 532132144 /nfs/dbraw/zinc/13/21/44/532132144.db2.gz UURSCRPGAHUELY-SNVBAGLBSA-N 1 0 380.264 2.153 20 5 GEBDRO C[NH+](C)C1CCN(CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000177355836 532169213 /nfs/dbraw/zinc/16/92/13/532169213.db2.gz FRNOKOHZZCYXLS-UHFFFAOYSA-N 1 0 399.289 2.113 20 5 GEBDRO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000177764831 532182490 /nfs/dbraw/zinc/18/24/90/532182490.db2.gz YLAPODWJUZGKAC-CYBMUJFWSA-N 1 0 397.273 2.466 20 5 GEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)nc1 ZINC000181400261 532297815 /nfs/dbraw/zinc/29/78/15/532297815.db2.gz NTZBXBXFXHFFAB-NSHDSACASA-N 1 0 384.845 2.272 20 5 GEBDRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000150882302 532303356 /nfs/dbraw/zinc/30/33/56/532303356.db2.gz NZEWKZQOMLCGAN-LBPRGKRZSA-N 1 0 393.893 2.192 20 5 GEBDRO C[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000182968037 532319826 /nfs/dbraw/zinc/31/98/26/532319826.db2.gz MFTQXBFESVJZNQ-GFCCVEGCSA-N 1 0 386.905 2.092 20 5 GEBDRO CN(CC[N@H+](C)C1CC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000186795222 532342092 /nfs/dbraw/zinc/34/20/92/532342092.db2.gz JPVYVAFFKGWCTL-UHFFFAOYSA-N 1 0 385.262 2.322 20 5 GEBDRO C[N@@H+]1C[C@@H]2CCN(Cc3cc(I)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590011949 532366735 /nfs/dbraw/zinc/36/67/35/532366735.db2.gz NLKKLRNJLROPDX-SMDDNHRTSA-N 1 0 387.221 2.335 20 5 GEBDRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000516180902 532382171 /nfs/dbraw/zinc/38/21/71/532382171.db2.gz QNHCMUGGLAZQBU-JTQLQIEISA-N 1 0 381.376 2.234 20 5 GEBDRO Cc1nc(C)c(CN(CC[NH3+])c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])s1 ZINC000516602992 532387985 /nfs/dbraw/zinc/38/79/85/532387985.db2.gz ISWSGUHGJSVOHK-UHFFFAOYSA-N 1 0 384.483 2.037 20 5 GEBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000591677553 532420473 /nfs/dbraw/zinc/42/04/73/532420473.db2.gz LSBNDSLYHSBSOR-LLVKDONJSA-N 1 0 389.193 2.071 20 5 GEBDRO CC1(NC(=O)c2ccc([N+](=O)[O-])cc2I)CC[NH2+]CC1 ZINC000193358404 532422915 /nfs/dbraw/zinc/42/29/15/532422915.db2.gz HPTYKKWBJLDARE-UHFFFAOYSA-N 1 0 389.193 2.071 20 5 GEBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1sc(Br)cc1[N+](=O)[O-] ZINC000373113885 532433114 /nfs/dbraw/zinc/43/31/14/532433114.db2.gz WKAHFHHGYPANPF-IUCAKERBSA-N 1 0 390.259 2.012 20 5 GEBDRO C[NH2+]CC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000592368561 532452460 /nfs/dbraw/zinc/45/24/60/532452460.db2.gz XPIVAMWRMHMLFI-UHFFFAOYSA-N 1 0 381.376 2.234 20 5 GEBDRO CC1([NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)CC1 ZINC000592330791 532450849 /nfs/dbraw/zinc/45/08/49/532450849.db2.gz FTVSTRPFRSBJDI-UHFFFAOYSA-N 1 0 389.193 2.153 20 5 GEBDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000592370524 532451517 /nfs/dbraw/zinc/45/15/17/532451517.db2.gz LFKJWGFYCLZMDN-BXKDBHETSA-N 1 0 381.376 2.362 20 5 GEBDRO CC(C)[NH2+]CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000592368070 532451742 /nfs/dbraw/zinc/45/17/42/532451742.db2.gz DWDGNETXPUPSOV-UHFFFAOYSA-N 1 0 380.264 2.024 20 5 GEBDRO C[C@@H]([NH3+])[C@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000430586755 532501538 /nfs/dbraw/zinc/50/15/38/532501538.db2.gz XHNVLAJLZAQTLR-MNOVXSKESA-N 1 0 385.262 2.355 20 5 GEBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000564943655 532539876 /nfs/dbraw/zinc/53/98/76/532539876.db2.gz GDEVBZITIBIKOM-GFCCVEGCSA-N 1 0 391.209 2.221 20 5 GEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000375048769 532530322 /nfs/dbraw/zinc/53/03/22/532530322.db2.gz ZSEDUOARTYXKTK-AAEUAGOBSA-N 1 0 398.257 2.259 20 5 GEBDRO Cc1c(Br)c(NCCC[N@@H+]2CCCO[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000432879118 532547051 /nfs/dbraw/zinc/54/70/51/532547051.db2.gz SGOIGZUQNUZSIR-NSHDSACASA-N 1 0 387.278 2.974 20 5 GEBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596174598 532590026 /nfs/dbraw/zinc/59/00/26/532590026.db2.gz JOZKNNWYLFMPTJ-AWEZNQCLSA-N 1 0 397.273 2.276 20 5 GEBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@@]2(N3CCOCC3)CCSC2)s1 ZINC000376075645 532594167 /nfs/dbraw/zinc/59/41/67/532594167.db2.gz XSPZPXQXLTVSAC-HNNXBMFYSA-N 1 0 381.483 2.219 20 5 GEBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000283997960 532572594 /nfs/dbraw/zinc/57/25/94/532572594.db2.gz NKJPQPAXEZSWOM-NSHDSACASA-N 1 0 386.246 2.116 20 5 GEBDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)C[C@H]21 ZINC000375710744 532578123 /nfs/dbraw/zinc/57/81/23/532578123.db2.gz MWAIPPXZVIYTIA-BXKDBHETSA-N 1 0 377.825 2.102 20 5 GEBDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000472688494 532580621 /nfs/dbraw/zinc/58/06/21/532580621.db2.gz DWXHLWJIJXIZDW-UHFFFAOYSA-N 1 0 392.275 2.072 20 5 GEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000375751935 532581185 /nfs/dbraw/zinc/58/11/85/532581185.db2.gz YREZZNMIMYHFOO-AWEZNQCLSA-N 1 0 381.479 2.457 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(c3ccccc3Br)CC2)c1 ZINC000566616028 532619476 /nfs/dbraw/zinc/61/94/76/532619476.db2.gz XCAGOQAQAIQYNN-CYBMUJFWSA-N 1 0 395.257 2.236 20 5 GEBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCC([NH3+])CC1 ZINC000566196183 532600360 /nfs/dbraw/zinc/60/03/60/532600360.db2.gz YNPCDQUTQOSCEO-UHFFFAOYSA-N 1 0 389.193 2.071 20 5 GEBDRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000597693123 532624101 /nfs/dbraw/zinc/62/41/01/532624101.db2.gz BFBQLIFHXVAPMX-LSDHHAIUSA-N 1 0 398.257 2.293 20 5 GEBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)c1 ZINC000567898968 532669591 /nfs/dbraw/zinc/66/95/91/532669591.db2.gz JITHRHDGRGIAJJ-LLVKDONJSA-N 1 0 392.275 2.168 20 5 GEBDRO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000440339643 532710073 /nfs/dbraw/zinc/71/00/73/532710073.db2.gz KPWQFWBLPJMLIU-ZJUUUORDSA-N 1 0 381.376 2.280 20 5 GEBDRO O=[N+]([O-])c1ccn(CC[N@@H+](CCO)Cc2cc(Br)cs2)n1 ZINC000494279215 532715770 /nfs/dbraw/zinc/71/57/70/532715770.db2.gz IEWBPGQZQDCFDF-UHFFFAOYSA-N 1 0 375.248 2.110 20 5 GEBDRO C[N@@H+]1CCC[C@H](NC(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000611223005 532720955 /nfs/dbraw/zinc/72/09/55/532720955.db2.gz AVSKZMWDPWQISQ-NSHDSACASA-N 1 0 389.193 2.023 20 5 GEBDRO COc1ccsc1CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000576148745 532724766 /nfs/dbraw/zinc/72/47/66/532724766.db2.gz UEJFMXBHGIFANC-UHFFFAOYSA-N 1 0 385.467 2.034 20 5 GEBDRO C[NH+](C)C1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301072617 532739134 /nfs/dbraw/zinc/73/91/34/532739134.db2.gz HNRXWMHZOPPPAL-UHFFFAOYSA-N 1 0 381.376 2.419 20 5 GEBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301702345 532758238 /nfs/dbraw/zinc/75/82/38/532758238.db2.gz UEKNLPXYBHVJDV-CQSZACIVSA-N 1 0 398.305 2.359 20 5 GEBDRO C[NH+](C)[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCSC1 ZINC000272263727 532814189 /nfs/dbraw/zinc/81/41/89/532814189.db2.gz BZTPLCUVVZNZAZ-OAHLLOKOSA-N 1 0 375.397 2.363 20 5 GEBDRO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000414538272 532831762 /nfs/dbraw/zinc/83/17/62/532831762.db2.gz AVUBJIGXBSCECD-SECBINFHSA-N 1 0 391.209 2.202 20 5 GEBDRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCCCC1 ZINC000415279057 532840354 /nfs/dbraw/zinc/84/03/54/532840354.db2.gz ITPFVVYBOLVIOX-UHFFFAOYSA-N 1 0 399.245 2.074 20 5 GEBDRO C[C@H](O)[C@@H]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000289483566 532856316 /nfs/dbraw/zinc/85/63/16/532856316.db2.gz IPHYNPFRHZDBAV-GXSJLCMTSA-N 1 0 376.194 2.402 20 5 GEBDRO CC(C)[C@@H]1CN(c2c(I)cncc2[N+](=O)[O-])CCN1C ZINC000418933124 532881745 /nfs/dbraw/zinc/88/17/45/532881745.db2.gz DHMDVTPPLARVGP-LBPRGKRZSA-N 1 0 390.225 2.371 20 5 GEBDRO CC(=O)N1CCN(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290802990 532889634 /nfs/dbraw/zinc/88/96/34/532889634.db2.gz FIPVVVCMVQPTHD-UHFFFAOYSA-N 1 0 375.256 2.155 20 5 GEBDRO O=C(CN1CC[NH+]([C@@H]2CCSC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000361946031 532894348 /nfs/dbraw/zinc/89/43/48/532894348.db2.gz VSJQCSSMDNTZKV-CYBMUJFWSA-N 1 0 384.889 2.310 20 5 GEBDRO C[N@H+](CCc1cccc(Br)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000291273797 532899516 /nfs/dbraw/zinc/89/95/16/532899516.db2.gz PUAJBIZZWFHCNY-OAHLLOKOSA-N 1 0 383.246 2.089 20 5 GEBDRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000370093680 532942221 /nfs/dbraw/zinc/94/22/21/532942221.db2.gz TZTAPCLKRQCRKA-OWUUHHOZSA-N 1 0 390.259 2.000 20 5 GEBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(-c2nn[nH]n2)c1 ZINC000820426358 599392917 /nfs/dbraw/zinc/39/29/17/599392917.db2.gz ITNMYWIJAAFANO-LLVKDONJSA-N 1 0 382.380 2.492 20 5 GEBDRO C[NH+](C)CC1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821583236 599482883 /nfs/dbraw/zinc/48/28/83/599482883.db2.gz NIEQTIYDEMTLNR-UHFFFAOYSA-N 1 0 382.428 2.101 20 5 GEBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)s1 ZINC000444784894 649952437 /nfs/dbraw/zinc/95/24/37/649952437.db2.gz PKZZZZUEJMDDBX-WPRPVWTQSA-N 1 0 375.248 2.327 20 5 GEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820761630 606470705 /nfs/dbraw/zinc/47/07/05/606470705.db2.gz YVQIGNFOCVSBMS-GUYCJALGSA-N 1 0 394.439 2.492 20 5 GEBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820571103 606700527 /nfs/dbraw/zinc/70/05/27/606700527.db2.gz VWPYRKLWPUEQCG-OCCSQVGLSA-N 1 0 380.412 2.417 20 5 GEBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820705549 606710337 /nfs/dbraw/zinc/71/03/37/606710337.db2.gz UZXGBYGEPSHVIU-ZIAGYGMSSA-N 1 0 386.460 2.261 20 5 GEBDRO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000820668965 606875389 /nfs/dbraw/zinc/87/53/89/606875389.db2.gz XUESLICNYSKIKI-JSGCOSHPSA-N 1 0 380.412 2.245 20 5 GEBDRO CC[C@@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825143964 608552146 /nfs/dbraw/zinc/55/21/46/608552146.db2.gz XCEQLDYBAWUFAG-QGZVFWFLSA-N 1 0 395.423 2.132 20 5 GEBDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000453272109 650207636 /nfs/dbraw/zinc/20/76/36/650207636.db2.gz ADXSMNLXLMEISA-CHWSQXEVSA-N 1 0 375.516 2.383 20 5 GEBDRO COCCC[N@H+](C)CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501087314 650387971 /nfs/dbraw/zinc/38/79/71/650387971.db2.gz XNQOHMGXTKFATA-UHFFFAOYSA-N 1 0 389.250 2.447 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]CCc2cccc(Cl)c2)cc1 ZINC000459392991 650423803 /nfs/dbraw/zinc/42/38/03/650423803.db2.gz XIBMIOAIZJTXJY-UHFFFAOYSA-N 1 0 383.857 2.359 20 5 GEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](CO)[C@H](O)C3)o2)c(Br)c1 ZINC000459702143 650430184 /nfs/dbraw/zinc/43/01/84/650430184.db2.gz KZGQHUQKWCTWLR-MEBBXXQBSA-N 1 0 397.225 2.402 20 5 GEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000504917987 650433958 /nfs/dbraw/zinc/43/39/58/650433958.db2.gz FLGHHXUTWOVXTH-ZIAGYGMSSA-N 1 0 387.527 2.479 20 5 GEBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000480680840 650627903 /nfs/dbraw/zinc/62/79/03/650627903.db2.gz YORUXSWMLNFSAM-SNVBAGLBSA-N 1 0 394.291 2.366 20 5 GEBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000109065160 643288825 /nfs/dbraw/zinc/28/88/25/643288825.db2.gz SMRAXWZGCPKIPZ-SNVBAGLBSA-N 1 0 394.291 2.366 20 5 GEBDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000119243673 643544932 /nfs/dbraw/zinc/54/49/32/643544932.db2.gz LOUISKZJOLALQS-UHFFFAOYSA-N 1 0 392.275 2.072 20 5 GEBDRO O=[N+]([O-])c1cc(S(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)cs1 ZINC000119486008 643554077 /nfs/dbraw/zinc/55/40/77/643554077.db2.gz IIPDULHMBQURQO-UHFFFAOYSA-N 1 0 381.479 2.383 20 5 GEBDRO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000124206312 643683251 /nfs/dbraw/zinc/68/32/51/643683251.db2.gz NVACIXIRAVHRJX-VIFPVBQESA-N 1 0 380.264 2.009 20 5 GEBDRO CC(C)(C)[NH2+]CCNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000130308327 643834220 /nfs/dbraw/zinc/83/42/20/643834220.db2.gz CKTZADNXHSCFGY-UHFFFAOYSA-N 1 0 391.209 2.317 20 5 GEBDRO CC[NH+](CC)CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000133867366 643898183 /nfs/dbraw/zinc/89/81/83/643898183.db2.gz KDQFQZKYMAVJIV-UHFFFAOYSA-N 1 0 394.291 2.368 20 5 GEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000162947746 644242703 /nfs/dbraw/zinc/24/27/03/644242703.db2.gz JXKLKKNDGGISRN-VIFPVBQESA-N 1 0 391.209 2.447 20 5 GEBDRO C[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[N@H+](C)C1CC1 ZINC000173109043 644352654 /nfs/dbraw/zinc/35/26/54/644352654.db2.gz XGNQTWHUTNPAMK-SECBINFHSA-N 1 0 392.275 2.118 20 5 GEBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000178932731 644445248 /nfs/dbraw/zinc/44/52/48/644445248.db2.gz ARCBGHSTOXCTJS-NSHDSACASA-N 1 0 381.376 2.376 20 5 GEBDRO CC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[NH2+]CC1 ZINC000193374062 645268769 /nfs/dbraw/zinc/26/87/69/645268769.db2.gz IBCCFQMBSOMHJD-UHFFFAOYSA-N 1 0 392.275 2.025 20 5 GEBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000194700973 645343530 /nfs/dbraw/zinc/34/35/30/645343530.db2.gz OLUAFLONDRJXHH-JTQLQIEISA-N 1 0 389.193 2.023 20 5 GEBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000236747182 645419113 /nfs/dbraw/zinc/41/91/13/645419113.db2.gz UOOFABDTWGAHNA-SNVBAGLBSA-N 1 0 380.264 2.153 20 5 GEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)[C@H](C)C[NH2+]1 ZINC000237473775 645433347 /nfs/dbraw/zinc/43/33/47/645433347.db2.gz RMBPIDUXNGJKIQ-RKDXNWHRSA-N 1 0 389.193 2.022 20 5 GEBDRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000237575875 645436708 /nfs/dbraw/zinc/43/67/08/645436708.db2.gz CPWBIWRNFWMDLT-GXSJLCMTSA-N 1 0 392.275 2.248 20 5 GEBDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000237557361 645436909 /nfs/dbraw/zinc/43/69/09/645436909.db2.gz YRWILVVJUGXTAS-BXKDBHETSA-N 1 0 392.275 2.105 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000237796466 645442031 /nfs/dbraw/zinc/44/20/31/645442031.db2.gz HVZVXBPVVVOGIL-JTQLQIEISA-N 1 0 381.376 2.282 20 5 GEBDRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261639802 645592555 /nfs/dbraw/zinc/59/25/55/645592555.db2.gz DPMUSJLZTZZAAE-UONOGXRCSA-N 1 0 381.841 2.364 20 5 GEBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000261921037 645611468 /nfs/dbraw/zinc/61/14/68/645611468.db2.gz ZKGABBCPWIONGN-DTWKUNHWSA-N 1 0 389.193 2.009 20 5 GEBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000261922311 645612558 /nfs/dbraw/zinc/61/25/58/645612558.db2.gz BTIVMRQPTKZSRK-ZDUSSCGKSA-N 1 0 399.289 2.177 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2[NH2+]CCc3ccccc32)c(Cl)c1 ZINC000262117866 645618498 /nfs/dbraw/zinc/61/84/98/645618498.db2.gz BPRRNLMSBIEQLH-OAHLLOKOSA-N 1 0 381.841 2.414 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262241962 645621709 /nfs/dbraw/zinc/62/17/09/645621709.db2.gz PEARJFIKXCOBIB-AWEZNQCLSA-N 1 0 381.841 2.414 20 5 GEBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1SC ZINC000267071275 645878856 /nfs/dbraw/zinc/87/88/56/645878856.db2.gz DRRHGBSCYQKBNJ-MRXNPFEDSA-N 1 0 385.511 2.492 20 5 GEBDRO COCC[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000267442944 645902947 /nfs/dbraw/zinc/90/29/47/645902947.db2.gz CQUWGGZDMYCRMB-UHFFFAOYSA-N 1 0 386.246 2.152 20 5 GEBDRO Cn1c(Sc2ncc(Br)cc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000268456124 645970030 /nfs/dbraw/zinc/97/00/30/645970030.db2.gz CHYHEMKPOAAHRW-QMMMGPOBSA-N 1 0 399.274 2.499 20 5 GEBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000272186549 646261335 /nfs/dbraw/zinc/26/13/35/646261335.db2.gz DTIOTSPDPGMEED-BDAKNGLRSA-N 1 0 389.193 2.009 20 5 GEBDRO C[N@@H+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1(C)C ZINC000281729148 646793188 /nfs/dbraw/zinc/79/31/88/646793188.db2.gz JCLVGWMGIQCCFD-UHFFFAOYSA-N 1 0 399.289 2.113 20 5 GEBDRO CS[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C[C@@H]1[NH+]1CCCC1 ZINC000332071296 647409834 /nfs/dbraw/zinc/40/98/34/647409834.db2.gz CIAPATSDTNQIDC-GJZGRUSLSA-N 1 0 385.511 2.104 20 5 GEBDRO CS[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C[C@H]1[NH+]1CCCC1 ZINC000332107597 647411869 /nfs/dbraw/zinc/41/18/69/647411869.db2.gz ZWGMGJZISMTYMA-HUUCEWRRSA-N 1 0 385.511 2.104 20 5 GEBDRO CS[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C[C@H]1[NH+]1CCCC1 ZINC000332107586 647411973 /nfs/dbraw/zinc/41/19/73/647411973.db2.gz ZWGMGJZISMTYMA-CABCVRRESA-N 1 0 385.511 2.104 20 5 GEBDRO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000420446678 648416988 /nfs/dbraw/zinc/41/69/88/648416988.db2.gz IBTSYNWYVYXPFB-LLVKDONJSA-N 1 0 380.264 2.009 20 5 GEBDRO C[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420471109 648419167 /nfs/dbraw/zinc/41/91/67/648419167.db2.gz AKAZNOOZXPGSGL-ZJUUUORDSA-N 1 0 381.376 2.219 20 5 GEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420471416 648419231 /nfs/dbraw/zinc/41/92/31/648419231.db2.gz AUNKUQNWJPZGFM-CYBMUJFWSA-N 1 0 379.360 2.130 20 5 GEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420471417 648419326 /nfs/dbraw/zinc/41/93/26/648419326.db2.gz AUNKUQNWJPZGFM-ZDUSSCGKSA-N 1 0 379.360 2.130 20 5 GEBDRO C[C@H]1CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000563102429 651510056 /nfs/dbraw/zinc/51/00/56/651510056.db2.gz ZGRZFVPTNJOQML-QPUJVOFHSA-N 1 0 389.193 2.009 20 5 GEBDRO O=C(NCCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1I ZINC000567922739 651639634 /nfs/dbraw/zinc/63/96/34/651639634.db2.gz NVUWOIZJNAQBME-UHFFFAOYSA-N 1 0 389.193 2.071 20 5 GEBDRO CN(c1ncc([N+](=O)[O-])cc1Br)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000610512411 651667065 /nfs/dbraw/zinc/66/70/65/651667065.db2.gz YXAGJHJKENLAFN-ZDUSSCGKSA-N 1 0 398.305 2.357 20 5 GEBDRO C[NH+](C)[C@@]1(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCSC1 ZINC000568801058 651680953 /nfs/dbraw/zinc/68/09/53/651680953.db2.gz QAFFSFQGYPEIKV-OAHLLOKOSA-N 1 0 375.397 2.363 20 5 GEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCN(C)S(C)(=O)=O ZINC000611248123 651715910 /nfs/dbraw/zinc/71/59/10/651715910.db2.gz ZENVRSWJPIVXNB-ZDUSSCGKSA-N 1 0 375.516 2.337 20 5 GEBDRO C[C@H](CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000614832474 651840332 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O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1C[NH2+]CCC1(F)F ZINC000579475237 652340901 /nfs/dbraw/zinc/34/09/01/652340901.db2.gz YISRMZDBNBQREV-LLVKDONJSA-N 1 0 378.173 2.013 20 5 GEBDRO C[C@H](CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)[S@](C)=O ZINC000580178426 652368956 /nfs/dbraw/zinc/36/89/56/652368956.db2.gz XTVVGQANQAWUAY-HOGDKLEQSA-N 1 0 396.250 2.446 20 5 GEBDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000754322005 652432916 /nfs/dbraw/zinc/43/29/16/652432916.db2.gz NYTKVEARDBKDCJ-UHFFFAOYSA-N 1 0 394.291 2.320 20 5 GEBDRO [NH3+][C@H]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000592391856 652593308 /nfs/dbraw/zinc/59/33/08/652593308.db2.gz OUXJEBYTDIULLJ-ZJUUUORDSA-N 1 0 392.275 2.153 20 5 GEBDRO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000592398735 652593646 /nfs/dbraw/zinc/59/36/46/652593646.db2.gz SCUKZPWWCJGWCQ-OAHLLOKOSA-N 1 0 381.841 2.495 20 5 GEBDRO Cc1c(Br)c(N2CCC(CO)([NH2+]CC3CC3)CC2)ncc1[N+](=O)[O-] ZINC000596267156 652756619 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C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000780868337 653634397 /nfs/dbraw/zinc/63/43/97/653634397.db2.gz SUBYISXQLQJENP-JTQLQIEISA-N 1 0 392.275 2.120 20 5 GEBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815018985 653644153 /nfs/dbraw/zinc/64/41/53/653644153.db2.gz FPIJREAPXPHBOG-JTQLQIEISA-N 1 0 379.841 2.492 20 5 GEBDRO CS[C@H]1CN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000815028982 653645796 /nfs/dbraw/zinc/64/57/96/653645796.db2.gz IJDWLSNSAPBALS-RYUDHWBXSA-N 1 0 397.881 2.053 20 5 GEBDRO CC[NH+](CC)CCOCCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815032916 653646307 /nfs/dbraw/zinc/64/63/07/653646307.db2.gz PKLANDARHSLXSJ-UHFFFAOYSA-N 1 0 397.856 2.024 20 5 GEBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000784724167 653698941 /nfs/dbraw/zinc/69/89/41/653698941.db2.gz ZFGOXMLWKXLZRP-SNVBAGLBSA-N 1 0 394.291 2.366 20 5 GEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)n1 ZINC000880218490 653700944 /nfs/dbraw/zinc/70/09/44/653700944.db2.gz NUOIOVNVSZHZGW-OTVXOJSOSA-N 1 0 381.230 2.194 20 5 GEBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCSC(C)(C)C ZINC000817288140 653707717 /nfs/dbraw/zinc/70/77/17/653707717.db2.gz HPRJEUMVFOXLNL-UHFFFAOYSA-N 1 0 375.516 2.337 20 5 GEBDRO CC[NH2+]CCCNC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841233769 653711490 /nfs/dbraw/zinc/71/14/90/653711490.db2.gz GOEGTNRDFLOKEF-UHFFFAOYSA-N 1 0 392.197 2.321 20 5 GEBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])c(I)c1)[C@@H]1CC[NH2+]C1 ZINC000841234688 653711763 /nfs/dbraw/zinc/71/17/63/653711763.db2.gz SLVFXYRLOAVUIF-SECBINFHSA-N 1 0 390.181 2.025 20 5 GEBDRO CN(CC(=O)NCC1([NH+](C)C)CC1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000841454898 653717758 /nfs/dbraw/zinc/71/77/58/653717758.db2.gz OLMQJDDJFPJYPI-UHFFFAOYSA-N 1 0 385.262 2.004 20 5 GEBDRO C[NH2+]C1(CNC(=O)c2cc([N+](=O)[O-])ccc2I)CCC1 ZINC000863923367 653722305 /nfs/dbraw/zinc/72/23/05/653722305.db2.gz PWMJWHNDWGBWBU-UHFFFAOYSA-N 1 0 389.193 2.071 20 5 GEBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841976203 653743116 /nfs/dbraw/zinc/74/31/16/653743116.db2.gz HIEFGLUQKOWOKP-QMTHXVAHSA-N 1 0 397.273 2.423 20 5 GEBDRO O=C(NCCNc1cc[nH+]cc1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000788040571 653747967 /nfs/dbraw/zinc/74/79/67/653747967.db2.gz GSBUEFMRJFWXEP-UHFFFAOYSA-N 1 0 380.202 2.408 20 5 GEBDRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842483831 653758327 /nfs/dbraw/zinc/75/83/27/653758327.db2.gz RMSAZIBRRAUYKA-GFCCVEGCSA-N 1 0 392.275 2.024 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)cc1Br ZINC000842895719 653772781 /nfs/dbraw/zinc/77/27/81/653772781.db2.gz PNTITFXMFYPTAC-SNVBAGLBSA-N 1 0 392.275 2.168 20 5 GEBDRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000883474377 653841524 /nfs/dbraw/zinc/84/15/24/653841524.db2.gz MNYKHRNOLKBBIW-LLVKDONJSA-N 1 0 392.275 2.120 20 5 GEBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 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JJKXRMAOUMKFJH-UHFFFAOYSA-N 1 0 399.289 2.348 20 5 GEBDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000867810115 653991042 /nfs/dbraw/zinc/99/10/42/653991042.db2.gz XDBDAFCRTIGOMO-JOYOIKCWSA-N 1 0 377.825 2.102 20 5 GEBDRO O=[N+]([O-])c1cccc(Br)c1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000827699297 654004519 /nfs/dbraw/zinc/00/45/19/654004519.db2.gz GRZYEPBSCOOZOH-CYBMUJFWSA-N 1 0 384.274 2.388 20 5 GEBDRO C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)[C@H](C[NH3+])C1 ZINC000850591956 654084848 /nfs/dbraw/zinc/08/48/48/654084848.db2.gz JYMMKEMGMIFZRF-KOLCDFICSA-N 1 0 392.275 2.105 20 5 GEBDRO CC[NH+]1CCC(NC(=O)COc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000902271415 654170478 /nfs/dbraw/zinc/17/04/78/654170478.db2.gz QSBGZWGNWLFPJW-UHFFFAOYSA-N 1 0 386.246 2.337 20 5 GEBDRO CCO[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C[NH+](C)C ZINC000831731684 654204195 /nfs/dbraw/zinc/20/41/95/654204195.db2.gz RJFJYTNIGUHZBN-GFCCVEGCSA-N 1 0 375.878 2.423 20 5 GEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000903593784 654266002 /nfs/dbraw/zinc/26/60/02/654266002.db2.gz VOUKFPLQAWTAQW-ZDUSSCGKSA-N 1 0 379.360 2.130 20 5 GEBDRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000904393067 654308817 /nfs/dbraw/zinc/30/88/17/654308817.db2.gz IHWNNHLEVVSYGU-LLVKDONJSA-N 1 0 387.234 2.200 20 5 GEBDRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000904393068 654308908 /nfs/dbraw/zinc/30/89/08/654308908.db2.gz IHWNNHLEVVSYGU-NSHDSACASA-N 1 0 387.234 2.200 20 5 GEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(Br)cn2)c1 ZINC000872234221 654318353 /nfs/dbraw/zinc/31/83/53/654318353.db2.gz LSILEJCWUFQXIS-AWEZNQCLSA-N 1 0 382.214 2.282 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(c3ccc(Br)cc3)CC2)c1 ZINC000872245589 654319447 /nfs/dbraw/zinc/31/94/47/654319447.db2.gz CWPJNEMGWFHDMX-HNNXBMFYSA-N 1 0 395.257 2.236 20 5 GEBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@H]1CC[NH2+]C12CCC2 ZINC000892275067 654337866 /nfs/dbraw/zinc/33/78/66/654337866.db2.gz RWMJINZUTAJNIE-ZDUSSCGKSA-N 1 0 383.246 2.441 20 5 GEBDRO O=[N+]([O-])c1cnc2cc(Br)ccc2c1N1CCC[N@@H+](CCO)CC1 ZINC000892338300 654341123 /nfs/dbraw/zinc/34/11/23/654341123.db2.gz VSHUDZVZMFYENT-UHFFFAOYSA-N 1 0 395.257 2.410 20 5 GEBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(-c2sc3c(c2Br)C[NH2+]C3)n1 ZINC000854153016 654342740 /nfs/dbraw/zinc/34/27/40/654342740.db2.gz BXRIZSJDUNEUCJ-UHFFFAOYSA-N 1 0 397.214 2.473 20 5 GEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2(n3cc(Br)cn3)CC2)cc1 ZINC000905586471 654368158 /nfs/dbraw/zinc/36/81/58/654368158.db2.gz KUVGJJJYRBNSSK-CQSZACIVSA-N 1 0 381.230 2.366 20 5 GEBDRO C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000905642317 654371534 /nfs/dbraw/zinc/37/15/34/654371534.db2.gz HHNPRDBZSSCJJB-XHDPSFHLSA-N 1 0 383.246 2.308 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CC(Cc3cccc(Br)c3)C2)c1 ZINC000905977169 654396075 /nfs/dbraw/zinc/39/60/75/654396075.db2.gz GURQMDTYORRQOM-MRXNPFEDSA-N 1 0 395.257 2.089 20 5 GEBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000926113385 654559577 /nfs/dbraw/zinc/55/95/77/654559577.db2.gz OZVOVZMZQZDDFA-GFCCVEGCSA-N 1 0 389.905 2.440 20 5 GEBDRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000933436140 654812604 /nfs/dbraw/zinc/81/26/04/654812604.db2.gz ADPJGMCIQGDALO-OAHLLOKOSA-N 1 0 383.246 2.137 20 5 GEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000933442017 654813564 /nfs/dbraw/zinc/81/35/64/654813564.db2.gz QUHFOALHZMRGGA-MRXNPFEDSA-N 1 0 397.273 2.446 20 5 GEBDRO O=[N+]([O-])c1cc(CN2CC[C@H]3[C@H]2CCC[N@H+]3CCO)ccc1Br ZINC000934266655 654841625 /nfs/dbraw/zinc/84/16/25/654841625.db2.gz UDGYPRGCQBCKEC-CABCVRRESA-N 1 0 384.274 2.388 20 5 GEBDRO O=[N+]([O-])c1cc(Br)ccc1CN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934275185 654842751 /nfs/dbraw/zinc/84/27/51/654842751.db2.gz SKHADIFPXYXYIJ-LSDHHAIUSA-N 1 0 384.274 2.388 20 5 GEBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)CC2 ZINC001164684166 719712546 /nfs/dbraw/zinc/71/25/46/719712546.db2.gz NKUYATIGLQJJON-UHFFFAOYSA-N 1 0 383.452 2.324 20 5 GEBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc([N+](=O)[O-])c(OC)n1)C2 ZINC001164810384 720086882 /nfs/dbraw/zinc/08/68/82/720086882.db2.gz LKBHMUAWCNCZCM-KXBFYZLASA-N 1 0 376.457 2.183 20 5 GEBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(OC)c([N+](=O)[O-])cn1)C2 ZINC001164809674 720102046 /nfs/dbraw/zinc/10/20/46/720102046.db2.gz IBVZDJJCAPWINX-DNVCBOLYSA-N 1 0 376.457 2.183 20 5 GEBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(OC)c([N+](=O)[O-])cn1)C2 ZINC001164809676 720104106 /nfs/dbraw/zinc/10/41/06/720104106.db2.gz IBVZDJJCAPWINX-KXBFYZLASA-N 1 0 376.457 2.183 20 5 GEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721071 720340648 /nfs/dbraw/zinc/34/06/48/720340648.db2.gz ABIZDSNLIDSHOB-SJORKVTESA-N 1 0 383.408 2.025 20 5 GEBDRO COc1cc(C)nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1[N+](=O)[O-] ZINC001164727112 720560523 /nfs/dbraw/zinc/56/05/23/720560523.db2.gz BHASKAXNXJRZNF-UHFFFAOYSA-N 1 0 386.456 2.162 20 5 GEBDRO Cc1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164737078 720666719 /nfs/dbraw/zinc/66/67/19/720666719.db2.gz CXXISUSRNQJIMZ-CHWSQXEVSA-N 1 0 390.831 2.084 20 5 GEBDRO O=[N+]([O-])c1ccc2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2c1 ZINC001164738877 720671008 /nfs/dbraw/zinc/67/10/08/720671008.db2.gz LESSYGGQGCKQQB-SJORKVTESA-N 1 0 392.419 2.275 20 5 GEBDRO O=[N+]([O-])c1cccc2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc21 ZINC001164736681 720684759 /nfs/dbraw/zinc/68/47/59/720684759.db2.gz AKPZASOTNVVSOL-HOTGVXAUSA-N 1 0 392.419 2.275 20 5 GEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737894 720729554 /nfs/dbraw/zinc/72/95/54/720729554.db2.gz DIZGMCIJJUUULC-JKSUJKDBSA-N 1 0 392.419 2.275 20 5 GEBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164746384 720746639 /nfs/dbraw/zinc/74/66/39/720746639.db2.gz XSNDYZLFGXYOEY-IRXDYDNUSA-N 1 0 392.419 2.275 20 5 GEBDRO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c([N+](=O)[O-])c1 ZINC001164747769 720811541 /nfs/dbraw/zinc/81/15/41/720811541.db2.gz PJSHCQQYYUGBJG-OKZBNKHCSA-N 1 0 397.483 2.269 20 5 GEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744808 720811586 /nfs/dbraw/zinc/81/15/86/720811586.db2.gz IPSXVOBSPNVEPR-QXAKKESOSA-N 1 0 397.483 2.269 20 5 GEBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)c(C)cc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164849274 720847613 /nfs/dbraw/zinc/84/76/13/720847613.db2.gz BWBMKNPNNQBSEE-DZGCQCFKSA-N 1 0 384.864 2.125 20 5 GEBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)c(C)cc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164849276 720847662 /nfs/dbraw/zinc/84/76/62/720847662.db2.gz BWBMKNPNNQBSEE-HIFRSBDPSA-N 1 0 384.864 2.125 20 5 GEBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C)cc(Cl)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164853707 720848137 /nfs/dbraw/zinc/84/81/37/720848137.db2.gz OQQXVQCAJFABOY-HIFRSBDPSA-N 1 0 384.864 2.125 20 5 GEBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)CC[C@H]2C1 ZINC001164858210 720848183 /nfs/dbraw/zinc/84/81/83/720848183.db2.gz ZCJYOZCWNUORQJ-LPHOPBHVSA-N 1 0 386.452 2.317 20 5 GEBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc4cccc([N+](=O)[O-])c4n3)CC[C@@H]2C1 ZINC001164851844 720852131 /nfs/dbraw/zinc/85/21/31/720852131.db2.gz IDQNWBWMSRFQIL-SJLPKXTDSA-N 1 0 386.452 2.317 20 5 GEBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)CC[C@@H]2C1 ZINC001164855495 720852519 /nfs/dbraw/zinc/85/25/19/720852519.db2.gz NBHITQSWOGZITL-DNVCBOLYSA-N 1 0 386.452 2.317 20 5 GEBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc21 ZINC001164865498 721107143 /nfs/dbraw/zinc/10/71/43/721107143.db2.gz LZPBMOIUTHMNQR-CVEARBPZSA-N 1 0 394.435 2.346 20 5 GEBDRO CCOc1nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164773409 721172148 /nfs/dbraw/zinc/17/21/48/721172148.db2.gz XDIPUFKNCWMKDH-JKSUJKDBSA-N 1 0 386.456 2.080 20 5 GEBDRO COc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164909311 721528076 /nfs/dbraw/zinc/52/80/76/721528076.db2.gz RHIKPOAVSLEBJU-HOCLYGCPSA-N 1 0 388.399 2.479 20 5 GEBDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001164920954 721849486 /nfs/dbraw/zinc/84/94/86/721849486.db2.gz MCUQBPBAQSRSAM-STQMWFEESA-N 1 0 389.834 2.403 20 5 GEBDRO Cc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164977278 722101001 /nfs/dbraw/zinc/10/10/01/722101001.db2.gz FQBUPWSUFYULQE-MJGOQNOKSA-N 1 0 383.452 2.421 20 5 GEBDRO C[NH+](C)C(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000040447280 531660538 /nfs/dbraw/zinc/66/05/38/531660538.db2.gz WIIPAMGPELQQTJ-UHFFFAOYSA-N 1 0 391.209 2.269 20 5 GEBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000097573619 531938056 /nfs/dbraw/zinc/93/80/56/531938056.db2.gz VXWLUMRGXNYSLR-LLVKDONJSA-N 1 0 392.275 2.072 20 5 GEBDRO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000124541615 532123079 /nfs/dbraw/zinc/12/30/79/532123079.db2.gz MMDRAQWJGYIPID-RNCFNFMXSA-N 1 0 392.275 2.153 20 5 GEBDRO C[NH+](C)CCn1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000175703804 532112227 /nfs/dbraw/zinc/11/22/27/532112227.db2.gz IGJHBNJLEIACFC-UHFFFAOYSA-N 1 0 382.218 2.368 20 5 GEBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000176627912 532144030 /nfs/dbraw/zinc/14/40/30/532144030.db2.gz MTLVZCXZVCGWTI-GFCCVEGCSA-N 1 0 375.878 2.352 20 5 GEBDRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000178925561 532218045 /nfs/dbraw/zinc/21/80/45/532218045.db2.gz VLMRJPKGKWISIH-VIFPVBQESA-N 1 0 381.376 2.362 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000179024308 532220815 /nfs/dbraw/zinc/22/08/15/532220815.db2.gz VFNIJUHTQBFSPK-UHFFFAOYSA-N 1 0 381.376 2.378 20 5 GEBDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000184098737 532330817 /nfs/dbraw/zinc/33/08/17/532330817.db2.gz JLQAMAIRYJXXLN-UHFFFAOYSA-N 1 0 394.291 2.223 20 5 GEBDRO COc1cc(Br)ccc1[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000190447248 532356088 /nfs/dbraw/zinc/35/60/88/532356088.db2.gz XHPXDAFXFYDBPT-GWCFXTLKSA-N 1 0 399.245 2.274 20 5 GEBDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000516141710 532380484 /nfs/dbraw/zinc/38/04/84/532380484.db2.gz NBMAIKSRMVUFSZ-XHDPSFHLSA-N 1 0 383.246 2.136 20 5 GEBDRO C[C@](O)(C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000516269185 532384924 /nfs/dbraw/zinc/38/49/24/532384924.db2.gz MNVNMNIZTGOCSW-ZDUSSCGKSA-N 1 0 376.194 2.450 20 5 GEBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000193334546 532420846 /nfs/dbraw/zinc/42/08/46/532420846.db2.gz MXXZMIQVAXUAMI-SNVBAGLBSA-N 1 0 392.275 2.038 20 5 GEBDRO CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000592382160 532453058 /nfs/dbraw/zinc/45/30/58/532453058.db2.gz KJXWPTJNKUHCSL-JOYOIKCWSA-N 1 0 381.376 2.362 20 5 GEBDRO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000236674429 532492455 /nfs/dbraw/zinc/49/24/55/532492455.db2.gz WATVTRCJCHKPJU-JTQLQIEISA-N 1 0 380.264 2.009 20 5 GEBDRO CCC(CC)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000236786361 532497364 /nfs/dbraw/zinc/49/73/64/532497364.db2.gz VLFZZNKPQTZKOV-UHFFFAOYSA-N 1 0 391.209 2.447 20 5 GEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]C1CCC(C(F)F)CC1 ZINC000282521016 532473804 /nfs/dbraw/zinc/47/38/04/532473804.db2.gz ZQJCKUYHRHHJJX-UHFFFAOYSA-N 1 0 377.413 2.287 20 5 GEBDRO C[C@H]1CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000237639862 532509791 /nfs/dbraw/zinc/50/97/91/532509791.db2.gz SSSALKVADSPMLJ-IUCAKERBSA-N 1 0 389.193 2.022 20 5 GEBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000237647007 532510107 /nfs/dbraw/zinc/51/01/07/532510107.db2.gz UOUNZFUWCNQKIV-DTWKUNHWSA-N 1 0 389.193 2.022 20 5 GEBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000237640286 532510222 /nfs/dbraw/zinc/51/02/22/532510222.db2.gz RMBPIDUXNGJKIQ-DTWKUNHWSA-N 1 0 389.193 2.022 20 5 GEBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000565002371 532541860 /nfs/dbraw/zinc/54/18/60/532541860.db2.gz FOFBMOXTYSPYPS-YUMQZZPRSA-N 1 0 377.182 2.055 20 5 GEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000564828368 532532676 /nfs/dbraw/zinc/53/26/76/532532676.db2.gz VDSLCOZBKMCCCI-UFBFGSQYSA-N 1 0 389.193 2.070 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCc3c2ccc(F)c3Br)c1 ZINC000565946594 532585211 /nfs/dbraw/zinc/58/52/11/532585211.db2.gz YFXUWNNJZFMUGY-HZMBPMFUSA-N 1 0 399.220 2.331 20 5 GEBDRO C[C@@H](Cc1ccccc1Br)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000566116494 532592580 /nfs/dbraw/zinc/59/25/80/532592580.db2.gz VTNNANYDKIVJGV-SMDDNHRTSA-N 1 0 383.246 2.136 20 5 GEBDRO CC[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000565596405 532571559 /nfs/dbraw/zinc/57/15/59/532571559.db2.gz MXGJVSULAABFHF-UHFFFAOYSA-N 1 0 391.209 2.237 20 5 GEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000375749694 532581886 /nfs/dbraw/zinc/58/18/86/532581886.db2.gz HGZMUKLTIUUFTF-CQSZACIVSA-N 1 0 381.479 2.457 20 5 GEBDRO CC(C)(C)[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(N)=O ZINC000566531590 532615491 /nfs/dbraw/zinc/61/54/91/532615491.db2.gz UYISCXCHXWOXCR-LLVKDONJSA-N 1 0 391.209 2.189 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000262794548 532602799 /nfs/dbraw/zinc/60/27/99/532602799.db2.gz OXXIQZMINVDSMX-PSASIEDQSA-N 1 0 392.275 2.085 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000566972844 532634874 /nfs/dbraw/zinc/63/48/74/532634874.db2.gz BDZKIEXPHCPHLP-YUMQZZPRSA-N 1 0 380.264 2.070 20 5 GEBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599472148 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O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CS(=O)(=O)CCO3)s2)cc1 ZINC000507822271 532760972 /nfs/dbraw/zinc/76/09/72/532760972.db2.gz HLRNOTPAEXZOBK-CQSZACIVSA-N 1 0 382.463 2.227 20 5 GEBDRO Cn1c(Sc2ncc(Br)cc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000268497248 532766982 /nfs/dbraw/zinc/76/69/82/532766982.db2.gz QRJDZOSIYASHDK-UHFFFAOYSA-N 1 0 399.274 2.499 20 5 GEBDRO COc1cc(C[NH2+]C[C@]2(O)CCSC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272401189 532815054 /nfs/dbraw/zinc/81/50/54/532815054.db2.gz JWMIRXLIFREFCD-OAHLLOKOSA-N 1 0 378.397 2.205 20 5 GEBDRO CNS(=O)(=O)c1ccc(NC[C@@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000007982563 209131437 /nfs/dbraw/zinc/13/14/37/209131437.db2.gz DBGCJUPSCKQGOF-KRWDZBQOSA-N 1 0 378.454 2.218 20 5 GEBDRO COc1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000359975174 206276159 /nfs/dbraw/zinc/27/61/59/206276159.db2.gz PZGJCKPGPSBRGT-MSOLQXFVSA-N 1 0 388.420 2.110 20 5 GEBDRO CS[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1[NH+]1CCCC1 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/nfs/dbraw/zinc/85/02/25/652850225.db2.gz XIRYYGBCHTUXHV-WDEREUQCSA-N 1 0 381.376 2.051 20 5 GEBDRO C[NH2+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2I)CCC1 ZINC000600823585 652934893 /nfs/dbraw/zinc/93/48/93/652934893.db2.gz GXWGZGIJQHXELX-UHFFFAOYSA-N 1 0 389.193 2.071 20 5 GEBDRO O=[N+]([O-])c1cccc(Br)c1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000769327647 653149092 /nfs/dbraw/zinc/14/90/92/653149092.db2.gz KJWHBEBNZAXYFB-CVEARBPZSA-N 1 0 384.274 2.388 20 5 GEBDRO O=[N+]([O-])c1cccc(Br)c1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000769327668 653149125 /nfs/dbraw/zinc/14/91/25/653149125.db2.gz KJWHBEBNZAXYFB-HZPDHXFCSA-N 1 0 384.274 2.388 20 5 GEBDRO C[NH+](C)CCCNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000806278596 653157559 /nfs/dbraw/zinc/15/75/59/653157559.db2.gz VTJCXFBDSPNDBN-UHFFFAOYSA-N 1 0 385.262 2.377 20 5 GEBDRO O=[N+]([O-])c1sc(CNCCC[NH+]2CCC(O)CC2)cc1Br ZINC000602522660 653187518 /nfs/dbraw/zinc/18/75/18/653187518.db2.gz FRLPOMWPYZKJAD-UHFFFAOYSA-N 1 0 378.292 2.355 20 5 GEBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000602597609 653193234 /nfs/dbraw/zinc/19/32/34/653193234.db2.gz VYTRMICLAZLMNZ-APPZFPTMSA-N 1 0 389.193 2.070 20 5 GEBDRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602621286 653195581 /nfs/dbraw/zinc/19/55/81/653195581.db2.gz CPVAHKFPYWJBSP-RYUDHWBXSA-N 1 0 395.275 2.329 20 5 GEBDRO C[C@@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000809968071 653315600 /nfs/dbraw/zinc/31/56/00/653315600.db2.gz MNMMWWPCPGURMZ-SNVBAGLBSA-N 1 0 375.210 2.335 20 5 GEBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000701024326 653319023 /nfs/dbraw/zinc/31/90/23/653319023.db2.gz AARHQVRGPYTALP-VIFPVBQESA-N 1 0 389.193 2.010 20 5 GEBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000701035692 653319052 /nfs/dbraw/zinc/31/90/52/653319052.db2.gz YVLAZERMEWPAEP-RKDXNWHRSA-N 1 0 389.193 2.009 20 5 GEBDRO CCN(CC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000859686251 653492280 /nfs/dbraw/zinc/49/22/80/653492280.db2.gz RERFTGMEZMDXTC-UHFFFAOYSA-N 1 0 378.170 2.012 20 5 GEBDRO CC[N@H+](CCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(C)C ZINC000780856240 653633609 /nfs/dbraw/zinc/63/36/09/653633609.db2.gz NMMAOHOBHCBVND-UHFFFAOYSA-N 1 0 394.291 2.366 20 5 GEBDRO C[NH+](C)CCn1nnnc1SCc1cccc([N+](=O)[O-])c1Br ZINC000840192188 653679379 /nfs/dbraw/zinc/67/93/79/653679379.db2.gz MKQHXCQBTNPYPJ-UHFFFAOYSA-N 1 0 387.263 2.198 20 5 GEBDRO C[C@H](CC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841233673 653711445 /nfs/dbraw/zinc/71/14/45/653711445.db2.gz CLASULAVSJOPLH-SSDOTTSWSA-N 1 0 378.170 2.058 20 5 GEBDRO C[C@H]([NH3+])CCNC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841234405 653711569 /nfs/dbraw/zinc/71/15/69/653711569.db2.gz PISWSPHUKZLBCX-ZETCQYMHSA-N 1 0 378.170 2.058 20 5 GEBDRO CC[NH2+][C@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841235335 653711894 /nfs/dbraw/zinc/71/18/94/653711894.db2.gz XWUHWLPXVDUTCH-MRVPVSSYSA-N 1 0 392.197 2.319 20 5 GEBDRO C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000842699123 653763577 /nfs/dbraw/zinc/76/35/77/653763577.db2.gz ISBBQGOLQLXZBK-VHSXEESVSA-N 1 0 392.275 2.024 20 5 GEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000842726599 653764880 /nfs/dbraw/zinc/76/48/80/653764880.db2.gz KDEPRDBDNOIPGO-NXEZZACHSA-N 1 0 392.275 2.105 20 5 GEBDRO CC[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[C@@H]1[NH3+] ZINC000842798219 653768043 /nfs/dbraw/zinc/76/80/43/653768043.db2.gz OCKBGCDKOHGMBM-CABZTGNLSA-N 1 0 392.275 2.105 20 5 GEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)C2)C1 ZINC000820342827 653772749 /nfs/dbraw/zinc/77/27/49/653772749.db2.gz OEJFFUXHKROTFL-OAHLLOKOSA-N 1 0 383.246 2.107 20 5 GEBDRO [NH3+]CCCCCCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000842920381 653773813 /nfs/dbraw/zinc/77/38/13/653773813.db2.gz RCHJRSFKOFPCNI-UHFFFAOYSA-N 1 0 380.264 2.155 20 5 GEBDRO [NH3+]CCCCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842920964 653773916 /nfs/dbraw/zinc/77/39/16/653773916.db2.gz UPRDTYPWLYFOSL-UHFFFAOYSA-N 1 0 380.264 2.155 20 5 GEBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000843042926 653777876 /nfs/dbraw/zinc/77/78/76/653777876.db2.gz XFTNYAFVGQGRCC-SFYZADRCSA-N 1 0 392.197 2.447 20 5 GEBDRO C[C@@H]1CN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000820874664 653785567 /nfs/dbraw/zinc/78/55/67/653785567.db2.gz ROJMVDCOUSJTTG-JTQLQIEISA-N 1 0 397.273 2.496 20 5 GEBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000843429031 653786707 /nfs/dbraw/zinc/78/67/07/653786707.db2.gz QDGBEDYSYBSAHL-SNVBAGLBSA-N 1 0 375.256 2.453 20 5 GEBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843475250 653787798 /nfs/dbraw/zinc/78/77/98/653787798.db2.gz HNJUTVXRWCYIQL-IUCAKERBSA-N 1 0 378.173 2.268 20 5 GEBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000883766630 653852766 /nfs/dbraw/zinc/85/27/66/653852766.db2.gz BPTQREKJMUFVMI-GSJFWJNXSA-N 1 0 385.262 2.497 20 5 GEBDRO O=[N+]([O-])c1ccc(Br)c2c1CN(C[C@@H](O)C[NH+]1CCCC1)CC2 ZINC000792913194 653855799 /nfs/dbraw/zinc/85/57/99/653855799.db2.gz MGYLAGYQQGCFAV-LBPRGKRZSA-N 1 0 384.274 2.172 20 5 GEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000867307864 653912479 /nfs/dbraw/zinc/91/24/79/653912479.db2.gz DJINPZBUDIJLJV-CABZTGNLSA-N 1 0 392.275 2.070 20 5 GEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000867307956 653912515 /nfs/dbraw/zinc/91/25/15/653912515.db2.gz FFGSOTATFKYYJT-CABZTGNLSA-N 1 0 392.275 2.070 20 5 GEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000867307958 653912565 /nfs/dbraw/zinc/91/25/65/653912565.db2.gz FFGSOTATFKYYJT-JOYOIKCWSA-N 1 0 392.275 2.070 20 5 GEBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000848025329 653955875 /nfs/dbraw/zinc/95/58/75/653955875.db2.gz RADBVHOZZLLFEN-LBPRGKRZSA-N 1 0 375.828 2.139 20 5 GEBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000885872044 653960782 /nfs/dbraw/zinc/96/07/82/653960782.db2.gz BFNNXYPADBTDRU-ZDUSSCGKSA-N 1 0 398.257 2.340 20 5 GEBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ncc1Br ZINC000848352539 653971780 /nfs/dbraw/zinc/97/17/80/653971780.db2.gz QOCLOFDDSPCVEF-STQMWFEESA-N 1 0 383.246 2.499 20 5 GEBDRO CN(CCC[N@H+](C)Cc1ccncc1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000886425152 653984794 /nfs/dbraw/zinc/98/47/94/653984794.db2.gz UNQNZQBORNCJME-UHFFFAOYSA-N 1 0 384.483 2.194 20 5 GEBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000867810105 653991001 /nfs/dbraw/zinc/99/10/01/653991001.db2.gz WYMGDUOYHVJVEH-BXKDBHETSA-N 1 0 377.825 2.102 20 5 GEBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000867810113 653991116 /nfs/dbraw/zinc/99/11/16/653991116.db2.gz XDBDAFCRTIGOMO-BXKDBHETSA-N 1 0 377.825 2.102 20 5 GEBDRO C[C@@H](CC[NH+](C)C)NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796434629 653997811 /nfs/dbraw/zinc/99/78/11/653997811.db2.gz NVDZTEORPMMDHK-NSHDSACASA-N 1 0 387.278 2.250 20 5 GEBDRO C[C@@H]1C[C@H](NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000796640544 654002781 /nfs/dbraw/zinc/00/27/81/654002781.db2.gz SCAUNXSULBZLIX-DGCLKSJQSA-N 1 0 399.289 2.392 20 5 GEBDRO C[N@@H+]1CCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CCC1(C)C ZINC000828299581 654032372 /nfs/dbraw/zinc/03/23/72/654032372.db2.gz DZMQSSVEVMKRLB-UHFFFAOYSA-N 1 0 385.262 2.496 20 5 GEBDRO Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H](C)[NH+](C)C ZINC000849429488 654032678 /nfs/dbraw/zinc/03/26/78/654032678.db2.gz RMPMRXGDGAUJPM-SNVBAGLBSA-N 1 0 394.291 2.284 20 5 GEBDRO Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H](C)[NH+](C)C ZINC000849429487 654032769 /nfs/dbraw/zinc/03/27/69/654032769.db2.gz RMPMRXGDGAUJPM-JTQLQIEISA-N 1 0 394.291 2.284 20 5 GEBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000828958483 654056289 /nfs/dbraw/zinc/05/62/89/654056289.db2.gz FWICJINKIWLMNI-NEPJUHHUSA-N 1 0 383.246 2.248 20 5 GEBDRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000850593731 654085216 /nfs/dbraw/zinc/08/52/16/654085216.db2.gz YXFUXEULLDBHQV-SNVBAGLBSA-N 1 0 380.264 2.009 20 5 GEBDRO C[NH+](C)CCn1ccc(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000919103291 654170472 /nfs/dbraw/zinc/17/04/72/654170472.db2.gz HTOFBLZSOFOKSV-UHFFFAOYSA-N 1 0 396.245 2.045 20 5 GEBDRO CC[NH+]1CCC(NC(=O)COc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000902299268 654172217 /nfs/dbraw/zinc/17/22/17/654172217.db2.gz ZTXWMRUPUJZQEQ-UHFFFAOYSA-N 1 0 386.246 2.337 20 5 GEBDRO CCO[C@@H](CNC(=O)c1sc(Br)cc1[N+](=O)[O-])C[NH+](C)C ZINC000831725284 654203601 /nfs/dbraw/zinc/20/36/01/654203601.db2.gz XQFOJPYQKVMMBC-QMMMGPOBSA-N 1 0 380.264 2.115 20 5 GEBDRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000802878632 654249530 /nfs/dbraw/zinc/24/95/30/654249530.db2.gz XYOQWKSLKMKRLB-VXGBXAGGSA-N 1 0 399.289 2.345 20 5 GEBDRO CN(CC(=O)N1CC[N@H+](C)CC1(C)C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000802956754 654252624 /nfs/dbraw/zinc/25/26/24/654252624.db2.gz JKDBSQPQPBBQND-UHFFFAOYSA-N 1 0 399.289 2.346 20 5 GEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(Br)cn2)c1 ZINC000872234222 654318478 /nfs/dbraw/zinc/31/84/78/654318478.db2.gz LSILEJCWUFQXIS-CQSZACIVSA-N 1 0 382.214 2.282 20 5 GEBDRO C[NH+]1CCC2(CCN2S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000907856322 654583886 /nfs/dbraw/zinc/58/38/86/654583886.db2.gz SFDXYGCSSBYCAI-UHFFFAOYSA-N 1 0 377.825 2.246 20 5 GEBDRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000908029424 654598290 /nfs/dbraw/zinc/59/82/90/654598290.db2.gz JOFIINYJHFZCHB-VIFPVBQESA-N 1 0 391.230 2.160 20 5 GEBDRO O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000908201950 654612997 /nfs/dbraw/zinc/61/29/97/654612997.db2.gz NNDGMTFULYRSBP-BDAKNGLRSA-N 1 0 392.214 2.322 20 5 GEBDRO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)CC[N@@H+]1C ZINC000928437246 654647031 /nfs/dbraw/zinc/64/70/31/654647031.db2.gz BTGCZAKJVNVIFM-PELKAZGASA-N 1 0 389.193 2.022 20 5 GEBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000931962188 654762650 /nfs/dbraw/zinc/76/26/50/654762650.db2.gz PRXKBCRDVVRMHL-UHFFFAOYSA-N 1 0 385.262 2.353 20 5 GEBDRO O=[N+]([O-])c1cccc(CN2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1Br ZINC000934276646 654842745 /nfs/dbraw/zinc/84/27/45/654842745.db2.gz ZGCGIQYCRSAUIU-UONOGXRCSA-N 1 0 384.274 2.388 20 5 GEBDRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC001164614016 719023440 /nfs/dbraw/zinc/02/34/40/719023440.db2.gz KVRMVAWZIQZQMD-UHFFFAOYSA-N 1 0 380.420 2.373 20 5 GEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164682898 719609306 /nfs/dbraw/zinc/60/93/06/719609306.db2.gz GHUMAJVXVHAFIQ-UHFFFAOYSA-N 1 0 379.852 2.018 20 5 GEBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])C2 ZINC001164811747 720136968 /nfs/dbraw/zinc/13/69/68/720136968.db2.gz NDONITVJKOCPBM-KSSFIOAISA-N 1 0 396.875 2.066 20 5 GEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164729495 720482382 /nfs/dbraw/zinc/48/23/82/720482382.db2.gz RFCALSNDDOCCBN-CVEARBPZSA-N 1 0 383.408 2.025 20 5 GEBDRO Cc1ncc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164833774 720534491 /nfs/dbraw/zinc/53/44/91/720534491.db2.gz BOBUVTKLMNOLHM-IXDOHACOSA-N 1 0 385.472 2.268 20 5 GEBDRO Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)ncc1[N+](=O)[O-] ZINC001164841543 720633120 /nfs/dbraw/zinc/63/31/20/720633120.db2.gz SSBRTWMWXCDLQU-BRWVUGGUSA-N 1 0 385.472 2.268 20 5 GEBDRO Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)ncc1[N+](=O)[O-] ZINC001164841545 720634162 /nfs/dbraw/zinc/63/41/62/720634162.db2.gz SSBRTWMWXCDLQU-IXDOHACOSA-N 1 0 385.472 2.268 20 5 GEBDRO O=[N+]([O-])c1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc2[nH]ccc21 ZINC001164867699 721116211 /nfs/dbraw/zinc/11/62/11/721116211.db2.gz ZPIHOCATUASVIL-HZPDHXFCSA-N 1 0 394.435 2.346 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc([N+](=O)[O-])c5cc[nH]c5n4)C[C@@H]3C2)cn1 ZINC001164771831 721169308 /nfs/dbraw/zinc/16/93/08/721169308.db2.gz RCESHAQWMWMFDE-GJZGRUSLSA-N 1 0 381.440 2.163 20 5 GEBDRO Cc1nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ccc1[N+](=O)[O-] ZINC001164893635 721383231 /nfs/dbraw/zinc/38/32/31/721383231.db2.gz WJJRSKLYXWRBPP-PXNSSMCTSA-N 1 0 389.500 2.064 20 5 GEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164894114 721383533 /nfs/dbraw/zinc/38/35/33/721383533.db2.gz XTCAJQJVQUHZDS-AZUAARDMSA-N 1 0 389.500 2.064 20 5 GEBDRO COc1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164904634 721530327 /nfs/dbraw/zinc/53/03/27/721530327.db2.gz FUUAQAMSAZEPIS-PBHICJAKSA-N 1 0 388.399 2.479 20 5 GEBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])C[C@@H]21 ZINC001165027671 721800678 /nfs/dbraw/zinc/80/06/78/721800678.db2.gz XFMWWIWENSCMGL-ZYSHUDEJSA-N 1 0 383.452 2.360 20 5 GEBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc([N+](=O)[O-])cc[n+]4[O-])CC3)C2)cc1 ZINC001164937576 721920923 /nfs/dbraw/zinc/92/09/23/721920923.db2.gz DCCMTYGHOUUZPP-UHFFFAOYSA-N 1 0 398.463 2.408 20 5 GEBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(F)c1 ZINC001164982548 722110308 /nfs/dbraw/zinc/11/03/08/722110308.db2.gz WZROOKZCQFBGHA-YJBOKZPZSA-N 1 0 387.415 2.251 20 5 GEBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000154745507 531631832 /nfs/dbraw/zinc/63/18/32/531631832.db2.gz CAVVEDFMTPIMGE-NSHDSACASA-N 1 0 389.193 2.023 20 5 GEBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000097573620 531937830 /nfs/dbraw/zinc/93/78/30/531937830.db2.gz VXWLUMRGXNYSLR-NSHDSACASA-N 1 0 392.275 2.072 20 5 GEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121329611 532023260 /nfs/dbraw/zinc/02/32/60/532023260.db2.gz GSMLAURODLEUHU-GFCCVEGCSA-N 1 0 386.246 2.198 20 5 GEBDRO CS(=O)(=O)CCOCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000174513044 532067903 /nfs/dbraw/zinc/06/79/03/532067903.db2.gz XOWTYHOZROPABF-UHFFFAOYSA-N 1 0 384.479 2.474 20 5 GEBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CCOCC1 ZINC000122761107 532082304 /nfs/dbraw/zinc/08/23/04/532082304.db2.gz OBMLIUFJCLFUPF-UHFFFAOYSA-N 1 0 386.246 2.198 20 5 GEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000123026370 532091037 /nfs/dbraw/zinc/09/10/37/532091037.db2.gz GZFATIVHQMBIFX-NOZJJQNGSA-N 1 0 392.275 2.248 20 5 GEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[NH+](CC2CC2)CC1 ZINC000123728623 532106448 /nfs/dbraw/zinc/10/64/48/532106448.db2.gz IHONZUQMWOONHJ-UHFFFAOYSA-N 1 0 382.258 2.454 20 5 GEBDRO C[NH+](C)C1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000177146407 532162179 /nfs/dbraw/zinc/16/21/79/532162179.db2.gz QAPFOCOMWLRPQM-UHFFFAOYSA-N 1 0 399.289 2.113 20 5 GEBDRO CC[NH+]1CCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000180528925 532274185 /nfs/dbraw/zinc/27/41/85/532274185.db2.gz GQBFBXVZFXKMCA-UHFFFAOYSA-N 1 0 399.289 2.115 20 5 GEBDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000185229205 532337287 /nfs/dbraw/zinc/33/72/87/532337287.db2.gz UIJUVWGMOMWBRL-UHFFFAOYSA-N 1 0 392.275 2.072 20 5 GEBDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000185230072 532337431 /nfs/dbraw/zinc/33/74/31/532337431.db2.gz LOCNVIYWNWJPDI-UHFFFAOYSA-N 1 0 392.275 2.072 20 5 GEBDRO CN1C[C@@H]2CCCN(c3c(I)cncc3[N+](=O)[O-])[C@@H]2C1 ZINC000425285451 532380656 /nfs/dbraw/zinc/38/06/56/532380656.db2.gz OKYDQKPGJNXYLD-JOYOIKCWSA-N 1 0 388.209 2.125 20 5 GEBDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000516141708 532381394 /nfs/dbraw/zinc/38/13/94/532381394.db2.gz NBMAIKSRMVUFSZ-IAQYHMDHSA-N 1 0 383.246 2.136 20 5 GEBDRO Cc1c(NC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000591304624 532406221 /nfs/dbraw/zinc/40/62/21/532406221.db2.gz LMOSZAQPGCSRMR-ZANVPECISA-N 1 0 387.234 2.246 20 5 GEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCN([C@H]3CCSC3)CC2)c1[N+](=O)[O-] ZINC000372775237 532408510 /nfs/dbraw/zinc/40/85/10/532408510.db2.gz FUELANZMUBEDML-AWEZNQCLSA-N 1 0 385.511 2.023 20 5 GEBDRO CCn1ccnc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000295266212 532426943 /nfs/dbraw/zinc/42/69/43/532426943.db2.gz DNSLVJJDMFXSAG-UHFFFAOYSA-N 1 0 389.231 2.052 20 5 GEBDRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000592370540 532452177 /nfs/dbraw/zinc/45/21/77/532452177.db2.gz NPTZYIRALCRSGD-ZJUUUORDSA-N 1 0 381.376 2.362 20 5 GEBDRO CC[C@@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592382712 532452838 /nfs/dbraw/zinc/45/28/38/532452838.db2.gz WIMMHGZRLOYEJL-RNCFNFMXSA-N 1 0 392.275 2.105 20 5 GEBDRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000594472061 532509248 /nfs/dbraw/zinc/50/92/48/532509248.db2.gz UJXQJNGYGLXLKK-JGZJWPJOSA-N 1 0 381.376 2.232 20 5 GEBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000237639890 532509618 /nfs/dbraw/zinc/50/96/18/532509618.db2.gz SSSALKVADSPMLJ-DTWKUNHWSA-N 1 0 389.193 2.022 20 5 GEBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000238003971 532515611 /nfs/dbraw/zinc/51/56/11/532515611.db2.gz CTINQUWNUBAVPY-UFBFGSQYSA-N 1 0 389.193 2.057 20 5 GEBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000238065013 532516769 /nfs/dbraw/zinc/51/67/69/532516769.db2.gz GENHKUVQDARCSK-VIFPVBQESA-N 1 0 389.193 2.010 20 5 GEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000430603203 532502031 /nfs/dbraw/zinc/50/20/31/532502031.db2.gz NELSUEFWFZUNPH-YGRLFVJLSA-N 1 0 385.262 2.498 20 5 GEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000375048771 532530303 /nfs/dbraw/zinc/53/03/03/532530303.db2.gz ZSEDUOARTYXKTK-WCQYABFASA-N 1 0 398.257 2.259 20 5 GEBDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000595353614 532559740 /nfs/dbraw/zinc/55/97/40/532559740.db2.gz IQDLMNYKYAKDQL-NSHDSACASA-N 1 0 381.376 2.376 20 5 GEBDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000595353751 532560155 /nfs/dbraw/zinc/56/01/55/532560155.db2.gz KBGHYBVMDGMYQJ-NSHDSACASA-N 1 0 392.275 2.120 20 5 GEBDRO CCc1ccc(S(=O)(=O)NCC2(SC)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000565889746 532582890 /nfs/dbraw/zinc/58/28/90/532582890.db2.gz UVUBYJCHPDZJFD-UHFFFAOYSA-N 1 0 387.527 2.263 20 5 GEBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2I)CCCC1 ZINC000595940841 532579883 /nfs/dbraw/zinc/57/98/83/532579883.db2.gz IVKATDGCLLHBGB-UHFFFAOYSA-N 1 0 389.193 2.201 20 5 GEBDRO Cc1c(Br)c(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ncc1[N+](=O)[O-] ZINC000596538428 532597301 /nfs/dbraw/zinc/59/73/01/532597301.db2.gz KRRWWZHJDCNMAM-GFCCVEGCSA-N 1 0 385.262 2.096 20 5 GEBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000603401219 532693663 /nfs/dbraw/zinc/69/36/63/532693663.db2.gz JOQOESMSZKRLBN-NSHDSACASA-N 1 0 385.262 2.442 20 5 GEBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000492253672 532712636 /nfs/dbraw/zinc/71/26/36/532712636.db2.gz QIEYEMKCZBLGDF-LLVKDONJSA-N 1 0 385.262 2.357 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000440417175 532712801 /nfs/dbraw/zinc/71/28/01/532712801.db2.gz XLARXASTAZNCTF-SNVBAGLBSA-N 1 0 392.275 2.025 20 5 GEBDRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440411406 532713494 /nfs/dbraw/zinc/71/34/94/532713494.db2.gz ZNFOBOJLBSJBER-JOYOIKCWSA-N 1 0 392.275 2.153 20 5 GEBDRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440427925 532714492 /nfs/dbraw/zinc/71/44/92/532714492.db2.gz OVFWPOCDCJAYNJ-CYBMUJFWSA-N 1 0 394.291 2.399 20 5 GEBDRO C[C@]1(CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000440861995 532723645 /nfs/dbraw/zinc/72/36/45/532723645.db2.gz NGWQNNBFUCRMKH-ZDUSSCGKSA-N 1 0 392.275 2.025 20 5 GEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000286127147 532729297 /nfs/dbraw/zinc/72/92/97/532729297.db2.gz WDHHYRLXQBXSAB-CABZTGNLSA-N 1 0 379.841 2.348 20 5 GEBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000577049720 532730501 /nfs/dbraw/zinc/73/05/01/532730501.db2.gz YDOLWJQUUBSUAW-SWLSCSKDSA-N 1 0 385.262 2.475 20 5 GEBDRO Cc1cc(Br)ccc1C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000444689864 532751326 /nfs/dbraw/zinc/75/13/26/532751326.db2.gz HRDALLDMXUAWOE-HNNXBMFYSA-N 1 0 383.246 2.355 20 5 GEBDRO CS[C@H]1CN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000330598276 532821807 /nfs/dbraw/zinc/82/18/07/532821807.db2.gz WPNZSXAWIZBTSD-KGLIPLIRSA-N 1 0 393.918 2.223 20 5 GEBDRO C[C@H]1C[NH+](CC2CCN(C(=O)COc3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000359943372 206272821 /nfs/dbraw/zinc/27/28/21/206272821.db2.gz ZRKXAEQKEPYVGH-HOTGVXAUSA-N 1 0 391.468 2.321 20 5 GEBDRO Cn1cc([C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c2ccccc2)cn1 ZINC000359959196 206273523 /nfs/dbraw/zinc/27/35/23/206273523.db2.gz LWQMUAUJAGPPIO-AZUAARDMSA-N 1 0 382.420 2.447 20 5 GEBDRO Cn1cc([C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c2ccccc2)cn1 ZINC000359959200 206273651 /nfs/dbraw/zinc/27/36/51/206273651.db2.gz LWQMUAUJAGPPIO-QUCCMNQESA-N 1 0 382.420 2.447 20 5 GEBDRO Cn1cc(CC[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)cn1 ZINC000289996053 532869221 /nfs/dbraw/zinc/86/92/21/532869221.db2.gz SRAJUGRMKKOWCJ-UHFFFAOYSA-N 1 0 386.193 2.265 20 5 GEBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2I)CC1 ZINC000416302046 532870156 /nfs/dbraw/zinc/87/01/56/532870156.db2.gz MYGJGCYARZYGDX-UHFFFAOYSA-N 1 0 389.193 2.023 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)s1 ZINC000420458063 532883896 /nfs/dbraw/zinc/88/38/96/532883896.db2.gz IJWSKGGIPUBZCI-CHWSQXEVSA-N 1 0 385.442 2.219 20 5 GEBDRO CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000420455110 532883884 /nfs/dbraw/zinc/88/38/84/532883884.db2.gz XEGSOOGLJBHDJP-NSHDSACASA-N 1 0 380.264 2.009 20 5 GEBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000367492578 532925786 /nfs/dbraw/zinc/92/57/86/532925786.db2.gz IQLDJCKJEJEOFX-JSGCOSHPSA-N 1 0 399.245 2.342 20 5 GEBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1I)C[NH+](C)C ZINC000294450645 532939648 /nfs/dbraw/zinc/93/96/48/532939648.db2.gz ZQKMLLGLPFELFZ-VIFPVBQESA-N 1 0 391.209 2.127 20 5 GEBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736204943 598498789 /nfs/dbraw/zinc/49/87/89/598498789.db2.gz UNNSPAKOIATMQY-JSGCOSHPSA-N 1 0 380.412 2.417 20 5 GEBDRO C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000820410012 599385967 /nfs/dbraw/zinc/38/59/67/599385967.db2.gz BXRQFZNEKFVHBA-VXGBXAGGSA-N 1 0 381.396 2.453 20 5 GEBDRO O=[N+]([O-])c1cnc(NCc2ccccc2C[NH+]2CCCC2)c(-c2nn[nH]n2)c1 ZINC000823651991 599432430 /nfs/dbraw/zinc/43/24/30/599432430.db2.gz VCEBIXCOUPQWRD-UHFFFAOYSA-N 1 0 380.412 2.378 20 5 GEBDRO CC[N@@H+]1CCC[C@@H]1CN(C)c1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821266662 606141933 /nfs/dbraw/zinc/14/19/33/606141933.db2.gz GBEGTCXUERDWEE-CYBMUJFWSA-N 1 0 382.428 2.244 20 5 GEBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820751705 606805724 /nfs/dbraw/zinc/80/57/24/606805724.db2.gz HQYYVGUUUWWKRB-BDJLRTHQSA-N 1 0 382.428 2.464 20 5 GEBDRO C[C@H]([NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000820414368 607047870 /nfs/dbraw/zinc/04/78/70/607047870.db2.gz YDPZNLJMUMDBQM-ZDUSSCGKSA-N 1 0 394.439 2.490 20 5 GEBDRO CCc1ccc([C@H](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000821480777 607162366 /nfs/dbraw/zinc/16/23/66/607162366.db2.gz FAFWGXGWJHKNJA-HNNXBMFYSA-N 1 0 382.428 2.447 20 5 GEBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000823624769 607167804 /nfs/dbraw/zinc/16/78/04/607167804.db2.gz IVRXROVMGVYKLI-UHFFFAOYSA-N 1 0 380.412 2.030 20 5 GEBDRO COc1ccc(C[C@@](C)([NH3+])CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1 ZINC000826190859 607838148 /nfs/dbraw/zinc/83/81/48/607838148.db2.gz PKGJYDGADHBATF-GOSISDBHSA-N 1 0 383.412 2.156 20 5 GEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826304683 608460276 /nfs/dbraw/zinc/46/02/76/608460276.db2.gz ULSWPEGNOLZOJU-LBPRGKRZSA-N 1 0 381.396 2.373 20 5 GEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826272283 608464583 /nfs/dbraw/zinc/46/45/83/608464583.db2.gz CBPSMSPFDMJDNR-GFCCVEGCSA-N 1 0 381.396 2.373 20 5 GEBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000824586012 608468417 /nfs/dbraw/zinc/46/84/17/608468417.db2.gz WHGYKMVDYQQPOH-LBPRGKRZSA-N 1 0 381.396 2.454 20 5 GEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000826498399 608509485 /nfs/dbraw/zinc/50/94/85/608509485.db2.gz SOMSJWDFRZCICW-ROUUACIJSA-N 1 0 380.408 2.476 20 5 GEBDRO CC[C@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825143962 608552214 /nfs/dbraw/zinc/55/22/14/608552214.db2.gz XCEQLDYBAWUFAG-KRWDZBQOSA-N 1 0 395.423 2.132 20 5 GEBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447013725 649994237 /nfs/dbraw/zinc/99/42/37/649994237.db2.gz QKTWSLODKQLQLG-SNVBAGLBSA-N 1 0 394.291 2.366 20 5 GEBDRO CSCC1CCC([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000449097430 650031519 /nfs/dbraw/zinc/03/15/19/650031519.db2.gz DGSBNPCNMUKEKJ-UHFFFAOYSA-N 1 0 387.527 2.385 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)c1 ZINC000451576096 650127002 /nfs/dbraw/zinc/12/70/02/650127002.db2.gz ZKPIOSMFKRMMGP-CJNGLKHVSA-N 1 0 395.257 2.404 20 5 GEBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000462500530 650482077 /nfs/dbraw/zinc/48/20/77/650482077.db2.gz LAKXNENNNKMFPV-KOLCDFICSA-N 1 0 392.275 2.118 20 5 GEBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000535022152 650783146 /nfs/dbraw/zinc/78/31/46/650783146.db2.gz BBKGOCNKTWESTC-VIFPVBQESA-N 1 0 391.209 2.269 20 5 GEBDRO C[NH+](C)[C@H]1CCCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000057838583 642818838 /nfs/dbraw/zinc/81/88/38/642818838.db2.gz YEOPZUPCYJPEIU-JTQLQIEISA-N 1 0 381.376 2.419 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc(Cl)s2)cc1 ZINC000067450532 642968652 /nfs/dbraw/zinc/96/86/52/642968652.db2.gz HMXQZUTYUWBVMP-UHFFFAOYSA-N 1 0 375.859 2.378 20 5 GEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCN2CCCS2(=O)=O)s1 ZINC000105473426 643207048 /nfs/dbraw/zinc/20/70/48/643207048.db2.gz IKOFDLWRKYVMLW-UHFFFAOYSA-N 1 0 381.479 2.448 20 5 GEBDRO C[NH+](C)[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000109810859 643301388 /nfs/dbraw/zinc/30/13/88/643301388.db2.gz MOLMZZGDAITDSM-GFCCVEGCSA-N 1 0 385.262 2.322 20 5 GEBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000124076115 643680700 /nfs/dbraw/zinc/68/07/00/643680700.db2.gz VTBAXNARJOLBTG-UHFFFAOYSA-N 1 0 380.264 2.153 20 5 GEBDRO C[C@H](CSC(C)(C)C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162108171 644232635 /nfs/dbraw/zinc/23/26/35/644232635.db2.gz ZKRBDNIWOODIRR-GFCCVEGCSA-N 1 0 375.516 2.383 20 5 GEBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000193723154 645293754 /nfs/dbraw/zinc/29/37/54/645293754.db2.gz RJHHKPBWPIOYKL-SNVBAGLBSA-N 1 0 392.275 2.120 20 5 GEBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000236745333 645418624 /nfs/dbraw/zinc/41/86/24/645418624.db2.gz AALXQSMCBRJMMC-SNVBAGLBSA-N 1 0 380.264 2.153 20 5 GEBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000236819851 645419011 /nfs/dbraw/zinc/41/90/11/645419011.db2.gz OSHVTIJUUXPACW-UHFFFAOYSA-N 1 0 380.264 2.153 20 5 GEBDRO [NH3+]C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000237859758 645446453 /nfs/dbraw/zinc/44/64/53/645446453.db2.gz GENHKUVQDARCSK-SECBINFHSA-N 1 0 389.193 2.010 20 5 GEBDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000261953003 645613946 /nfs/dbraw/zinc/61/39/46/645613946.db2.gz GGJXPEGCERVWJJ-AWEZNQCLSA-N 1 0 380.246 2.237 20 5 GEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262309038 645626207 /nfs/dbraw/zinc/62/62/07/645626207.db2.gz OUSZNDBOLLNWQE-CQSZACIVSA-N 1 0 381.841 2.414 20 5 GEBDRO C[NH+](C)[C@@]1(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCSC1 ZINC000279312871 646589951 /nfs/dbraw/zinc/58/99/51/646589951.db2.gz OLCHLWCICXKDMK-OAHLLOKOSA-N 1 0 375.853 2.483 20 5 GEBDRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2O1 ZINC000363885838 647610182 /nfs/dbraw/zinc/61/01/82/647610182.db2.gz AHCPVDAVNKIQFI-LLVKDONJSA-N 1 0 383.451 2.174 20 5 GEBDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000377882836 647871283 /nfs/dbraw/zinc/87/12/83/647871283.db2.gz GZKQHNROJBJVPA-ZANVPECISA-N 1 0 377.825 2.102 20 5 GEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)[C@H]2C1 ZINC000378492942 647883051 /nfs/dbraw/zinc/88/30/51/647883051.db2.gz HZRKBTUANMKQTB-ABAIWWIYSA-N 1 0 382.258 2.452 20 5 GEBDRO C[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C[NH3+] ZINC000420378571 648414996 /nfs/dbraw/zinc/41/49/96/648414996.db2.gz MEEUABGATVDNGQ-MNOVXSKESA-N 1 0 385.262 2.213 20 5 GEBDRO C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)CC[N@@H+]1C ZINC000719385455 651476043 /nfs/dbraw/zinc/47/60/43/651476043.db2.gz HCUURWVLRLGADB-QPUJVOFHSA-N 1 0 389.193 2.022 20 5 GEBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000608783471 651607524 /nfs/dbraw/zinc/60/75/24/651607524.db2.gz KKGVJPYXICXJAX-SECBINFHSA-N 1 0 389.193 2.023 20 5 GEBDRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000567683832 651634356 /nfs/dbraw/zinc/63/43/56/651634356.db2.gz YQYDOPFMOFJKAS-WWDXNRJTSA-N 1 0 388.511 2.038 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCc3cc(Br)ccc32)c1 ZINC000610335988 651656979 /nfs/dbraw/zinc/65/69/79/651656979.db2.gz AGUNAADLARXZHS-UKRRQHHQSA-N 1 0 381.230 2.192 20 5 GEBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[N@@H+]1C ZINC000742309056 651978178 /nfs/dbraw/zinc/97/81/78/651978178.db2.gz KHXKXOVNRPQLEP-UWVGGRQHSA-N 1 0 392.275 2.118 20 5 GEBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[N@@H+]1C ZINC000742309055 651978221 /nfs/dbraw/zinc/97/82/21/651978221.db2.gz KHXKXOVNRPQLEP-NXEZZACHSA-N 1 0 392.275 2.118 20 5 GEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000576822217 652145942 /nfs/dbraw/zinc/14/59/42/652145942.db2.gz BYJVFFANIXFXAR-SNVBAGLBSA-N 1 0 381.376 2.282 20 5 GEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000576822839 652146315 /nfs/dbraw/zinc/14/63/15/652146315.db2.gz COIGAPGKRLVOGI-SCDSUCTJSA-N 1 0 397.273 2.355 20 5 GEBDRO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000577750403 652212908 /nfs/dbraw/zinc/21/29/08/652212908.db2.gz BYECVRLQGRUARS-HNNXBMFYSA-N 1 0 381.841 2.495 20 5 GEBDRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000580073383 652365877 /nfs/dbraw/zinc/36/58/77/652365877.db2.gz IVMQAWQDYUUCRZ-GXSJLCMTSA-N 1 0 381.376 2.409 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CSc3ccc(Br)cc32)c1 ZINC000582541386 652454647 /nfs/dbraw/zinc/45/46/47/652454647.db2.gz ASDCKMAEIKQZTH-YPMHNXCESA-N 1 0 399.270 2.351 20 5 GEBDRO [NH3+]CCC1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000593729954 652633729 /nfs/dbraw/zinc/63/37/29/652633729.db2.gz KXOWKRKFBJRZMM-UHFFFAOYSA-N 1 0 392.275 2.107 20 5 GEBDRO CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000599101443 652849591 /nfs/dbraw/zinc/84/95/91/652849591.db2.gz JTHVHOCQGAHICN-GFCCVEGCSA-N 1 0 381.376 2.232 20 5 GEBDRO Cc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000599102234 652849722 /nfs/dbraw/zinc/84/97/22/652849722.db2.gz PTWCEXOHHYXGOO-JQWIXIFHSA-N 1 0 381.376 2.051 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599103376 652850229 /nfs/dbraw/zinc/85/02/29/652850229.db2.gz IEHRHWOVSJTJHE-WCBMZHEXSA-N 1 0 392.275 2.085 20 5 GEBDRO CC1([NH+]2CCOCC2)CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000599160630 652851661 /nfs/dbraw/zinc/85/16/61/652851661.db2.gz PNDQBOMUXAJNCY-UHFFFAOYSA-N 1 0 385.262 2.443 20 5 GEBDRO CS[C@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000599721711 652885300 /nfs/dbraw/zinc/88/53/00/652885300.db2.gz QEFRMWRCOHZLDM-NEPJUHHUSA-N 1 0 388.287 2.475 20 5 GEBDRO CS[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C[C@H]1[NH+](C)C ZINC000767315370 652919734 /nfs/dbraw/zinc/91/97/34/652919734.db2.gz NSPHJUSIXNVJER-CHWSQXEVSA-N 1 0 393.918 2.223 20 5 GEBDRO Cc1cc(S(=O)(=O)N2CCC(OCCC[NH+](C)C)CC2)c([N+](=O)[O-])s1 ZINC000601364842 653088490 /nfs/dbraw/zinc/08/84/90/653088490.db2.gz NHEIGFXIGYCUQC-UHFFFAOYSA-N 1 0 391.515 2.086 20 5 GEBDRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000768859587 653132493 /nfs/dbraw/zinc/13/24/93/653132493.db2.gz YDDYFATZLXXMCX-NSHDSACASA-N 1 0 383.451 2.174 20 5 GEBDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000771959612 653134860 /nfs/dbraw/zinc/13/48/60/653134860.db2.gz ISEODXHQKIQHOS-NSHDSACASA-N 1 0 392.275 2.072 20 5 GEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccnc(Cl)c1 ZINC000773005191 653176273 /nfs/dbraw/zinc/17/62/73/653176273.db2.gz ADJSOADYDSZNAA-NSHDSACASA-N 1 0 384.845 2.272 20 5 GEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000769909103 653189315 /nfs/dbraw/zinc/18/93/15/653189315.db2.gz SSHIACIPNCNKCD-CQSZACIVSA-N 1 0 393.918 2.272 20 5 GEBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000602542915 653189544 /nfs/dbraw/zinc/18/95/44/653189544.db2.gz AWJPWHXHIJHFAX-NWDGAFQWSA-N 1 0 389.193 2.070 20 5 GEBDRO C[C@@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)C[NH2+]1 ZINC000602555523 653190703 /nfs/dbraw/zinc/19/07/03/653190703.db2.gz RGFOWURPGAFXNK-BDAKNGLRSA-N 1 0 389.193 2.070 20 5 GEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000602838735 653209351 /nfs/dbraw/zinc/20/93/51/653209351.db2.gz HHSZHDGYGTVBFP-CYBMUJFWSA-N 1 0 387.209 2.325 20 5 GEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](Oc3cncc(Br)c3)C2)c1 ZINC000602885587 653212452 /nfs/dbraw/zinc/21/24/52/653212452.db2.gz GEXRHBVZYSGABF-ZDUSSCGKSA-N 1 0 382.218 2.102 20 5 GEBDRO CN(CCC[NH+]1CCN(C)CC1)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000809743230 653292542 /nfs/dbraw/zinc/29/25/42/653292542.db2.gz NJTMWIJSCWBHEA-UHFFFAOYSA-N 1 0 385.306 2.427 20 5 GEBDRO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1Cl ZINC000809815579 653298367 /nfs/dbraw/zinc/29/83/67/653298367.db2.gz JRNCMWYETZPSGP-JTQLQIEISA-N 1 0 377.825 2.150 20 5 GEBDRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000700973621 653318684 /nfs/dbraw/zinc/31/86/84/653318684.db2.gz DZCNZOJZZUHGMX-GHMZBOCLSA-N 1 0 389.193 2.055 20 5 GEBDRO C[C@@H](CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[NH+](C)C ZINC000836623807 653366365 /nfs/dbraw/zinc/36/63/65/653366365.db2.gz UXLHJCJXSQHBIW-JTQLQIEISA-N 1 0 385.262 2.375 20 5 GEBDRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)[C@@H]2C1 ZINC000813741036 653613960 /nfs/dbraw/zinc/61/39/60/653613960.db2.gz NFUMIOVIBCBWPG-PRHODGIISA-N 1 0 380.253 2.226 20 5 GEBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815009087 653642974 /nfs/dbraw/zinc/64/29/74/653642974.db2.gz ZHEQRHDACCJWMI-SNVBAGLBSA-N 1 0 379.841 2.398 20 5 GEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815028134 653645664 /nfs/dbraw/zinc/64/56/64/653645664.db2.gz RMJSBHYEBKHOCE-MFKMUULPSA-N 1 0 391.852 2.492 20 5 GEBDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000817149175 653704097 /nfs/dbraw/zinc/70/40/97/653704097.db2.gz BFHSCEVGTQCOQS-SNVBAGLBSA-N 1 0 392.275 2.072 20 5 GEBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000818978076 653739935 /nfs/dbraw/zinc/73/99/35/653739935.db2.gz QHZKVKFRHNDPBI-CYBMUJFWSA-N 1 0 399.289 2.346 20 5 GEBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841976190 653743093 /nfs/dbraw/zinc/74/30/93/653743093.db2.gz HIEFGLUQKOWOKP-HZMBPMFUSA-N 1 0 397.273 2.423 20 5 GEBDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000842721309 653764589 /nfs/dbraw/zinc/76/45/89/653764589.db2.gz FGULRRISJXUSKA-RNCFNFMXSA-N 1 0 392.275 2.105 20 5 GEBDRO CC[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[C@@H]1[NH3+] ZINC000842798223 653768005 /nfs/dbraw/zinc/76/80/05/653768005.db2.gz OCKBGCDKOHGMBM-SKDRFNHKSA-N 1 0 392.275 2.105 20 5 GEBDRO C[C@]1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCC[NH2+]C1 ZINC000842827396 653770023 /nfs/dbraw/zinc/77/00/23/653770023.db2.gz GJKIIKLSCXAWPX-ZDUSSCGKSA-N 1 0 392.275 2.025 20 5 GEBDRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000842838499 653770282 /nfs/dbraw/zinc/77/02/82/653770282.db2.gz OHJRHYVKHMPUPR-JTQLQIEISA-N 1 0 392.275 2.107 20 5 GEBDRO C[N@@H+]1CC[C@H]2CN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866205489 653788805 /nfs/dbraw/zinc/78/88/05/653788805.db2.gz MRKMLRUVDGDQLS-JQWIXIFHSA-N 1 0 375.397 2.122 20 5 GEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000866541127 653801367 /nfs/dbraw/zinc/80/13/67/653801367.db2.gz WTDVVFIBIJVFEZ-QMTHXVAHSA-N 1 0 382.258 2.499 20 5 GEBDRO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000866804030 653828968 /nfs/dbraw/zinc/82/89/68/653828968.db2.gz NNNQCQVXIMFQJG-UHFFFAOYSA-N 1 0 392.275 2.120 20 5 GEBDRO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000866804228 653829272 /nfs/dbraw/zinc/82/92/72/653829272.db2.gz RSQHAJZTTSLMRE-UHFFFAOYSA-N 1 0 392.275 2.120 20 5 GEBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000896259099 653871368 /nfs/dbraw/zinc/87/13/68/653871368.db2.gz RBRUZAJGSOQPFQ-MRVPVSSYSA-N 1 0 380.203 2.491 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000884956285 653897740 /nfs/dbraw/zinc/89/77/40/653897740.db2.gz ZQKSOAUMWPWYCL-UWVGGRQHSA-N 1 0 377.825 2.292 20 5 GEBDRO C[NH+](C)[C@H]1CCCN(CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795427552 653951676 /nfs/dbraw/zinc/95/16/76/653951676.db2.gz KFRWZXCLVLGSPL-LBPRGKRZSA-N 1 0 397.273 2.297 20 5 GEBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000885876776 653961084 /nfs/dbraw/zinc/96/10/84/653961084.db2.gz YDSGFUDGOCEXFK-AWEZNQCLSA-N 1 0 398.257 2.340 20 5 GEBDRO Nc1c(Br)cc(C(=O)N2CCC([NH+]3CCC3)CC2)cc1[N+](=O)[O-] ZINC000826936009 653966956 /nfs/dbraw/zinc/96/69/56/653966956.db2.gz GRPZBRXJOYEOJG-UHFFFAOYSA-N 1 0 383.246 2.250 20 5 GEBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795868518 653973151 /nfs/dbraw/zinc/97/31/51/653973151.db2.gz PMSUWOQZZMWOQT-JTQLQIEISA-N 1 0 379.841 2.492 20 5 GEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)C2)C1 ZINC000868534954 654042129 /nfs/dbraw/zinc/04/21/29/654042129.db2.gz NRCSFAPADDHSGI-MRXNPFEDSA-N 1 0 382.258 2.454 20 5 GEBDRO C[NH+](C)CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCC1 ZINC000798470824 654065080 /nfs/dbraw/zinc/06/50/80/654065080.db2.gz NUVKLSFRZQSWKF-UHFFFAOYSA-N 1 0 392.275 2.120 20 5 GEBDRO C[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000850591716 654084862 /nfs/dbraw/zinc/08/48/62/654084862.db2.gz DMXSEHUKDVQFEQ-KOLCDFICSA-N 1 0 392.275 2.105 20 5 GEBDRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000851812746 654180716 /nfs/dbraw/zinc/18/07/16/654180716.db2.gz MNQNCAZWXVZPSS-SNVBAGLBSA-N 1 0 379.841 2.492 20 5 GEBDRO CC[NH+]1CCC(NC(=O)COc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000902598577 654186437 /nfs/dbraw/zinc/18/64/37/654186437.db2.gz RMXHAXYIFKOHCX-UHFFFAOYSA-N 1 0 386.246 2.337 20 5 GEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(OC)CCS(=O)(=O)C1 ZINC000903365605 654235848 /nfs/dbraw/zinc/23/58/48/654235848.db2.gz OHRPQEMJLJXSGU-CJNGLKHVSA-N 1 0 388.511 2.259 20 5 GEBDRO C[C@@H]1[C@H](C)N(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000802994277 654254739 /nfs/dbraw/zinc/25/47/39/654254739.db2.gz UHXQSZQALCIVNI-NEPJUHHUSA-N 1 0 399.289 2.345 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000903593602 654265604 /nfs/dbraw/zinc/26/56/04/654265604.db2.gz QMJSKBJKTNLHPE-CYBMUJFWSA-N 1 0 380.253 2.418 20 5 GEBDRO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903747022 654281880 /nfs/dbraw/zinc/28/18/80/654281880.db2.gz NUHOMXQZFBBZHU-CQSZACIVSA-N 1 0 380.246 2.237 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cc(Br)ccc2Cl)c1 ZINC000905524760 654363580 /nfs/dbraw/zinc/36/35/80/654363580.db2.gz LFQVEWSTGLGOEL-LBPRGKRZSA-N 1 0 389.637 2.358 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC2OCCCO2)c1 ZINC000922281052 654381313 /nfs/dbraw/zinc/38/13/13/654381313.db2.gz QIVQXHUBJCZIMC-UHFFFAOYSA-N 1 0 378.166 2.052 20 5 GEBDRO Cn1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c(I)n1 ZINC000894367474 654470006 /nfs/dbraw/zinc/47/00/06/654470006.db2.gz SEDAWIWZBAOWKF-UHFFFAOYSA-N 1 0 386.193 2.265 20 5 GEBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1(Br)CC1 ZINC000926150303 654560977 /nfs/dbraw/zinc/56/09/77/654560977.db2.gz ITLJPBLXEGNXDJ-SNVBAGLBSA-N 1 0 377.260 2.274 20 5 GEBDRO O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000908201951 654612964 /nfs/dbraw/zinc/61/29/64/654612964.db2.gz NNDGMTFULYRSBP-DTWKUNHWSA-N 1 0 392.214 2.322 20 5 GEBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000933447140 654813821 /nfs/dbraw/zinc/81/38/21/654813821.db2.gz UWZIBQOPPCUEKY-KOLCDFICSA-N 1 0 385.262 2.494 20 5 GEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC000933794770 654827472 /nfs/dbraw/zinc/82/74/72/654827472.db2.gz QTNFUARCJBAPBA-LLVKDONJSA-N 1 0 385.262 2.496 20 5 GEBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc3cccc([N+](=O)[O-])c3n1)CC2 ZINC001164684280 719716461 /nfs/dbraw/zinc/71/64/61/719716461.db2.gz OISSJDAJODNSGF-UHFFFAOYSA-N 1 0 383.452 2.324 20 5 GEBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc3ccccc3cc1[N+](=O)[O-])CC2 ZINC001164686802 719728393 /nfs/dbraw/zinc/72/83/93/719728393.db2.gz UFKORCVNBJLPLN-UHFFFAOYSA-N 1 0 383.452 2.324 20 5 GEBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC001164805856 720092183 /nfs/dbraw/zinc/09/21/83/720092183.db2.gz ABAOKUYKPZETJR-RDTXWAMCSA-N 1 0 391.428 2.083 20 5 GEBDRO Cc1nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)ccc1[N+](=O)[O-] ZINC001164814595 720210753 /nfs/dbraw/zinc/21/07/53/720210753.db2.gz VBDBNYBQWIMJPI-UHFFFAOYSA-N 1 0 386.456 2.105 20 5 GEBDRO Cc1nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001164828328 720290507 /nfs/dbraw/zinc/29/05/07/720290507.db2.gz ZXXIHNJIQHNSQU-ZWKOTPCHSA-N 1 0 387.484 2.210 20 5 GEBDRO Cc1nc(Cl)nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1[N+](=O)[O-] ZINC001164734090 720550140 /nfs/dbraw/zinc/55/01/40/720550140.db2.gz TZBMHZNPMMOOSD-UHFFFAOYSA-N 1 0 391.863 2.202 20 5 GEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737892 720730944 /nfs/dbraw/zinc/73/09/44/720730944.db2.gz DIZGMCIJJUUULC-HOTGVXAUSA-N 1 0 392.419 2.275 20 5 GEBDRO Cc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c([N+](=O)[O-])c1 ZINC001164747767 720811511 /nfs/dbraw/zinc/81/15/11/720811511.db2.gz PJSHCQQYYUGBJG-KZNAEPCWSA-N 1 0 397.483 2.269 20 5 GEBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C)cc(Cl)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164853711 720848490 /nfs/dbraw/zinc/84/84/90/720848490.db2.gz OQQXVQCAJFABOY-ZFWWWQNUSA-N 1 0 384.864 2.125 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc(Cl)cc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164771588 721077455 /nfs/dbraw/zinc/07/74/55/721077455.db2.gz SCESOHNZPJJYLU-ZIAGYGMSSA-N 1 0 376.848 2.335 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(Cl)ncc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164761585 721090121 /nfs/dbraw/zinc/09/01/21/721090121.db2.gz CAZFBSAKTFYWKA-KBPBESRZSA-N 1 0 376.848 2.335 20 5 GEBDRO COc1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164904640 721530135 /nfs/dbraw/zinc/53/01/35/721530135.db2.gz FUUAQAMSAZEPIS-YOEHRIQHSA-N 1 0 388.399 2.479 20 5 GEBDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001164932465 721856774 /nfs/dbraw/zinc/85/67/74/721856774.db2.gz XYFZVLHMZKODEH-LSDHHAIUSA-N 1 0 390.875 2.406 20 5 GEBDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001164934369 721877414 /nfs/dbraw/zinc/87/74/14/721877414.db2.gz QVBGUXCPQHQVKE-MOPGFXCFSA-N 1 0 382.468 2.266 20 5 GEBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1 ZINC001165037987 721905736 /nfs/dbraw/zinc/90/57/36/721905736.db2.gz IKSLAVMSJIXMLJ-ZDUSSCGKSA-N 1 0 377.832 2.492 20 5 GEBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967567 722070395 /nfs/dbraw/zinc/07/03/95/722070395.db2.gz PZYZFCKOCBWLMB-BETUJISGSA-N 1 0 389.843 2.491 20 5 GEBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c2c1 ZINC001164967959 722070423 /nfs/dbraw/zinc/07/04/23/722070423.db2.gz WJSMKJJRCBHAKX-OKILXGFUSA-N 1 0 389.843 2.491 20 5 GEBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(F)c1 ZINC001164982547 722109901 /nfs/dbraw/zinc/10/99/01/722109901.db2.gz WZROOKZCQFBGHA-QAPCUYQASA-N 1 0 387.415 2.251 20 5 GEBDRO CCN1CCC[C@@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000171421892 531905527 /nfs/dbraw/zinc/90/55/27/531905527.db2.gz HZZZSEYRKJTCGZ-LLVKDONJSA-N 1 0 392.275 2.120 20 5 GEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121329776 532022909 /nfs/dbraw/zinc/02/29/09/532022909.db2.gz GSMLAURODLEUHU-LBPRGKRZSA-N 1 0 386.246 2.198 20 5 GEBDRO C[N@@H+](Cc1csc(Br)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174752387 532077536 /nfs/dbraw/zinc/07/75/36/532077536.db2.gz GBVFVTUESHWLSY-LLVKDONJSA-N 1 0 375.248 2.108 20 5 GEBDRO C[NH+](C)C1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000127929939 532158808 /nfs/dbraw/zinc/15/88/08/532158808.db2.gz IEWMNEVACYFJDN-UHFFFAOYSA-N 1 0 385.262 2.322 20 5 GEBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000184300958 532331796 /nfs/dbraw/zinc/33/17/96/532331796.db2.gz IQULFRCAFAROIK-GFCCVEGCSA-N 1 0 399.289 2.113 20 5 GEBDRO O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000192362630 532402576 /nfs/dbraw/zinc/40/25/76/532402576.db2.gz URCCZOPKYYSKNQ-GFCCVEGCSA-N 1 0 398.257 2.152 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000192984912 532415125 /nfs/dbraw/zinc/41/51/25/532415125.db2.gz BIQDTJMKSYYPIC-CQSZACIVSA-N 1 0 381.479 2.457 20 5 GEBDRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000373912321 532478483 /nfs/dbraw/zinc/47/84/83/532478483.db2.gz PMYVIGQURPIDTI-OWUUHHOZSA-N 1 0 379.360 2.256 20 5 GEBDRO C[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000374253185 532496256 /nfs/dbraw/zinc/49/62/56/532496256.db2.gz FXYPGVBTXHQATE-LBPRGKRZSA-N 1 0 398.305 2.357 20 5 GEBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000236927342 532500457 /nfs/dbraw/zinc/50/04/57/532500457.db2.gz OMELVJAGQWLUIS-SECBINFHSA-N 1 0 391.209 2.447 20 5 GEBDRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000470264791 532524962 /nfs/dbraw/zinc/52/49/62/532524962.db2.gz WPOMLQAKBZEYLC-UHFFFAOYSA-N 1 0 392.275 2.072 20 5 GEBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000565362002 532558373 /nfs/dbraw/zinc/55/83/73/532558373.db2.gz NGBIPTGHSXTXSR-LLVKDONJSA-N 1 0 389.193 2.023 20 5 GEBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000566100645 532593595 /nfs/dbraw/zinc/59/35/95/532593595.db2.gz AQPKUXDXJOJSIU-IUCAKERBSA-N 1 0 389.193 2.009 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](c2cncc(Br)c2)C2CC2)c1 ZINC000284879263 532629337 /nfs/dbraw/zinc/62/93/37/532629337.db2.gz SWMHERJKQLUOFB-GJZGRUSLSA-N 1 0 396.245 2.051 20 5 GEBDRO CC[NH+]1CCC(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000298791649 532673602 /nfs/dbraw/zinc/67/36/02/532673602.db2.gz CNJDHWXFVLZDGU-UHFFFAOYSA-N 1 0 392.275 2.120 20 5 GEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000285685144 532698416 /nfs/dbraw/zinc/69/84/16/532698416.db2.gz HWKVLIYMNFJJLD-GJZGRUSLSA-N 1 0 398.257 2.211 20 5 GEBDRO C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H]1C[NH3+] ZINC000440424497 532713628 /nfs/dbraw/zinc/71/36/28/532713628.db2.gz FOEAMLLKSIROOT-JOYOIKCWSA-N 1 0 392.275 2.105 20 5 GEBDRO C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@H]1C[NH3+] ZINC000440427341 532714957 /nfs/dbraw/zinc/71/49/57/532714957.db2.gz NJRLXHISTUAWMT-CABZTGNLSA-N 1 0 381.376 2.362 20 5 GEBDRO CO[C@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000440860891 532723629 /nfs/dbraw/zinc/72/36/29/532723629.db2.gz PQIRVVNSIOHZNU-UWVGGRQHSA-N 1 0 398.268 2.028 20 5 GEBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000577049719 532729952 /nfs/dbraw/zinc/72/99/52/532729952.db2.gz YDOLWJQUUBSUAW-IUODEOHRSA-N 1 0 385.262 2.475 20 5 GEBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301824456 532760449 /nfs/dbraw/zinc/76/04/49/532760449.db2.gz NVOADIZZXNVUOB-CQSZACIVSA-N 1 0 397.273 2.276 20 5 GEBDRO CC(C)(CC[NH3+])NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000583747290 532766475 /nfs/dbraw/zinc/76/64/75/532766475.db2.gz ZCQDYTHZINNIEI-UHFFFAOYSA-N 1 0 377.182 2.057 20 5 GEBDRO Cc1c(Br)cc(C(=O)NCCN2CCSCC2)cc1[N+](=O)[O-] ZINC000510439788 532772993 /nfs/dbraw/zinc/77/29/93/532772993.db2.gz AYBDUQIOKDTVEX-UHFFFAOYSA-N 1 0 388.287 2.444 20 5 GEBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)CC[C@@H]1[NH3+] ZINC000269308386 532780394 /nfs/dbraw/zinc/78/03/94/532780394.db2.gz ZSHCJVAOJZVCMG-UFBFGSQYSA-N 1 0 389.193 2.009 20 5 GEBDRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000414464314 532829682 /nfs/dbraw/zinc/82/96/82/532829682.db2.gz MGHHHXVRIXOVCI-RYUDHWBXSA-N 1 0 381.376 2.375 20 5 GEBDRO [NH3+]CCN(CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000414905458 532835213 /nfs/dbraw/zinc/83/52/13/532835213.db2.gz AVJGWZTVFBFTIN-UHFFFAOYSA-N 1 0 384.230 2.370 20 5 GEBDRO CS[C@H]1CN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000332077864 532848484 /nfs/dbraw/zinc/84/84/84/532848484.db2.gz HEGBSZSQUCSHBZ-GJZGRUSLSA-N 1 0 385.511 2.104 20 5 GEBDRO CS[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1[NH+]1CCCC1 ZINC000332082691 532848642 /nfs/dbraw/zinc/84/86/42/532848642.db2.gz OHDDNILELFMXQC-HZPDHXFCSA-N 1 0 385.511 2.104 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@H]2CC[C@H](O)C2)c1 ZINC000289594143 532859895 /nfs/dbraw/zinc/85/98/95/532859895.db2.gz ULACFHBPZVAXCP-ZANVPECISA-N 1 0 376.194 2.450 20 5 GEBDRO C[NH+]1CCC(NCc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000290035750 532870667 /nfs/dbraw/zinc/87/06/67/532870667.db2.gz WDVRLNXYHJHPAD-UHFFFAOYSA-N 1 0 375.210 2.383 20 5 GEBDRO C[NH+](C)C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000416367892 532872065 /nfs/dbraw/zinc/87/20/65/532872065.db2.gz GUYAMMDXYCLRTJ-UHFFFAOYSA-N 1 0 381.376 2.328 20 5 GEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000416371881 532872467 /nfs/dbraw/zinc/87/24/67/532872467.db2.gz JYQLSFHEALCDGW-UHFFFAOYSA-N 1 0 381.376 2.378 20 5 GEBDRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000290709457 532887162 /nfs/dbraw/zinc/88/71/62/532887162.db2.gz JGSYQCGPLJNISS-VIFPVBQESA-N 1 0 382.269 2.474 20 5 GEBDRO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000362635461 532896627 /nfs/dbraw/zinc/89/66/27/532896627.db2.gz ALSHZCBPGDNLSN-OAHLLOKOSA-N 1 0 381.479 2.447 20 5 GEBDRO C[NH+]1CCN(CCCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291502589 532903073 /nfs/dbraw/zinc/90/30/73/532903073.db2.gz VPWNXJPLYDDDLL-UHFFFAOYSA-N 1 0 375.256 2.269 20 5 GEBDRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C2)C1 ZINC000292057085 532912388 /nfs/dbraw/zinc/91/23/88/532912388.db2.gz OGEOAEOBAIHRDQ-AWEZNQCLSA-N 1 0 377.825 2.104 20 5 GEBDRO C[C@@H](CCCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000293468947 532927389 /nfs/dbraw/zinc/92/73/89/532927389.db2.gz QMFULUFUMCARHO-VIFPVBQESA-N 1 0 391.209 2.447 20 5 GEBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736266167 598869574 /nfs/dbraw/zinc/86/95/74/598869574.db2.gz GLJZEQXIXNPOTN-KGLIPLIRSA-N 1 0 386.460 2.261 20 5 GEBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736266169 598869825 /nfs/dbraw/zinc/86/98/25/598869825.db2.gz GLJZEQXIXNPOTN-ZIAGYGMSSA-N 1 0 386.460 2.261 20 5 GEBDRO C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820727074 599109300 /nfs/dbraw/zinc/10/93/00/599109300.db2.gz GJYWXAWRZSJJNO-AWEZNQCLSA-N 1 0 394.439 2.271 20 5 GEBDRO Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)[NH+]2CCCC2)o1 ZINC000737320576 598246830 /nfs/dbraw/zinc/24/68/30/598246830.db2.gz RHQZXRQMSVGYOW-CQSZACIVSA-N 1 0 384.400 2.320 20 5 GEBDRO Cc1cc[nH+]c(NC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)c1 ZINC000737436132 598671762 /nfs/dbraw/zinc/67/17/62/598671762.db2.gz FJCIBFLUKYODHS-CYBMUJFWSA-N 1 0 380.412 2.417 20 5 GEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000737194511 598816454 /nfs/dbraw/zinc/81/64/54/598816454.db2.gz MUVPCOLHNRGXLX-CQSZACIVSA-N 1 0 379.424 2.486 20 5 GEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821623130 599559514 /nfs/dbraw/zinc/55/95/14/599559514.db2.gz DKYSLUMQYXICJB-GFCCVEGCSA-N 1 0 382.428 2.101 20 5 GEBDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000824778470 607679867 /nfs/dbraw/zinc/67/98/67/607679867.db2.gz PQGARNYCCROLES-LBPRGKRZSA-N 1 0 395.427 2.202 20 5 GEBDRO CC(C)[N@@H+]1CC[C@H](CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820129306 606797376 /nfs/dbraw/zinc/79/73/76/606797376.db2.gz YOOYMPVJAXWHKE-GFCCVEGCSA-N 1 0 382.428 2.465 20 5 GEBDRO C[N@@H+]1CCC[C@@H]2CN(c3cc(-c4nn[nH]n4)c4cc([N+](=O)[O-])ccc4n3)CC[C@@H]21 ZINC000821625061 607030241 /nfs/dbraw/zinc/03/02/41/607030241.db2.gz FALKAARTJCOKPK-PXAZEXFGSA-N 1 0 394.439 2.244 20 5 GEBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000823619795 607161660 /nfs/dbraw/zinc/16/16/60/607161660.db2.gz BDSCJMQTJOYWEC-UHFFFAOYSA-N 1 0 380.412 2.246 20 5 GEBDRO Cc1cccc(NC[C@H]2CCN(c3ccc(-c4nn[nH]n4)c([N+](=O)[O-])c3)C2)[nH+]1 ZINC000826299569 607841350 /nfs/dbraw/zinc/84/13/50/607841350.db2.gz LFRNDYLEYAYDHP-CYBMUJFWSA-N 1 0 380.412 2.417 20 5 GEBDRO CC(C)OCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC000824315805 607842870 /nfs/dbraw/zinc/84/28/70/607842870.db2.gz ZGWHFYFOELJXGH-UHFFFAOYSA-N 1 0 375.433 2.076 20 5 GEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826304726 608482784 /nfs/dbraw/zinc/48/27/84/608482784.db2.gz WDCXENUDKHSVKK-LBPRGKRZSA-N 1 0 381.396 2.373 20 5 GEBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000449749366 650048917 /nfs/dbraw/zinc/04/89/17/650048917.db2.gz FUQSLCVJLKCCGQ-NSHDSACASA-N 1 0 389.193 2.070 20 5 GEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000462894156 650492018 /nfs/dbraw/zinc/49/20/18/650492018.db2.gz NFQGFBOBJQLRLT-DZGCQCFKSA-N 1 0 382.258 2.404 20 5 GEBDRO CC[N@@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000511544348 650538497 /nfs/dbraw/zinc/53/84/97/650538497.db2.gz YNTUYZKFCKFADQ-LLVKDONJSA-N 1 0 385.262 2.322 20 5 GEBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CS1 ZINC000488416971 650745912 /nfs/dbraw/zinc/74/59/12/650745912.db2.gz JKJULRSTCZCUDY-DOMZBBRYSA-N 1 0 387.527 2.383 20 5 GEBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1[NH+](C)C ZINC000489245083 650756467 /nfs/dbraw/zinc/75/64/67/650756467.db2.gz FDBLOCQIQFAJAB-WCQYABFASA-N 1 0 375.397 2.314 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000490045267 650766877 /nfs/dbraw/zinc/76/68/77/650766877.db2.gz ADVDFLHVASHKFF-VIFPVBQESA-N 1 0 394.291 2.142 20 5 GEBDRO C[C@H](CNCc1cc(I)cc([N+](=O)[O-])c1)C[NH+](C)C ZINC000491599579 650787689 /nfs/dbraw/zinc/78/76/89/650787689.db2.gz SHAPQFSCOZDQOC-SNVBAGLBSA-N 1 0 377.226 2.487 20 5 GEBDRO C[NH+](C)C1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000066575511 642922271 /nfs/dbraw/zinc/92/22/71/642922271.db2.gz IOJWSCPPOMSWQE-UHFFFAOYSA-N 1 0 392.275 2.072 20 5 GEBDRO C[C@@H](CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000066578005 642923100 /nfs/dbraw/zinc/92/31/00/642923100.db2.gz LXGSQSVCGCMHAQ-VIFPVBQESA-N 1 0 392.275 2.118 20 5 GEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H](O)[C@@H](O)C3)o2)c(Br)c1 ZINC000093483710 643077109 /nfs/dbraw/zinc/07/71/09/643077109.db2.gz GPVFOVODQBMNOD-OKILXGFUSA-N 1 0 383.198 2.155 20 5 GEBDRO CC[N@H+](CCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000103159619 643157005 /nfs/dbraw/zinc/15/70/05/643157005.db2.gz KNQZDDSPIPHIFQ-UHFFFAOYSA-N 1 0 392.275 2.120 20 5 GEBDRO O=C(CN1CC[C@@H]([NH+]2CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000110627963 643315257 /nfs/dbraw/zinc/31/52/57/643315257.db2.gz XTTSMCPFFRXFQD-CYBMUJFWSA-N 1 0 397.273 2.466 20 5 GEBDRO C[C@@H](CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000120287977 643598409 /nfs/dbraw/zinc/59/84/09/643598409.db2.gz QDXFRQRRRFPNJU-VIFPVBQESA-N 1 0 392.275 2.118 20 5 GEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000123069703 643664419 /nfs/dbraw/zinc/66/44/19/643664419.db2.gz AHWKYUNLCPFNMW-KOLCDFICSA-N 1 0 392.275 2.248 20 5 GEBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000124060442 643680775 /nfs/dbraw/zinc/68/07/75/643680775.db2.gz HQVZNVGVUNVFEL-UHFFFAOYSA-N 1 0 380.264 2.153 20 5 GEBDRO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000124222489 643683005 /nfs/dbraw/zinc/68/30/05/643683005.db2.gz CWUXMBNBPKVHBT-VIFPVBQESA-N 1 0 380.264 2.009 20 5 GEBDRO Cc1sc(S(=O)(=O)N2CCC(OCCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000125076960 643699882 /nfs/dbraw/zinc/69/98/82/643699882.db2.gz SGRJXLDEXRTFJY-UHFFFAOYSA-N 1 0 391.515 2.086 20 5 GEBDRO CS[C@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000541062741 650870358 /nfs/dbraw/zinc/87/03/58/650870358.db2.gz VMLZHTPGJHDLRI-YPMHNXCESA-N 1 0 375.397 2.314 20 5 GEBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000154205001 644025753 /nfs/dbraw/zinc/02/57/53/644025753.db2.gz DOJFEMRXDKRRRZ-RKDXNWHRSA-N 1 0 389.193 2.151 20 5 GEBDRO COCC[N@H+](C)CCCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000164155305 644259175 /nfs/dbraw/zinc/25/91/75/644259175.db2.gz BTLDYQLITQYAAE-UHFFFAOYSA-N 1 0 388.262 2.364 20 5 GEBDRO COc1cc(C[NH2+][C@H](C)C[S@](C)=O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000184257102 645013816 /nfs/dbraw/zinc/01/38/16/645013816.db2.gz BBCQZLYGNYOXST-IJRMKIOGSA-N 1 0 384.376 2.401 20 5 GEBDRO CC1(NC(=O)c2cc([N+](=O)[O-])ccc2I)CC[NH2+]CC1 ZINC000193366815 645268792 /nfs/dbraw/zinc/26/87/92/645268792.db2.gz BMXBPCVKTSRYCC-UHFFFAOYSA-N 1 0 389.193 2.071 20 5 GEBDRO CC1(CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000193375988 645268802 /nfs/dbraw/zinc/26/88/02/645268802.db2.gz UKQKJOKYGQWHRL-UHFFFAOYSA-N 1 0 392.275 2.025 20 5 GEBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000193510622 645280243 /nfs/dbraw/zinc/28/02/43/645280243.db2.gz DZELSKKDXSTPLO-QPUJVOFHSA-N 1 0 389.193 2.070 20 5 GEBDRO CC[NH+](CC)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000193717523 645293545 /nfs/dbraw/zinc/29/35/45/645293545.db2.gz PWQUNLDATBOMIC-UHFFFAOYSA-N 1 0 394.291 2.368 20 5 GEBDRO C[C@@H]1CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000237473428 645433168 /nfs/dbraw/zinc/43/31/68/645433168.db2.gz SSSALKVADSPMLJ-BDAKNGLRSA-N 1 0 389.193 2.022 20 5 GEBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000237615376 645438766 /nfs/dbraw/zinc/43/87/66/645438766.db2.gz UHSDKWFKKOUABS-DTWKUNHWSA-N 1 0 389.193 2.151 20 5 GEBDRO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000261953005 645614167 /nfs/dbraw/zinc/61/41/67/645614167.db2.gz GGJXPEGCERVWJJ-CQSZACIVSA-N 1 0 380.246 2.237 20 5 GEBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)CC[C@H]1[NH3+] ZINC000269217741 646023208 /nfs/dbraw/zinc/02/32/08/646023208.db2.gz QABIEFCIHNEHAU-QPUJVOFHSA-N 1 0 389.193 2.009 20 5 GEBDRO CS[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@@H]1[NH+](C)C ZINC000277332753 646403890 /nfs/dbraw/zinc/40/38/90/646403890.db2.gz RTMCISPTIMRRJB-NWDGAFQWSA-N 1 0 388.287 2.475 20 5 GEBDRO CS[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000330546898 647344895 /nfs/dbraw/zinc/34/48/95/647344895.db2.gz PWSWOCFCALLLMT-CHWSQXEVSA-N 1 0 388.287 2.475 20 5 GEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000331369114 647382403 /nfs/dbraw/zinc/38/24/03/647382403.db2.gz CKCUFLNVRAZQBQ-MEBBXXQBSA-N 1 0 382.258 2.499 20 5 GEBDRO CS[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C[C@H]1[NH+]1CCCC1 ZINC000332071295 647409981 /nfs/dbraw/zinc/40/99/81/647409981.db2.gz CIAPATSDTNQIDC-CABCVRRESA-N 1 0 385.511 2.104 20 5 GEBDRO CS[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C[C@H]1[NH+]1CCCC1 ZINC000332071649 647410106 /nfs/dbraw/zinc/41/01/06/647410106.db2.gz CNDXOWBQAVHIQZ-CABCVRRESA-N 1 0 385.511 2.104 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1C[C@@H]2[C@H]3CCCC[N@H+]3C[C@H]2C1 ZINC000363260504 647589897 /nfs/dbraw/zinc/58/98/97/647589897.db2.gz WXAHUCRKWXVXMF-FPMFFAJLSA-N 1 0 385.873 2.353 20 5 GEBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1I ZINC000364574305 647636893 /nfs/dbraw/zinc/63/68/93/647636893.db2.gz DIDIGCWBNAXICC-SECBINFHSA-N 1 0 389.193 2.071 20 5 GEBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000364936540 647650411 /nfs/dbraw/zinc/65/04/11/647650411.db2.gz OSXXLVUSLRVKSK-LBPRGKRZSA-N 1 0 387.889 2.255 20 5 GEBDRO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000370306667 647784582 /nfs/dbraw/zinc/78/45/82/647784582.db2.gz WTNYDUZSGARKAV-LLVKDONJSA-N 1 0 383.246 2.453 20 5 GEBDRO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000370306668 647784813 /nfs/dbraw/zinc/78/48/13/647784813.db2.gz WTNYDUZSGARKAV-NSHDSACASA-N 1 0 383.246 2.453 20 5 GEBDRO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000377825407 647867427 /nfs/dbraw/zinc/86/74/27/647867427.db2.gz BMPQPGHXGFBXAH-LLVKDONJSA-N 1 0 391.852 2.494 20 5 GEBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCN2CCOC[C@@H]2C1 ZINC000408198389 647936120 /nfs/dbraw/zinc/93/61/20/647936120.db2.gz MUNMBIHXEQPQGB-LBPRGKRZSA-N 1 0 393.241 2.426 20 5 GEBDRO C[C@H](CNc1c(I)cncc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000418850096 648317377 /nfs/dbraw/zinc/31/73/77/648317377.db2.gz NQBSEMDJKUTTOS-SNVBAGLBSA-N 1 0 390.225 2.160 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000420449384 648417138 /nfs/dbraw/zinc/41/71/38/648417138.db2.gz GFKFECVLPRXUNO-NXEZZACHSA-N 1 0 392.275 2.071 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000420448346 648417148 /nfs/dbraw/zinc/41/71/48/648417148.db2.gz LGCJJSFGYMQKPF-SNVBAGLBSA-N 1 0 392.275 2.086 20 5 GEBDRO CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000420464508 648418256 /nfs/dbraw/zinc/41/82/56/648418256.db2.gz PFCOOKPYHQGVNI-NSHDSACASA-N 1 0 380.264 2.009 20 5 GEBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000423948619 648604668 /nfs/dbraw/zinc/60/46/68/648604668.db2.gz GCDPVSRTUUNAJH-NSHDSACASA-N 1 0 391.209 2.303 20 5 GEBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(I)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000566205874 651602566 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380.264 2.071 20 5 GEBDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000571452467 651833230 /nfs/dbraw/zinc/83/32/30/651833230.db2.gz QIJOWDPPMMGPPJ-QPUJVOFHSA-N 1 0 396.250 2.401 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Br)c(F)c2)c1 ZINC000573084207 651933727 /nfs/dbraw/zinc/93/37/27/651933727.db2.gz WAEZCGDWJZPOAN-TYNCELHUSA-N 1 0 399.220 2.200 20 5 GEBDRO CS(=O)(=O)NC1CC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000619748002 652075718 /nfs/dbraw/zinc/07/57/18/652075718.db2.gz PBERDYNHEVHHPX-UHFFFAOYSA-N 1 0 381.479 2.493 20 5 GEBDRO [NH3+][C@H]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000577849752 652221713 /nfs/dbraw/zinc/22/17/13/652221713.db2.gz DGHHKLAEIUNEDK-ZJUUUORDSA-N 1 0 381.376 2.409 20 5 GEBDRO [NH3+][C@@H]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000577849751 652221838 /nfs/dbraw/zinc/22/18/38/652221838.db2.gz DGHHKLAEIUNEDK-VHSXEESVSA-N 1 0 381.376 2.409 20 5 GEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000577951339 652231359 /nfs/dbraw/zinc/23/13/59/652231359.db2.gz NQEZOKNCBWOJBY-NSHDSACASA-N 1 0 391.209 2.447 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000580550454 652383196 /nfs/dbraw/zinc/38/31/96/652383196.db2.gz IQGKODYNUZBJBN-DTWKUNHWSA-N 1 0 380.253 2.132 20 5 GEBDRO CS(=O)(=O)c1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000582841107 652463552 /nfs/dbraw/zinc/46/35/52/652463552.db2.gz YALTYNJZRJHPIN-UHFFFAOYSA-N 1 0 383.451 2.178 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCc2cnccn2)c1 ZINC000589316871 652565610 /nfs/dbraw/zinc/56/56/10/652565610.db2.gz ZKOUGUQTBKEVSN-UHFFFAOYSA-N 1 0 384.177 2.322 20 5 GEBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)c(Br)c1 ZINC000590192768 652576424 /nfs/dbraw/zinc/57/64/24/652576424.db2.gz GIFRLLISRVEXEG-JOYOIKCWSA-N 1 0 387.209 2.405 20 5 GEBDRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000592387548 652592674 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O=[N+]([O-])c1sc(C[NH2+]C[C@@H]2CCCCN2CCO)cc1Br ZINC000602675149 653200056 /nfs/dbraw/zinc/20/00/56/653200056.db2.gz RMTVDRAGVRUOMP-JTQLQIEISA-N 1 0 378.292 2.355 20 5 GEBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000712334382 653323999 /nfs/dbraw/zinc/32/39/99/653323999.db2.gz IWRPCNHWDILIAK-JTQLQIEISA-N 1 0 389.193 2.023 20 5 GEBDRO C[NH2+]C(C)(C)CNC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000836608067 653364190 /nfs/dbraw/zinc/36/41/90/653364190.db2.gz ODWKOQMVUPRXRE-UHFFFAOYSA-N 1 0 392.197 2.319 20 5 GEBDRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000877331603 653476617 /nfs/dbraw/zinc/47/66/17/653476617.db2.gz ORWPRTVFSOPPKV-CQSZACIVSA-N 1 0 398.257 2.246 20 5 GEBDRO C[C@H]([NH3+])CN(C)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000859686969 653493101 /nfs/dbraw/zinc/49/31/01/653493101.db2.gz YKPUXRLHXNEYPG-ZETCQYMHSA-N 1 0 378.170 2.010 20 5 GEBDRO CS[C@@H]1CN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C[C@@H]1[NH+](C)C ZINC000779916455 653616457 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1 0 375.878 2.400 20 5 GEBDRO Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CC[NH+](C)C ZINC000784735739 653698954 /nfs/dbraw/zinc/69/89/54/653698954.db2.gz CJLRKUTZMPGJSX-JTQLQIEISA-N 1 0 394.291 2.284 20 5 GEBDRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000840952763 653703427 /nfs/dbraw/zinc/70/34/27/653703427.db2.gz SFHOOXDULOGFST-QWRGUYRKSA-N 1 0 392.275 2.118 20 5 GEBDRO [NH3+]Cc1cn([C@H]2CCCN(Cc3ccc(Br)c([N+](=O)[O-])c3)C2)nn1 ZINC000841099053 653706392 /nfs/dbraw/zinc/70/63/92/653706392.db2.gz CFMLMTPDMSPYSZ-ZDUSSCGKSA-N 1 0 395.261 2.245 20 5 GEBDRO C[NH2+][C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)C1 ZINC000841234631 653711632 /nfs/dbraw/zinc/71/16/32/653711632.db2.gz QMFGUEFMQSEICM-VIFPVBQESA-N 1 0 390.181 2.025 20 5 GEBDRO O=C(NC[C@H]1CCC[NH2+]1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841937687 653742738 /nfs/dbraw/zinc/74/27/38/653742738.db2.gz BXNZKQRVWLHDBF-SNVBAGLBSA-N 1 0 383.246 2.177 20 5 GEBDRO O=C(NCC[C@H]1CC[NH2+]C1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841938621 653742800 /nfs/dbraw/zinc/74/28/00/653742800.db2.gz NVXJKFJBJXLOMA-LLVKDONJSA-N 1 0 397.273 2.425 20 5 GEBDRO [NH3+]C1(CNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCC1 ZINC000841967052 653743005 /nfs/dbraw/zinc/74/30/05/653743005.db2.gz LTUJXKLHPOXDFV-UHFFFAOYSA-N 1 0 383.246 2.306 20 5 GEBDRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000819264537 653747351 /nfs/dbraw/zinc/74/73/51/653747351.db2.gz WUCIOZKOVJRCSU-OAHLLOKOSA-N 1 0 384.841 2.475 20 5 GEBDRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C2 ZINC000842796714 653767878 /nfs/dbraw/zinc/76/78/78/653767878.db2.gz DUZOLYMFCMFSBF-UHFFFAOYSA-N 1 0 379.360 2.162 20 5 GEBDRO C[C@@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCC[NH2+]C1 ZINC000842827312 653769915 /nfs/dbraw/zinc/76/99/15/653769915.db2.gz SDTLRGCQHINJEX-CYBMUJFWSA-N 1 0 392.275 2.025 20 5 GEBDRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000842841748 653770353 /nfs/dbraw/zinc/77/03/53/653770353.db2.gz QJSVGXMVYNPTMG-SNVBAGLBSA-N 1 0 392.275 2.107 20 5 GEBDRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842860697 653770765 /nfs/dbraw/zinc/77/07/65/653770765.db2.gz WEWMEPNWQAYSPH-SNVBAGLBSA-N 1 0 392.275 2.249 20 5 GEBDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])C2)CC1 ZINC000882346871 653777271 /nfs/dbraw/zinc/77/72/71/653777271.db2.gz YSEWFZGIVIJYJG-UHFFFAOYSA-N 1 0 391.852 2.494 20 5 GEBDRO Cc1cc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000882619443 653791127 /nfs/dbraw/zinc/79/11/27/653791127.db2.gz LFFSIGLQMXUZMM-NSHDSACASA-N 1 0 382.467 2.259 20 5 GEBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC000895611045 653843347 /nfs/dbraw/zinc/84/33/47/653843347.db2.gz ONCLCFKEVLTCCX-UHFFFAOYSA-N 1 0 377.260 2.272 20 5 GEBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC[C@H]1CC1(Cl)Cl ZINC000823247487 653859737 /nfs/dbraw/zinc/85/97/37/653859737.db2.gz GGENJBDBGOXVHK-NSHDSACASA-N 1 0 396.296 2.389 20 5 GEBDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000896006275 653860626 /nfs/dbraw/zinc/86/06/26/653860626.db2.gz JJZHSZPZQMCDOV-MWLCHTKSSA-N 1 0 377.260 2.270 20 5 GEBDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000896006274 653860739 /nfs/dbraw/zinc/86/07/39/653860739.db2.gz JJZHSZPZQMCDOV-KOLCDFICSA-N 1 0 377.260 2.270 20 5 GEBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000896220895 653869598 /nfs/dbraw/zinc/86/95/98/653869598.db2.gz KIISCDHAWPWTEQ-VIFPVBQESA-N 1 0 393.246 2.406 20 5 GEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896539990 653883460 /nfs/dbraw/zinc/88/34/60/653883460.db2.gz CMNOWQHCPSJZBV-XHDPSFHLSA-N 1 0 399.289 2.030 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000884956286 653897780 /nfs/dbraw/zinc/89/77/80/653897780.db2.gz ZQKSOAUMWPWYCL-VHSXEESVSA-N 1 0 377.825 2.292 20 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C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CC[C@@H]21 ZINC000827308311 653985411 /nfs/dbraw/zinc/98/54/11/653985411.db2.gz BKNOVGRHMCUXGV-DOMZBBRYSA-N 1 0 382.258 2.452 20 5 GEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCn1cc(Br)cn1)OCCO2 ZINC000796513984 653999844 /nfs/dbraw/zinc/99/98/44/653999844.db2.gz SFGPEIZOIMJWLG-UHFFFAOYSA-N 1 0 383.202 2.115 20 5 GEBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000828510136 654038879 /nfs/dbraw/zinc/03/88/79/654038879.db2.gz GYIYYQGDGLHLSA-CABZTGNLSA-N 1 0 383.246 2.106 20 5 GEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850491170 654078968 /nfs/dbraw/zinc/07/89/68/654078968.db2.gz MILHNTMHZGEHGC-REFGNXHDSA-N 1 0 381.376 2.213 20 5 GEBDRO C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000900812090 654082052 /nfs/dbraw/zinc/08/20/52/654082052.db2.gz RHHMPABZMKZIKE-BXUZGUMPSA-N 1 0 386.905 2.091 20 5 GEBDRO C[NH+](C)C[C@H]1CCN(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000889723108 654164285 /nfs/dbraw/zinc/16/42/85/654164285.db2.gz UBCRBLAIZLKUIL-LLVKDONJSA-N 1 0 385.262 2.450 20 5 GEBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889744994 654166347 /nfs/dbraw/zinc/16/63/47/654166347.db2.gz QLBUUYLJAPHCSN-QWHCGFSZSA-N 1 0 398.257 2.029 20 5 GEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000802994280 654254770 /nfs/dbraw/zinc/25/47/70/654254770.db2.gz UHXQSZQALCIVNI-VXGBXAGGSA-N 1 0 399.289 2.345 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)c(C(F)(F)F)c1 ZINC000903591958 654265212 /nfs/dbraw/zinc/26/52/12/654265212.db2.gz AAGICORLSOORCG-CYBMUJFWSA-N 1 0 379.360 2.130 20 5 GEBDRO C[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834839780 654352472 /nfs/dbraw/zinc/35/24/72/654352472.db2.gz CWYZTJVQXKQBIV-SNVBAGLBSA-N 1 0 381.230 2.452 20 5 GEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2(n3cc(Br)cn3)CC2)c1 ZINC000905587648 654368238 /nfs/dbraw/zinc/36/82/38/654368238.db2.gz QOJHARMBZOTAKS-CQSZACIVSA-N 1 0 381.230 2.366 20 5 GEBDRO C[C@H](CCNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])[NH+](C)C ZINC000855417898 654418621 /nfs/dbraw/zinc/41/86/21/654418621.db2.gz RGIREHMNVJWUDA-LLVKDONJSA-N 1 0 387.278 2.250 20 5 GEBDRO Cn1cc([C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3Br)C[C@H]2[NH3+])cn1 ZINC000923383564 654447837 /nfs/dbraw/zinc/44/78/37/654447837.db2.gz KEEXHQJLXXXNPL-DZGCQCFKSA-N 1 0 380.246 2.018 20 5 GEBDRO C[NH+]1CCC2(CCN2S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000907856951 654583935 /nfs/dbraw/zinc/58/39/35/654583935.db2.gz FJYQYWSAXJUERD-UHFFFAOYSA-N 1 0 377.825 2.246 20 5 GEBDRO O=[N+]([O-])c1ccc(Br)c(CN2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC000934271276 654842133 /nfs/dbraw/zinc/84/21/33/654842133.db2.gz FCIOQOXPMODHNE-HOTGVXAUSA-N 1 0 384.274 2.388 20 5 GEBDRO O=[N+]([O-])c1ccc(Br)c(CN2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC000934271277 654842224 /nfs/dbraw/zinc/84/22/24/654842224.db2.gz FCIOQOXPMODHNE-HZPDHXFCSA-N 1 0 384.274 2.388 20 5 GEBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001164820983 720303388 /nfs/dbraw/zinc/30/33/88/720303388.db2.gz INQSMDUUWPRIJY-JKSUJKDBSA-N 1 0 391.447 2.040 20 5 GEBDRO COC(=O)c1ccnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164726558 720395869 /nfs/dbraw/zinc/39/58/69/720395869.db2.gz PNAWBUYDJHNMEA-HZPDHXFCSA-N 1 0 383.408 2.025 20 5 GEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727871 720408666 /nfs/dbraw/zinc/40/86/66/720408666.db2.gz SAICEVHMAWEEFH-QZTJIDSGSA-N 1 0 397.435 2.415 20 5 GEBDRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835957 720595507 /nfs/dbraw/zinc/59/55/07/720595507.db2.gz DAJCJQMMDRPRBA-UWWQBHOKSA-N 1 0 385.472 2.146 20 5 GEBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc([N+](=O)[O-])cc[n+]1[O-])CC2 ZINC001164844209 720660099 /nfs/dbraw/zinc/66/00/99/720660099.db2.gz YLPGGHLSZHIVJG-IBGZPJMESA-N 1 0 398.463 2.488 20 5 GEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164751920 720803847 /nfs/dbraw/zinc/80/38/47/720803847.db2.gz YDFUYZZAGUPLKR-DLBZAZTESA-N 1 0 392.419 2.275 20 5 GEBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)c(C)cc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164849278 720847844 /nfs/dbraw/zinc/84/78/44/720847844.db2.gz BWBMKNPNNQBSEE-ZFWWWQNUSA-N 1 0 384.864 2.125 20 5 GEBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164861757 720865703 /nfs/dbraw/zinc/86/57/03/720865703.db2.gz YNHCOKFEKVDWAG-QFBILLFUSA-N 1 0 386.452 2.317 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cnc5ccc([N+](=O)[O-])cc5n4)C[C@H]3C2)cn1 ZINC001164772680 721085412 /nfs/dbraw/zinc/08/54/12/721085412.db2.gz VRNKKQMWEUFWHY-HZPDHXFCSA-N 1 0 393.451 2.230 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc5[nH]cc([N+](=O)[O-])c5n4)C[C@H]3C2)cn1 ZINC001164768294 721158865 /nfs/dbraw/zinc/15/88/65/721158865.db2.gz OEKNWYLPMFGKSC-LSDHHAIUSA-N 1 0 381.440 2.163 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc5[nH]cc([N+](=O)[O-])c5n4)C[C@@H]3C2)cn1 ZINC001164768290 721159067 /nfs/dbraw/zinc/15/90/67/721159067.db2.gz OEKNWYLPMFGKSC-GJZGRUSLSA-N 1 0 381.440 2.163 20 5 GEBDRO Cc1nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ccc1[N+](=O)[O-] ZINC001164894037 721383100 /nfs/dbraw/zinc/38/31/00/721383100.db2.gz WJJRSKLYXWRBPP-YLJYHZDGSA-N 1 0 389.500 2.064 20 5 GEBDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001165008279 721730274 /nfs/dbraw/zinc/73/02/74/721730274.db2.gz LQEQZZTZJMOMJG-UHFFFAOYSA-N 1 0 381.864 2.166 20 5 GEBDRO COc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164984754 722106117 /nfs/dbraw/zinc/10/61/17/722106117.db2.gz UVAOGCRFIIDNGV-AEFFLSMTSA-N 1 0 399.451 2.121 20 5 GEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165002721 722254137 /nfs/dbraw/zinc/25/41/37/722254137.db2.gz UBKYEPANNCBIGA-UHFFFAOYSA-N 1 0 388.472 2.292 20 5 GEBDRO CN1CC[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000159779826 531793681 /nfs/dbraw/zinc/79/36/81/531793681.db2.gz ZBFWAXGWUIKSQK-UHFFFAOYSA-N 1 0 399.289 2.115 20 5 GEBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000162163756 531834750 /nfs/dbraw/zinc/83/47/50/531834750.db2.gz DTYYKJIPPOVIDG-LLVKDONJSA-N 1 0 392.275 2.120 20 5 GEBDRO Cc1c(Br)cc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000121320443 532023767 /nfs/dbraw/zinc/02/37/67/532023767.db2.gz HSXMWTNNMULZDR-NSHDSACASA-N 1 0 399.289 2.031 20 5 GEBDRO COc1ccc([C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1Br ZINC000174693070 532073833 /nfs/dbraw/zinc/07/38/33/532073833.db2.gz OCSWXXHPLGIEME-GXFFZTMASA-N 1 0 399.245 2.274 20 5 GEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177108148 532161562 /nfs/dbraw/zinc/16/15/62/532161562.db2.gz OSTYKLAFLCXCRP-LBPRGKRZSA-N 1 0 386.246 2.198 20 5 GEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178111974 532193710 /nfs/dbraw/zinc/19/37/10/532193710.db2.gz HHXCUFNETUDAEC-LBPRGKRZSA-N 1 0 398.257 2.152 20 5 GEBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc(C(F)(F)F)cs1 ZINC000185923190 532338970 /nfs/dbraw/zinc/33/89/70/532338970.db2.gz YBSIABRWAWZGFC-UWVGGRQHSA-N 1 0 379.364 2.368 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cccc(Br)c2Cl)c1 ZINC000517732698 532425715 /nfs/dbraw/zinc/42/57/15/532425715.db2.gz JHNKXXXZRLQXAY-LLVKDONJSA-N 1 0 389.637 2.358 20 5 GEBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000373172341 532436152 /nfs/dbraw/zinc/43/61/52/532436152.db2.gz IPNOVZKNEXNQRA-ILWJIGKKSA-N 1 0 390.259 2.000 20 5 GEBDRO CC[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592382294 532453080 /nfs/dbraw/zinc/45/30/80/532453080.db2.gz OGTHJLMUJGSVNZ-GXSJLCMTSA-N 1 0 392.275 2.105 20 5 GEBDRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429332117 532473375 /nfs/dbraw/zinc/47/33/75/532473375.db2.gz SFSWZCKVBYCEEQ-QWRGUYRKSA-N 1 0 392.275 2.118 20 5 GEBDRO CC(C)[C@](C)([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(N)=O ZINC000562684247 532476882 /nfs/dbraw/zinc/47/68/82/532476882.db2.gz SLLDQJRBIOLMCP-ZDUSSCGKSA-N 1 0 391.209 2.189 20 5 GEBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000565362003 532558241 /nfs/dbraw/zinc/55/82/41/532558241.db2.gz NGBIPTGHSXTXSR-NSHDSACASA-N 1 0 389.193 2.023 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)c1 ZINC000565946596 532586276 /nfs/dbraw/zinc/58/62/76/532586276.db2.gz YFXUWNNJZFMUGY-QMTHXVAHSA-N 1 0 399.220 2.331 20 5 GEBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@]2(N3CCOCC3)CCSC2)s1 ZINC000376075646 532593919 /nfs/dbraw/zinc/59/39/19/532593919.db2.gz XSPZPXQXLTVSAC-OAHLLOKOSA-N 1 0 381.483 2.219 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccccc2Br)c1 ZINC000566124003 532594678 /nfs/dbraw/zinc/59/46/78/532594678.db2.gz GIBYWOUWUAXUIQ-CORIIIEPSA-N 1 0 381.230 2.060 20 5 GEBDRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1c1ccccc1 ZINC000261728663 532577990 /nfs/dbraw/zinc/57/79/90/532577990.db2.gz ODGPPFDEBOVPEW-DZGCQCFKSA-N 1 0 381.841 2.364 20 5 GEBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)CC(C)(C)[NH3+] ZINC000595934528 532578468 /nfs/dbraw/zinc/57/84/68/532578468.db2.gz NRXHGQGAJOZULM-UHFFFAOYSA-N 1 0 391.209 2.317 20 5 GEBDRO CN(CC(C)(C)[NH3+])C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000595947689 532580406 /nfs/dbraw/zinc/58/04/06/532580406.db2.gz VHXYUDAGRMQPAB-UHFFFAOYSA-N 1 0 377.182 2.009 20 5 GEBDRO C[C@@H]1[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)[C@H]1C ZINC000262906994 532607157 /nfs/dbraw/zinc/60/71/57/532607157.db2.gz YFGNSAOHTCXOPY-IUCAKERBSA-N 1 0 389.193 2.022 20 5 GEBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)CC[NH2+]1 ZINC000262932316 532607546 /nfs/dbraw/zinc/60/75/46/532607546.db2.gz SUPDAMACRVDBDO-DTWKUNHWSA-N 1 0 389.193 2.070 20 5 GEBDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000298521174 532656280 /nfs/dbraw/zinc/65/62/80/532656280.db2.gz IJUZOWRRWLNHLP-LLVKDONJSA-N 1 0 376.240 2.478 20 5 GEBDRO Cc1c(Br)cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000378256824 532686605 /nfs/dbraw/zinc/68/66/05/532686605.db2.gz ZOMZTBDCUVFYQH-STQMWFEESA-N 1 0 398.257 2.259 20 5 GEBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000440088475 532707055 /nfs/dbraw/zinc/70/70/55/532707055.db2.gz AAEOXXQDDQUJKE-SNVBAGLBSA-N 1 0 394.291 2.366 20 5 GEBDRO CCC([NH3+])(CC)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440404974 532713272 /nfs/dbraw/zinc/71/32/72/532713272.db2.gz GWTCYMMYDDWSSR-UHFFFAOYSA-N 1 0 380.264 2.153 20 5 GEBDRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000440409843 532713822 /nfs/dbraw/zinc/71/38/22/532713822.db2.gz VIYITQCPGLZJLM-UWVGGRQHSA-N 1 0 392.275 2.105 20 5 GEBDRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000440426640 532714306 /nfs/dbraw/zinc/71/43/06/532714306.db2.gz QHDFJMRXRASWNU-VHSXEESVSA-N 1 0 392.275 2.105 20 5 GEBDRO CCN1CC[NH+](C[C@H](C)CNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267205951 532737978 /nfs/dbraw/zinc/73/79/78/532737978.db2.gz GRSISWNYIKNXDW-GFCCVEGCSA-N 1 0 386.294 2.438 20 5 GEBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301707607 532757994 /nfs/dbraw/zinc/75/79/94/532757994.db2.gz JCJIHVDJWRHUMV-OAHLLOKOSA-N 1 0 397.273 2.100 20 5 GEBDRO Cc1cc(Br)ccc1C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000444689865 532751138 /nfs/dbraw/zinc/75/11/38/532751138.db2.gz HRDALLDMXUAWOE-OAHLLOKOSA-N 1 0 383.246 2.355 20 5 GEBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)CC[C@@H]1[NH3+] ZINC000269308377 532780355 /nfs/dbraw/zinc/78/03/55/532780355.db2.gz ZSHCJVAOJZVCMG-PELKAZGASA-N 1 0 389.193 2.009 20 5 GEBDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554934388 532806484 /nfs/dbraw/zinc/80/64/84/532806484.db2.gz LRKRRXUTTGARMP-VIFPVBQESA-N 1 0 392.193 2.440 20 5 GEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000330592921 532821844 /nfs/dbraw/zinc/82/18/44/532821844.db2.gz PENKNEFQDAMLDH-WDEREUQCSA-N 1 0 385.262 2.320 20 5 GEBDRO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C[C@@H](O)C[NH3+] ZINC000415063830 532837157 /nfs/dbraw/zinc/83/71/57/532837157.db2.gz BCOQSZKMXLUYPF-NSHDSACASA-N 1 0 384.230 2.369 20 5 GEBDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000332089388 532848887 /nfs/dbraw/zinc/84/88/87/532848887.db2.gz UOYYEWUCIRQPBT-HZPDHXFCSA-N 1 0 385.511 2.104 20 5 GEBDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416361367 532871460 /nfs/dbraw/zinc/87/14/60/532871460.db2.gz MWCFCBBASJVXEW-UHFFFAOYSA-N 1 0 383.392 2.480 20 5 GEBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000290127898 532873244 /nfs/dbraw/zinc/87/32/44/532873244.db2.gz ZGXDDADBSKUWHM-SECBINFHSA-N 1 0 391.209 2.013 20 5 GEBDRO CC[N@H+](C)C[C@@H]1CCN(c2c(I)cncc2[N+](=O)[O-])C1 ZINC000418909245 532881646 /nfs/dbraw/zinc/88/16/46/532881646.db2.gz NSECGPGQNDWTGY-JTQLQIEISA-N 1 0 390.225 2.372 20 5 GEBDRO C[NH+](C)[C@@H]1CCCN(c2c(I)cncc2[N+](=O)[O-])C1 ZINC000418922629 532881404 /nfs/dbraw/zinc/88/14/04/532881404.db2.gz DQQFAASUDVZIPJ-SECBINFHSA-N 1 0 376.198 2.125 20 5 GEBDRO O=C(CN1CC[NH+]([C@H]2CCSC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000361943304 532894226 /nfs/dbraw/zinc/89/42/26/532894226.db2.gz KUQGJAGYMXTAGC-ZDUSSCGKSA-N 1 0 384.889 2.310 20 5 GEBDRO C[NH+](C)CCN1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291484144 532902647 /nfs/dbraw/zinc/90/26/47/532902647.db2.gz RMVXGXFITANAAA-UHFFFAOYSA-N 1 0 375.256 2.221 20 5 GEBDRO C[C@H](CCCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000293468944 532927332 /nfs/dbraw/zinc/92/73/32/532927332.db2.gz QMFULUFUMCARHO-SECBINFHSA-N 1 0 391.209 2.447 20 5 GEBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000367492577 532925691 /nfs/dbraw/zinc/92/56/91/532925691.db2.gz IQLDJCKJEJEOFX-GXTWGEPZSA-N 1 0 399.245 2.342 20 5 GEBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736266168 598870071 /nfs/dbraw/zinc/87/00/71/598870071.db2.gz GLJZEQXIXNPOTN-UONOGXRCSA-N 1 0 386.460 2.261 20 5 GEBDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000736132918 598960967 /nfs/dbraw/zinc/96/09/67/598960967.db2.gz PPGGJALURZNSSE-PXAZEXFGSA-N 1 0 393.407 2.231 20 5 GEBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+](C4CCCC4)CC3)cc(-c3nn[nH]n3)c2c1 ZINC000738367348 599268290 /nfs/dbraw/zinc/26/82/90/599268290.db2.gz RGZVIUIZIIJTHY-UHFFFAOYSA-N 1 0 394.439 2.388 20 5 GEBDRO O=[N+]([O-])c1cnc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c(-c2nn[nH]n2)c1 ZINC000823651443 599278085 /nfs/dbraw/zinc/27/80/85/599278085.db2.gz JSVKAASPCYDLII-INIZCTEOSA-N 1 0 380.412 2.419 20 5 GEBDRO COc1cccc([C@H](CNc2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)[NH+](C)C)c1 ZINC000826214242 607448880 /nfs/dbraw/zinc/44/88/80/607448880.db2.gz FXKAJKIJEZNEGJ-KRWDZBQOSA-N 1 0 383.412 2.498 20 5 GEBDRO CC[N@@H+]1CCC[C@H]1CN(C)c1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821266665 606141902 /nfs/dbraw/zinc/14/19/02/606141902.db2.gz GBEGTCXUERDWEE-ZDUSSCGKSA-N 1 0 382.428 2.244 20 5 GEBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCc1ccc(-n2ccnc2)c(F)c1 ZINC000823624554 606701708 /nfs/dbraw/zinc/70/17/08/606701708.db2.gz CJLKVCYHPYNGBJ-UHFFFAOYSA-N 1 0 381.331 2.107 20 5 GEBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000823620316 606710936 /nfs/dbraw/zinc/71/09/36/606710936.db2.gz KEZYXSCDPMMIHQ-CQSZACIVSA-N 1 0 380.412 2.246 20 5 GEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820760961 606714992 /nfs/dbraw/zinc/71/49/92/606714992.db2.gz UOSNWXZWAOESFY-CZUORRHYSA-N 1 0 394.439 2.492 20 5 GEBDRO CCc1ccc([C@@H](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000821480779 607162779 /nfs/dbraw/zinc/16/27/79/607162779.db2.gz FAFWGXGWJHKNJA-OAHLLOKOSA-N 1 0 382.428 2.447 20 5 GEBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)c([N+](=O)[O-])c1 ZINC000826209768 608469642 /nfs/dbraw/zinc/46/96/42/608469642.db2.gz PMMHYZAJZPHXPC-LLVKDONJSA-N 1 0 397.395 2.073 20 5 GEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826272636 608487932 /nfs/dbraw/zinc/48/79/32/608487932.db2.gz UGZYZRZPKSSPSN-GFCCVEGCSA-N 1 0 381.396 2.373 20 5 GEBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825139668 608552274 /nfs/dbraw/zinc/55/22/74/608552274.db2.gz GGEUPEHNOYTORV-MRXNPFEDSA-N 1 0 381.396 2.454 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000447246331 650003288 /nfs/dbraw/zinc/00/32/88/650003288.db2.gz OSGLWBGEYUSUNM-SCZZXKLOSA-N 1 0 392.275 2.024 20 5 GEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000449717307 650047494 /nfs/dbraw/zinc/04/74/94/650047494.db2.gz MRKSKIMBROLIDD-RKDXNWHRSA-N 1 0 389.193 2.057 20 5 GEBDRO COc1ccc(CSCC(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000449720726 650047824 /nfs/dbraw/zinc/04/78/24/650047824.db2.gz NJNSJMJURAAEDZ-GFCCVEGCSA-N 1 0 381.376 2.233 20 5 GEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCCC[N@H+]1CCO ZINC000452795645 650197725 /nfs/dbraw/zinc/19/77/25/650197725.db2.gz JQWLXRRYEBHRHX-CYBMUJFWSA-N 1 0 387.889 2.303 20 5 GEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H](O)[C@H](CO)C3)o2)c(Br)c1 ZINC000459702146 650430011 /nfs/dbraw/zinc/43/00/11/650430011.db2.gz KZGQHUQKWCTWLR-ZUZCIYMTSA-N 1 0 397.225 2.402 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000461894809 650462116 /nfs/dbraw/zinc/46/21/16/650462116.db2.gz PRYOHLIAGJAFAE-CYBMUJFWSA-N 1 0 392.275 2.024 20 5 GEBDRO COCC1(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000514855534 650580938 /nfs/dbraw/zinc/58/09/38/650580938.db2.gz LZGNSNGIDVBHNY-UHFFFAOYSA-N 1 0 387.889 2.473 20 5 GEBDRO C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2I)CC1 ZINC000037286258 642512560 /nfs/dbraw/zinc/51/25/60/642512560.db2.gz MQBRPKPCDFSECQ-UHFFFAOYSA-N 1 0 389.193 2.023 20 5 GEBDRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000533328759 650759862 /nfs/dbraw/zinc/75/98/62/650759862.db2.gz WHVKROZSDOFUEV-JTQLQIEISA-N 1 0 381.376 2.234 20 5 GEBDRO C[NH+](C)[C@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000109810862 643301307 /nfs/dbraw/zinc/30/13/07/643301307.db2.gz MOLMZZGDAITDSM-LBPRGKRZSA-N 1 0 385.262 2.322 20 5 GEBDRO C[NH+](C)C[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000114480537 643419347 /nfs/dbraw/zinc/41/93/47/643419347.db2.gz PWONUBRIHITOGH-NSHDSACASA-N 1 0 385.262 2.179 20 5 GEBDRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000124446081 643687054 /nfs/dbraw/zinc/68/70/54/643687054.db2.gz RSTHKYBEFNVIEP-CYBMUJFWSA-N 1 0 394.291 2.399 20 5 GEBDRO O=[N+]([O-])c1cccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)c1 ZINC000127781210 643785056 /nfs/dbraw/zinc/78/50/56/643785056.db2.gz RFECFGRRFNZDDU-UHFFFAOYSA-N 1 0 375.859 2.378 20 5 GEBDRO CC[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000163207459 644252880 /nfs/dbraw/zinc/25/28/80/644252880.db2.gz XFASFAVKZVSJRI-UHFFFAOYSA-N 1 0 381.376 2.376 20 5 GEBDRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000178922941 644444013 /nfs/dbraw/zinc/44/40/13/644444013.db2.gz PRUKEVPSPJBNLR-SECBINFHSA-N 1 0 392.275 2.105 20 5 GEBDRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000178925461 644444624 /nfs/dbraw/zinc/44/46/24/644444624.db2.gz BNGSPVJAYSYJJI-VIFPVBQESA-N 1 0 392.275 2.105 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000193460818 645275447 /nfs/dbraw/zinc/27/54/47/645275447.db2.gz BWIWSLTUQGKCMU-CABZTGNLSA-N 1 0 392.275 2.085 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)cc1Br ZINC000193754421 645296110 /nfs/dbraw/zinc/29/61/10/645296110.db2.gz YOXPZMDDNMXHBI-UHFFFAOYSA-N 1 0 392.275 2.122 20 5 GEBDRO CCC([NH3+])(CC)CNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000236808502 645418933 /nfs/dbraw/zinc/41/89/33/645418933.db2.gz MBPIHLFGRNNSTM-UHFFFAOYSA-N 1 0 391.209 2.447 20 5 GEBDRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000237427774 645431671 /nfs/dbraw/zinc/43/16/71/645431671.db2.gz VVCVTKABLHSEEY-UWVGGRQHSA-N 1 0 392.275 2.105 20 5 GEBDRO C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@@H]1C[NH3+] ZINC000237509065 645434423 /nfs/dbraw/zinc/43/44/23/645434423.db2.gz NJRLXHISTUAWMT-JOYOIKCWSA-N 1 0 381.376 2.362 20 5 GEBDRO C[C@](C[NH3+])(NC(=O)c1ccc([N+](=O)[O-])cc1I)C1CC1 ZINC000237612740 645438306 /nfs/dbraw/zinc/43/83/06/645438306.db2.gz JAQSEOPDMNWVOI-CYBMUJFWSA-N 1 0 389.193 2.057 20 5 GEBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000237834360 645444887 /nfs/dbraw/zinc/44/48/87/645444887.db2.gz CTINQUWNUBAVPY-PRHODGIISA-N 1 0 389.193 2.057 20 5 GEBDRO C[NH2+][C@H](C)Cc1noc(-c2cc([N+](=O)[O-])ccc2I)n1 ZINC000261864439 645607250 /nfs/dbraw/zinc/60/72/50/645607250.db2.gz UPVXECBSNJOHOH-SSDOTTSWSA-N 1 0 388.165 2.400 20 5 GEBDRO CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)N1CC[NH+](C)CC1 ZINC000267231114 645889867 /nfs/dbraw/zinc/88/98/67/645889867.db2.gz KZRAMLVKSPLDGO-CQSZACIVSA-N 1 0 386.294 2.436 20 5 GEBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000272286554 646263763 /nfs/dbraw/zinc/26/37/63/646263763.db2.gz PBUCDRHQHKFFBE-BDAKNGLRSA-N 1 0 389.193 2.009 20 5 GEBDRO C[NH+](C)CCn1nccc1NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000297829288 647265384 /nfs/dbraw/zinc/26/53/84/647265384.db2.gz QOFACYUNFZKMBT-UHFFFAOYSA-N 1 0 382.218 2.368 20 5 GEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000331369113 647382421 /nfs/dbraw/zinc/38/24/21/647382421.db2.gz CKCUFLNVRAZQBQ-BONVTDFDSA-N 1 0 382.258 2.499 20 5 GEBDRO O=C(NC[C@@H]1CN2CCCC[C@H]2CO1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000362719708 647572137 /nfs/dbraw/zinc/57/21/37/647572137.db2.gz NMTPWKVBLNYEHY-QWHCGFSZSA-N 1 0 398.257 2.340 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c(Cl)c1 ZINC000365544126 647675244 /nfs/dbraw/zinc/67/52/44/647675244.db2.gz FGIVBBNVBQFHNP-LNSITVRQSA-N 1 0 385.873 2.353 20 5 GEBDRO C[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C[NH3+] ZINC000420378572 648414963 /nfs/dbraw/zinc/41/49/63/648414963.db2.gz MEEUABGATVDNGQ-QWRGUYRKSA-N 1 0 385.262 2.213 20 5 GEBDRO C[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420471106 648419314 /nfs/dbraw/zinc/41/93/14/648419314.db2.gz AKAZNOOZXPGSGL-NXEZZACHSA-N 1 0 381.376 2.219 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2nc3cc(Cl)ccc3s2)c1 ZINC000555903321 651232518 /nfs/dbraw/zinc/23/25/18/651232518.db2.gz KUTQLUHGEVFRBI-LBPRGKRZSA-N 1 0 381.845 2.248 20 5 GEBDRO [NH3+]CCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000563725006 651540708 /nfs/dbraw/zinc/54/07/08/651540708.db2.gz SZZVQUVJWXWBKG-UHFFFAOYSA-N 1 0 392.275 2.107 20 5 GEBDRO O=C(C[NH2+][C@H](CO)C1CCCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000566766800 651611435 /nfs/dbraw/zinc/61/14/35/651611435.db2.gz GPBIBFSXWZIDMB-CQSZACIVSA-N 1 0 386.246 2.437 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)c1 ZINC000567582973 651627556 /nfs/dbraw/zinc/62/75/56/651627556.db2.gz IUNHFIGBQSYYDX-CQSZACIVSA-N 1 0 394.229 2.186 20 5 GEBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC[N@@H+](CCO)CC1 ZINC000610076306 651643908 /nfs/dbraw/zinc/64/39/08/651643908.db2.gz ZCRJIDMPESRAJI-UHFFFAOYSA-N 1 0 395.257 2.410 20 5 GEBDRO C[C@H](Cc1ccsc1)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000571752755 651851436 /nfs/dbraw/zinc/85/14/36/651851436.db2.gz QZOASIQXXKVJJW-CYBMUJFWSA-N 1 0 383.495 2.498 20 5 GEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)c1 ZINC000573556874 651964409 /nfs/dbraw/zinc/96/44/09/651964409.db2.gz ILYJKHIULMXYBI-LBPRGKRZSA-N 1 0 375.212 2.128 20 5 GEBDRO CSC1(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000573618591 651969421 /nfs/dbraw/zinc/96/94/21/651969421.db2.gz UZBCCAHYOYSFFS-UHFFFAOYSA-N 1 0 379.529 2.299 20 5 GEBDRO CSC[C@@H](CCO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000574441386 652021701 /nfs/dbraw/zinc/02/17/01/652021701.db2.gz KNOBQJSVVQRUTH-LLVKDONJSA-N 1 0 396.250 2.403 20 5 GEBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c(Br)c1 ZINC000574703862 652037544 /nfs/dbraw/zinc/03/75/44/652037544.db2.gz OKYMHKQQVVBZGS-LBPRGKRZSA-N 1 0 385.262 2.443 20 5 GEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000576389500 652112426 /nfs/dbraw/zinc/11/24/26/652112426.db2.gz YPQZPOYJQNULQC-IUCAKERBSA-N 1 0 389.193 2.009 20 5 GEBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000576872524 652149842 /nfs/dbraw/zinc/14/98/42/652149842.db2.gz RHCRQGFZPBDPIO-QMMMGPOBSA-N 1 0 391.209 2.093 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000580550453 652383180 /nfs/dbraw/zinc/38/31/80/652383180.db2.gz IQGKODYNUZBJBN-BDAKNGLRSA-N 1 0 380.253 2.132 20 5 GEBDRO C[C@@H](CNC(=O)c1cc(I)cc([N+](=O)[O-])c1)C[NH+](C)C ZINC000590041987 652573371 /nfs/dbraw/zinc/57/33/71/652573371.db2.gz LBKMZKMEHMJRMX-VIFPVBQESA-N 1 0 391.209 2.127 20 5 GEBDRO C[C@H]1[NH2+]CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)[C@@H]1C ZINC000592547124 652599629 /nfs/dbraw/zinc/59/96/29/652599629.db2.gz NXQCEBKEGAGWAN-RKDXNWHRSA-N 1 0 389.193 2.022 20 5 GEBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])CCO2 ZINC000592899460 652607417 /nfs/dbraw/zinc/60/74/17/652607417.db2.gz SNRXJPQLHCXGQH-UHFFFAOYSA-N 1 0 398.257 2.294 20 5 GEBDRO Cc1cc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cnc1Cl ZINC000760662259 652619998 /nfs/dbraw/zinc/61/99/98/652619998.db2.gz IDIWWXIOTAIXHK-UHFFFAOYSA-N 1 0 384.845 2.020 20 5 GEBDRO Cc1cc(Br)c(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000594733518 652678283 /nfs/dbraw/zinc/67/82/83/652678283.db2.gz XBKZNGMMRFNPFR-SNVBAGLBSA-N 1 0 375.248 2.074 20 5 GEBDRO Cc1cc(Br)c(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000594733517 652678402 /nfs/dbraw/zinc/67/84/02/652678402.db2.gz XBKZNGMMRFNPFR-JTQLQIEISA-N 1 0 375.248 2.074 20 5 GEBDRO Cc1c(C[NH3+])c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)nn1C ZINC000595960039 652743573 /nfs/dbraw/zinc/74/35/73/652743573.db2.gz SDRLWZYKZDZWSJ-UHFFFAOYSA-N 1 0 382.218 2.039 20 5 GEBDRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000596051050 652752253 /nfs/dbraw/zinc/75/22/53/652752253.db2.gz LEDYESHLKAXPNG-VIFPVBQESA-N 1 0 395.281 2.124 20 5 GEBDRO C[C@H](CCNC(=O)c1cc(I)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000597991315 652795281 /nfs/dbraw/zinc/79/52/81/652795281.db2.gz DGWWCOZSSRZLMX-SECBINFHSA-N 1 0 391.209 2.269 20 5 GEBDRO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1I)[NH+](C)C ZINC000597990939 652795327 /nfs/dbraw/zinc/79/53/27/652795327.db2.gz BFNZAIPOTQNYQY-SECBINFHSA-N 1 0 391.209 2.269 20 5 GEBDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000765197869 652830303 /nfs/dbraw/zinc/83/03/03/652830303.db2.gz QZNUSXMFJTVQOI-UHFFFAOYSA-N 1 0 394.291 2.320 20 5 GEBDRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C2 ZINC000598725342 652831470 /nfs/dbraw/zinc/83/14/70/652831470.db2.gz OABCGGAVFWBRJW-RNCFNFMXSA-N 1 0 379.360 2.116 20 5 GEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000599102889 652849558 /nfs/dbraw/zinc/84/95/58/652849558.db2.gz QTDAZQWKSAMGQE-JQWIXIFHSA-N 1 0 381.376 2.051 20 5 GEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000599102891 652849630 /nfs/dbraw/zinc/84/96/30/652849630.db2.gz QTDAZQWKSAMGQE-PWSUYJOCSA-N 1 0 381.376 2.051 20 5 GEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000599103250 652849716 /nfs/dbraw/zinc/84/97/16/652849716.db2.gz PXOICCDCMDXVIN-LBPRGKRZSA-N 1 0 379.360 2.177 20 5 GEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000599103889 652850023 /nfs/dbraw/zinc/85/00/23/652850023.db2.gz UPYQNHYYYVMKQL-JQWIXIFHSA-N 1 0 381.376 2.051 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599103278 652850151 /nfs/dbraw/zinc/85/01/51/652850151.db2.gz IEHRHWOVSJTJHE-PSASIEDQSA-N 1 0 392.275 2.085 20 5 GEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000599104763 652850217 /nfs/dbraw/zinc/85/02/17/652850217.db2.gz XIRYYGBCHTUXHV-QWRGUYRKSA-N 1 0 381.376 2.051 20 5 GEBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599430994 652871013 /nfs/dbraw/zinc/87/10/13/652871013.db2.gz KAHNOPQFASPTRC-UHFFFAOYSA-N 1 0 399.289 2.067 20 5 GEBDRO C[NH2+]CCOCCN(C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000599603217 652879680 /nfs/dbraw/zinc/87/96/80/652879680.db2.gz CIXLVBHUBFAZGL-UHFFFAOYSA-N 1 0 375.223 2.057 20 5 GEBDRO Cc1c(NC(=O)N(C)CCOCC[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000599607301 652880326 /nfs/dbraw/zinc/88/03/26/652880326.db2.gz VUFFSBPTJNONBI-UHFFFAOYSA-N 1 0 375.223 2.105 20 5 GEBDRO C[N@@H+]1CC[C@H](Cn2nnnc2Sc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000767809126 652951152 /nfs/dbraw/zinc/95/11/52/652951152.db2.gz YRBNBGHALLBCPG-VIFPVBQESA-N 1 0 377.455 2.294 20 5 GEBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000807271213 653188486 /nfs/dbraw/zinc/18/84/86/653188486.db2.gz PAOQJOCFSQOHNR-GFCCVEGCSA-N 1 0 399.289 2.394 20 5 GEBDRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)CC1 ZINC000602605262 653193985 /nfs/dbraw/zinc/19/39/85/653193985.db2.gz XICBIXJISWNGPL-KYZUINATSA-N 1 0 389.193 2.199 20 5 GEBDRO O=[N+]([O-])c1sc(C[NH2+]CC2(N3CCOCC3)CC2)cc1Br ZINC000602631725 653196513 /nfs/dbraw/zinc/19/65/13/653196513.db2.gz GXJQCWIUNDPGHK-UHFFFAOYSA-N 1 0 376.276 2.373 20 5 GEBDRO [NH3+]CCCCCCNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000700979204 653318649 /nfs/dbraw/zinc/31/86/49/653318649.db2.gz SLUKGJJEMVWKIP-UHFFFAOYSA-N 1 0 391.209 2.448 20 5 GEBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000701035690 653319151 /nfs/dbraw/zinc/31/91/51/653319151.db2.gz YVLAZERMEWPAEP-IUCAKERBSA-N 1 0 389.193 2.009 20 5 GEBDRO O=C1O[C@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CN1C1CC1 ZINC000877621131 653614286 /nfs/dbraw/zinc/61/42/86/653614286.db2.gz OIUZSGFRJIVLOS-MRVPVSSYSA-N 1 0 376.232 2.492 20 5 GEBDRO O=[N+]([O-])c1cccc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1Br ZINC000839481968 653650983 /nfs/dbraw/zinc/65/09/83/653650983.db2.gz VVBFWBCPKZLXID-ZFWWWQNUSA-N 1 0 384.274 2.388 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H](O)c2cccc(Cl)c2)cc1 ZINC000783909826 653686758 /nfs/dbraw/zinc/68/67/58/653686758.db2.gz PTHNKHFJUPHSOW-MRXNPFEDSA-N 1 0 384.841 2.345 20 5 GEBDRO C[C@@H](C[NH3+])N(C)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841234386 653711624 /nfs/dbraw/zinc/71/16/24/653711624.db2.gz OLNWFVXYISWALY-ZETCQYMHSA-N 1 0 378.170 2.010 20 5 GEBDRO O=C(N[C@H]1CCC[NH2+]C1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841943466 653742766 /nfs/dbraw/zinc/74/27/66/653742766.db2.gz OHAHWUKDOFPURS-JTQLQIEISA-N 1 0 383.246 2.177 20 5 GEBDRO [NH3+][C@H](CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1CC1 ZINC000841966118 653742898 /nfs/dbraw/zinc/74/28/98/653742898.db2.gz QRDKGSXVUXYJHD-CYBMUJFWSA-N 1 0 383.246 2.162 20 5 GEBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841989424 653743137 /nfs/dbraw/zinc/74/31/37/653743137.db2.gz OXOTZECYSCAONK-QMTHXVAHSA-N 1 0 397.273 2.423 20 5 GEBDRO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000842483381 653758160 /nfs/dbraw/zinc/75/81/60/653758160.db2.gz JOHOHBFWXSVICC-LLVKDONJSA-N 1 0 380.264 2.009 20 5 GEBDRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000819912288 653762160 /nfs/dbraw/zinc/76/21/60/653762160.db2.gz RIEGEMGLDALJFX-TVQRCGJNSA-N 1 0 377.825 2.102 20 5 GEBDRO C[C@@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000842699321 653763622 /nfs/dbraw/zinc/76/36/22/653763622.db2.gz KULXWPARDPOXIL-NXEZZACHSA-N 1 0 392.275 2.024 20 5 GEBDRO CC[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000842792010 653767563 /nfs/dbraw/zinc/76/75/63/653767563.db2.gz DIFWVBXEVQDNCY-GXSJLCMTSA-N 1 0 392.275 2.105 20 5 GEBDRO CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[C@@H]1[NH3+] ZINC000842792741 653767691 /nfs/dbraw/zinc/76/76/91/653767691.db2.gz LWSLHPPHEFLPKH-SKDRFNHKSA-N 1 0 392.275 2.105 20 5 GEBDRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000842859080 653770812 /nfs/dbraw/zinc/77/08/12/653770812.db2.gz CMULABNVZIETQU-SNVBAGLBSA-N 1 0 392.275 2.249 20 5 GEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000843042925 653777817 /nfs/dbraw/zinc/77/78/17/653777817.db2.gz XFTNYAFVGQGRCC-JGVFFNPUSA-N 1 0 392.197 2.447 20 5 GEBDRO CCN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000821401483 653797591 /nfs/dbraw/zinc/79/75/91/653797591.db2.gz USNZVGDOPPULEH-UHFFFAOYSA-N 1 0 385.262 2.496 20 5 GEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000866541126 653801308 /nfs/dbraw/zinc/80/13/08/653801308.db2.gz WTDVVFIBIJVFEZ-IINYFYTJSA-N 1 0 382.258 2.499 20 5 GEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000866541125 653801339 /nfs/dbraw/zinc/80/13/39/653801339.db2.gz WTDVVFIBIJVFEZ-HZMBPMFUSA-N 1 0 382.258 2.499 20 5 GEBDRO C[NH+](C)CCCOC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000792089401 653834656 /nfs/dbraw/zinc/83/46/56/653834656.db2.gz VPCGSBQNGHCDLL-UHFFFAOYSA-N 1 0 378.166 2.308 20 5 GEBDRO CN(CCN1CCCCC1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000846039835 653884454 /nfs/dbraw/zinc/88/44/54/653884454.db2.gz ULYDEDYTBAXHPW-UHFFFAOYSA-N 1 0 379.841 2.494 20 5 GEBDRO O=[N+]([O-])c1cc(S(=O)(=O)NCCC2CC[NH2+]CC2)ccc1Br ZINC000846235520 653892744 /nfs/dbraw/zinc/89/27/44/653892744.db2.gz XNEFHSNIIALMJY-UHFFFAOYSA-N 1 0 392.275 2.025 20 5 GEBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884957332 653898086 /nfs/dbraw/zinc/89/80/86/653898086.db2.gz OHDPLSHSTPVLEP-VHSXEESVSA-N 1 0 377.825 2.292 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000795796333 653967268 /nfs/dbraw/zinc/96/72/68/653967268.db2.gz OHRDPRBDMYLUES-RYUDHWBXSA-N 1 0 377.825 2.292 20 5 GEBDRO C[NH+](C)[C@]1(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCSC1 ZINC000795872463 653973472 /nfs/dbraw/zinc/97/34/72/653973472.db2.gz HVBKJTRFAUYGAX-ZDUSSCGKSA-N 1 0 397.881 2.103 20 5 GEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795887476 653975207 /nfs/dbraw/zinc/97/52/07/653975207.db2.gz AMUVKGCGWBCIJV-GWCFXTLKSA-N 1 0 391.852 2.492 20 5 GEBDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000867810114 653991112 /nfs/dbraw/zinc/99/11/12/653991112.db2.gz XDBDAFCRTIGOMO-CABZTGNLSA-N 1 0 377.825 2.102 20 5 GEBDRO CN(CC(=O)NC[C@H]1CCC[N@@H+]1C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796436835 653997820 /nfs/dbraw/zinc/99/78/20/653997820.db2.gz YOUVJGULEDOIPS-GFCCVEGCSA-N 1 0 385.262 2.004 20 5 GEBDRO C[C@H]1C[C@H](NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000796640547 654002872 /nfs/dbraw/zinc/00/28/72/654002872.db2.gz SCAUNXSULBZLIX-WCQYABFASA-N 1 0 399.289 2.392 20 5 GEBDRO C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000900810942 654081972 /nfs/dbraw/zinc/08/19/72/654081972.db2.gz IVBYFZVIOZQWLF-TVQRCGJNSA-N 1 0 375.256 2.266 20 5 GEBDRO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000917650746 654129784 /nfs/dbraw/zinc/12/97/84/654129784.db2.gz YNEXUSQANJWMCA-JTQLQIEISA-N 1 0 394.291 2.366 20 5 GEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889767604 654170635 /nfs/dbraw/zinc/17/06/35/654170635.db2.gz IDIOFLUYUMKGOW-KBPBESRZSA-N 1 0 398.257 2.029 20 5 GEBDRO CC[N@@H+]1CCN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000802862746 654247336 /nfs/dbraw/zinc/24/73/36/654247336.db2.gz GOASNOYNWXMMGU-LBPRGKRZSA-N 1 0 399.289 2.346 20 5 GEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000802979425 654253596 /nfs/dbraw/zinc/25/35/96/654253596.db2.gz YNCKWLBUPWCJOS-VXGBXAGGSA-N 1 0 399.289 2.345 20 5 GEBDRO O=[N+]([O-])c1cc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1Br ZINC000852708183 654255505 /nfs/dbraw/zinc/25/55/05/654255505.db2.gz SRFQWHHOOGTSTP-CQSZACIVSA-N 1 0 384.274 2.388 20 5 GEBDRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000903575666 654259666 /nfs/dbraw/zinc/25/96/66/654259666.db2.gz QLZRBIOBCVOKGS-NSHDSACASA-N 1 0 392.275 2.120 20 5 GEBDRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000904462240 654311631 /nfs/dbraw/zinc/31/16/31/654311631.db2.gz OZSKLOBKYHZAPG-LLVKDONJSA-N 1 0 387.234 2.118 20 5 GEBDRO O=C1OC[C@@]2(C[NH2+]Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])COCCN12 ZINC000872261029 654320291 /nfs/dbraw/zinc/32/02/91/654320291.db2.gz HNFBCNWBLAYKDL-CQSZACIVSA-N 1 0 376.196 2.212 20 5 GEBDRO C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000905642316 654371670 /nfs/dbraw/zinc/37/16/70/654371670.db2.gz HHNPRDBZSSCJJB-NHYWBVRUSA-N 1 0 383.246 2.308 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCO[C@H]2CCOC2)c1 ZINC000922936905 654420774 /nfs/dbraw/zinc/42/07/74/654420774.db2.gz QKCJIZGLUHERDW-ZDUSSCGKSA-N 1 0 392.193 2.095 20 5 GEBDRO CCC[N@@H+]1CC[C@H](NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000856073724 654460140 /nfs/dbraw/zinc/46/01/40/654460140.db2.gz WCCWGFNAFZVWNL-ZDUSSCGKSA-N 1 0 399.289 2.394 20 5 GEBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000935798180 654917850 /nfs/dbraw/zinc/91/78/50/654917850.db2.gz PRRZLWQWODGJLP-UHFFFAOYSA-N 1 0 385.262 2.497 20 5 GEBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc([N+](=O)[O-])c(OC)n1)C2 ZINC001164810383 720087023 /nfs/dbraw/zinc/08/70/23/720087023.db2.gz LKBHMUAWCNCZCM-HNAYVOBHSA-N 1 0 376.457 2.183 20 5 GEBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncc([N+](=O)[O-])cc2F)CC1 ZINC001164818587 720311094 /nfs/dbraw/zinc/31/10/94/720311094.db2.gz ALZIQRGSZQKAHB-IAGOWNOFSA-N 1 0 391.447 2.040 20 5 GEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164729498 720482519 /nfs/dbraw/zinc/48/25/19/720482519.db2.gz RFCALSNDDOCCBN-HZPDHXFCSA-N 1 0 383.408 2.025 20 5 GEBDRO O=[N+]([O-])c1cnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(Cl)c1 ZINC001164734108 720551124 /nfs/dbraw/zinc/55/11/24/720551124.db2.gz UUMSXUPRERTFNS-UHFFFAOYSA-N 1 0 376.848 2.498 20 5 GEBDRO Cc1cc([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1Cl ZINC001164737250 720668187 /nfs/dbraw/zinc/66/81/87/720668187.db2.gz DUMSXUJEXGDKDC-CHWSQXEVSA-N 1 0 390.831 2.084 20 5 GEBDRO O=[N+]([O-])c1cccc2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc21 ZINC001164736683 720685697 /nfs/dbraw/zinc/68/56/97/720685697.db2.gz AKPZASOTNVVSOL-HZPDHXFCSA-N 1 0 392.419 2.275 20 5 GEBDRO Cc1nc(Cl)nc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164762980 721074984 /nfs/dbraw/zinc/07/49/84/721074984.db2.gz FPWLKYRFSUWYRB-ZIAGYGMSSA-N 1 0 391.863 2.038 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cnc5ccc([N+](=O)[O-])cc5n4)C[C@@H]3C2)cn1 ZINC001164772678 721086232 /nfs/dbraw/zinc/08/62/32/721086232.db2.gz VRNKKQMWEUFWHY-CVEARBPZSA-N 1 0 393.451 2.230 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(Cl)ncc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164761586 721089724 /nfs/dbraw/zinc/08/97/24/721089724.db2.gz CAZFBSAKTFYWKA-KGLIPLIRSA-N 1 0 376.848 2.335 20 5 GEBDRO O=[N+]([O-])c1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc2[nH]ccc21 ZINC001164867695 721117337 /nfs/dbraw/zinc/11/73/37/721117337.db2.gz ZPIHOCATUASVIL-CVEARBPZSA-N 1 0 394.435 2.346 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc5[nH]cc([N+](=O)[O-])c5n4)C[C@H]3C2)cn1 ZINC001164768292 721157872 /nfs/dbraw/zinc/15/78/72/721157872.db2.gz OEKNWYLPMFGKSC-HUUCEWRRSA-N 1 0 381.440 2.163 20 5 GEBDRO CCOc1nc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164773408 721171103 /nfs/dbraw/zinc/17/11/03/721171103.db2.gz XDIPUFKNCWMKDH-HZPDHXFCSA-N 1 0 386.456 2.080 20 5 GEBDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncnc3cc([N+](=O)[O-])ccc32)CC1 ZINC001165011600 721735464 /nfs/dbraw/zinc/73/54/64/721735464.db2.gz SGXHDBNAOBOOTM-UHFFFAOYSA-N 1 0 398.467 2.061 20 5 GEBDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001164932464 721856470 /nfs/dbraw/zinc/85/64/70/721856470.db2.gz XYFZVLHMZKODEH-HUUCEWRRSA-N 1 0 390.875 2.406 20 5 GEBDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001164934772 721883545 /nfs/dbraw/zinc/88/35/45/721883545.db2.gz TXIIASJVWPSCNL-RTBURBONSA-N 1 0 382.468 2.266 20 5 GEBDRO Nc1cc([N+](=O)[O-])cnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961500 722059178 /nfs/dbraw/zinc/05/91/78/722059178.db2.gz KWCMLZCARZXALW-UHFFFAOYSA-N 1 0 398.467 2.086 20 5 GEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982807 722101381 /nfs/dbraw/zinc/10/13/81/722101381.db2.gz PEHAQPRLMBULJF-IEBWSBKVSA-N 1 0 383.452 2.421 20 5 GEBDRO Cc1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164977266 722106591 /nfs/dbraw/zinc/10/65/91/722106591.db2.gz FNFKRDVONFIISE-ROUUACIJSA-N 1 0 383.452 2.421 20 5 GEBDRO Cc1c(C)c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)ncc1[N+](=O)[O-] ZINC001165001612 722254040 /nfs/dbraw/zinc/25/40/40/722254040.db2.gz CVOGIVILCQAXIO-UHFFFAOYSA-N 1 0 388.472 2.292 20 5 GEBDRO Nc1cc(N)[nH+]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000006615098 531528508 /nfs/dbraw/zinc/52/85/08/531528508.db2.gz IVPYXIWJWOIIHL-UHFFFAOYSA-N 1 0 399.230 2.043 20 5 GEBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000152597360 531561218 /nfs/dbraw/zinc/56/12/18/531561218.db2.gz COXWGIJXMXIMNE-CYBMUJFWSA-N 1 0 394.653 2.053 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)NCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000155617450 531692282 /nfs/dbraw/zinc/69/22/82/531692282.db2.gz BDDVCZNASRQQTB-UHFFFAOYSA-N 1 0 394.291 2.284 20 5 GEBDRO CC1(C)CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000157211469 531733874 /nfs/dbraw/zinc/73/38/74/531733874.db2.gz XWUOAZVBXISZAD-UHFFFAOYSA-N 1 0 389.193 2.023 20 5 GEBDRO Cc1sc(S(=O)(=O)N2CCC[C@@H](Cc3nccn3C)C2)cc1[N+](=O)[O-] ZINC000125627635 532139445 /nfs/dbraw/zinc/13/94/45/532139445.db2.gz OPCMYKCRZQZZNS-LBPRGKRZSA-N 1 0 384.483 2.342 20 5 GEBDRO Cc1sc(S(=O)(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000125519272 532137270 /nfs/dbraw/zinc/13/72/70/532137270.db2.gz QPBFFIZFJJFZSD-TXEJJXNPSA-N 1 0 391.515 2.132 20 5 GEBDRO CC(C)c1ncc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000131695979 532202717 /nfs/dbraw/zinc/20/27/17/532202717.db2.gz OYMNDZIOGQJJEW-UHFFFAOYSA-N 1 0 384.483 2.243 20 5 GEBDRO COc1ccsc1[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000186213849 532340048 /nfs/dbraw/zinc/34/00/48/532340048.db2.gz NSRHRUSAFWTVCK-LLVKDONJSA-N 1 0 385.467 2.294 20 5 GEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H](O)C[NH+]1CCCCC1 ZINC000183662765 532327592 /nfs/dbraw/zinc/32/75/92/532327592.db2.gz KCQVRFLMTJDSHT-ZDUSSCGKSA-N 1 0 387.889 2.303 20 5 GEBDRO C[C@@](C[NH3+])(NC(=O)c1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000516453524 532386495 /nfs/dbraw/zinc/38/64/95/532386495.db2.gz PUUOAPCYGSAZOA-ZDUSSCGKSA-N 1 0 389.193 2.057 20 5 GEBDRO COCC[C@@H](COC)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000516860088 532394178 /nfs/dbraw/zinc/39/41/78/532394178.db2.gz ZRWCQQQJCIECDF-LBPRGKRZSA-N 1 0 394.209 2.341 20 5 GEBDRO Cc1c(Br)c(N2CCOC3(CC[NH+](C)CC3)C2)ncc1[N+](=O)[O-] ZINC000591990475 532431158 /nfs/dbraw/zinc/43/11/58/532431158.db2.gz AOVUBHKPZMIWSG-UHFFFAOYSA-N 1 0 385.262 2.362 20 5 GEBDRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000373173285 532436757 /nfs/dbraw/zinc/43/67/57/532436757.db2.gz NHTPJCCRKGHBOS-RTCCRHLQSA-N 1 0 390.259 2.000 20 5 GEBDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000194189637 532443809 /nfs/dbraw/zinc/44/38/09/532443809.db2.gz HBOHVARGQVZRIT-UHFFFAOYSA-N 1 0 392.275 2.072 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)c1 ZINC000519640089 532472965 /nfs/dbraw/zinc/47/29/65/532472965.db2.gz ZCHQQWSNCMGNGV-XNRPHZJLSA-N 1 0 395.257 2.451 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000236673565 532493557 /nfs/dbraw/zinc/49/35/57/532493557.db2.gz XRKKFJSGZJIFGZ-JTQLQIEISA-N 1 0 394.291 2.317 20 5 GEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000430586753 532502009 /nfs/dbraw/zinc/50/20/09/532502009.db2.gz XHNVLAJLZAQTLR-GHMZBOCLSA-N 1 0 385.262 2.355 20 5 GEBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NC[C@H]([NH3+])C(C)C ZINC000564943656 532539107 /nfs/dbraw/zinc/53/91/07/532539107.db2.gz GDEVBZITIBIKOM-LBPRGKRZSA-N 1 0 391.209 2.221 20 5 GEBDRO C[N@@H+]1CCO[C@H]2CN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])C[C@@H]21 ZINC000471691648 532556979 /nfs/dbraw/zinc/55/69/79/532556979.db2.gz GWUKMCYICQKABF-GJZGRUSLSA-N 1 0 393.241 2.425 20 5 GEBDRO C[N@@H+]1CCO[C@H]2CN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])C[C@H]21 ZINC000471691647 532557132 /nfs/dbraw/zinc/55/71/32/532557132.db2.gz GWUKMCYICQKABF-CABCVRRESA-N 1 0 393.241 2.425 20 5 GEBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000297410123 532589029 /nfs/dbraw/zinc/58/90/29/532589029.db2.gz QLFPRHHSBJYFKG-PRHODGIISA-N 1 0 389.193 2.151 20 5 GEBDRO Cc1c(Br)c(N[C@H](C)CC[NH+]2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000472683243 532580538 /nfs/dbraw/zinc/58/05/38/532580538.db2.gz LXKAAKWSVACATR-LLVKDONJSA-N 1 0 386.294 2.499 20 5 GEBDRO CN(Cc1cc(I)cc([N+](=O)[O-])c1)CC1C[NH+](C)C1 ZINC000597206252 532614169 /nfs/dbraw/zinc/61/41/69/532614169.db2.gz NJVPZWNZNBPZPB-UHFFFAOYSA-N 1 0 375.210 2.193 20 5 GEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000262757499 532600095 /nfs/dbraw/zinc/60/00/95/532600095.db2.gz PYKUWMWNXUEEKC-NXEZZACHSA-N 1 0 381.376 2.362 20 5 GEBDRO O=C(CN(C1CC1)[C@@H]1CC[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000435241654 532610533 /nfs/dbraw/zinc/61/05/33/532610533.db2.gz VRTMISALULPXFB-GFCCVEGCSA-N 1 0 383.246 2.122 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)c1 ZINC000285486899 532684254 /nfs/dbraw/zinc/68/42/54/532684254.db2.gz IKGRZHLKMQJYKG-DOMZBBRYSA-N 1 0 389.239 2.172 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000439240872 532686772 /nfs/dbraw/zinc/68/67/72/532686772.db2.gz XMEVTCCDUUZXCO-SECBINFHSA-N 1 0 394.291 2.284 20 5 GEBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000264842062 532679198 /nfs/dbraw/zinc/67/91/98/532679198.db2.gz AUKJBUCCHSTDAN-VIFPVBQESA-N 1 0 391.209 2.269 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000440432640 532715091 /nfs/dbraw/zinc/71/50/91/532715091.db2.gz KGAHDCYVLOZJJF-SNVBAGLBSA-N 1 0 380.253 2.417 20 5 GEBDRO COC(=O)CC1([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000575062958 532716797 /nfs/dbraw/zinc/71/67/97/532716797.db2.gz FHNVUAWDBCQGQE-UHFFFAOYSA-N 1 0 390.177 2.385 20 5 GEBDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289424142 532854552 /nfs/dbraw/zinc/85/45/52/532854552.db2.gz CXOTVOMYRRUSSZ-ASCAZGACSA-N 1 0 382.223 2.056 20 5 GEBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000071959180 211065512 /nfs/dbraw/zinc/06/55/12/211065512.db2.gz LCGRKDFKDSPUPO-MRXNPFEDSA-N 1 0 398.463 2.305 20 5 GEBDRO CC(C)NC(=O)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289719058 532863719 /nfs/dbraw/zinc/86/37/19/532863719.db2.gz CUOZMXBYRXAGCF-UHFFFAOYSA-N 1 0 391.209 2.204 20 5 GEBDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416380639 532874057 /nfs/dbraw/zinc/87/40/57/532874057.db2.gz CBSWJAQKPZONAQ-UHFFFAOYSA-N 1 0 381.376 2.330 20 5 GEBDRO CC[N@H+](C)C[C@H]1CCN(c2c(I)cncc2[N+](=O)[O-])C1 ZINC000418909246 532881380 /nfs/dbraw/zinc/88/13/80/532881380.db2.gz NSECGPGQNDWTGY-SNVBAGLBSA-N 1 0 390.225 2.372 20 5 GEBDRO C[NH2+]CCCN(C)C(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000424015760 532894623 /nfs/dbraw/zinc/89/46/23/532894623.db2.gz AEMRRKHQNMFFLF-UHFFFAOYSA-N 1 0 391.209 2.189 20 5 GEBDRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C2)C1 ZINC000292819745 532918889 /nfs/dbraw/zinc/91/88/89/532918889.db2.gz NXOVRXVPYGODIO-HNNXBMFYSA-N 1 0 391.852 2.494 20 5 GEBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c(-c2nn[nH]n2)c1 ZINC000738374951 598944540 /nfs/dbraw/zinc/94/45/40/598944540.db2.gz UVBNQJZKTSOFQA-CQSZACIVSA-N 1 0 380.412 2.246 20 5 GEBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000736616304 599063254 /nfs/dbraw/zinc/06/32/54/599063254.db2.gz QVOOWXNZJVKMCI-ZFWWWQNUSA-N 1 0 389.460 2.324 20 5 GEBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCCCC3)CCOCC2)c(-c2nn[nH]n2)c1 ZINC000738368385 599473097 /nfs/dbraw/zinc/47/30/97/599473097.db2.gz CUQHGZKCQDDUOY-UHFFFAOYSA-N 1 0 387.444 2.222 20 5 GEBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1I ZINC000444273318 649944359 /nfs/dbraw/zinc/94/43/59/649944359.db2.gz NALPLLOSTMBMAZ-SECBINFHSA-N 1 0 389.193 2.071 20 5 GEBDRO C[C@@H]1C[N@H+](C(C)(C)CNc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000820742888 606644556 /nfs/dbraw/zinc/64/45/56/606644556.db2.gz NGMJWDKIGZKBHO-TXEJJXNPSA-N 1 0 375.433 2.075 20 5 GEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820760960 606714703 /nfs/dbraw/zinc/71/47/03/606714703.db2.gz UOSNWXZWAOESFY-CJNGLKHVSA-N 1 0 394.439 2.492 20 5 GEBDRO C[C@H]1C[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000820667429 606719127 /nfs/dbraw/zinc/71/91/27/606719127.db2.gz MFQXYXWCUXYODM-JSGCOSHPSA-N 1 0 380.412 2.245 20 5 GEBDRO C[C@@H]1C[C@@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000820667434 606719252 /nfs/dbraw/zinc/71/92/52/606719252.db2.gz MFQXYXWCUXYODM-TZMCWYRMSA-N 1 0 380.412 2.245 20 5 GEBDRO CN(c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821619481 606789277 /nfs/dbraw/zinc/78/92/77/606789277.db2.gz YUVZBTSBYUUPDM-MRXNPFEDSA-N 1 0 379.424 2.486 20 5 GEBDRO CN(c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821619243 606789610 /nfs/dbraw/zinc/78/96/10/606789610.db2.gz OWPKMESJPJANDB-MRXNPFEDSA-N 1 0 379.424 2.486 20 5 GEBDRO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000820668966 606875697 /nfs/dbraw/zinc/87/56/97/606875697.db2.gz XUESLICNYSKIKI-OCCSQVGLSA-N 1 0 380.412 2.245 20 5 GEBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000823620004 607163275 /nfs/dbraw/zinc/16/32/75/607163275.db2.gz FYQZIIDVTCFQOM-HNNXBMFYSA-N 1 0 380.412 2.419 20 5 GEBDRO CC(C)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824255188 608061603 /nfs/dbraw/zinc/06/16/03/608061603.db2.gz BXGAYPXAIBGWBT-UHFFFAOYSA-N 1 0 397.439 2.095 20 5 GEBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824585248 608462756 /nfs/dbraw/zinc/46/27/56/608462756.db2.gz OPFJQDJEXDDJCC-GFCCVEGCSA-N 1 0 381.396 2.454 20 5 GEBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447040231 649995553 /nfs/dbraw/zinc/99/55/53/649995553.db2.gz RMSXPZDNGDBONO-UHFFFAOYSA-N 1 0 394.291 2.368 20 5 GEBDRO CSCC1CCC([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000449140595 650033008 /nfs/dbraw/zinc/03/30/08/650033008.db2.gz JJYNXECIYVCOQX-UHFFFAOYSA-N 1 0 387.527 2.385 20 5 GEBDRO O=C(NCC[N@@H+]1CCCOCC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501086634 650387958 /nfs/dbraw/zinc/38/79/58/650387958.db2.gz WTMFOHOTXXZGDC-UHFFFAOYSA-N 1 0 387.234 2.201 20 5 GEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000504894058 650433560 /nfs/dbraw/zinc/43/35/60/650433560.db2.gz JSVUHZLDSPFGSH-CYBMUJFWSA-N 1 0 387.527 2.479 20 5 GEBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000516678088 650600481 /nfs/dbraw/zinc/60/04/81/650600481.db2.gz CUVOAPWVQGYGSL-NSHDSACASA-N 1 0 377.438 2.141 20 5 GEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2cc(F)cc(Cl)c2)c1 ZINC000485684440 650698720 /nfs/dbraw/zinc/69/87/20/650698720.db2.gz LVANVWSEXYUTQA-UHFFFAOYSA-N 1 0 387.820 2.455 20 5 GEBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CS1 ZINC000488408899 650745940 /nfs/dbraw/zinc/74/59/40/650745940.db2.gz GBOPXRQKWQUSSL-WFASDCNBSA-N 1 0 387.527 2.383 20 5 GEBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000532574415 650750283 /nfs/dbraw/zinc/75/02/83/650750283.db2.gz CBQYJTGTVLRYPC-CYBMUJFWSA-N 1 0 397.273 2.464 20 5 GEBDRO [NH3+]CC[C@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000489938784 650765603 /nfs/dbraw/zinc/76/56/03/650765603.db2.gz YZMTUOHWFFWKJR-LLVKDONJSA-N 1 0 385.262 2.499 20 5 GEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2ccc(Cl)c(F)c2)c1 ZINC000065978340 642893959 /nfs/dbraw/zinc/89/39/59/642893959.db2.gz RAOAUAQDVICXLV-UHFFFAOYSA-N 1 0 387.820 2.455 20 5 GEBDRO O=[N+]([O-])c1cc(S(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000120244033 643596704 /nfs/dbraw/zinc/59/67/04/643596704.db2.gz QYYBTQQCELCSSR-UHFFFAOYSA-N 1 0 382.467 2.246 20 5 GEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000540155403 650858064 /nfs/dbraw/zinc/85/80/64/650858064.db2.gz MAEBNDWQRKFLAS-TZMCWYRMSA-N 1 0 384.479 2.450 20 5 GEBDRO C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)[C@@H]1C[NH3+] ZINC000124379809 643685866 /nfs/dbraw/zinc/68/58/66/643685866.db2.gz UYKDFECZUVNVFW-TVQRCGJNSA-N 1 0 392.275 2.105 20 5 GEBDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000544747086 650951747 /nfs/dbraw/zinc/95/17/47/650951747.db2.gz WLDCFJMOFTVAKP-UHFFFAOYSA-N 1 0 394.291 2.223 20 5 GEBDRO [NH3+]C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C1CCCC1 ZINC000194775349 645348253 /nfs/dbraw/zinc/34/82/53/645348253.db2.gz UNYRPXIIBWJVJB-LBPRGKRZSA-N 1 0 392.275 2.153 20 5 GEBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000237486999 645433325 /nfs/dbraw/zinc/43/33/25/645433325.db2.gz UHSDKWFKKOUABS-BDAKNGLRSA-N 1 0 389.193 2.151 20 5 GEBDRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000237478933 645433370 /nfs/dbraw/zinc/43/33/70/645433370.db2.gz VVCVTKABLHSEEY-VHSXEESVSA-N 1 0 392.275 2.105 20 5 GEBDRO COCCN(CC[NH+](C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267906191 645933312 /nfs/dbraw/zinc/93/33/12/645933312.db2.gz AZLSUHOCVBGUQQ-UHFFFAOYSA-N 1 0 392.225 2.147 20 5 GEBDRO CCN1CC[NH+](C[C@H](C)CNc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000277153428 646383647 /nfs/dbraw/zinc/38/36/47/646383647.db2.gz RQUSCUGASIGPSS-GFCCVEGCSA-N 1 0 386.294 2.438 20 5 GEBDRO COCCC[N@H+](CCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289310674 646931418 /nfs/dbraw/zinc/93/14/18/646931418.db2.gz CQZWWPWDLLFVDP-UHFFFAOYSA-N 1 0 394.209 2.030 20 5 GEBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301907472 647276695 /nfs/dbraw/zinc/27/66/95/647276695.db2.gz AOGHBTBOPWKOPH-HNNXBMFYSA-N 1 0 397.273 2.276 20 5 GEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000331369112 647382509 /nfs/dbraw/zinc/38/25/09/647382509.db2.gz CKCUFLNVRAZQBQ-BMIGLBTASA-N 1 0 382.258 2.499 20 5 GEBDRO O=C(NCc1cnc2n1CCCC2)c1cc([N+](=O)[O-])ncc1Br ZINC000367654191 647742747 /nfs/dbraw/zinc/74/27/47/647742747.db2.gz TXRHMLSHLHDNBB-UHFFFAOYSA-N 1 0 380.202 2.215 20 5 GEBDRO C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000420474615 648420354 /nfs/dbraw/zinc/42/03/54/648420354.db2.gz FXLCPBRETSFYBY-NXEZZACHSA-N 1 0 381.376 2.219 20 5 GEBDRO C[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@H](C)[N@H+]1C ZINC000549963314 651104284 /nfs/dbraw/zinc/10/42/84/651104284.db2.gz GIAXJLWABJDHIR-PHIMTYICSA-N 1 0 385.262 2.320 20 5 GEBDRO C[NH+](C)CCn1nnnc1SCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000558831576 651286541 /nfs/dbraw/zinc/28/65/41/651286541.db2.gz KNJNNWHHRHPWSK-UHFFFAOYSA-N 1 0 376.364 2.454 20 5 GEBDRO C[NH2+][C@@H](C)c1cn(Cc2cc(I)cc([N+](=O)[O-])c2)nn1 ZINC000603237273 651473006 /nfs/dbraw/zinc/47/30/06/651473006.db2.gz PUGAHGUIEDFRJG-QMMMGPOBSA-N 1 0 387.181 2.120 20 5 GEBDRO [NH3+][C@H]1CCC[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000566223584 651604099 /nfs/dbraw/zinc/60/40/99/651604099.db2.gz RKRSZHIYGYCQKJ-KOLCDFICSA-N 1 0 381.376 2.409 20 5 GEBDRO C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000567851602 651637939 /nfs/dbraw/zinc/63/79/39/651637939.db2.gz REHYYMAHSARIPQ-VHSXEESVSA-N 1 0 381.376 2.280 20 5 GEBDRO C[NH+](C)C[C@@H]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000732803951 651675499 /nfs/dbraw/zinc/67/54/99/651675499.db2.gz QTUASMBNKHYYOF-NSHDSACASA-N 1 0 377.413 2.369 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCOc2ccc(Cl)cn2)cc1 ZINC000570274280 651757089 /nfs/dbraw/zinc/75/70/89/651757089.db2.gz ZOWMLUJQWSZLQB-UHFFFAOYSA-N 1 0 385.829 2.086 20 5 GEBDRO C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000570812134 651793638 /nfs/dbraw/zinc/79/36/38/651793638.db2.gz JRUBQICOYPDSOI-SNVBAGLBSA-N 1 0 381.376 2.376 20 5 GEBDRO C[C@@H](Cc1ccsc1)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000571752760 651851362 /nfs/dbraw/zinc/85/13/62/651851362.db2.gz QZOASIQXXKVJJW-ZDUSSCGKSA-N 1 0 383.495 2.498 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N(C)C2(C[NH3+])CCC2)cc1[N+](=O)[O-] ZINC000572403286 651890425 /nfs/dbraw/zinc/89/04/25/651890425.db2.gz AQVXPWHDBPRSHE-UHFFFAOYSA-N 1 0 392.275 2.168 20 5 GEBDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000754322024 652432939 /nfs/dbraw/zinc/43/29/39/652432939.db2.gz OSBHJIKRHUPNTM-UHFFFAOYSA-N 1 0 394.291 2.320 20 5 GEBDRO CNC(=O)[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(C)C ZINC000582210249 652440063 /nfs/dbraw/zinc/44/00/63/652440063.db2.gz GJCSKXCUIOBWFQ-LBPRGKRZSA-N 1 0 391.209 2.060 20 5 GEBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC([NH2+]CCO)CC1 ZINC000589586771 652569017 /nfs/dbraw/zinc/56/90/17/652569017.db2.gz AFTIKSWYBXYHCW-UHFFFAOYSA-N 1 0 395.257 2.456 20 5 GEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000592390461 652593247 /nfs/dbraw/zinc/59/32/47/652593247.db2.gz UXRHGDFUHKXOJK-LBPRGKRZSA-N 1 0 379.360 2.034 20 5 GEBDRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000595122381 652706253 /nfs/dbraw/zinc/70/62/53/652706253.db2.gz XWIXLSKFDJWASC-SNVBAGLBSA-N 1 0 380.264 2.009 20 5 GEBDRO O=[N+]([O-])c1cncc(Br)c1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000596267886 652756788 /nfs/dbraw/zinc/75/67/88/652756788.db2.gz BKDYIECEBXAGND-UHFFFAOYSA-N 1 0 385.262 2.443 20 5 GEBDRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C2 ZINC000598727563 652831969 /nfs/dbraw/zinc/83/19/69/652831969.db2.gz XKRVCHVJWUXPMI-OQPBUACISA-N 1 0 380.253 2.404 20 5 GEBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000765551182 652843479 /nfs/dbraw/zinc/84/34/79/652843479.db2.gz CRJBBMVYMXFPJQ-AWEZNQCLSA-N 1 0 397.273 2.100 20 5 GEBDRO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000599098782 652849116 /nfs/dbraw/zinc/84/91/16/652849116.db2.gz AVGXYJUQCJYBFM-LBPRGKRZSA-N 1 0 381.376 2.232 20 5 GEBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000600112462 652904672 /nfs/dbraw/zinc/90/46/72/652904672.db2.gz MQVJUMJCMXQHMZ-GFCCVEGCSA-N 1 0 398.257 2.029 20 5 GEBDRO CN1CC[C@@H]([NH+]2CCC(Nc3ccc([N+](=O)[O-])cc3Br)CC2)C1=O ZINC000601177232 653082493 /nfs/dbraw/zinc/08/24/93/653082493.db2.gz RKPQMRQSCHGWLA-OAHLLOKOSA-N 1 0 397.273 2.464 20 5 GEBDRO CS[C@@H]1CN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000601396532 653091019 /nfs/dbraw/zinc/09/10/19/653091019.db2.gz FPPWTVNQZJWZQE-NWDGAFQWSA-N 1 0 391.540 2.165 20 5 GEBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@H]2CCCCN2CCO)cc1Br ZINC000602675150 653200069 /nfs/dbraw/zinc/20/00/69/653200069.db2.gz RMTVDRAGVRUOMP-SNVBAGLBSA-N 1 0 378.292 2.355 20 5 GEBDRO C[N@@H+](Cc1ccc(Br)cc1F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000602927140 653215840 /nfs/dbraw/zinc/21/58/40/653215840.db2.gz WKISRBKMKBTVBX-ZDUSSCGKSA-N 1 0 387.209 2.186 20 5 GEBDRO C[C@@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C[NH+]1CCCC1 ZINC000809809192 653297277 /nfs/dbraw/zinc/29/72/77/653297277.db2.gz KPAMXBUMZLFTGC-JTQLQIEISA-N 1 0 379.841 2.398 20 5 GEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809822056 653301919 /nfs/dbraw/zinc/30/19/19/653301919.db2.gz WBSKZJZJDAHGBM-JOYOIKCWSA-N 1 0 379.841 2.348 20 5 GEBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809822249 653302362 /nfs/dbraw/zinc/30/23/62/653302362.db2.gz FIOAIDRVOYDSSZ-SNVBAGLBSA-N 1 0 379.841 2.492 20 5 GEBDRO C[NH+](C)[C@]1(CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCSC1 ZINC000809824882 653303049 /nfs/dbraw/zinc/30/30/49/653303049.db2.gz WNVOAOUJQKVGLW-ZDUSSCGKSA-N 1 0 397.881 2.103 20 5 GEBDRO CSC1(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000810084188 653322876 /nfs/dbraw/zinc/32/28/76/653322876.db2.gz UQEORWDYXDIDJK-UHFFFAOYSA-N 1 0 393.918 2.354 20 5 GEBDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000810091505 653323673 /nfs/dbraw/zinc/32/36/73/653323673.db2.gz YOMRYCGFSAWYRR-SNVBAGLBSA-N 1 0 394.291 2.364 20 5 GEBDRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1c(Br)cccc1[N+](=O)[O-] ZINC000877327696 653476192 /nfs/dbraw/zinc/47/61/92/653476192.db2.gz WZOHWWBKKOSRQH-LLVKDONJSA-N 1 0 398.257 2.246 20 5 GEBDRO C[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[NH+]1CCCC1 ZINC000780703698 653631155 /nfs/dbraw/zinc/63/11/55/653631155.db2.gz GRAIVQGDHXZHMT-JTQLQIEISA-N 1 0 392.275 2.120 20 5 GEBDRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000780867993 653634133 /nfs/dbraw/zinc/63/41/33/653634133.db2.gz UGXVBIZHCXTIKB-JTQLQIEISA-N 1 0 392.275 2.120 20 5 GEBDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000815024902 653645075 /nfs/dbraw/zinc/64/50/75/653645075.db2.gz ORLNEDGQVZNCDD-ZWNOBZJWSA-N 1 0 391.852 2.492 20 5 GEBDRO C[NH+](C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000784724543 653698947 /nfs/dbraw/zinc/69/89/47/653698947.db2.gz QWDOPNWZIRRYKD-VXGBXAGGSA-N 1 0 392.275 2.118 20 5 GEBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000841161463 653708605 /nfs/dbraw/zinc/70/86/05/653708605.db2.gz LAYJPXPIABOVMQ-JTQLQIEISA-N 1 0 379.161 2.476 20 5 GEBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841234628 653711619 /nfs/dbraw/zinc/71/16/19/653711619.db2.gz QIUJIDOZEBBVKY-RQJHMYQMSA-N 1 0 378.170 2.057 20 5 GEBDRO [NH3+][C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(I)c1)C1CC1 ZINC000841234973 653711748 /nfs/dbraw/zinc/71/17/48/653711748.db2.gz USIBJBKSOPWYII-SNVBAGLBSA-N 1 0 390.181 2.058 20 5 GEBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ncc3Br)C2)C1 ZINC000818170398 653726905 /nfs/dbraw/zinc/72/69/05/653726905.db2.gz ODKMHYZLQQXXJL-OAHLLOKOSA-N 1 0 383.246 2.310 20 5 GEBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841976207 653743081 /nfs/dbraw/zinc/74/30/81/653743081.db2.gz HIEFGLUQKOWOKP-YGRLFVJLSA-N 1 0 397.273 2.423 20 5 GEBDRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000842482634 653757891 /nfs/dbraw/zinc/75/78/91/653757891.db2.gz CYEBNNHMUUDYPM-GFCCVEGCSA-N 1 0 392.275 2.024 20 5 GEBDRO C[C@H](NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000842699647 653763634 /nfs/dbraw/zinc/76/36/34/653763634.db2.gz PBSZXTPXCATVEC-VHSXEESVSA-N 1 0 392.275 2.024 20 5 GEBDRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000842736524 653765306 /nfs/dbraw/zinc/76/53/06/653765306.db2.gz FRMKVAXWNZZRSC-UHFFFAOYSA-N 1 0 392.275 2.248 20 5 GEBDRO C[C@@]1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCC[NH2+]C1 ZINC000842827394 653770058 /nfs/dbraw/zinc/77/00/58/653770058.db2.gz GJKIIKLSCXAWPX-CYBMUJFWSA-N 1 0 392.275 2.025 20 5 GEBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000843042928 653777851 /nfs/dbraw/zinc/77/78/51/653777851.db2.gz XFTNYAFVGQGRCC-YUMQZZPRSA-N 1 0 392.197 2.447 20 5 GEBDRO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000866804071 653828900 /nfs/dbraw/zinc/82/89/00/653828900.db2.gz PTPPXKRNSCNUOC-UHFFFAOYSA-N 1 0 381.376 2.376 20 5 GEBDRO O=[N+]([O-])c1ccc(Br)c2c1CN(C[C@H](O)C[NH+]1CCCC1)CC2 ZINC000792913192 653855900 /nfs/dbraw/zinc/85/59/00/653855900.db2.gz MGYLAGYQQGCFAV-GFCCVEGCSA-N 1 0 384.274 2.172 20 5 GEBDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCc3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000896447158 653880468 /nfs/dbraw/zinc/88/04/68/653880468.db2.gz QNWHCQYEMGYGJG-BXUZGUMPSA-N 1 0 383.246 2.203 20 5 GEBDRO CC[NH+]1CCN(CCNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000897598310 653929548 /nfs/dbraw/zinc/92/95/48/653929548.db2.gz QDGMIRDYBFCQKY-UHFFFAOYSA-N 1 0 393.246 2.408 20 5 GEBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795808584 653967942 /nfs/dbraw/zinc/96/79/42/653967942.db2.gz CCFPUQDSFOHYET-SNVBAGLBSA-N 1 0 379.841 2.398 20 5 GEBDRO C[C@@H](CCNS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])[NH+](C)C ZINC000849429918 654032779 /nfs/dbraw/zinc/03/27/79/654032779.db2.gz XFQAKCQLPQJDKE-QMMMGPOBSA-N 1 0 398.254 2.115 20 5 GEBDRO C[NH+](C)CC1(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCC1 ZINC000798470665 654065029 /nfs/dbraw/zinc/06/50/29/654065029.db2.gz ISCQAYNPQXIKIV-UHFFFAOYSA-N 1 0 392.275 2.120 20 5 GEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850492946 654079268 /nfs/dbraw/zinc/07/92/68/654079268.db2.gz UEGNJFCBNDMYOO-JUTIIYIPSA-N 1 0 381.376 2.213 20 5 GEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850492945 654079319 /nfs/dbraw/zinc/07/93/19/654079319.db2.gz UEGNJFCBNDMYOO-FORDYWAESA-N 1 0 381.376 2.213 20 5 GEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889763900 654169988 /nfs/dbraw/zinc/16/99/88/654169988.db2.gz OVXYKOZLIIUGQH-CABCVRRESA-N 1 0 398.257 2.029 20 5 GEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000802979424 654253552 /nfs/dbraw/zinc/25/35/52/654253552.db2.gz YNCKWLBUPWCJOS-RYUDHWBXSA-N 1 0 399.289 2.345 20 5 GEBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000853081441 654277635 /nfs/dbraw/zinc/27/76/35/654277635.db2.gz QAUJTXIELFIJNV-JTQLQIEISA-N 1 0 375.756 2.067 20 5 GEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000832764942 654294072 /nfs/dbraw/zinc/29/40/72/654294072.db2.gz RRJOHWVQXXLHKZ-SNVBAGLBSA-N 1 0 379.841 2.491 20 5 GEBDRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000832764248 654294120 /nfs/dbraw/zinc/29/41/20/654294120.db2.gz KJNWOHIBLXZKFS-JTQLQIEISA-N 1 0 379.841 2.491 20 5 GEBDRO Cc1c(Br)cccc1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000905561082 654366377 /nfs/dbraw/zinc/36/63/77/654366377.db2.gz PZZVPCXDLMJFBV-AWEZNQCLSA-N 1 0 383.246 2.055 20 5 GEBDRO C[C@]1(Br)C[C@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000893563836 654408433 /nfs/dbraw/zinc/40/84/33/654408433.db2.gz ULHGLCQOFHNZJY-GWCFXTLKSA-N 1 0 377.260 2.132 20 5 GEBDRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000893567797 654408926 /nfs/dbraw/zinc/40/89/26/654408926.db2.gz BUBHXPAJDHXQEM-UHFFFAOYSA-N 1 0 375.878 2.400 20 5 GEBDRO O=[N+]([O-])c1cnc2cc(Br)ccc2c1NCC[NH+]1CCC(O)CC1 ZINC000894105420 654447179 /nfs/dbraw/zinc/44/71/79/654447179.db2.gz ILRRNVSUZFWWKJ-UHFFFAOYSA-N 1 0 395.257 2.196 20 5 GEBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC1 ZINC000931793922 654757278 /nfs/dbraw/zinc/75/72/78/654757278.db2.gz JEGFPRVSDSQVHP-UHFFFAOYSA-N 1 0 385.262 2.496 20 5 GEBDRO CS[C@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C[C@H]1[NH+](C)C ZINC000935111502 654876514 /nfs/dbraw/zinc/87/65/14/654876514.db2.gz PSPGWXZEACBMRA-ZJUUUORDSA-N 1 0 376.841 2.087 20 5 GEBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)c(C)cc1[N+](=O)[O-])CC2 ZINC001164686123 719711854 /nfs/dbraw/zinc/71/18/54/719711854.db2.gz XGOUELYRTCFUEQ-UHFFFAOYSA-N 1 0 381.864 2.132 20 5 GEBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C)cc(OC)c1[N+](=O)[O-])C2 ZINC001164809955 720107827 /nfs/dbraw/zinc/10/78/27/720107827.db2.gz IWLPDYMPBIOVFL-UZLBHIALSA-N 1 0 390.484 2.492 20 5 GEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721056 720341333 /nfs/dbraw/zinc/34/13/33/720341333.db2.gz ABIZDSNLIDSHOB-DLBZAZTESA-N 1 0 383.408 2.025 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164731032 720405708 /nfs/dbraw/zinc/40/57/08/720405708.db2.gz YEVBGWBQLPNBGF-GJZGRUSLSA-N 1 0 375.816 2.130 20 5 GEBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164733762 720550770 /nfs/dbraw/zinc/55/07/70/720550770.db2.gz RREIBUOJMCCBFI-UHFFFAOYSA-N 1 0 376.848 2.498 20 5 GEBDRO Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)ncc1[N+](=O)[O-] ZINC001164841544 720633394 /nfs/dbraw/zinc/63/33/94/720633394.db2.gz SSBRTWMWXCDLQU-GVDBMIGSSA-N 1 0 385.472 2.268 20 5 GEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744809 720811740 /nfs/dbraw/zinc/81/17/40/720811740.db2.gz IPSXVOBSPNVEPR-YTQUADARSA-N 1 0 397.483 2.269 20 5 GEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164764273 721089923 /nfs/dbraw/zinc/08/99/23/721089923.db2.gz HCWQTRJGSAVCQD-UONOGXRCSA-N 1 0 391.863 2.038 20 5 GEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164764264 721090077 /nfs/dbraw/zinc/09/00/77/721090077.db2.gz HCWQTRJGSAVCQD-KBPBESRZSA-N 1 0 391.863 2.038 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(Cl)cc([N+](=O)[O-])n4)C[C@@H]3C2)cn1 ZINC001164761711 721110191 /nfs/dbraw/zinc/11/01/91/721110191.db2.gz APLHYQJOQFLDSU-KGLIPLIRSA-N 1 0 376.848 2.335 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc5[nH]cc([N+](=O)[O-])c5n4)C[C@@H]3C2)cn1 ZINC001164768286 721157697 /nfs/dbraw/zinc/15/76/97/721157697.db2.gz OEKNWYLPMFGKSC-CABCVRRESA-N 1 0 381.440 2.163 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5cccc([N+](=O)[O-])c54)C[C@H]3C2)cn1 ZINC001164763868 721233663 /nfs/dbraw/zinc/23/36/63/721233663.db2.gz NJLKGRYFRGSNJR-HZPDHXFCSA-N 1 0 393.451 2.230 20 5 GEBDRO Cc1nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ccc1[N+](=O)[O-] ZINC001164893634 721383384 /nfs/dbraw/zinc/38/33/84/721383384.db2.gz WJJRSKLYXWRBPP-FXAWDEMLSA-N 1 0 389.500 2.064 20 5 GEBDRO COc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164976650 722111108 /nfs/dbraw/zinc/11/11/08/722111108.db2.gz LZWLUIBWPATPRZ-QFBILLFUSA-N 1 0 399.451 2.121 20 5 GEBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000157574328 531745982 /nfs/dbraw/zinc/74/59/82/531745982.db2.gz ILBTWLYFGKCTOK-QPUJVOFHSA-N 1 0 389.193 2.057 20 5 GEBDRO O=C(NCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1I ZINC000172126812 531934088 /nfs/dbraw/zinc/93/40/88/531934088.db2.gz IHZOHQVMYGBKHP-UHFFFAOYSA-N 1 0 389.193 2.025 20 5 GEBDRO Cc1sc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000123827947 532109131 /nfs/dbraw/zinc/10/91/31/532109131.db2.gz SEAVMLZTZCPUDW-UHFFFAOYSA-N 1 0 384.483 2.112 20 5 GEBDRO Cc1sc(S(=O)(=O)NC2CC[NH+](CCOC(C)C)CC2)cc1[N+](=O)[O-] ZINC000124983884 532131851 /nfs/dbraw/zinc/13/18/51/532131851.db2.gz ZEYDZZNRBBYAGN-UHFFFAOYSA-N 1 0 391.515 2.132 20 5 GEBDRO C[NH+](C)C1CC(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000590356257 532367351 /nfs/dbraw/zinc/36/73/51/532367351.db2.gz URDHDWBKWIWIMU-UHFFFAOYSA-N 1 0 389.193 2.022 20 5 GEBDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000516141709 532380809 /nfs/dbraw/zinc/38/08/09/532380809.db2.gz NBMAIKSRMVUFSZ-NHYWBVRUSA-N 1 0 383.246 2.136 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cccc(Br)c2Cl)c1 ZINC000517732699 532426015 /nfs/dbraw/zinc/42/60/15/532426015.db2.gz JHNKXXXZRLQXAY-NSHDSACASA-N 1 0 389.637 2.358 20 5 GEBDRO O=C(NCCC[NH2+]C1CC1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000517941332 532430165 /nfs/dbraw/zinc/43/01/65/532430165.db2.gz NWXSHQSEIVSPAN-UHFFFAOYSA-N 1 0 389.193 2.071 20 5 GEBDRO C[NH+]1CCC(N2CC[C@H](Nc3ncc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000373112209 532431162 /nfs/dbraw/zinc/43/11/62/532431162.db2.gz ZIUUENQVWIFUEV-LBPRGKRZSA-N 1 0 384.278 2.333 20 5 GEBDRO [NH3+]CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)CC1 ZINC000296813830 532545361 /nfs/dbraw/zinc/54/53/61/532545361.db2.gz AEJBTHFBJOACLA-UHFFFAOYSA-N 1 0 389.193 2.010 20 5 GEBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000564830095 532533711 /nfs/dbraw/zinc/53/37/11/532533711.db2.gz XBRDELLCZNJGMZ-LLVKDONJSA-N 1 0 391.209 2.303 20 5 GEBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596167621 532589507 /nfs/dbraw/zinc/58/95/07/532589507.db2.gz FEWWAATXLKQTKD-CQSZACIVSA-N 1 0 397.273 2.100 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Br)s2)c1 ZINC000566124449 532594256 /nfs/dbraw/zinc/59/42/56/532594256.db2.gz XKTZVCWUQLDXFH-HBNTYKKESA-N 1 0 387.259 2.122 20 5 GEBDRO O=C(CN1CC[C@]2(C1)CCC[NH2+]C2)Nc1ccc([N+](=O)[O-])cc1Br ZINC000566242605 532601804 /nfs/dbraw/zinc/60/18/04/532601804.db2.gz DDLULCLNJZWLJF-MRXNPFEDSA-N 1 0 397.273 2.371 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000377133320 532645277 /nfs/dbraw/zinc/64/52/77/532645277.db2.gz ZUPDSESHZCZSIL-JTQLQIEISA-N 1 0 377.825 2.246 20 5 GEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC000599573744 532666610 /nfs/dbraw/zinc/66/66/10/532666610.db2.gz WSQNKSQNZKYJJU-MRXNPFEDSA-N 1 0 395.257 2.063 20 5 GEBDRO CC[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000298859930 532680356 /nfs/dbraw/zinc/68/03/56/532680356.db2.gz PENNNLZNOPKULM-UHFFFAOYSA-N 1 0 392.275 2.120 20 5 GEBDRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000440358155 532712560 /nfs/dbraw/zinc/71/25/60/532712560.db2.gz TWNOIMZTXDTNFZ-VIFPVBQESA-N 1 0 392.275 2.105 20 5 GEBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440406119 532712844 /nfs/dbraw/zinc/71/28/44/532712844.db2.gz FZPFUVHDHTXHAX-UHFFFAOYSA-N 1 0 380.264 2.153 20 5 GEBDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H]1C[NH3+] ZINC000440424499 532712897 /nfs/dbraw/zinc/71/28/97/532712897.db2.gz FOEAMLLKSIROOT-SKDRFNHKSA-N 1 0 392.275 2.105 20 5 GEBDRO CCC([NH3+])(CC)CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440412843 532713788 /nfs/dbraw/zinc/71/37/88/532713788.db2.gz LWVPCMFFGUMBGR-UHFFFAOYSA-N 1 0 380.264 2.153 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c(C(F)(F)F)c1 ZINC000440435172 532714549 /nfs/dbraw/zinc/71/45/49/532714549.db2.gz GJBZYILPJYQIAS-LLVKDONJSA-N 1 0 379.360 2.129 20 5 GEBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000301153788 532742261 /nfs/dbraw/zinc/74/22/61/532742261.db2.gz FEWIJASRULPJFQ-NSHDSACASA-N 1 0 385.262 2.357 20 5 GEBDRO CC(C)[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000268496374 532767444 /nfs/dbraw/zinc/76/74/44/532767444.db2.gz QMMOGUXMLFRVLA-CQSZACIVSA-N 1 0 386.294 2.436 20 5 GEBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[NH+]1CCCC1 ZINC000548697506 532793204 /nfs/dbraw/zinc/79/32/04/532793204.db2.gz GKHOIICYBPUYHX-JTQLQIEISA-N 1 0 392.275 2.120 20 5 GEBDRO C[NH+](C)[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCSC1 ZINC000272263725 532814179 /nfs/dbraw/zinc/81/41/79/532814179.db2.gz BZTPLCUVVZNZAZ-HNNXBMFYSA-N 1 0 375.397 2.363 20 5 GEBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415699706 532853876 /nfs/dbraw/zinc/85/38/76/532853876.db2.gz KAGUQCSBRJXVEG-SNVBAGLBSA-N 1 0 379.161 2.476 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@H]2CC[C@@H](O)C2)c1 ZINC000289594138 532860002 /nfs/dbraw/zinc/86/00/02/532860002.db2.gz ULACFHBPZVAXCP-TVQRCGJNSA-N 1 0 376.194 2.450 20 5 GEBDRO CC(C)C(=O)NCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289959727 532868753 /nfs/dbraw/zinc/86/87/53/532868753.db2.gz QPWCGNLMQZQMRW-UHFFFAOYSA-N 1 0 391.209 2.061 20 5 GEBDRO C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000420461189 532883753 /nfs/dbraw/zinc/88/37/53/532883753.db2.gz NZJLOSBZRMYKMM-NOZJJQNGSA-N 1 0 381.376 2.219 20 5 GEBDRO CNC(=O)CN1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290907968 532892380 /nfs/dbraw/zinc/89/23/80/532892380.db2.gz OUNLMNGRUCFDCA-UHFFFAOYSA-N 1 0 375.256 2.202 20 5 GEBDRO C[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000364378010 532906336 /nfs/dbraw/zinc/90/63/36/532906336.db2.gz CGSCBDCGMWKTFJ-LBPRGKRZSA-N 1 0 398.305 2.357 20 5 GEBDRO C[C@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000292042560 532912241 /nfs/dbraw/zinc/91/22/41/532912241.db2.gz XXADJOKENYYWSU-SNVBAGLBSA-N 1 0 375.256 2.267 20 5 GEBDRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)C2)C1 ZINC000291999209 532911739 /nfs/dbraw/zinc/91/17/39/532911739.db2.gz LFALQLXVLUZYOY-AWEZNQCLSA-N 1 0 377.825 2.104 20 5 GEBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000370090641 532942106 /nfs/dbraw/zinc/94/21/06/532942106.db2.gz HMDYFIPURKVSNE-JGPRNRPPSA-N 1 0 390.259 2.000 20 5 GEBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736266166 598869534 /nfs/dbraw/zinc/86/95/34/598869534.db2.gz GLJZEQXIXNPOTN-KBPBESRZSA-N 1 0 386.460 2.261 20 5 GEBDRO Cc1cccc(NC[C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])C2)[nH+]1 ZINC000737399974 598671285 /nfs/dbraw/zinc/67/12/85/598671285.db2.gz QMZLDVXSHJPSGZ-ZDUSSCGKSA-N 1 0 380.412 2.417 20 5 GEBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820420165 599388555 /nfs/dbraw/zinc/38/85/55/599388555.db2.gz NJLOHNUZKNQXQL-SJKOYZFVSA-N 1 0 393.407 2.231 20 5 GEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000826499471 607553496 /nfs/dbraw/zinc/55/34/96/607553496.db2.gz JYAIHMHWZRPPEY-GOSISDBHSA-N 1 0 380.408 2.473 20 5 GEBDRO Cc1ccccc1C[N@@H+]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000822356822 606697933 /nfs/dbraw/zinc/69/79/33/606697933.db2.gz ZWEPQHQIXKJCCZ-UHFFFAOYSA-N 1 0 394.439 2.191 20 5 GEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820760959 606714942 /nfs/dbraw/zinc/71/49/42/606714942.db2.gz UOSNWXZWAOESFY-BBRMVZONSA-N 1 0 394.439 2.492 20 5 GEBDRO CN(c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821619236 606715444 /nfs/dbraw/zinc/71/54/44/606715444.db2.gz OUKPOACSSVCLFP-HNNXBMFYSA-N 1 0 394.439 2.271 20 5 GEBDRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000821585991 607114318 /nfs/dbraw/zinc/11/43/18/607114318.db2.gz FFLIDJWSYIDBAU-UHFFFAOYSA-N 1 0 385.403 2.482 20 5 GEBDRO C[NH+](C)CCN(Cc1ccccc1F)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821586346 607114736 /nfs/dbraw/zinc/11/47/36/607114736.db2.gz UGGNVCCLDSHYGI-UHFFFAOYSA-N 1 0 385.403 2.482 20 5 GEBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000823620441 607163537 /nfs/dbraw/zinc/16/35/37/607163537.db2.gz KZJZKKWNXZILLY-CYBMUJFWSA-N 1 0 384.400 2.402 20 5 GEBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825139667 608552289 /nfs/dbraw/zinc/55/22/89/608552289.db2.gz GGEUPEHNOYTORV-INIZCTEOSA-N 1 0 381.396 2.454 20 5 GEBDRO C[C@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824584953 608564017 /nfs/dbraw/zinc/56/40/17/608564017.db2.gz KHIHNYFDVGJVTB-LBPRGKRZSA-N 1 0 381.396 2.454 20 5 GEBDRO O=C1[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476254 609415800 /nfs/dbraw/zinc/41/58/00/609415800.db2.gz DICBMTBIKCQGNW-KRWDZBQOSA-N 1 0 393.407 2.060 20 5 GEBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000447024678 649994556 /nfs/dbraw/zinc/99/45/56/649994556.db2.gz AIXYNNOXQYFWCR-UWVGGRQHSA-N 1 0 392.275 2.118 20 5 GEBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[N@@H+]1C ZINC000447028579 649994643 /nfs/dbraw/zinc/99/46/43/649994643.db2.gz OLTQDFHWIJXZGN-NXEZZACHSA-N 1 0 381.376 2.375 20 5 GEBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447032341 649995272 /nfs/dbraw/zinc/99/52/72/649995272.db2.gz XDNAJGVIHJQZTK-SNVBAGLBSA-N 1 0 394.291 2.366 20 5 GEBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000515648466 650593355 /nfs/dbraw/zinc/59/33/55/650593355.db2.gz YZXJAMPTJZVWQL-NSHDSACASA-N 1 0 381.376 2.376 20 5 GEBDRO O=[N+]([O-])c1ccn(CC[N@@H+](CCO)Cc2ccc(Br)s2)n1 ZINC000485132912 650693565 /nfs/dbraw/zinc/69/35/65/650693565.db2.gz QHCFFYWNJGVMQQ-UHFFFAOYSA-N 1 0 375.248 2.110 20 5 GEBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000488419854 650745866 /nfs/dbraw/zinc/74/58/66/650745866.db2.gz KRNKHGTVEHJFPF-WFASDCNBSA-N 1 0 387.527 2.383 20 5 GEBDRO CC(C)(C)[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CS1 ZINC000488416974 650745885 /nfs/dbraw/zinc/74/58/85/650745885.db2.gz JKJULRSTCZCUDY-SWLSCSKDSA-N 1 0 387.527 2.383 20 5 GEBDRO [NH3+]CC[C@@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000489938786 650765593 /nfs/dbraw/zinc/76/55/93/650765593.db2.gz YZMTUOHWFFWKJR-NSHDSACASA-N 1 0 385.262 2.499 20 5 GEBDRO CSc1ccc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000065978413 642894082 /nfs/dbraw/zinc/89/40/82/642894082.db2.gz GTSZLIBPBHBUPD-UHFFFAOYSA-N 1 0 381.479 2.385 20 5 GEBDRO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000093530849 643077704 /nfs/dbraw/zinc/07/77/04/643077704.db2.gz LOKZDOLSYIHQSP-ZDUSSCGKSA-N 1 0 381.479 2.447 20 5 GEBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1[NH+](C)C ZINC000495728986 650827233 /nfs/dbraw/zinc/82/72/33/650827233.db2.gz PBBYZAZBKYZREL-QWHCGFSZSA-N 1 0 388.287 2.475 20 5 GEBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000116347574 643458960 /nfs/dbraw/zinc/45/89/60/643458960.db2.gz JRUKFYZNZWAPRT-JTQLQIEISA-N 1 0 392.275 2.072 20 5 GEBDRO C[NH+](C)C1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000119618099 643561273 /nfs/dbraw/zinc/56/12/73/643561273.db2.gz BBOUZSBJDKFENY-UHFFFAOYSA-N 1 0 392.275 2.072 20 5 GEBDRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000123023648 643663387 /nfs/dbraw/zinc/66/33/87/643663387.db2.gz GVPZTJQDJMMILJ-JOYOIKCWSA-N 1 0 392.275 2.248 20 5 GEBDRO CC(C)[NH2+]CCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000123699051 643675559 /nfs/dbraw/zinc/67/55/59/643675559.db2.gz BFDGMTDWPJFYRZ-UHFFFAOYSA-N 1 0 380.264 2.024 20 5 GEBDRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000124464727 643687020 /nfs/dbraw/zinc/68/70/20/643687020.db2.gz GEOMWQLKMASDLX-CYBMUJFWSA-N 1 0 394.291 2.399 20 5 GEBDRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000124567221 643687942 /nfs/dbraw/zinc/68/79/42/643687942.db2.gz VQMLEWRSNMHZIB-LBPRGKRZSA-N 1 0 393.893 2.192 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000124906601 643692661 /nfs/dbraw/zinc/69/26/61/643692661.db2.gz AGDLMECROXPVCM-UWVGGRQHSA-N 1 0 392.275 2.214 20 5 GEBDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@@H]1C[NH3+] ZINC000237558319 645436935 /nfs/dbraw/zinc/43/69/35/645436935.db2.gz NJRLXHISTUAWMT-BXKDBHETSA-N 1 0 381.376 2.362 20 5 GEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC(OCCC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000237611339 645438018 /nfs/dbraw/zinc/43/80/18/645438018.db2.gz DKERDNSMJUCUIO-UHFFFAOYSA-N 1 0 391.877 2.075 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000237796496 645442150 /nfs/dbraw/zinc/44/21/50/645442150.db2.gz HVZVXBPVVVOGIL-SNVBAGLBSA-N 1 0 381.376 2.282 20 5 GEBDRO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000261922310 645612643 /nfs/dbraw/zinc/61/26/43/645612643.db2.gz BTIVMRQPTKZSRK-CYBMUJFWSA-N 1 0 399.289 2.177 20 5 GEBDRO CC[NH+]1CCN(C[C@@H](C)CNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000268454888 645969949 /nfs/dbraw/zinc/96/99/49/645969949.db2.gz BTFWPNLHZYULGM-LBPRGKRZSA-N 1 0 386.294 2.438 20 5 GEBDRO CN1CC[NH+](CC2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)CC1 ZINC000268458599 645970818 /nfs/dbraw/zinc/97/08/18/645970818.db2.gz DESXKCORCZVYOC-UHFFFAOYSA-N 1 0 398.305 2.216 20 5 GEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)CC[C@@H]1[NH3+] ZINC000269217737 646023004 /nfs/dbraw/zinc/02/30/04/646023004.db2.gz QABIEFCIHNEHAU-PELKAZGASA-N 1 0 389.193 2.009 20 5 GEBDRO CC(C)[C@@H](CNc1c(Br)cncc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000271012758 646166075 /nfs/dbraw/zinc/16/60/75/646166075.db2.gz XZVGPRNYJICAKJ-CYBMUJFWSA-N 1 0 386.294 2.436 20 5 GEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000271436400 646206368 /nfs/dbraw/zinc/20/63/68/646206368.db2.gz BPXGGYFXIHZGNK-ZIAGYGMSSA-N 1 0 387.527 2.337 20 5 GEBDRO CCn1c(CC[NH3+])nnc1Sc1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC ZINC000279473975 646603531 /nfs/dbraw/zinc/60/35/31/646603531.db2.gz NODFABOWLABIOQ-UHFFFAOYSA-N 1 0 385.833 2.299 20 5 GEBDRO Cc1c(Br)cc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000285989840 646863956 /nfs/dbraw/zinc/86/39/56/646863956.db2.gz YHTFPYTZQFRPRU-CABCVRRESA-N 1 0 398.257 2.211 20 5 GEBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301907478 647276716 /nfs/dbraw/zinc/27/67/16/647276716.db2.gz AOGHBTBOPWKOPH-OAHLLOKOSA-N 1 0 397.273 2.276 20 5 GEBDRO CS[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000330546901 647344926 /nfs/dbraw/zinc/34/49/26/647344926.db2.gz PWSWOCFCALLLMT-STQMWFEESA-N 1 0 388.287 2.475 20 5 GEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1C[C@@H]2[C@H]3CCCC[N@H+]3C[C@H]2C1 ZINC000365542358 647675407 /nfs/dbraw/zinc/67/54/07/647675407.db2.gz ZBPPEZMYXJXDTP-SGMGOOAPSA-N 1 0 385.873 2.353 20 5 GEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000368590830 647759962 /nfs/dbraw/zinc/75/99/62/647759962.db2.gz LBYFTJAUXCUWTE-ABAIWWIYSA-N 1 0 382.258 2.452 20 5 GEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)[C@H]2C1 ZINC000378492944 647883186 /nfs/dbraw/zinc/88/31/86/647883186.db2.gz HZRKBTUANMKQTB-NHYWBVRUSA-N 1 0 382.258 2.452 20 5 GEBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000416469752 648136094 /nfs/dbraw/zinc/13/60/94/648136094.db2.gz DYYZCCBNNASIIX-UHFFFAOYSA-N 1 0 381.376 2.376 20 5 GEBDRO C[NH+](C)CC1CCN(c2c(I)cncc2[N+](=O)[O-])CC1 ZINC000418848380 648317398 /nfs/dbraw/zinc/31/73/98/648317398.db2.gz LKSWQASDQUNAHB-UHFFFAOYSA-N 1 0 390.225 2.372 20 5 GEBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCC(F)(F)C1 ZINC000420973116 648460707 /nfs/dbraw/zinc/46/07/07/648460707.db2.gz MBJNINSBVNCGRV-LBPRGKRZSA-N 1 0 377.413 2.240 20 5 GEBDRO O=C(CN1CC[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc([N+](=O)[O-])cc1Br ZINC000430562530 648763387 /nfs/dbraw/zinc/76/33/87/648763387.db2.gz FAQIQCMRDVDHRW-MNOVXSKESA-N 1 0 383.246 2.122 20 5 GEBDRO C[C@]1(CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000440848059 648816863 /nfs/dbraw/zinc/81/68/63/648816863.db2.gz UVYXELSNGCTEAX-ZDUSSCGKSA-N 1 0 392.275 2.025 20 5 GEBDRO CC[NH+]1CCN(CCC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000557158660 651265354 /nfs/dbraw/zinc/26/53/54/651265354.db2.gz DNWLNJOBQNRPIA-UHFFFAOYSA-N 1 0 385.262 2.323 20 5 GEBDRO C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)CC[N@@H+]1C ZINC000719385458 651476100 /nfs/dbraw/zinc/47/61/00/651476100.db2.gz HCUURWVLRLGADB-UFBFGSQYSA-N 1 0 389.193 2.022 20 5 GEBDRO C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000567851603 651638542 /nfs/dbraw/zinc/63/85/42/651638542.db2.gz REHYYMAHSARIPQ-ZJUUUORDSA-N 1 0 381.376 2.280 20 5 GEBDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000570703116 651784912 /nfs/dbraw/zinc/78/49/12/651784912.db2.gz JOGMLGMKQVXATO-SNVBAGLBSA-N 1 0 394.291 2.364 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2cccc(Br)c2)c1 ZINC000570836326 651794880 /nfs/dbraw/zinc/79/48/80/651794880.db2.gz FWJVPFCDQCYDIA-QLFBSQMISA-N 1 0 381.230 2.060 20 5 GEBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000573083220 651933120 /nfs/dbraw/zinc/93/31/20/651933120.db2.gz RZIRNAGMQPYLCH-ZDUSSCGKSA-N 1 0 391.209 2.303 20 5 GEBDRO CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000574987948 652056323 /nfs/dbraw/zinc/05/63/23/652056323.db2.gz PBLVBOLSYLEIOZ-HNNXBMFYSA-N 1 0 397.273 2.482 20 5 GEBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC12CCOCC2 ZINC000574988226 652056469 /nfs/dbraw/zinc/05/64/69/652056469.db2.gz QUQGLUSPZHGAQS-NSHDSACASA-N 1 0 398.257 2.185 20 5 GEBDRO COC[C@@](C)(CCO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000576743030 652141273 /nfs/dbraw/zinc/14/12/73/652141273.db2.gz DLNBFEJJKIQAKS-CYBMUJFWSA-N 1 0 394.209 2.077 20 5 GEBDRO CC[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000578981834 652308705 /nfs/dbraw/zinc/30/87/05/652308705.db2.gz ZCDBYWGLHLVNJV-LLVKDONJSA-N 1 0 385.262 2.322 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCOc2ccc(Cl)c(Cl)c2)c1 ZINC000581483877 652414713 /nfs/dbraw/zinc/41/47/13/652414713.db2.gz KVLIMAUQXKGPCO-NSHDSACASA-N 1 0 375.212 2.128 20 5 GEBDRO CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000581948575 652428661 /nfs/dbraw/zinc/42/86/61/652428661.db2.gz RUZDEKJWOOFGKY-CYBMUJFWSA-N 1 0 381.479 2.447 20 5 GEBDRO CSc1ccc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000582091615 652435226 /nfs/dbraw/zinc/43/52/26/652435226.db2.gz AUUIZGRCKNWZSK-UHFFFAOYSA-N 1 0 387.508 2.446 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CSc3ccc(Br)cc32)c1 ZINC000582541383 652454511 /nfs/dbraw/zinc/45/45/11/652454511.db2.gz ASDCKMAEIKQZTH-DGCLKSJQSA-N 1 0 399.270 2.351 20 5 GEBDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000757926027 652525855 /nfs/dbraw/zinc/52/58/55/652525855.db2.gz JMGKYUFRUHGDPG-AWEZNQCLSA-N 1 0 375.219 2.415 20 5 GEBDRO [NH3+]C[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C(F)(F)F ZINC000594452076 652652812 /nfs/dbraw/zinc/65/28/12/652652812.db2.gz WWYAODPNDJFYCV-SECBINFHSA-N 1 0 375.225 2.155 20 5 GEBDRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000598722156 652831465 /nfs/dbraw/zinc/83/14/65/652831465.db2.gz AFQVBLASGZOROT-ZWNOBZJWSA-N 1 0 379.360 2.116 20 5 GEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000599104758 652850107 /nfs/dbraw/zinc/85/01/07/652850107.db2.gz XIRYYGBCHTUXHV-GHMZBOCLSA-N 1 0 381.376 2.051 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)c1 ZINC000599666925 652883037 /nfs/dbraw/zinc/88/30/37/652883037.db2.gz OYCHJRSMIYBFJZ-CABCVRRESA-N 1 0 389.239 2.172 20 5 GEBDRO CS[C@@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@H]1[NH+]1CCCC1 ZINC000601145889 652956449 /nfs/dbraw/zinc/95/64/49/652956449.db2.gz VASFGWIBSUDUNY-NXEZZACHSA-N 1 0 379.408 2.363 20 5 GEBDRO CSC1(CNS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000601416598 653093090 /nfs/dbraw/zinc/09/30/90/653093090.db2.gz SJRRZCUYVXDUNW-UHFFFAOYSA-N 1 0 379.529 2.070 20 5 GEBDRO O=[N+]([O-])c1cc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1Br ZINC000769326732 653148967 /nfs/dbraw/zinc/14/89/67/653148967.db2.gz GCWRWWOVWGBKMS-HOCLYGCPSA-N 1 0 384.274 2.388 20 5 GEBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@H]2CCCN2CCCO)cc1Br ZINC000602673202 653199726 /nfs/dbraw/zinc/19/97/26/653199726.db2.gz JGZVUALVDQSNOS-JTQLQIEISA-N 1 0 378.292 2.355 20 5 GEBDRO [NH3+]C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000701024325 653318933 /nfs/dbraw/zinc/31/89/33/653318933.db2.gz AARHQVRGPYTALP-SECBINFHSA-N 1 0 389.193 2.010 20 5 GEBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1I)[C@@H](C[NH3+])C1CC1 ZINC000701035182 653319171 /nfs/dbraw/zinc/31/91/71/653319171.db2.gz UEAHNGLVNLMONS-LBPRGKRZSA-N 1 0 389.193 2.009 20 5 GEBDRO CC[NH+](CC)CCS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Br ZINC000810048756 653319049 /nfs/dbraw/zinc/31/90/49/653319049.db2.gz CYTBHNOYMMQYQU-UHFFFAOYSA-N 1 0 381.248 2.408 20 5 GEBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000704624599 653321114 /nfs/dbraw/zinc/32/11/14/653321114.db2.gz ZGDVBZWRJIQNTO-NWDGAFQWSA-N 1 0 389.193 2.070 20 5 GEBDRO CC[S@](=O)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000810143400 653328073 /nfs/dbraw/zinc/32/80/73/653328073.db2.gz GJUXYTSGKIJCGR-SFHVURJKSA-N 1 0 382.223 2.058 20 5 GEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000858620936 653371244 /nfs/dbraw/zinc/37/12/44/653371244.db2.gz PKZJGYROUJBPGB-UONOGXRCSA-N 1 0 381.841 2.282 20 5 GEBDRO C[NH+](C)CCCNC(=S)NNc1ccc([N+](=O)[O-])cc1Br ZINC000777474197 653399110 /nfs/dbraw/zinc/39/91/10/653399110.db2.gz WEOZDMINJAWHJC-UHFFFAOYSA-N 1 0 376.280 2.100 20 5 GEBDRO Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)C[NH+](C)C ZINC000813730659 653613126 /nfs/dbraw/zinc/61/31/26/653613126.db2.gz TXAILHAUYWZGHP-VIFPVBQESA-N 1 0 394.291 2.142 20 5 GEBDRO CC[N@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(C)C ZINC000780855075 653633591 /nfs/dbraw/zinc/63/35/91/653633591.db2.gz DUGQEVBBFNNBBW-UHFFFAOYSA-N 1 0 394.291 2.366 20 5 GEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815028135 653645646 /nfs/dbraw/zinc/64/56/46/653645646.db2.gz RMJSBHYEBKHOCE-ZWNOBZJWSA-N 1 0 391.852 2.492 20 5 GEBDRO CS[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000815028983 653645874 /nfs/dbraw/zinc/64/58/74/653645874.db2.gz IJDWLSNSAPBALS-VXGBXAGGSA-N 1 0 397.881 2.053 20 5 GEBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815038474 653647183 /nfs/dbraw/zinc/64/71/83/653647183.db2.gz JLZRPSQGNYGNMZ-SNVBAGLBSA-N 1 0 379.841 2.492 20 5 GEBDRO COC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(Br)c1 ZINC000879662736 653677879 /nfs/dbraw/zinc/67/78/79/653677879.db2.gz JZIIZQOHFROKCD-OAHLLOKOSA-N 1 0 396.241 2.496 20 5 GEBDRO C[NH2+][C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)C1 ZINC000841234630 653711562 /nfs/dbraw/zinc/71/15/62/653711562.db2.gz QMFGUEFMQSEICM-SECBINFHSA-N 1 0 390.181 2.025 20 5 GEBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(I)c1)[C@H](C)[NH3+] ZINC000841234626 653711643 /nfs/dbraw/zinc/71/16/43/653711643.db2.gz QIUJIDOZEBBVKY-NKWVEPMBSA-N 1 0 378.170 2.057 20 5 GEBDRO [NH3+]C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(I)c1)C1CC1 ZINC000841235045 653711749 /nfs/dbraw/zinc/71/17/49/653711749.db2.gz VGFFNDBJNYAKAF-SNVBAGLBSA-N 1 0 390.181 2.058 20 5 GEBDRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000841546001 653731053 /nfs/dbraw/zinc/73/10/53/653731053.db2.gz BUFCCVUGLARCNV-SNVBAGLBSA-N 1 0 379.841 2.398 20 5 GEBDRO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841938622 653742774 /nfs/dbraw/zinc/74/27/74/653742774.db2.gz NVXJKFJBJXLOMA-NSHDSACASA-N 1 0 397.273 2.425 20 5 GEBDRO O=C(NCC1=CC[NH2+]CC1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841971901 653742928 /nfs/dbraw/zinc/74/29/28/653742928.db2.gz OBBGUMGRWUUWNS-UHFFFAOYSA-N 1 0 395.257 2.345 20 5 GEBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841989423 653743149 /nfs/dbraw/zinc/74/31/49/653743149.db2.gz OXOTZECYSCAONK-IINYFYTJSA-N 1 0 397.273 2.423 20 5 GEBDRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000842482668 653758051 /nfs/dbraw/zinc/75/80/51/653758051.db2.gz DEHDSULLCPIOHW-GFCCVEGCSA-N 1 0 392.275 2.024 20 5 GEBDRO C[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)[C@H]1C[NH3+] ZINC000842721859 653764555 /nfs/dbraw/zinc/76/45/55/653764555.db2.gz MFLWHFPTFWNRJF-CABZTGNLSA-N 1 0 392.275 2.105 20 5 GEBDRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000842859337 653770725 /nfs/dbraw/zinc/77/07/25/653770725.db2.gz GTNBJBSNFOKEQI-SNVBAGLBSA-N 1 0 392.275 2.249 20 5 GEBDRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000842869555 653771194 /nfs/dbraw/zinc/77/11/94/653771194.db2.gz NOPILSUOWIUAOI-VIFPVBQESA-N 1 0 380.264 2.153 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866828710 653834375 /nfs/dbraw/zinc/83/43/75/653834375.db2.gz XPIAWKVSOOESBB-WDEREUQCSA-N 1 0 380.253 2.417 20 5 GEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896539986 653883636 /nfs/dbraw/zinc/88/36/36/653883636.db2.gz CMNOWQHCPSJZBV-ABAIWWIYSA-N 1 0 399.289 2.030 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000884956287 653897893 /nfs/dbraw/zinc/89/78/93/653897893.db2.gz ZQKSOAUMWPWYCL-ZJUUUORDSA-N 1 0 377.825 2.292 20 5 GEBDRO CC[NH+]1CCC(NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000794621439 653913630 /nfs/dbraw/zinc/91/36/30/653913630.db2.gz QNHIUUZPUULTFP-UHFFFAOYSA-N 1 0 399.289 2.394 20 5 GEBDRO CN(CC(=O)NCC[NH+]1CCCCC1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000795243554 653940767 /nfs/dbraw/zinc/94/07/67/653940767.db2.gz QPMQDAXSSBVPBO-UHFFFAOYSA-N 1 0 399.289 2.396 20 5 GEBDRO CN(CC(=O)NC[C@H](C1CC1)[NH+](C)C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000795374618 653948651 /nfs/dbraw/zinc/94/86/51/653948651.db2.gz ZAQSBJOHMJEGGS-OAHLLOKOSA-N 1 0 399.289 2.250 20 5 GEBDRO CS[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@@H]1[NH+](C)C ZINC000795897304 653975790 /nfs/dbraw/zinc/97/57/90/653975790.db2.gz SYSKZFSQMPYXOF-WDEREUQCSA-N 1 0 397.881 2.053 20 5 GEBDRO CN(CC(=O)N1CCC[C@@H]1C[NH+](C)C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796023001 653982078 /nfs/dbraw/zinc/98/20/78/653982078.db2.gz KYWHCSOIFBJNLY-CYBMUJFWSA-N 1 0 399.289 2.346 20 5 GEBDRO Cc1cc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc(Cl)n1 ZINC000797600144 654037153 /nfs/dbraw/zinc/03/71/53/654037153.db2.gz IENMQBFWIJQBIC-UHFFFAOYSA-N 1 0 384.845 2.020 20 5 GEBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000828958485 654056253 /nfs/dbraw/zinc/05/62/53/654056253.db2.gz FWICJINKIWLMNI-RYUDHWBXSA-N 1 0 383.246 2.248 20 5 GEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850491169 654078956 /nfs/dbraw/zinc/07/89/56/654078956.db2.gz MILHNTMHZGEHGC-JUTIIYIPSA-N 1 0 381.376 2.213 20 5 GEBDRO C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)[C@H](C[NH3+])C1 ZINC000850592235 654084867 /nfs/dbraw/zinc/08/48/67/654084867.db2.gz NVJHVUNCGQGUSB-ZJUUUORDSA-N 1 0 392.275 2.105 20 5 GEBDRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000851814243 654180649 /nfs/dbraw/zinc/18/06/49/654180649.db2.gz ZHYHHPBKSVRIKJ-JTQLQIEISA-N 1 0 379.841 2.492 20 5 GEBDRO CCO[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C[NH+](C)C ZINC000831737872 654204843 /nfs/dbraw/zinc/20/48/43/654204843.db2.gz MJIIQDYHRJEABZ-SNVBAGLBSA-N 1 0 392.225 2.193 20 5 GEBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCC([NH+]2CCC2)CC1 ZINC000903204470 654226710 /nfs/dbraw/zinc/22/67/10/654226710.db2.gz POVCEWSUFIKDRF-UHFFFAOYSA-N 1 0 377.825 2.246 20 5 GEBDRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000903575965 654259731 /nfs/dbraw/zinc/25/97/31/654259731.db2.gz XAGVFYJSJXEVLB-JTQLQIEISA-N 1 0 392.275 2.120 20 5 GEBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@@H]1CC12CC[NH2+]CC2 ZINC000892266738 654337969 /nfs/dbraw/zinc/33/79/69/654337969.db2.gz MACGZFUHOQIENO-CYBMUJFWSA-N 1 0 383.246 2.299 20 5 GEBDRO CCO[C@@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000930543829 654712741 /nfs/dbraw/zinc/71/27/41/654712741.db2.gz HJRMKLDBOLOCRS-NSHDSACASA-N 1 0 389.250 2.446 20 5 GEBDRO C[C@H]1C[C@H](N(C)C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000933447139 654813877 /nfs/dbraw/zinc/81/38/77/654813877.db2.gz UWZIBQOPPCUEKY-GXSJLCMTSA-N 1 0 385.262 2.494 20 5 GEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC000934953576 654868040 /nfs/dbraw/zinc/86/80/40/654868040.db2.gz ZDJBQEUPYXFDJL-MFKMUULPSA-N 1 0 397.273 2.496 20 5 GEBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)cc(C)c1[N+](=O)[O-])CC2 ZINC001164685168 719710592 /nfs/dbraw/zinc/71/05/92/719710592.db2.gz RORUOHMKCGLAJK-UHFFFAOYSA-N 1 0 381.864 2.132 20 5 GEBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)ncc1[N+](=O)[O-])C2 ZINC001164807537 720072177 /nfs/dbraw/zinc/07/21/77/720072177.db2.gz FVCRKPXVMVUKFQ-SUMWQHHRSA-N 1 0 381.864 2.223 20 5 GEBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)CC[C@@H]21 ZINC001164834984 720557108 /nfs/dbraw/zinc/55/71/08/720557108.db2.gz GJODMJWCYABUGG-VYDXJSESSA-N 1 0 385.472 2.146 20 5 GEBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nc21 ZINC001164728056 720571384 /nfs/dbraw/zinc/57/13/84/720571384.db2.gz ILZUYXADCHTPOR-UHFFFAOYSA-N 1 0 381.440 2.326 20 5 GEBDRO Cc1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1[N+](=O)[O-] ZINC001164746825 720817939 /nfs/dbraw/zinc/81/79/39/720817939.db2.gz ZHXCUUSSQHHVSJ-RCCFBDPRSA-N 1 0 397.483 2.269 20 5 GEBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C)cc(Cl)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164853705 720848430 /nfs/dbraw/zinc/84/84/30/720848430.db2.gz OQQXVQCAJFABOY-DZGCQCFKSA-N 1 0 384.864 2.125 20 5 GEBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)CC[C@H]2C1 ZINC001164855496 720852635 /nfs/dbraw/zinc/85/26/35/720852635.db2.gz NBHITQSWOGZITL-HNAYVOBHSA-N 1 0 386.452 2.317 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nccc(Cl)c4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164765841 721077562 /nfs/dbraw/zinc/07/75/62/721077562.db2.gz JXVNMJLKURPJJB-KBPBESRZSA-N 1 0 376.848 2.335 20 5 GEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867623 721098998 /nfs/dbraw/zinc/09/89/98/721098998.db2.gz YURFMKSALSZBDJ-QZTJIDSGSA-N 1 0 383.452 2.481 20 5 GEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867622 721099420 /nfs/dbraw/zinc/09/94/20/721099420.db2.gz YURFMKSALSZBDJ-MSOLQXFVSA-N 1 0 383.452 2.481 20 5 GEBDRO CCOc1nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164773407 721172328 /nfs/dbraw/zinc/17/23/28/721172328.db2.gz XDIPUFKNCWMKDH-HOTGVXAUSA-N 1 0 386.456 2.080 20 5 GEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164894115 721383350 /nfs/dbraw/zinc/38/33/50/721383350.db2.gz XTCAJQJVQUHZDS-ICSRJNTNSA-N 1 0 389.500 2.064 20 5 GEBDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164930717 721856463 /nfs/dbraw/zinc/85/64/63/721856463.db2.gz SIQJJERMYSIOOU-HOTGVXAUSA-N 1 0 390.875 2.406 20 5 GEBDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001164934828 721889988 /nfs/dbraw/zinc/88/99/88/721889988.db2.gz UREHRTYNYLUWRI-LSDHHAIUSA-N 1 0 390.875 2.406 20 5 GEBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001165050502 721978547 /nfs/dbraw/zinc/97/85/47/721978547.db2.gz TXSGVUSREVJWTC-OAHLLOKOSA-N 1 0 376.461 2.496 20 5 GEBDRO COc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164979787 722112641 /nfs/dbraw/zinc/11/26/41/722112641.db2.gz PYQMDCWPKFTZPV-VQIMIIECSA-N 1 0 399.451 2.121 20 5 GEBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000069875858 531912969 /nfs/dbraw/zinc/91/29/69/531912969.db2.gz VVLUWYNTCACACY-UHFFFAOYSA-N 1 0 381.376 2.246 20 5 GEBDRO Cc1sc(S(=O)(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000123260336 532096959 /nfs/dbraw/zinc/09/69/59/532096959.db2.gz CZAXUCSPRUSUNV-AWEZNQCLSA-N 1 0 383.495 2.416 20 5 GEBDRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000124541859 532122938 /nfs/dbraw/zinc/12/29/38/532122938.db2.gz MMDRAQWJGYIPID-TVQRCGJNSA-N 1 0 392.275 2.153 20 5 GEBDRO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000178632617 532207966 /nfs/dbraw/zinc/20/79/66/532207966.db2.gz YQXWFMJTAPWMLL-GFCCVEGCSA-N 1 0 383.246 2.076 20 5 GEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2ccc(F)c(Cl)c2)c1 ZINC000179075149 532221769 /nfs/dbraw/zinc/22/17/69/532221769.db2.gz LAMZGDCDBLOMLZ-UHFFFAOYSA-N 1 0 387.820 2.455 20 5 GEBDRO CC(C)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1Br ZINC000181524043 532300045 /nfs/dbraw/zinc/30/00/45/532300045.db2.gz QEZQCFQZRQUZPI-GFCCVEGCSA-N 1 0 383.246 2.440 20 5 GEBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000373912319 532478764 /nfs/dbraw/zinc/47/87/64/532478764.db2.gz PMYVIGQURPIDTI-ILWJIGKKSA-N 1 0 379.360 2.256 20 5 GEBDRO C[C@@H](CCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000563117774 532497171 /nfs/dbraw/zinc/49/71/71/532497171.db2.gz YFMOGGOJTRVXLG-QMMMGPOBSA-N 1 0 377.182 2.057 20 5 GEBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000262048125 532582919 /nfs/dbraw/zinc/58/29/19/532582919.db2.gz QSAWBEPJNVYJPX-ZDUSSCGKSA-N 1 0 389.193 2.010 20 5 GEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000284300666 532585097 /nfs/dbraw/zinc/58/50/97/532585097.db2.gz JKIKRBWGMWFVJF-NSHDSACASA-N 1 0 399.289 2.031 20 5 GEBDRO CC(C)[C@H]([NH3+])CCNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000595947061 532579227 /nfs/dbraw/zinc/57/92/27/532579227.db2.gz HCILFIZPHRDDCA-GFCCVEGCSA-N 1 0 391.209 2.303 20 5 GEBDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000567868945 532668381 /nfs/dbraw/zinc/66/83/81/532668381.db2.gz LDIJULGSIIBTQZ-JTQLQIEISA-N 1 0 381.376 2.234 20 5 GEBDRO C[NH+](C)C[C@@H]1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000264938888 532684850 /nfs/dbraw/zinc/68/48/50/532684850.db2.gz HKVLWILCJHMUPN-JTQLQIEISA-N 1 0 381.376 2.276 20 5 GEBDRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440350409 532709891 /nfs/dbraw/zinc/70/98/91/532709891.db2.gz OQODFAUQTPBCGQ-JOYOIKCWSA-N 1 0 392.275 2.248 20 5 GEBDRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000440356445 532712566 /nfs/dbraw/zinc/71/25/66/532712566.db2.gz OFVSZIZNFHTHMD-SECBINFHSA-N 1 0 392.275 2.105 20 5 GEBDRO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440411408 532712758 /nfs/dbraw/zinc/71/27/58/532712758.db2.gz ZNFOBOJLBSJBER-SKDRFNHKSA-N 1 0 392.275 2.153 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000440424982 532713595 /nfs/dbraw/zinc/71/35/95/532713595.db2.gz GOPTVCBZZRDZOT-QPUJVOFHSA-N 1 0 392.275 2.024 20 5 GEBDRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000440426642 532714256 /nfs/dbraw/zinc/71/42/56/532714256.db2.gz QHDFJMRXRASWNU-ZJUUUORDSA-N 1 0 392.275 2.105 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c(C(F)(F)F)c1 ZINC000440435173 532714848 /nfs/dbraw/zinc/71/48/48/532714848.db2.gz GJBZYILPJYQIAS-NSHDSACASA-N 1 0 379.360 2.129 20 5 GEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000286127150 532729549 /nfs/dbraw/zinc/72/95/49/532729549.db2.gz WDHHYRLXQBXSAB-JOYOIKCWSA-N 1 0 379.841 2.348 20 5 GEBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000610905317 532719409 /nfs/dbraw/zinc/71/94/09/532719409.db2.gz LSYNMXBUVVTMEZ-CYBMUJFWSA-N 1 0 386.246 2.198 20 5 GEBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)c(Br)c1 ZINC000301560290 532754438 /nfs/dbraw/zinc/75/44/38/532754438.db2.gz KDILMMHOXQMRGD-NEPJUHHUSA-N 1 0 385.262 2.178 20 5 GEBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301702344 532758041 /nfs/dbraw/zinc/75/80/41/532758041.db2.gz UEKNLPXYBHVJDV-AWEZNQCLSA-N 1 0 398.305 2.359 20 5 GEBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCC1 ZINC000445744486 532754040 /nfs/dbraw/zinc/75/40/40/532754040.db2.gz VTQILVCICCSFQX-UHFFFAOYSA-N 1 0 381.376 2.376 20 5 GEBDRO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCC([NH2+]C2CC2)CC1 ZINC000269312557 532779782 /nfs/dbraw/zinc/77/97/82/532779782.db2.gz ZHYBGVQYDJOORB-UHFFFAOYSA-N 1 0 375.397 2.312 20 5 GEBDRO C[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@H]1[NH+](C)C ZINC000330663954 532824493 /nfs/dbraw/zinc/82/44/93/532824493.db2.gz XYGKBGRJKPGICB-IINYFYTJSA-N 1 0 385.262 2.178 20 5 GEBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000359996624 209211613 /nfs/dbraw/zinc/21/16/13/209211613.db2.gz RPGURXGUKHNYGV-CWRNSKLLSA-N 1 0 379.461 2.417 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@@H](O)C(F)(F)F)c1 ZINC000289945902 532868830 /nfs/dbraw/zinc/86/88/30/532868830.db2.gz PVRZHMYGYYZGSL-SECBINFHSA-N 1 0 390.099 2.212 20 5 GEBDRO C[C@@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000292042559 532912133 /nfs/dbraw/zinc/91/21/33/532912133.db2.gz XXADJOKENYYWSU-JTQLQIEISA-N 1 0 375.256 2.267 20 5 GEBDRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C2)C1 ZINC000292057086 532912457 /nfs/dbraw/zinc/91/24/57/532912457.db2.gz OGEOAEOBAIHRDQ-CQSZACIVSA-N 1 0 377.825 2.104 20 5 GEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000368550068 532933393 /nfs/dbraw/zinc/93/33/93/532933393.db2.gz FSTHTXSWEXRTMS-GHMZBOCLSA-N 1 0 383.246 2.451 20 5 GEBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)[C@H](C)C1 ZINC000736617622 599063412 /nfs/dbraw/zinc/06/34/12/599063412.db2.gz ZIACQLIVPBHBKW-CJNGLKHVSA-N 1 0 389.460 2.324 20 5 GEBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821614723 599081333 /nfs/dbraw/zinc/08/13/33/599081333.db2.gz SBEFCPXXSCNVJA-MRXNPFEDSA-N 1 0 379.424 2.486 20 5 GEBDRO O=[N+]([O-])c1cnc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)c(-c2nn[nH]n2)c1 ZINC000823652279 599203751 /nfs/dbraw/zinc/20/37/51/599203751.db2.gz YIGNWCJMPJQGAD-AWEZNQCLSA-N 1 0 384.400 2.402 20 5 GEBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(-c2nn[nH]n2)c1 ZINC000820426359 599393036 /nfs/dbraw/zinc/39/30/36/599393036.db2.gz ITNMYWIJAAFANO-NSHDSACASA-N 1 0 382.380 2.492 20 5 GEBDRO COc1ccc(OCC[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)c([N+](=O)[O-])c1 ZINC000821842582 599559388 /nfs/dbraw/zinc/55/93/88/599559388.db2.gz SGUCVXLVEWPZQA-UHFFFAOYSA-N 1 0 384.396 2.294 20 5 GEBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000445738983 649965162 /nfs/dbraw/zinc/96/51/62/649965162.db2.gz DFDIWSHPOQGFRV-UHFFFAOYSA-N 1 0 392.275 2.120 20 5 GEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820761629 606470761 /nfs/dbraw/zinc/47/07/61/606470761.db2.gz YVQIGNFOCVSBMS-DYVFJYSZSA-N 1 0 394.439 2.492 20 5 GEBDRO CC1CC[NH+](C[C@H]2CCCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C2)CC1 ZINC000820723032 606704454 /nfs/dbraw/zinc/70/44/54/606704454.db2.gz UHTBFFGQTKTDEE-CQSZACIVSA-N 1 0 386.460 2.118 20 5 GEBDRO Cc1ccc([C@@H](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000822230564 606706988 /nfs/dbraw/zinc/70/69/88/606706988.db2.gz KBUBHGOVJBAHDY-CYBMUJFWSA-N 1 0 384.400 2.320 20 5 GEBDRO C[N@@H+]1CCC[C@H]2CN(c3cc(-c4nn[nH]n4)c4cc([N+](=O)[O-])ccc4n3)CC[C@H]21 ZINC000821625064 607030449 /nfs/dbraw/zinc/03/04/49/607030449.db2.gz FALKAARTJCOKPK-YVEFUNNKSA-N 1 0 394.439 2.244 20 5 GEBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000823620443 607163429 /nfs/dbraw/zinc/16/34/29/607163429.db2.gz KZJZKKWNXZILLY-ZDUSSCGKSA-N 1 0 384.400 2.402 20 5 GEBDRO COc1ccc(C[C@](C)([NH3+])CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])cc1 ZINC000826191069 607838285 /nfs/dbraw/zinc/83/82/85/607838285.db2.gz WGCGWNPDBPYVHW-SFHVURJKSA-N 1 0 383.412 2.156 20 5 GEBDRO CC[N@@H+]1C[C@H](C)N(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C ZINC000825450558 608232233 /nfs/dbraw/zinc/23/22/33/608232233.db2.gz AUXCDNVBQOAQRT-RYUDHWBXSA-N 1 0 382.428 2.242 20 5 GEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824384367 608285131 /nfs/dbraw/zinc/28/51/31/608285131.db2.gz BEKBFKIWNIFZLF-LLVKDONJSA-N 1 0 399.386 2.421 20 5 GEBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554931 608460262 /nfs/dbraw/zinc/46/02/62/608460262.db2.gz SXJUAAYTPPMDOX-LBPRGKRZSA-N 1 0 393.407 2.015 20 5 GEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826304682 608460393 /nfs/dbraw/zinc/46/03/93/608460393.db2.gz ULSWPEGNOLZOJU-GFCCVEGCSA-N 1 0 381.396 2.373 20 5 GEBDRO Cc1cc(C)c([N+](=O)[O-])c(N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826263603 609384987 /nfs/dbraw/zinc/38/49/87/609384987.db2.gz JLKPKAFIUFESAV-UHFFFAOYSA-N 1 0 396.455 2.355 20 5 GEBDRO COc1ccc(CSCC(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000449720727 650047743 /nfs/dbraw/zinc/04/77/43/650047743.db2.gz NJNSJMJURAAEDZ-LBPRGKRZSA-N 1 0 381.376 2.233 20 5 GEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)CCO2)s1 ZINC000507862345 650468616 /nfs/dbraw/zinc/46/86/16/650468616.db2.gz UXDAUDKXHKJRST-GFCCVEGCSA-N 1 0 382.463 2.227 20 5 GEBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000480392343 650620584 /nfs/dbraw/zinc/62/05/84/650620584.db2.gz JTGYDCKUNMSHMZ-UHFFFAOYSA-N 1 0 394.291 2.320 20 5 GEBDRO C[NH+](C)CCNC(=S)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000007369319 642338290 /nfs/dbraw/zinc/33/82/90/642338290.db2.gz GJBPGIVHUHAPIK-UHFFFAOYSA-N 1 0 379.408 2.051 20 5 GEBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000489858035 650764793 /nfs/dbraw/zinc/76/47/93/650764793.db2.gz KKIUHUFDFOHBAX-UHFFFAOYSA-N 1 0 394.291 2.368 20 5 GEBDRO O=C(C[NH2+][C@@H]1CCO[C@@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000494438081 650808428 /nfs/dbraw/zinc/80/84/28/650808428.db2.gz QDAPRJNVWOHAMX-UKRRQHHQSA-N 1 0 384.230 2.453 20 5 GEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000537941291 650826136 /nfs/dbraw/zinc/82/61/36/650826136.db2.gz NQRHSBDXNQDVMW-UONOGXRCSA-N 1 0 387.527 2.479 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000124907037 643692745 /nfs/dbraw/zinc/69/27/45/643692745.db2.gz AGDLMECROXPVCM-ZJUUUORDSA-N 1 0 392.275 2.214 20 5 GEBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)C[C@H](C)[NH2+]1 ZINC000153197100 643979248 /nfs/dbraw/zinc/97/92/48/643979248.db2.gz MOPFWIJFEUMBKM-IUCAKERBSA-N 1 0 389.193 2.022 20 5 GEBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000154205226 644025660 /nfs/dbraw/zinc/02/56/60/644025660.db2.gz DOJFEMRXDKRRRZ-BDAKNGLRSA-N 1 0 389.193 2.151 20 5 GEBDRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000178927504 644444816 /nfs/dbraw/zinc/44/48/16/644444816.db2.gz GYBAIGXDZGMODJ-VIFPVBQESA-N 1 0 392.275 2.105 20 5 GEBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000178932564 644445286 /nfs/dbraw/zinc/44/52/86/644445286.db2.gz QYMCAXGCBIHNDM-SNVBAGLBSA-N 1 0 392.275 2.120 20 5 GEBDRO C[C@@H](CSC(C)(C)C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000180940119 644519430 /nfs/dbraw/zinc/51/94/30/644519430.db2.gz KVPXODRYJRRLFV-LBPRGKRZSA-N 1 0 375.516 2.383 20 5 GEBDRO O=C(NCC[N@@H+]1CCCOCC1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000188529814 645116388 /nfs/dbraw/zinc/11/63/88/645116388.db2.gz WCJSSLZULZOIGL-UHFFFAOYSA-N 1 0 387.234 2.201 20 5 GEBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000236601177 645413746 /nfs/dbraw/zinc/41/37/46/645413746.db2.gz ZKLZVNBPFNKACI-SECBINFHSA-N 1 0 391.209 2.303 20 5 GEBDRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000236721912 645418578 /nfs/dbraw/zinc/41/85/78/645418578.db2.gz CAMWKRAVGPIVCS-CYBMUJFWSA-N 1 0 394.291 2.399 20 5 GEBDRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000237933829 645448127 /nfs/dbraw/zinc/44/81/27/645448127.db2.gz UMOHKVVQYXFEJD-GXSJLCMTSA-N 1 0 392.275 2.153 20 5 GEBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267244113 645891741 /nfs/dbraw/zinc/89/17/41/645891741.db2.gz NBNXBQJZJNYNAJ-ZDUSSCGKSA-N 1 0 398.305 2.359 20 5 GEBDRO C[C@H](O)C[NH+]1CCC(CN(C)c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267298597 645896687 /nfs/dbraw/zinc/89/66/87/645896687.db2.gz ZYIIQSIMPZDKTR-NSHDSACASA-N 1 0 387.278 2.281 20 5 GEBDRO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000277677624 646460600 /nfs/dbraw/zinc/46/06/00/646460600.db2.gz GOQNGBAULXJKNT-LBPRGKRZSA-N 1 0 391.877 2.027 20 5 GEBDRO Cc1c(Br)cc(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000285989845 646863844 /nfs/dbraw/zinc/86/38/44/646863844.db2.gz YHTFPYTZQFRPRU-HUUCEWRRSA-N 1 0 398.257 2.211 20 5 GEBDRO COCC1(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000323972981 647299602 /nfs/dbraw/zinc/29/96/02/647299602.db2.gz CUWGLOUZZJSWNK-UHFFFAOYSA-N 1 0 386.246 2.103 20 5 GEBDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000331352845 647381451 /nfs/dbraw/zinc/38/14/51/647381451.db2.gz XNFDOPICVDGAAP-UHFFFAOYSA-N 1 0 392.275 2.074 20 5 GEBDRO CS[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1[NH+]1CCCC1 ZINC000332107601 647411962 /nfs/dbraw/zinc/41/19/62/647411962.db2.gz ZWGMGJZISMTYMA-LSDHHAIUSA-N 1 0 385.511 2.104 20 5 GEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(Cn3cc(Br)cn3)CC2)n1 ZINC000364908279 647648143 /nfs/dbraw/zinc/64/81/43/647648143.db2.gz BYZPZSJPBYTIEF-UHFFFAOYSA-N 1 0 383.250 2.163 20 5 GEBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCN2CCOC[C@H]2C1 ZINC000408198388 647935972 /nfs/dbraw/zinc/93/59/72/647935972.db2.gz MUNMBIHXEQPQGB-GFCCVEGCSA-N 1 0 393.241 2.426 20 5 GEBDRO CC(C)[N@H+](C)C[C@H](C)Nc1c(I)cncc1[N+](=O)[O-] ZINC000418962437 648326106 /nfs/dbraw/zinc/32/61/06/648326106.db2.gz GYDNYKJSJXMPNJ-VIFPVBQESA-N 1 0 378.214 2.157 20 5 GEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000420370778 648414465 /nfs/dbraw/zinc/41/44/65/648414465.db2.gz PCJDJNOQVRGAOZ-IQMDTDKHSA-N 1 0 385.262 2.272 20 5 GEBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@H](C)N1C ZINC000549537410 651098544 /nfs/dbraw/zinc/09/85/44/651098544.db2.gz BTXAUQHWOLZLSO-AOOOYVTPSA-N 1 0 381.376 2.327 20 5 GEBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000558490821 651280695 /nfs/dbraw/zinc/28/06/95/651280695.db2.gz IJMNCFJSFKJPNP-NWDGAFQWSA-N 1 0 376.194 2.448 20 5 GEBDRO O=[N+]([O-])c1cc(Br)cnc1N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000610769564 651684388 /nfs/dbraw/zinc/68/43/88/651684388.db2.gz KHMYCNOBONEHMP-CYBMUJFWSA-N 1 0 385.262 2.443 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C/C=C\c2ccc(Br)cc2)c1 ZINC000571790885 651854039 /nfs/dbraw/zinc/85/40/39/651854039.db2.gz GLJWDVZHTKTDGQ-OYADATRGSA-N 1 0 381.230 2.218 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Br)c(F)c2)c1 ZINC000573084206 651933875 /nfs/dbraw/zinc/93/38/75/651933875.db2.gz WAEZCGDWJZPOAN-SLEUVZQESA-N 1 0 399.220 2.200 20 5 GEBDRO C[C@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[N@@H+]1C ZINC000742309057 651978050 /nfs/dbraw/zinc/97/80/50/651978050.db2.gz KHXKXOVNRPQLEP-VHSXEESVSA-N 1 0 392.275 2.118 20 5 GEBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000576585550 652129331 /nfs/dbraw/zinc/12/93/31/652129331.db2.gz ATUOHWLDFODXJJ-HTQZYQBOSA-N 1 0 391.209 2.363 20 5 GEBDRO [NH3+]CCC1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000577642458 652204183 /nfs/dbraw/zinc/20/41/83/652204183.db2.gz HFQMROUOIWVSHI-UHFFFAOYSA-N 1 0 392.275 2.107 20 5 GEBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000580093834 652366550 /nfs/dbraw/zinc/36/65/50/652366550.db2.gz LQZGULPEJYRTJW-LLVKDONJSA-N 1 0 388.262 2.180 20 5 GEBDRO C[C@H](CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)[S@@](C)=O ZINC000580178425 652369021 /nfs/dbraw/zinc/36/90/21/652369021.db2.gz XTVVGQANQAWUAY-AYLIAGHASA-N 1 0 396.250 2.446 20 5 GEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588864053 652557257 /nfs/dbraw/zinc/55/72/57/652557257.db2.gz YMCDTXSHJHDKST-CHWSQXEVSA-N 1 0 385.873 2.008 20 5 GEBDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000589296733 652564979 /nfs/dbraw/zinc/56/49/79/652564979.db2.gz DDLWVRUUWOECGS-SNVBAGLBSA-N 1 0 394.291 2.364 20 5 GEBDRO CSC1(CNS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000589295371 652565028 /nfs/dbraw/zinc/56/50/28/652565028.db2.gz ZMVKPJIZWPHKPP-UHFFFAOYSA-N 1 0 387.527 2.317 20 5 GEBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000592547122 652599446 /nfs/dbraw/zinc/59/94/46/652599446.db2.gz NXQCEBKEGAGWAN-DTWKUNHWSA-N 1 0 389.193 2.022 20 5 GEBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)CCO2 ZINC000592898388 652607317 /nfs/dbraw/zinc/60/73/17/652607317.db2.gz HBQVPQRJKDZGFG-UHFFFAOYSA-N 1 0 398.257 2.294 20 5 GEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000593732440 652634036 /nfs/dbraw/zinc/63/40/36/652634036.db2.gz MLGKCYRCSHUQGK-UHFFFAOYSA-N 1 0 381.376 2.282 20 5 GEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000598452765 652816661 /nfs/dbraw/zinc/81/66/61/652816661.db2.gz MAADJFNPSJXMDI-OAHLLOKOSA-N 1 0 398.257 2.029 20 5 GEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000599102190 652849626 /nfs/dbraw/zinc/84/96/26/652849626.db2.gz PBXNLOXGNNKNEP-QWRGUYRKSA-N 1 0 381.376 2.051 20 5 GEBDRO Cc1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000599102950 652849644 /nfs/dbraw/zinc/84/96/44/652849644.db2.gz RJRUVSNVWHHVRD-JQWIXIFHSA-N 1 0 381.376 2.051 20 5 GEBDRO C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000767809123 652951224 /nfs/dbraw/zinc/95/12/24/652951224.db2.gz YRBNBGHALLBCPG-SECBINFHSA-N 1 0 377.455 2.294 20 5 GEBDRO O=[N+]([O-])c1nn(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Br ZINC000772828560 653168292 /nfs/dbraw/zinc/16/82/92/653168292.db2.gz MPRAMDWEXVEVRB-FZMZJTMJSA-N 1 0 384.278 2.460 20 5 GEBDRO CCNC(=O)N1CC[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602565281 653191104 /nfs/dbraw/zinc/19/11/04/653191104.db2.gz DVZQVNYSTXUQRS-MRVPVSSYSA-N 1 0 377.264 2.312 20 5 GEBDRO CCNC(=O)N1CC[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602565282 653191185 /nfs/dbraw/zinc/19/11/85/653191185.db2.gz DVZQVNYSTXUQRS-QMMMGPOBSA-N 1 0 377.264 2.312 20 5 GEBDRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602574987 653192157 /nfs/dbraw/zinc/19/21/57/653192157.db2.gz DDEJYPKEHBMUGA-GFCCVEGCSA-N 1 0 381.376 2.127 20 5 GEBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809813286 653297916 /nfs/dbraw/zinc/29/79/16/653297916.db2.gz VPNLVZUHCOLPIZ-JTQLQIEISA-N 1 0 379.841 2.398 20 5 GEBDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000809861023 653311569 /nfs/dbraw/zinc/31/15/69/653311569.db2.gz KUUYKJYUQLNUOY-JTQLQIEISA-N 1 0 394.291 2.364 20 5 GEBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000700977024 653318755 /nfs/dbraw/zinc/31/87/55/653318755.db2.gz YWIPDNHWCRKIBG-HTQZYQBOSA-N 1 0 377.182 2.055 20 5 GEBDRO CS[C@@H]1CN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C[C@H]1[NH+](C)C ZINC000779916457 653616283 /nfs/dbraw/zinc/61/62/83/653616283.db2.gz ASQFOULEWWSEKG-VXGBXAGGSA-N 1 0 393.918 2.223 20 5 GEBDRO C[C@H](CNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000814138654 653624153 /nfs/dbraw/zinc/62/41/53/653624153.db2.gz YZSUPPCLGXEZRW-LLVKDONJSA-N 1 0 387.278 2.107 20 5 GEBDRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000780868338 653634585 /nfs/dbraw/zinc/63/45/85/653634585.db2.gz WKUWEPBYFRZKHT-SNVBAGLBSA-N 1 0 381.376 2.376 20 5 GEBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000814990250 653642079 /nfs/dbraw/zinc/64/20/79/653642079.db2.gz JIMCIGVIEUNOFG-NEPJUHHUSA-N 1 0 377.825 2.292 20 5 GEBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815018905 653644156 /nfs/dbraw/zinc/64/41/56/653644156.db2.gz DKFJFFLBECPRCR-JTQLQIEISA-N 1 0 379.841 2.350 20 5 GEBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cc([N+](=O)[O-])ncc1Br ZINC000863031613 653700565 /nfs/dbraw/zinc/70/05/65/653700565.db2.gz IPKQFWHETYSAKG-LLVKDONJSA-N 1 0 383.246 2.499 20 5 GEBDRO NC(=O)c1cn(CCCC[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])nn1 ZINC000840979030 653704497 /nfs/dbraw/zinc/70/44/97/653704497.db2.gz YTGLPYGBIKUQPO-UHFFFAOYSA-N 1 0 387.227 2.162 20 5 GEBDRO C[C@@H](CCC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841235334 653711904 /nfs/dbraw/zinc/71/19/04/653711904.db2.gz XWKAXHCGESTUQL-QMMMGPOBSA-N 1 0 392.197 2.448 20 5 GEBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ncc3Br)C2)C1 ZINC000818170396 653726921 /nfs/dbraw/zinc/72/69/21/653726921.db2.gz ODKMHYZLQQXXJL-HNNXBMFYSA-N 1 0 383.246 2.310 20 5 GEBDRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000819149108 653744395 /nfs/dbraw/zinc/74/43/95/653744395.db2.gz HAPSQGPFDHZPQB-INIZCTEOSA-N 1 0 384.841 2.475 20 5 GEBDRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000819264572 653747342 /nfs/dbraw/zinc/74/73/42/653747342.db2.gz XGSOJSKICQWDGY-OAHLLOKOSA-N 1 0 384.841 2.475 20 5 GEBDRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000819911702 653762036 /nfs/dbraw/zinc/76/20/36/653762036.db2.gz LRDAYFNBZIKDRR-TVQRCGJNSA-N 1 0 377.825 2.102 20 5 GEBDRO C[C@H](NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000842699646 653763563 /nfs/dbraw/zinc/76/35/63/653763563.db2.gz PBSZXTPXCATVEC-UWVGGRQHSA-N 1 0 392.275 2.024 20 5 GEBDRO CC[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[C@H]1[NH3+] ZINC000842798221 653768037 /nfs/dbraw/zinc/76/80/37/653768037.db2.gz OCKBGCDKOHGMBM-JOYOIKCWSA-N 1 0 392.275 2.105 20 5 GEBDRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000842869703 653771167 /nfs/dbraw/zinc/77/11/67/653771167.db2.gz PAIOXGOESKXBTH-SECBINFHSA-N 1 0 380.264 2.153 20 5 GEBDRO CC(C)(CCC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000842876213 653771536 /nfs/dbraw/zinc/77/15/36/653771536.db2.gz RPBXUMOPJKIKQG-UHFFFAOYSA-N 1 0 380.264 2.153 20 5 GEBDRO CS[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000790903748 653800414 /nfs/dbraw/zinc/80/04/14/653800414.db2.gz AFLQLBTXGYWVSD-UONOGXRCSA-N 1 0 375.853 2.434 20 5 GEBDRO O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000882726602 653800600 /nfs/dbraw/zinc/80/06/00/653800600.db2.gz YFOCODRTKKXANP-ZDUSSCGKSA-N 1 0 385.262 2.490 20 5 GEBDRO C[NH+](C)CCCOC(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC000791840643 653826710 /nfs/dbraw/zinc/82/67/10/653826710.db2.gz QOGSHOCKIOJAOK-UHFFFAOYSA-N 1 0 378.166 2.308 20 5 GEBDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000883359090 653837007 /nfs/dbraw/zinc/83/70/07/653837007.db2.gz YCESEEJDXLIUGP-LLVKDONJSA-N 1 0 385.262 2.498 20 5 GEBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC[C@@H]1CC1(Cl)Cl ZINC000823247483 653859772 /nfs/dbraw/zinc/85/97/72/653859772.db2.gz GGENJBDBGOXVHK-LLVKDONJSA-N 1 0 396.296 2.389 20 5 GEBDRO Cn1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(Br)n1 ZINC000896280706 653872453 /nfs/dbraw/zinc/87/24/53/653872453.db2.gz AYZGSCRTAJNPEA-UHFFFAOYSA-N 1 0 395.261 2.244 20 5 GEBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000795782832 653966071 /nfs/dbraw/zinc/96/60/71/653966071.db2.gz AHDHXRIZEFBDMB-UHFFFAOYSA-N 1 0 379.841 2.492 20 5 GEBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795868519 653973085 /nfs/dbraw/zinc/97/30/85/653973085.db2.gz PMSUWOQZZMWOQT-SNVBAGLBSA-N 1 0 379.841 2.492 20 5 GEBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000848376694 653973642 /nfs/dbraw/zinc/97/36/42/653973642.db2.gz HBJUSPNNAGGMGB-NSHDSACASA-N 1 0 388.262 2.180 20 5 GEBDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)CC[C@@H]21 ZINC000795882894 653974783 /nfs/dbraw/zinc/97/47/83/653974783.db2.gz CCTSZYLNMQYWQR-MFKMUULPSA-N 1 0 391.852 2.492 20 5 GEBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000795952064 653979668 /nfs/dbraw/zinc/97/96/68/653979668.db2.gz DQBXWLSFJDNYQR-JTQLQIEISA-N 1 0 379.841 2.492 20 5 GEBDRO C[NH+]1CCN(CCCNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000899991743 654046098 /nfs/dbraw/zinc/04/60/98/654046098.db2.gz YJEMSYACENBOGE-UHFFFAOYSA-N 1 0 393.246 2.408 20 5 GEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)C1CC1 ZINC000850519446 654081222 /nfs/dbraw/zinc/08/12/22/654081222.db2.gz MTCDASMXCMWESB-CYBMUJFWSA-N 1 0 380.388 2.483 20 5 GEBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc([N+](=O)[O-])ncc1Br ZINC000830530073 654124299 /nfs/dbraw/zinc/12/42/99/654124299.db2.gz VKFKFAOMDASVQW-LLVKDONJSA-N 1 0 383.246 2.499 20 5 GEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889763901 654170063 /nfs/dbraw/zinc/17/00/63/654170063.db2.gz OVXYKOZLIIUGQH-GJZGRUSLSA-N 1 0 398.257 2.029 20 5 GEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889770371 654171033 /nfs/dbraw/zinc/17/10/33/654171033.db2.gz ZVATXQULKOAUAH-GJZGRUSLSA-N 1 0 398.257 2.029 20 5 GEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889770372 654171220 /nfs/dbraw/zinc/17/12/20/654171220.db2.gz ZVATXQULKOAUAH-HUUCEWRRSA-N 1 0 398.257 2.029 20 5 GEBDRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000851812976 654180758 /nfs/dbraw/zinc/18/07/58/654180758.db2.gz QAQVZWKHQGBKQT-JTQLQIEISA-N 1 0 379.841 2.492 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000903593603 654265747 /nfs/dbraw/zinc/26/57/47/654265747.db2.gz QMJSKBJKTNLHPE-ZDUSSCGKSA-N 1 0 380.253 2.418 20 5 GEBDRO C[C@@]1(NC(=O)Nc2ccc([N+](=O)[O-])c(I)c2)CC[NH2+]C1 ZINC000853319930 654292128 /nfs/dbraw/zinc/29/21/28/654292128.db2.gz KYFAQPBLPVDCGN-GFCCVEGCSA-N 1 0 390.181 2.073 20 5 GEBDRO Cn1ncc(I)c1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000894296736 654463313 /nfs/dbraw/zinc/46/33/13/654463313.db2.gz AAPDRMIDBGXIEW-UHFFFAOYSA-N 1 0 386.193 2.265 20 5 GEBDRO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)CC[N@@H+]1C ZINC000928437258 654647082 /nfs/dbraw/zinc/64/70/82/654647082.db2.gz BTGCZAKJVNVIFM-UFBFGSQYSA-N 1 0 389.193 2.022 20 5 GEBDRO CN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000932540122 654780577 /nfs/dbraw/zinc/78/05/77/654780577.db2.gz UWUWYUVRXANTCF-CYBMUJFWSA-N 1 0 383.246 2.106 20 5 GEBDRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])c(OC)n3)CC2)CC1 ZINC001164614812 719023420 /nfs/dbraw/zinc/02/34/20/719023420.db2.gz YYTGWHKSXLQFIM-UHFFFAOYSA-N 1 0 392.456 2.242 20 5 GEBDRO CC(C)N(C)Cc1nn(-c2ncnc3cc([N+](=O)[O-])ccc32)c2c1CC[NH2+]C2 ZINC001164684880 719618698 /nfs/dbraw/zinc/61/86/98/719618698.db2.gz YNXBQKYHOWHZLC-UHFFFAOYSA-N 1 0 381.440 2.210 20 5 GEBDRO CC(C)Oc1nc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)ccc1[N+](=O)[O-] ZINC001164679741 719642973 /nfs/dbraw/zinc/64/29/73/719642973.db2.gz LGDDVCOJYLQMJS-UHFFFAOYSA-N 1 0 388.472 2.449 20 5 GEBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC001164805853 720092896 /nfs/dbraw/zinc/09/28/96/720092896.db2.gz ABAOKUYKPZETJR-KBXCAEBGSA-N 1 0 391.428 2.083 20 5 GEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721064 720341424 /nfs/dbraw/zinc/34/14/24/720341424.db2.gz ABIZDSNLIDSHOB-IAGOWNOFSA-N 1 0 383.408 2.025 20 5 GEBDRO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164732260 720469481 /nfs/dbraw/zinc/46/94/81/720469481.db2.gz YVNIVLKYWMVVPY-SJORKVTESA-N 1 0 397.435 2.415 20 5 GEBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc([N+](=O)[O-])c(N)n3)CC[C@@H]21 ZINC001164834957 720562121 /nfs/dbraw/zinc/56/21/21/720562121.db2.gz GCGIYZXULNMQGD-JYJNAYRXSA-N 1 0 385.472 2.146 20 5 GEBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc([N+](=O)[O-])cc[n+]1[O-])CC2 ZINC001164844211 720659299 /nfs/dbraw/zinc/65/92/99/720659299.db2.gz YLPGGHLSZHIVJG-LJQANCHMSA-N 1 0 398.463 2.488 20 5 GEBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)CC[C@@H]2C1 ZINC001164855494 720852830 /nfs/dbraw/zinc/85/28/30/720852830.db2.gz NBHITQSWOGZITL-BEFAXECRSA-N 1 0 386.452 2.317 20 5 GEBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)CC[C@H]2C1 ZINC001164855497 720853019 /nfs/dbraw/zinc/85/30/19/720853019.db2.gz NBHITQSWOGZITL-KXBFYZLASA-N 1 0 386.452 2.317 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cnc5cc([N+](=O)[O-])ccc5n4)C[C@@H]3C2)cn1 ZINC001164762136 721090948 /nfs/dbraw/zinc/09/09/48/721090948.db2.gz COSVAUNALWTOQA-CVEARBPZSA-N 1 0 393.451 2.230 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cnc5cc([N+](=O)[O-])ccc5n4)C[C@H]3C2)cn1 ZINC001164762141 721093212 /nfs/dbraw/zinc/09/32/12/721093212.db2.gz COSVAUNALWTOQA-JKSUJKDBSA-N 1 0 393.451 2.230 20 5 GEBDRO CCOc1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164865719 721118023 /nfs/dbraw/zinc/11/80/23/721118023.db2.gz OVKCYHINYKQQRU-IAGOWNOFSA-N 1 0 399.451 2.263 20 5 GEBDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001164932463 721856558 /nfs/dbraw/zinc/85/65/58/721856558.db2.gz XYFZVLHMZKODEH-GJZGRUSLSA-N 1 0 390.875 2.406 20 5 GEBDRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001164934826 721890054 /nfs/dbraw/zinc/89/00/54/721890054.db2.gz UREHRTYNYLUWRI-GJZGRUSLSA-N 1 0 390.875 2.406 20 5 GEBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000163351568 531857481 /nfs/dbraw/zinc/85/74/81/531857481.db2.gz MPRKSEHIDJKIPF-LLVKDONJSA-N 1 0 381.376 2.328 20 5 GEBDRO C[NH+](C)CCn1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000120323203 531982219 /nfs/dbraw/zinc/98/22/19/531982219.db2.gz NPXRMIVJHJHKEU-UHFFFAOYSA-N 1 0 382.218 2.368 20 5 GEBDRO C[C@@H](O)C[NH+]1CCC(CN(C)c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000123667229 532105059 /nfs/dbraw/zinc/10/50/59/532105059.db2.gz YQQIOJXJOGVRKN-LLVKDONJSA-N 1 0 387.278 2.281 20 5 GEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000123882429 532110145 /nfs/dbraw/zinc/11/01/45/532110145.db2.gz NEQLVUSVKVODRR-CQSZACIVSA-N 1 0 388.262 2.444 20 5 GEBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000124849788 532130374 /nfs/dbraw/zinc/13/03/74/532130374.db2.gz DGUDRZNYYLQIEY-SNVBAGLBSA-N 1 0 392.275 2.038 20 5 GEBDRO COCCC[N@H+](C)CCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000125239445 532133944 /nfs/dbraw/zinc/13/39/44/532133944.db2.gz SSTBUFZTIGXARE-UHFFFAOYSA-N 1 0 388.262 2.364 20 5 GEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000176904177 532154186 /nfs/dbraw/zinc/15/41/86/532154186.db2.gz VSQPUUDSSVPTTB-GFCCVEGCSA-N 1 0 388.262 2.444 20 5 GEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178601755 532207392 /nfs/dbraw/zinc/20/73/92/532207392.db2.gz KKYMTLBUIDVUQY-GFCCVEGCSA-N 1 0 398.257 2.152 20 5 GEBDRO COCC[C@H](COC)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000516860087 532394525 /nfs/dbraw/zinc/39/45/25/532394525.db2.gz ZRWCQQQJCIECDF-GFCCVEGCSA-N 1 0 394.209 2.341 20 5 GEBDRO CC(C)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[NH2+]1 ZINC000592380315 532453763 /nfs/dbraw/zinc/45/37/63/532453763.db2.gz QVYNVHSLWCKLMB-GFCCVEGCSA-N 1 0 381.376 2.232 20 5 GEBDRO C[C@H](CCCC[NH3+])NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000521873803 532520519 /nfs/dbraw/zinc/52/05/19/532520519.db2.gz OUHMWBNPOQAIHI-SECBINFHSA-N 1 0 391.209 2.447 20 5 GEBDRO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1nccn1C ZINC000595383951 532562462 /nfs/dbraw/zinc/56/24/62/532562462.db2.gz RWGCBYSZHUWHOO-MRVPVSSYSA-N 1 0 389.231 2.130 20 5 GEBDRO Cc1c(Br)cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000378256822 532686300 /nfs/dbraw/zinc/68/63/00/532686300.db2.gz ZOMZTBDCUVFYQH-OLZOCXBDSA-N 1 0 398.257 2.259 20 5 GEBDRO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000440339640 532710034 /nfs/dbraw/zinc/71/00/34/532710034.db2.gz KPWQFWBLPJMLIU-NXEZZACHSA-N 1 0 381.376 2.280 20 5 GEBDRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000440409846 532713413 /nfs/dbraw/zinc/71/34/13/532713413.db2.gz VIYITQCPGLZJLM-VHSXEESVSA-N 1 0 392.275 2.105 20 5 GEBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440430148 532714407 /nfs/dbraw/zinc/71/44/07/532714407.db2.gz DOZLUFIROOELJK-UHFFFAOYSA-N 1 0 380.264 2.153 20 5 GEBDRO [NH3+]C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCCCC1 ZINC000440522884 532716763 /nfs/dbraw/zinc/71/67/63/532716763.db2.gz GFRZXLAYUFKCRN-UHFFFAOYSA-N 1 0 392.275 2.297 20 5 GEBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000610913169 532719921 /nfs/dbraw/zinc/71/99/21/532719921.db2.gz GCCSQNQBSQQULE-ZDUSSCGKSA-N 1 0 398.257 2.340 20 5 GEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000286127142 532730169 /nfs/dbraw/zinc/73/01/69/532730169.db2.gz WDHHYRLXQBXSAB-BXKDBHETSA-N 1 0 379.841 2.348 20 5 GEBDRO O=C(C[NH+]1CCCC1)N1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301179422 532742778 /nfs/dbraw/zinc/74/27/78/532742778.db2.gz HHDNLRRAYPJXQN-UHFFFAOYSA-N 1 0 397.273 2.102 20 5 GEBDRO CC1(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000581879175 532757838 /nfs/dbraw/zinc/75/78/38/532757838.db2.gz SATITXBPRNFQFU-UHFFFAOYSA-N 1 0 389.193 2.071 20 5 GEBDRO C[C@H]1C[N@@H+](C2CCN(c3c(Br)cncc3[N+](=O)[O-])CC2)CCO1 ZINC000301988660 532764336 /nfs/dbraw/zinc/76/43/36/532764336.db2.gz NYMXGOCECKGQSE-NSHDSACASA-N 1 0 385.262 2.442 20 5 GEBDRO COc1cc(C[NH2+]C[C@@]2(O)CCSC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272401188 532815467 /nfs/dbraw/zinc/81/54/67/532815467.db2.gz JWMIRXLIFREFCD-HNNXBMFYSA-N 1 0 378.397 2.205 20 5 GEBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2C[C@H](O)C[C@@H]2CO)cc1 ZINC000359974498 209208455 /nfs/dbraw/zinc/20/84/55/209208455.db2.gz OXHQZHBTZVUOBL-WOJBJXKFSA-N 1 0 394.431 2.375 20 5 GEBDRO CS[C@H]1CN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000332089384 532849110 /nfs/dbraw/zinc/84/91/10/532849110.db2.gz UOYYEWUCIRQPBT-CVEARBPZSA-N 1 0 385.511 2.104 20 5 GEBDRO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000289548000 532858432 /nfs/dbraw/zinc/85/84/32/532858432.db2.gz RSNKLPGTWKRWDM-SECBINFHSA-N 1 0 377.825 2.150 20 5 GEBDRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000420456811 532883709 /nfs/dbraw/zinc/88/37/09/532883709.db2.gz HDIADESIXFVOFA-GFCCVEGCSA-N 1 0 381.376 2.280 20 5 GEBDRO CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290921222 532892911 /nfs/dbraw/zinc/89/29/11/532892911.db2.gz QOJPFHOYXZDAME-SECBINFHSA-N 1 0 382.269 2.273 20 5 GEBDRO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000362635458 532896374 /nfs/dbraw/zinc/89/63/74/532896374.db2.gz ALSHZCBPGDNLSN-HNNXBMFYSA-N 1 0 381.479 2.447 20 5 GEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000371696833 532949404 /nfs/dbraw/zinc/94/94/04/532949404.db2.gz QGJUMGMIXLFSCP-OLZOCXBDSA-N 1 0 385.873 2.320 20 5 GEBDRO Cc1cc[nH+]c(NC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)c1 ZINC000737436134 598672114 /nfs/dbraw/zinc/67/21/14/598672114.db2.gz FJCIBFLUKYODHS-ZDUSSCGKSA-N 1 0 380.412 2.417 20 5 GEBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1c1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821625258 599539248 /nfs/dbraw/zinc/53/92/48/599539248.db2.gz JJDYSTJIMSSSHG-SJORKVTESA-N 1 0 394.439 2.386 20 5 GEBDRO C[C@H]1C[NH+](C(C)(C)CNc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000820742887 606644532 /nfs/dbraw/zinc/64/45/32/606644532.db2.gz NGMJWDKIGZKBHO-RYUDHWBXSA-N 1 0 375.433 2.075 20 5 GEBDRO C[N@@H+]1CCC[C@H]2CN(c3cc(-c4nn[nH]n4)c4cc([N+](=O)[O-])ccc4n3)CC[C@@H]21 ZINC000821625062 607030566 /nfs/dbraw/zinc/03/05/66/607030566.db2.gz FALKAARTJCOKPK-SJCJKPOMSA-N 1 0 394.439 2.244 20 5 GEBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000823648343 607176818 /nfs/dbraw/zinc/17/68/18/607176818.db2.gz VJQRVJNJVDGJQP-GOSISDBHSA-N 1 0 380.408 2.473 20 5 GEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826272284 608464606 /nfs/dbraw/zinc/46/46/06/608464606.db2.gz CBPSMSPFDMJDNR-LBPRGKRZSA-N 1 0 381.396 2.373 20 5 GEBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825139300 608552251 /nfs/dbraw/zinc/55/22/51/608552251.db2.gz DNBFVTDLBLQKLE-SJLPKXTDSA-N 1 0 398.423 2.256 20 5 GEBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000826283029 608554186 /nfs/dbraw/zinc/55/41/86/608554186.db2.gz ISBAIBKSIGZRGP-CYBMUJFWSA-N 1 0 395.423 2.050 20 5 GEBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2sccc2-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000826283322 608554243 /nfs/dbraw/zinc/55/42/43/608554243.db2.gz OQKPPSCNQKJLQT-JTQLQIEISA-N 1 0 387.425 2.434 20 5 GEBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000449749365 650048603 /nfs/dbraw/zinc/04/86/03/650048603.db2.gz FUQSLCVJLKCCGQ-LLVKDONJSA-N 1 0 389.193 2.070 20 5 GEBDRO O=C1CC[C@@H]([NH+]2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)CCN1 ZINC000450891819 650074539 /nfs/dbraw/zinc/07/45/39/650074539.db2.gz LNMGLAWAVAFCBM-CYBMUJFWSA-N 1 0 397.273 2.148 20 5 GEBDRO COc1c(F)cc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000451888610 650150208 /nfs/dbraw/zinc/15/02/08/650150208.db2.gz LHCQPKVHSOHCHH-UHFFFAOYSA-N 1 0 377.438 2.141 20 5 GEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCCC[N@H+]1CCO ZINC000452795646 650197625 /nfs/dbraw/zinc/19/76/25/650197625.db2.gz JQWLXRRYEBHRHX-ZDUSSCGKSA-N 1 0 387.889 2.303 20 5 GEBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000462484183 650481643 /nfs/dbraw/zinc/48/16/43/650481643.db2.gz JJXCNZVYKXWGFU-ONGXEEELSA-N 1 0 392.275 2.118 20 5 GEBDRO Cc1c(Br)cc(C(=O)NCCNc2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC000512799140 650554378 /nfs/dbraw/zinc/55/43/78/650554378.db2.gz ATHXUFHFGGTQQD-UHFFFAOYSA-N 1 0 379.214 2.325 20 5 GEBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC000481393932 650645876 /nfs/dbraw/zinc/64/58/76/650645876.db2.gz RXNQGRYMOMVWRJ-CQSZACIVSA-N 1 0 393.918 2.272 20 5 GEBDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000488419852 650745932 /nfs/dbraw/zinc/74/59/32/650745932.db2.gz KRNKHGTVEHJFPF-IUODEOHRSA-N 1 0 387.527 2.383 20 5 GEBDRO C[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000040452332 642524384 /nfs/dbraw/zinc/52/43/84/642524384.db2.gz KNFUMVOGEBTECC-VIFPVBQESA-N 1 0 389.193 2.023 20 5 GEBDRO CC[N@H+](CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000066577391 642923043 /nfs/dbraw/zinc/92/30/43/642923043.db2.gz PMISYBAKRWIZMM-UHFFFAOYSA-N 1 0 392.275 2.120 20 5 GEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000536694413 650805776 /nfs/dbraw/zinc/80/57/76/650805776.db2.gz QDEVOGSYRHVFHB-WDEREUQCSA-N 1 0 385.262 2.320 20 5 GEBDRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000124567428 643687891 /nfs/dbraw/zinc/68/78/91/643687891.db2.gz VQMLEWRSNMHZIB-GFCCVEGCSA-N 1 0 393.893 2.192 20 5 GEBDRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000124956204 643695524 /nfs/dbraw/zinc/69/55/24/643695524.db2.gz AJVXLIPGBUNNGH-LBPRGKRZSA-N 1 0 394.291 2.351 20 5 GEBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000130532201 643842115 /nfs/dbraw/zinc/84/21/15/643842115.db2.gz LWPPMSAIUMKHDA-SNVBAGLBSA-N 1 0 394.291 2.366 20 5 GEBDRO CC(C)[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000151845555 643956541 /nfs/dbraw/zinc/95/65/41/643956541.db2.gz NBIUMODONZEIJD-UHFFFAOYSA-N 1 0 391.209 2.317 20 5 GEBDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000172955015 644347782 /nfs/dbraw/zinc/34/77/82/644347782.db2.gz HIWRZGYXBMDUHD-UHFFFAOYSA-N 1 0 392.275 2.072 20 5 GEBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000175361288 644389307 /nfs/dbraw/zinc/38/93/07/644389307.db2.gz UDOUZKQRGLWALR-UHFFFAOYSA-N 1 0 394.291 2.368 20 5 GEBDRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000544617448 650946617 /nfs/dbraw/zinc/94/66/17/650946617.db2.gz VVXNIOLWRPFHTF-UHFFFAOYSA-N 1 0 375.878 2.400 20 5 GEBDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000194189843 645315497 /nfs/dbraw/zinc/31/54/97/645315497.db2.gz KTBXCYCHNKCEDR-UHFFFAOYSA-N 1 0 394.291 2.223 20 5 GEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000194700954 645343354 /nfs/dbraw/zinc/34/33/54/645343354.db2.gz OLUAFLONDRJXHH-SNVBAGLBSA-N 1 0 389.193 2.023 20 5 GEBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000246982526 645500350 /nfs/dbraw/zinc/50/03/50/645500350.db2.gz DYWAVUSBCGUNQE-AAEUAGOBSA-N 1 0 397.273 2.464 20 5 GEBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1SC ZINC000267071273 645878309 /nfs/dbraw/zinc/87/83/09/645878309.db2.gz DRRHGBSCYQKBNJ-INIZCTEOSA-N 1 0 385.511 2.492 20 5 GEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000271436394 646206464 /nfs/dbraw/zinc/20/64/64/646206464.db2.gz BPXGGYFXIHZGNK-UONOGXRCSA-N 1 0 387.527 2.337 20 5 GEBDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3ncc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000362201388 647568089 /nfs/dbraw/zinc/56/80/89/647568089.db2.gz WOKAVMOWAYDTKK-CQSZACIVSA-N 1 0 398.305 2.357 20 5 GEBDRO C[NH+](C)CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000362910918 647576188 /nfs/dbraw/zinc/57/61/88/647576188.db2.gz OPZWLJXWIBMPMQ-UHFFFAOYSA-N 1 0 399.289 2.067 20 5 GEBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000363713433 647606722 /nfs/dbraw/zinc/60/67/22/647606722.db2.gz XHRGSQMDHLFGGT-CYBMUJFWSA-N 1 0 398.257 2.340 20 5 GEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000368590832 647760590 /nfs/dbraw/zinc/76/05/90/647760590.db2.gz LBYFTJAUXCUWTE-NHYWBVRUSA-N 1 0 382.258 2.452 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000420448345 648417183 /nfs/dbraw/zinc/41/71/83/648417183.db2.gz LGCJJSFGYMQKPF-JTQLQIEISA-N 1 0 392.275 2.086 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)NC(C)(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000422550157 648558250 /nfs/dbraw/zinc/55/82/50/648558250.db2.gz ABXXJNVKYIBURK-UHFFFAOYSA-N 1 0 380.264 2.071 20 5 GEBDRO C[C@H]1CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000563102430 651510082 /nfs/dbraw/zinc/51/00/82/651510082.db2.gz ZGRZFVPTNJOQML-UFBFGSQYSA-N 1 0 389.193 2.009 20 5 GEBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC12CCOCC2 ZINC000567845938 651637649 /nfs/dbraw/zinc/63/76/49/651637649.db2.gz NJQCTXAZIJKJEQ-LLVKDONJSA-N 1 0 398.257 2.185 20 5 GEBDRO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000731967730 651641328 /nfs/dbraw/zinc/64/13/28/651641328.db2.gz PIOVKSQJBFESFD-SNVBAGLBSA-N 1 0 375.397 2.487 20 5 GEBDRO Cc1cc(Br)cc(C)c1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000571634260 651844911 /nfs/dbraw/zinc/84/49/11/651844911.db2.gz LIFIMJHMMBCIHI-AWEZNQCLSA-N 1 0 383.246 2.321 20 5 GEBDRO CSC1(CNS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000571811694 651855541 /nfs/dbraw/zinc/85/55/41/651855541.db2.gz ZCHOFGLVGDXNJX-UHFFFAOYSA-N 1 0 387.527 2.317 20 5 GEBDRO CSC[C@H](CCO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000574441387 652021910 /nfs/dbraw/zinc/02/19/10/652021910.db2.gz KNOBQJSVVQRUTH-NSHDSACASA-N 1 0 396.250 2.403 20 5 GEBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000576585557 652129614 /nfs/dbraw/zinc/12/96/14/652129614.db2.gz ATUOHWLDFODXJJ-YUMQZZPRSA-N 1 0 391.209 2.363 20 5 GEBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000577166242 652166718 /nfs/dbraw/zinc/16/67/18/652166718.db2.gz ZLELDBHYQSMNGA-KGLIPLIRSA-N 1 0 385.262 2.475 20 5 GEBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000577166243 652166950 /nfs/dbraw/zinc/16/69/50/652166950.db2.gz ZLELDBHYQSMNGA-UONOGXRCSA-N 1 0 385.262 2.475 20 5 GEBDRO COCCC[N@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754975786 652453846 /nfs/dbraw/zinc/45/38/46/652453846.db2.gz DVKKWWGIBDTGNR-UHFFFAOYSA-N 1 0 392.225 2.195 20 5 GEBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000582725184 652460501 /nfs/dbraw/zinc/46/05/01/652460501.db2.gz PAVOOGQEHKHGDN-ZETCQYMHSA-N 1 0 388.165 2.400 20 5 GEBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000592392529 652593269 /nfs/dbraw/zinc/59/32/69/652593269.db2.gz GQTVMNWZZSLAJP-NSHDSACASA-N 1 0 392.275 2.168 20 5 GEBDRO C[C@H]1[NH2+]CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)[C@H]1C ZINC000592547112 652599607 /nfs/dbraw/zinc/59/96/07/652599607.db2.gz NXQCEBKEGAGWAN-BDAKNGLRSA-N 1 0 389.193 2.022 20 5 GEBDRO [NH3+]C[C@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C(F)(F)F ZINC000594452078 652652912 /nfs/dbraw/zinc/65/29/12/652652912.db2.gz WWYAODPNDJFYCV-VIFPVBQESA-N 1 0 375.225 2.155 20 5 GEBDRO O=[N+]([O-])c1cc(Br)cnc1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000596267995 652756857 /nfs/dbraw/zinc/75/68/57/652756857.db2.gz FULDAFRPMNQSBK-UHFFFAOYSA-N 1 0 385.262 2.443 20 5 GEBDRO C[C@@H](CCNC(=O)c1cc(I)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000597991316 652795356 /nfs/dbraw/zinc/79/53/56/652795356.db2.gz DGWWCOZSSRZLMX-VIFPVBQESA-N 1 0 391.209 2.269 20 5 GEBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000765193756 652829990 /nfs/dbraw/zinc/82/99/90/652829990.db2.gz AUSHBLXLFYEUQQ-UHFFFAOYSA-N 1 0 394.291 2.368 20 5 GEBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599674839 652882935 /nfs/dbraw/zinc/88/29/35/652882935.db2.gz JHFZQKMIFOVOPV-GFCCVEGCSA-N 1 0 398.257 2.340 20 5 GEBDRO CS[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000599721714 652885617 /nfs/dbraw/zinc/88/56/17/652885617.db2.gz QEFRMWRCOHZLDM-VXGBXAGGSA-N 1 0 388.287 2.475 20 5 GEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3COC[C@H]3O)o2)c(Br)c1 ZINC000601140140 652956180 /nfs/dbraw/zinc/95/61/80/652956180.db2.gz TWZJISBKAFLMIU-UONOGXRCSA-N 1 0 383.198 2.467 20 5 GEBDRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601363798 653088484 /nfs/dbraw/zinc/08/84/84/653088484.db2.gz XTKWFJQYTLEUSK-CYBMUJFWSA-N 1 0 391.515 2.086 20 5 GEBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000602597611 653193450 /nfs/dbraw/zinc/19/34/50/653193450.db2.gz VYTRMICLAZLMNZ-IONNQARKSA-N 1 0 389.193 2.070 20 5 GEBDRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCSC1 ZINC000809824877 653302600 /nfs/dbraw/zinc/30/26/00/653302600.db2.gz WNVOAOUJQKVGLW-CYBMUJFWSA-N 1 0 397.881 2.103 20 5 GEBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000700977026 653318564 /nfs/dbraw/zinc/31/85/64/653318564.db2.gz YWIPDNHWCRKIBG-SFYZADRCSA-N 1 0 377.182 2.055 20 5 GEBDRO COC(=O)c1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1Br ZINC000877094449 653465777 /nfs/dbraw/zinc/46/57/77/653465777.db2.gz JSLCSZUWKPJCCZ-UHFFFAOYSA-N 1 0 383.202 2.130 20 5 GEBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000859684750 653493542 /nfs/dbraw/zinc/49/35/42/653493542.db2.gz GMLDNTZJDXPOIQ-OIBJUYFYSA-N 1 0 390.181 2.071 20 5 GEBDRO C[C@@H](CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000780703962 653630971 /nfs/dbraw/zinc/63/09/71/653630971.db2.gz ITSIHOISIMVILW-JTQLQIEISA-N 1 0 392.275 2.120 20 5 GEBDRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000780864652 653633897 /nfs/dbraw/zinc/63/38/97/653633897.db2.gz DSQCYMAERKYADH-SNVBAGLBSA-N 1 0 392.275 2.120 20 5 GEBDRO CS[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000815028981 653645831 /nfs/dbraw/zinc/64/58/31/653645831.db2.gz IJDWLSNSAPBALS-NWDGAFQWSA-N 1 0 397.881 2.053 20 5 GEBDRO O=C(COc1cc(Br)ccc1[N+](=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000863359994 653707556 /nfs/dbraw/zinc/70/75/56/653707556.db2.gz WHACTPFQLIPENK-UHFFFAOYSA-N 1 0 398.257 2.479 20 5 GEBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841234627 653711575 /nfs/dbraw/zinc/71/15/75/653711575.db2.gz QIUJIDOZEBBVKY-RNFRBKRXSA-N 1 0 378.170 2.057 20 5 GEBDRO CC(C)[C@@H]([NH3+])CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841943690 653742754 /nfs/dbraw/zinc/74/27/54/653742754.db2.gz NDKGCWBZAYJGQP-ZDUSSCGKSA-N 1 0 385.262 2.408 20 5 GEBDRO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842482648 653757941 /nfs/dbraw/zinc/75/79/41/653757941.db2.gz DEBNHDAFGCPXEL-LLVKDONJSA-N 1 0 380.264 2.009 20 5 GEBDRO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000842483801 653758257 /nfs/dbraw/zinc/75/82/57/653758257.db2.gz QKRXMKQMVVGQIS-LLVKDONJSA-N 1 0 380.264 2.009 20 5 GEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000842689977 653763163 /nfs/dbraw/zinc/76/31/63/653763163.db2.gz MYPOTHMOVPQBHW-BXKDBHETSA-N 1 0 392.275 2.248 20 5 GEBDRO C[C@@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000842699324 653763509 /nfs/dbraw/zinc/76/35/09/653763509.db2.gz KULXWPARDPOXIL-ZJUUUORDSA-N 1 0 392.275 2.024 20 5 GEBDRO C[C@@H](NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000842699648 653763553 /nfs/dbraw/zinc/76/35/53/653763553.db2.gz PBSZXTPXCATVEC-ZJUUUORDSA-N 1 0 392.275 2.024 20 5 GEBDRO CC(C)(CCC[NH3+])NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842875318 653771546 /nfs/dbraw/zinc/77/15/46/653771546.db2.gz NDTXTLQHYJHPCH-UHFFFAOYSA-N 1 0 380.264 2.153 20 5 GEBDRO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842913158 653773481 /nfs/dbraw/zinc/77/34/81/653773481.db2.gz ALSBMEPZGNHBSR-HNNXBMFYSA-N 1 0 381.841 2.495 20 5 GEBDRO O=[N+]([O-])c1cncc(Br)c1N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000882726276 653800693 /nfs/dbraw/zinc/80/06/93/653800693.db2.gz PIKSMBOWJMTAQY-LBPRGKRZSA-N 1 0 385.262 2.490 20 5 GEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC000822150551 653819722 /nfs/dbraw/zinc/81/97/22/653819722.db2.gz GZZBTADMERGKHB-LLVKDONJSA-N 1 0 385.262 2.494 20 5 GEBDRO CC1=NO[C@@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000895304152 653826541 /nfs/dbraw/zinc/82/65/41/653826541.db2.gz GUVFJOXZCXCDEB-GFCCVEGCSA-N 1 0 375.166 2.454 20 5 GEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000823275934 653860674 /nfs/dbraw/zinc/86/06/74/653860674.db2.gz IKPTWLUJPOPUHS-TVQRCGJNSA-N 1 0 383.246 2.106 20 5 GEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000794825590 653921449 /nfs/dbraw/zinc/92/14/49/653921449.db2.gz WBEQMLUXIXSKBU-ZDUSSCGKSA-N 1 0 399.289 2.394 20 5 GEBDRO C[NH+](C)C[C@@H]1CCN(CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795427593 653951730 /nfs/dbraw/zinc/95/17/30/653951730.db2.gz KJXWSJMWJZLKOD-NSHDSACASA-N 1 0 397.273 2.154 20 5 GEBDRO C[C@H](CNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000796176800 653989467 /nfs/dbraw/zinc/98/94/67/653989467.db2.gz LDKCMZVQZPKVJL-GFCCVEGCSA-N 1 0 399.289 2.394 20 5 GEBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796490553 653999146 /nfs/dbraw/zinc/99/91/46/653999146.db2.gz VVQLXQAHMVOIOR-SMDDNHRTSA-N 1 0 375.878 2.446 20 5 GEBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000828958486 654056269 /nfs/dbraw/zinc/05/62/69/654056269.db2.gz FWICJINKIWLMNI-VXGBXAGGSA-N 1 0 383.246 2.248 20 5 GEBDRO C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000900812092 654082177 /nfs/dbraw/zinc/08/21/77/654082177.db2.gz RHHMPABZMKZIKE-RISCZKNCSA-N 1 0 386.905 2.091 20 5 GEBDRO CCO[C@H](CNC(=O)c1sc(Br)cc1[N+](=O)[O-])C[NH+](C)C ZINC000831725281 654203715 /nfs/dbraw/zinc/20/37/15/654203715.db2.gz XQFOJPYQKVMMBC-MRVPVSSYSA-N 1 0 380.264 2.115 20 5 GEBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000853081442 654277682 /nfs/dbraw/zinc/27/76/82/654277682.db2.gz QAUJTXIELFIJNV-SNVBAGLBSA-N 1 0 375.756 2.067 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@H]2CCC[C@@H]2O)c1 ZINC000835085367 654360973 /nfs/dbraw/zinc/36/09/73/654360973.db2.gz SHTXYWAWDGVPPY-MFKMUULPSA-N 1 0 376.194 2.450 20 5 GEBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000926113386 654559635 /nfs/dbraw/zinc/55/96/35/654559635.db2.gz OZVOVZMZQZDDFA-LBPRGKRZSA-N 1 0 389.905 2.440 20 5 GEBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1(Br)CC1 ZINC000926150302 654561039 /nfs/dbraw/zinc/56/10/39/654561039.db2.gz ITLJPBLXEGNXDJ-JTQLQIEISA-N 1 0 377.260 2.274 20 5 GEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000933436620 654812914 /nfs/dbraw/zinc/81/29/14/654812914.db2.gz USEWWHXFMIPGOR-JOYOIKCWSA-N 1 0 385.262 2.352 20 5 GEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000933436618 654812918 /nfs/dbraw/zinc/81/29/18/654812918.db2.gz USEWWHXFMIPGOR-BXKDBHETSA-N 1 0 385.262 2.352 20 5 GEBDRO O=[N+]([O-])c1cccc(Br)c1CN1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934275294 654842685 /nfs/dbraw/zinc/84/26/85/654842685.db2.gz OIYNRVXTQFNLRT-HOTGVXAUSA-N 1 0 384.274 2.388 20 5 GEBDRO C[C@@](CO)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(Br)c1 ZINC000934496516 654850943 /nfs/dbraw/zinc/85/09/43/654850943.db2.gz LJVSDAPGFOOBLF-INIZCTEOSA-N 1 0 396.241 2.016 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164731031 720406153 /nfs/dbraw/zinc/40/61/53/720406153.db2.gz YEVBGWBQLPNBGF-CABCVRRESA-N 1 0 375.816 2.130 20 5 GEBDRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(N)c([N+](=O)[O-])cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834983 720557113 /nfs/dbraw/zinc/55/71/13/720557113.db2.gz GJODMJWCYABUGG-HLLBOEOZSA-N 1 0 385.472 2.146 20 5 GEBDRO O=[N+]([O-])c1cccc2ncnc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c21 ZINC001164736610 720591631 /nfs/dbraw/zinc/59/16/31/720591631.db2.gz OXGPBDPZBFIICC-UHFFFAOYSA-N 1 0 393.451 2.393 20 5 GEBDRO CCOc1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164865720 721119051 /nfs/dbraw/zinc/11/90/51/721119051.db2.gz OVKCYHINYKQQRU-IRXDYDNUSA-N 1 0 399.451 2.263 20 5 GEBDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001164934771 721883445 /nfs/dbraw/zinc/88/34/45/721883445.db2.gz TXIIASJVWPSCNL-RBUKOAKNSA-N 1 0 382.468 2.266 20 5 GEBDRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001164934825 721889940 /nfs/dbraw/zinc/88/99/40/721889940.db2.gz UREHRTYNYLUWRI-CABCVRRESA-N 1 0 390.875 2.406 20 5 GEBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1 ZINC001164968126 722077962 /nfs/dbraw/zinc/07/79/62/722077962.db2.gz ROWBPIABAPAPPG-OKILXGFUSA-N 1 0 389.843 2.491 20 5 GEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982808 722101010 /nfs/dbraw/zinc/10/10/10/722101010.db2.gz PEHAQPRLMBULJF-MJGOQNOKSA-N 1 0 383.452 2.421 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000044770577 531686540 /nfs/dbraw/zinc/68/65/40/531686540.db2.gz KPIKSWRQWBYJHB-UHFFFAOYSA-N 1 0 382.829 2.154 20 5 GEBDRO C[NH+](C)CCn1nnnc1SCc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000159576963 531786352 /nfs/dbraw/zinc/78/63/52/531786352.db2.gz BWXZEHOUDCZFAH-UHFFFAOYSA-N 1 0 376.364 2.454 20 5 GEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000120612858 531986460 /nfs/dbraw/zinc/98/64/60/531986460.db2.gz YZHQAMYSSHURBB-CYBMUJFWSA-N 1 0 386.246 2.198 20 5 GEBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000124542082 532123588 /nfs/dbraw/zinc/12/35/88/532123588.db2.gz MMDRAQWJGYIPID-ZANVPECISA-N 1 0 392.275 2.153 20 5 GEBDRO O=C(NCC[NH+]1CCCC1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000179554000 532235773 /nfs/dbraw/zinc/23/57/73/532235773.db2.gz ARHLAUKFDPPVTR-UHFFFAOYSA-N 1 0 389.193 2.025 20 5 GEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000181633682 532303753 /nfs/dbraw/zinc/30/37/53/532303753.db2.gz NJEJRPXAKOYLJQ-TZMCWYRMSA-N 1 0 384.479 2.450 20 5 GEBDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000184083670 532330851 /nfs/dbraw/zinc/33/08/51/532330851.db2.gz QXUUMOCOBZWAFS-UHFFFAOYSA-N 1 0 383.392 2.480 20 5 GEBDRO C[C@@](O)(C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000516269184 532385109 /nfs/dbraw/zinc/38/51/09/532385109.db2.gz MNVNMNIZTGOCSW-CYBMUJFWSA-N 1 0 376.194 2.450 20 5 GEBDRO CN(C(=O)c1cc(I)cc([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000516450810 532386323 /nfs/dbraw/zinc/38/63/23/532386323.db2.gz OBLWCXLXALTGID-GFCCVEGCSA-N 1 0 389.193 2.009 20 5 GEBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000590900459 532391885 /nfs/dbraw/zinc/39/18/85/532391885.db2.gz YASLUQIZKWKPEQ-GZMMTYOYSA-N 1 0 389.193 2.151 20 5 GEBDRO O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[NH+](C2CCOCC2)CC1 ZINC000192368831 532403115 /nfs/dbraw/zinc/40/31/15/532403115.db2.gz RCPDYROGOGZIQR-UHFFFAOYSA-N 1 0 398.257 2.294 20 5 GEBDRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000427958772 532439747 /nfs/dbraw/zinc/43/97/47/532439747.db2.gz KGNLBSDNYWOAPQ-SECBINFHSA-N 1 0 380.264 2.153 20 5 GEBDRO CC1([NH3+])CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000592329216 532448480 /nfs/dbraw/zinc/44/84/80/532448480.db2.gz QMVKGMWHGWIHOA-UHFFFAOYSA-N 1 0 389.193 2.153 20 5 GEBDRO CC(C)[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000592381016 532453103 /nfs/dbraw/zinc/45/31/03/532453103.db2.gz YZKJPPZGVIFBIN-LLVKDONJSA-N 1 0 381.376 2.232 20 5 GEBDRO [NH3+]C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CCCC1 ZINC000194770023 532456155 /nfs/dbraw/zinc/45/61/55/532456155.db2.gz FBTPWFVBDQLWKC-LBPRGKRZSA-N 1 0 381.376 2.409 20 5 GEBDRO C[NH2+]CC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000430967609 532503291 /nfs/dbraw/zinc/50/32/91/532503291.db2.gz UIRAAURAFABJSW-UHFFFAOYSA-N 1 0 385.262 2.227 20 5 GEBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000564830096 532534591 /nfs/dbraw/zinc/53/45/91/532534591.db2.gz XBRDELLCZNJGMZ-NSHDSACASA-N 1 0 391.209 2.303 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)c1 ZINC000565946595 532585683 /nfs/dbraw/zinc/58/56/83/532585683.db2.gz YFXUWNNJZFMUGY-IINYFYTJSA-N 1 0 399.220 2.331 20 5 GEBDRO CN(CC(C)(C)[NH3+])C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000595936034 532577430 /nfs/dbraw/zinc/57/74/30/532577430.db2.gz WSOOFRVBQNXPLW-UHFFFAOYSA-N 1 0 377.182 2.009 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(c3ccccc3Br)CC2)c1 ZINC000566616029 532619390 /nfs/dbraw/zinc/61/93/90/532619390.db2.gz XCAGOQAQAIQYNN-ZDUSSCGKSA-N 1 0 395.257 2.236 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000376644991 532622567 /nfs/dbraw/zinc/62/25/67/532622567.db2.gz SUMSFXNYDGFURK-SNVBAGLBSA-N 1 0 377.825 2.246 20 5 GEBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCC[NH2+]CC1 ZINC000435613645 532623381 /nfs/dbraw/zinc/62/33/81/532623381.db2.gz CDHICKMZMPHXOB-NSHDSACASA-N 1 0 385.262 2.370 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)c1 ZINC000285486913 532685115 /nfs/dbraw/zinc/68/51/15/532685115.db2.gz IKGRZHLKMQJYKG-SWLSCSKDSA-N 1 0 389.239 2.172 20 5 GEBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000487398265 532697391 /nfs/dbraw/zinc/69/73/91/532697391.db2.gz AIJWSMHUEPTQHD-DTORHVGOSA-N 1 0 380.253 2.084 20 5 GEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000440409840 532713334 /nfs/dbraw/zinc/71/33/34/532713334.db2.gz VIYITQCPGLZJLM-NXEZZACHSA-N 1 0 392.275 2.105 20 5 GEBDRO C[N@@H+](Cc1ccc(Br)c(F)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000494293644 532715585 /nfs/dbraw/zinc/71/55/85/532715585.db2.gz RBMAQTCLWQAEHS-LBPRGKRZSA-N 1 0 387.209 2.186 20 5 GEBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000269909541 532793053 /nfs/dbraw/zinc/79/30/53/532793053.db2.gz CBTZNELGYOENJX-LBPRGKRZSA-N 1 0 386.246 2.116 20 5 GEBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[NH+]1CCCC1 ZINC000548697507 532793450 /nfs/dbraw/zinc/79/34/50/532793450.db2.gz GKHOIICYBPUYHX-SNVBAGLBSA-N 1 0 392.275 2.120 20 5 GEBDRO COCC[NH2+]CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000415648989 532852095 /nfs/dbraw/zinc/85/20/95/532852095.db2.gz CUKXCKNIENNGID-UHFFFAOYSA-N 1 0 375.223 2.023 20 5 GEBDRO CNC(=O)CCC[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289322605 532852497 /nfs/dbraw/zinc/85/24/97/532852497.db2.gz GLGAMROHDDTGHR-UHFFFAOYSA-N 1 0 391.209 2.157 20 5 GEBDRO COC[C@]1(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000415701414 532854016 /nfs/dbraw/zinc/85/40/16/532854016.db2.gz OLAFYGLWSUVPJF-CQSZACIVSA-N 1 0 387.234 2.247 20 5 GEBDRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289472133 532855817 /nfs/dbraw/zinc/85/58/17/532855817.db2.gz JDCHNFTYFQTOHL-ZRNGKTOUSA-N 1 0 396.250 2.446 20 5 GEBDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289487834 532856588 /nfs/dbraw/zinc/85/65/88/532856588.db2.gz KPLZBGFQAIAWKQ-VIFPVBQESA-N 1 0 391.209 2.156 20 5 GEBDRO CN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@@H](O)CN1CCOCC1 ZINC000289723144 532863796 /nfs/dbraw/zinc/86/37/96/532863796.db2.gz HBQIDIXKHBFFKS-CYBMUJFWSA-N 1 0 378.256 2.027 20 5 GEBDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416358613 532871405 /nfs/dbraw/zinc/87/14/05/532871405.db2.gz HAYFXWYJGSXJGG-UHFFFAOYSA-N 1 0 381.376 2.328 20 5 GEBDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000290738503 532888079 /nfs/dbraw/zinc/88/80/79/532888079.db2.gz LUNJQMBZWBFBOH-GXFFZTMASA-N 1 0 391.852 2.492 20 5 GEBDRO O=C(CN1CC[NH+]([C@H]2CCSC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000361946032 532894018 /nfs/dbraw/zinc/89/40/18/532894018.db2.gz VSJQCSSMDNTZKV-ZDUSSCGKSA-N 1 0 384.889 2.310 20 5 GEBDRO CC(C)(CCC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000293573900 532928801 /nfs/dbraw/zinc/92/88/01/532928801.db2.gz CUFPIGJRHSPXEU-UHFFFAOYSA-N 1 0 391.209 2.447 20 5 GEBDRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000370090642 532942114 /nfs/dbraw/zinc/94/21/14/532942114.db2.gz HMDYFIPURKVSNE-RTCCRHLQSA-N 1 0 390.259 2.000 20 5 GEBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821597871 599107739 /nfs/dbraw/zinc/10/77/39/599107739.db2.gz JYRBWHZXJBRFRS-OAHLLOKOSA-N 1 0 394.439 2.128 20 5 GEBDRO CCc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)[NH+](C)C)cc1 ZINC000821482657 599265422 /nfs/dbraw/zinc/26/54/22/599265422.db2.gz UQEPLVUEBIGBNZ-MRXNPFEDSA-N 1 0 382.428 2.447 20 5 GEBDRO O=[N+]([O-])c1ccc2nc(NC3CC[NH+](C4CC4)CC3)cc(-c3nn[nH]n3)c2c1 ZINC000738366957 599266703 /nfs/dbraw/zinc/26/67/03/599266703.db2.gz LGSZJRROUORRRD-UHFFFAOYSA-N 1 0 380.412 2.362 20 5 GEBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736204945 598498606 /nfs/dbraw/zinc/49/86/06/598498606.db2.gz UNNSPAKOIATMQY-TZMCWYRMSA-N 1 0 380.412 2.417 20 5 GEBDRO O=[N+]([O-])c1cnc(Nc2cccc(C[NH+]3CCSCC3)c2)c(-c2nn[nH]n2)c1 ZINC000738373665 598503326 /nfs/dbraw/zinc/50/33/26/598503326.db2.gz FKIAZHKWSKFKNC-UHFFFAOYSA-N 1 0 398.452 2.462 20 5 GEBDRO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000820409877 599388256 /nfs/dbraw/zinc/38/82/56/599388256.db2.gz BFEDSBMIMQZBJZ-RYUDHWBXSA-N 1 0 381.396 2.453 20 5 GEBDRO C[C@@H]1C[N@H+](C(C)(C)CNc2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)C[C@H](C)O1 ZINC000824976846 607450006 /nfs/dbraw/zinc/45/00/06/607450006.db2.gz PBQCVWVXFZUTDL-TXEJJXNPSA-N 1 0 375.433 2.075 20 5 GEBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826500233 607524800 /nfs/dbraw/zinc/52/48/00/607524800.db2.gz PKICYYFLKZIFJO-GOSISDBHSA-N 1 0 380.408 2.473 20 5 GEBDRO COc1cccc([C@@H](CNc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000821864123 606644912 /nfs/dbraw/zinc/64/49/12/606644912.db2.gz UDKMJSUQJFXBSY-QGZVFWFLSA-N 1 0 383.412 2.498 20 5 GEBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820571102 606700780 /nfs/dbraw/zinc/70/07/80/606700780.db2.gz VWPYRKLWPUEQCG-JSGCOSHPSA-N 1 0 380.412 2.417 20 5 GEBDRO C[C@@H]1C[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000820667431 606719040 /nfs/dbraw/zinc/71/90/40/606719040.db2.gz MFQXYXWCUXYODM-OCCSQVGLSA-N 1 0 380.412 2.245 20 5 GEBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000823620777 607163371 /nfs/dbraw/zinc/16/33/71/607163371.db2.gz QATAZOYAUZKVAR-GFCCVEGCSA-N 1 0 386.441 2.480 20 5 GEBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554057 608463815 /nfs/dbraw/zinc/46/38/15/608463815.db2.gz MCRPHWWPJACICD-LBPRGKRZSA-N 1 0 393.407 2.015 20 5 GEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826293089 608530902 /nfs/dbraw/zinc/53/09/02/608530902.db2.gz AFWCXTYPYOCDHA-UHFFFAOYSA-N 1 0 393.407 2.301 20 5 GEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000826283510 608554006 /nfs/dbraw/zinc/55/40/06/608554006.db2.gz SPJODHSVZGLWPP-XJKSGUPXSA-N 1 0 398.423 2.174 20 5 GEBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824584639 608563754 /nfs/dbraw/zinc/56/37/54/608563754.db2.gz CYGWBXCAZLUWFQ-LBPRGKRZSA-N 1 0 381.396 2.454 20 5 GEBDRO [NH3+]C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CCCC1 ZINC000447243455 650002958 /nfs/dbraw/zinc/00/29/58/650002958.db2.gz HDASYPXOIVJINY-LBPRGKRZSA-N 1 0 392.275 2.153 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@@H]2CCC[C@H]2O)c1 ZINC000449737574 650048210 /nfs/dbraw/zinc/04/82/10/650048210.db2.gz SHTXYWAWDGVPPY-GXFFZTMASA-N 1 0 376.194 2.450 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](c3cccc(Br)c3)C2)c1 ZINC000451576100 650127031 /nfs/dbraw/zinc/12/70/31/650127031.db2.gz ZKPIOSMFKRMMGP-XJKSGUPXSA-N 1 0 395.257 2.404 20 5 GEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCC[N@H+]1CCCO ZINC000452784790 650197285 /nfs/dbraw/zinc/19/72/85/650197285.db2.gz PURBFSPNJNZWPN-CYBMUJFWSA-N 1 0 387.889 2.303 20 5 GEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000485711622 650699285 /nfs/dbraw/zinc/69/92/85/650699285.db2.gz RVJYDZKFWKYAEI-UHFFFAOYSA-N 1 0 387.820 2.455 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2cc(F)cc(Cl)c2)cc1 ZINC000485721348 650699489 /nfs/dbraw/zinc/69/94/89/650699489.db2.gz UNNDSHMYPVWPSD-UHFFFAOYSA-N 1 0 387.820 2.455 20 5 GEBDRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000066000843 642893862 /nfs/dbraw/zinc/89/38/62/642893862.db2.gz LTNYAWMJCMFHNO-UHFFFAOYSA-N 1 0 385.467 2.075 20 5 GEBDRO C[C@H](CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000120288115 643598353 /nfs/dbraw/zinc/59/83/53/643598353.db2.gz QDXFRQRRRFPNJU-SECBINFHSA-N 1 0 392.275 2.118 20 5 GEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000123069544 643664271 /nfs/dbraw/zinc/66/42/71/643664271.db2.gz AHWKYUNLCPFNMW-ONGXEEELSA-N 1 0 392.275 2.248 20 5 GEBDRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000124372478 643685622 /nfs/dbraw/zinc/68/56/22/643685622.db2.gz OTKKPIHMMKDODE-ZJUUUORDSA-N 1 0 392.275 2.105 20 5 GEBDRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000124955941 643695518 /nfs/dbraw/zinc/69/55/18/643695518.db2.gz AJVXLIPGBUNNGH-GFCCVEGCSA-N 1 0 394.291 2.351 20 5 GEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)C[C@H](C)[NH2+]1 ZINC000153197027 643979419 /nfs/dbraw/zinc/97/94/19/643979419.db2.gz MOPFWIJFEUMBKM-DTORHVGOSA-N 1 0 389.193 2.022 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000154349760 644037833 /nfs/dbraw/zinc/03/78/33/644037833.db2.gz PJQYZYWXEWWSAE-ZDUSSCGKSA-N 1 0 380.253 2.276 20 5 GEBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000178930983 644445327 /nfs/dbraw/zinc/44/53/27/644445327.db2.gz BKHLNTBTCFQZOZ-NSHDSACASA-N 1 0 392.275 2.120 20 5 GEBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000180570590 644508049 /nfs/dbraw/zinc/50/80/49/644508049.db2.gz ZRZIAQVMALPGEE-UHFFFAOYSA-N 1 0 399.289 2.067 20 5 GEBDRO [NH3+]C[C@@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C1CCCC1 ZINC000194776434 645348355 /nfs/dbraw/zinc/34/83/55/645348355.db2.gz NFRVEWHUCYXOKY-LLVKDONJSA-N 1 0 392.275 2.153 20 5 GEBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccc([N+](=O)[O-])cc2I)n1 ZINC000261618874 645590975 /nfs/dbraw/zinc/59/09/75/645590975.db2.gz BOHYGXWVTIVCMQ-ZETCQYMHSA-N 1 0 388.165 2.400 20 5 GEBDRO COCC1(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC[NH2+]CC1 ZINC000261784553 645599489 /nfs/dbraw/zinc/59/94/89/645599489.db2.gz TTZCSGUMBTWVNG-UHFFFAOYSA-N 1 0 386.246 2.103 20 5 GEBDRO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262092178 645616276 /nfs/dbraw/zinc/61/62/76/645616276.db2.gz UWBXHXRYLUJHNG-UHFFFAOYSA-N 1 0 383.857 2.440 20 5 GEBDRO Cn1c(Sc2ncc([N+](=O)[O-])cc2Br)nnc1[C@H]1CCC[NH2+]C1 ZINC000267210645 645888108 /nfs/dbraw/zinc/88/81/08/645888108.db2.gz HFMMWXUFVUNZHW-QMMMGPOBSA-N 1 0 399.274 2.499 20 5 GEBDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000269353860 646029446 /nfs/dbraw/zinc/02/94/46/646029446.db2.gz LPBPXGZMKYKLBP-JTQLQIEISA-N 1 0 392.275 2.072 20 5 GEBDRO COc1cc[nH+]c(N2CCN(c3c(Br)cncc3[N+](=O)[O-])CC2)c1 ZINC000270998453 646163584 /nfs/dbraw/zinc/16/35/84/646163584.db2.gz VNQWLGFWMQRYLR-UHFFFAOYSA-N 1 0 394.229 2.483 20 5 GEBDRO O=C(NC[C@H]1CC[NH2+]C1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000272969577 646292938 /nfs/dbraw/zinc/29/29/38/646292938.db2.gz BIJJMYRNKADMNR-VIFPVBQESA-N 1 0 384.223 2.427 20 5 GEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000331369117 647382277 /nfs/dbraw/zinc/38/22/77/647382277.db2.gz CKCUFLNVRAZQBQ-ZUZCIYMTSA-N 1 0 382.258 2.499 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363260507 647589799 /nfs/dbraw/zinc/58/97/99/647589799.db2.gz WXAHUCRKWXVXMF-YUTCNCBUSA-N 1 0 385.873 2.353 20 5 GEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000420370775 648414562 /nfs/dbraw/zinc/41/45/62/648414562.db2.gz PCJDJNOQVRGAOZ-HFBDOXOYSA-N 1 0 385.262 2.272 20 5 GEBDRO O=C(CN1CCC[C@]2(CC[NH2+]C2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000420377596 648415034 /nfs/dbraw/zinc/41/50/34/648415034.db2.gz PUKMFSJVDXJPFY-MRXNPFEDSA-N 1 0 397.273 2.371 20 5 GEBDRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000420772739 648455448 /nfs/dbraw/zinc/45/54/48/648455448.db2.gz VANIGGWYWKFJIF-NSHDSACASA-N 1 0 392.275 2.072 20 5 GEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1CN(S(=O)(=O)CC)C1 ZINC000439143167 648809548 /nfs/dbraw/zinc/80/95/48/648809548.db2.gz AKQUUKQGUDCFFG-AWEZNQCLSA-N 1 0 387.527 2.337 20 5 GEBDRO C[C@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCC[NH2+]C1 ZINC000440844227 648816381 /nfs/dbraw/zinc/81/63/81/648816381.db2.gz MYRLMDHPYFMMCV-ZDUSSCGKSA-N 1 0 381.376 2.282 20 5 GEBDRO [NH3+]CC[C@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000443076502 648859605 /nfs/dbraw/zinc/85/96/05/648859605.db2.gz SLVCPHJYBUFOAP-LLVKDONJSA-N 1 0 385.262 2.357 20 5 GEBDRO [NH3+]C[C@H]1CCCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000556706748 651249964 /nfs/dbraw/zinc/24/99/64/651249964.db2.gz IJKDQTFXUZAGMJ-SECBINFHSA-N 1 0 389.193 2.010 20 5 GEBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000556706753 651249994 /nfs/dbraw/zinc/24/99/94/651249994.db2.gz IJKDQTFXUZAGMJ-VIFPVBQESA-N 1 0 389.193 2.010 20 5 GEBDRO C[C@H]1C[C@H](NC(=O)c2cc(I)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000566205873 651602573 /nfs/dbraw/zinc/60/25/73/651602573.db2.gz HHXFTJCNCLUUGZ-GZMMTYOYSA-N 1 0 389.193 2.070 20 5 GEBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000732814430 651675989 /nfs/dbraw/zinc/67/59/89/651675989.db2.gz BJUISEHIJPIXKF-UHFFFAOYSA-N 1 0 394.291 2.368 20 5 GEBDRO CC(C)[N@@H+]1CC[C@H](CNc2c(I)cncc2[N+](=O)[O-])C1 ZINC000574668098 652035314 /nfs/dbraw/zinc/03/53/14/652035314.db2.gz XSKRZOJRYBMYCL-SNVBAGLBSA-N 1 0 390.225 2.159 20 5 GEBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000580093835 652366670 /nfs/dbraw/zinc/36/66/70/652366670.db2.gz LQZGULPEJYRTJW-NSHDSACASA-N 1 0 388.262 2.180 20 5 GEBDRO CSC1(CNS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC[NH+](C)CC1 ZINC000582755461 652461701 /nfs/dbraw/zinc/46/17/01/652461701.db2.gz WAHYGIVDLUZLGD-UHFFFAOYSA-N 1 0 387.527 2.317 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H](CO)CC(F)F)c1 ZINC000583841879 652499020 /nfs/dbraw/zinc/49/90/20/652499020.db2.gz PYBWGZGDZUVDPN-VIFPVBQESA-N 1 0 386.136 2.305 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000583844188 652499339 /nfs/dbraw/zinc/49/93/39/652499339.db2.gz WBQAERAXTGNSDV-SMDDNHRTSA-N 1 0 387.221 2.383 20 5 GEBDRO C[C@@H]1[NH2+]CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)[C@H]1C ZINC000592547123 652599654 /nfs/dbraw/zinc/59/96/54/652599654.db2.gz NXQCEBKEGAGWAN-IUCAKERBSA-N 1 0 389.193 2.022 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)NCCC2(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000593730949 652633945 /nfs/dbraw/zinc/63/39/45/652633945.db2.gz OXGAXFMPTATHDU-UHFFFAOYSA-N 1 0 392.275 2.073 20 5 GEBDRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000595122412 652706466 /nfs/dbraw/zinc/70/64/66/652706466.db2.gz ZHSOKKDFALXHEW-GFCCVEGCSA-N 1 0 380.264 2.009 20 5 GEBDRO Cn1cncc1CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000598917677 652840006 /nfs/dbraw/zinc/84/00/06/652840006.db2.gz GFHCEINFMTVDSO-UHFFFAOYSA-N 1 0 386.193 2.265 20 5 GEBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1c(Br)cccc1[N+](=O)[O-])CCO2 ZINC000600073506 652901988 /nfs/dbraw/zinc/90/19/88/652901988.db2.gz FMYOCMQVITYYQT-UHFFFAOYSA-N 1 0 398.257 2.294 20 5 GEBDRO CS[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C[C@@H]1[NH+](C)C ZINC000767315376 652919645 /nfs/dbraw/zinc/91/96/45/652919645.db2.gz NSPHJUSIXNVJER-QWHCGFSZSA-N 1 0 393.918 2.223 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)ccc1CCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000601391695 653090508 /nfs/dbraw/zinc/09/05/08/653090508.db2.gz UKQRYSUQVCXYGE-UHFFFAOYSA-N 1 0 375.878 2.196 20 5 GEBDRO C[NH+]1CCC(N(CCO)Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602428533 653179889 /nfs/dbraw/zinc/17/98/89/653179889.db2.gz ACWQMSSEZSHNEK-UHFFFAOYSA-N 1 0 378.292 2.307 20 5 GEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000602834267 653208837 /nfs/dbraw/zinc/20/88/37/653208837.db2.gz XULBJJFTBVHSCL-HNNXBMFYSA-N 1 0 383.246 2.360 20 5 GEBDRO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000857335404 653310957 /nfs/dbraw/zinc/31/09/57/653310957.db2.gz UGJAMXKOAPERLP-GFCCVEGCSA-N 1 0 398.257 2.029 20 5 GEBDRO NC(=O)C1([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCCC1 ZINC000809963231 653315363 /nfs/dbraw/zinc/31/53/63/653315363.db2.gz LFPRKSOMSFVTDV-UHFFFAOYSA-N 1 0 389.193 2.087 20 5 GEBDRO [NH3+][C@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)CC1 ZINC000700976848 653318631 /nfs/dbraw/zinc/31/86/31/653318631.db2.gz VSVGFUASKGBIGV-KYZUINATSA-N 1 0 389.193 2.199 20 5 GEBDRO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(I)c1)[NH+](C)C ZINC000836609028 653364585 /nfs/dbraw/zinc/36/45/85/653364585.db2.gz ZEZKVOQVGUKVQJ-QMMMGPOBSA-N 1 0 392.197 2.271 20 5 GEBDRO Cc1ccc(NCCC[N@@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1Br ZINC000858687217 653374833 /nfs/dbraw/zinc/37/48/33/653374833.db2.gz AJIODMNUNKFDDL-LBPRGKRZSA-N 1 0 385.262 2.417 20 5 GEBDRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000859303674 653437849 /nfs/dbraw/zinc/43/78/49/653437849.db2.gz XQDXMKPWXHQHLX-JTQLQIEISA-N 1 0 379.841 2.398 20 5 GEBDRO O=[N+]([O-])c1sc(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1Br ZINC000877021744 653460834 /nfs/dbraw/zinc/46/08/34/653460834.db2.gz FXYQKAXDSCFDBR-NXEZZACHSA-N 1 0 376.276 2.372 20 5 GEBDRO C[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[NH+]1CCCC1 ZINC000780703701 653631144 /nfs/dbraw/zinc/63/11/44/653631144.db2.gz GRAIVQGDHXZHMT-SNVBAGLBSA-N 1 0 392.275 2.120 20 5 GEBDRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000780869017 653634574 /nfs/dbraw/zinc/63/45/74/653634574.db2.gz ZZSYJRXXAHZITQ-JTQLQIEISA-N 1 0 392.275 2.120 20 5 GEBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815009086 653643007 /nfs/dbraw/zinc/64/30/07/653643007.db2.gz ZHEQRHDACCJWMI-JTQLQIEISA-N 1 0 379.841 2.398 20 5 GEBDRO C[NH+](C)[C@]1(CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCSC1 ZINC000815020697 653644334 /nfs/dbraw/zinc/64/43/34/653644334.db2.gz CMHMFTIMBLMROO-ZDUSSCGKSA-N 1 0 397.881 2.103 20 5 GEBDRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815035077 653646472 /nfs/dbraw/zinc/64/64/72/653646472.db2.gz HVKKZIXYMHGWNL-UHFFFAOYSA-N 1 0 379.841 2.492 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000783908991 653686461 /nfs/dbraw/zinc/68/64/61/653686461.db2.gz DZALRSDQXIPKKL-MRXNPFEDSA-N 1 0 384.841 2.345 20 5 GEBDRO C[NH+](C)CC(C)(C)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000841215829 653710593 /nfs/dbraw/zinc/71/05/93/653710593.db2.gz RJDWXLUXDXGJLP-CHWSQXEVSA-N 1 0 399.289 2.430 20 5 GEBDRO O=C(Nc1ccc([N+](=O)[O-])c(I)c1)N[C@@H]1CCC[NH2+]C1 ZINC000841235374 653711896 /nfs/dbraw/zinc/71/18/96/653711896.db2.gz YUXLDTTYRHZGOR-SECBINFHSA-N 1 0 390.181 2.073 20 5 GEBDRO O=C(Nc1ccc([N+](=O)[O-])c(I)c1)N[C@H]1CCC[NH2+]C1 ZINC000841235375 653711934 /nfs/dbraw/zinc/71/19/34/653711934.db2.gz YUXLDTTYRHZGOR-VIFPVBQESA-N 1 0 390.181 2.073 20 5 GEBDRO Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C[NH+](C)C ZINC000841529799 653727972 /nfs/dbraw/zinc/72/79/72/653727972.db2.gz OLAQBHAGNTVRKA-UHFFFAOYSA-N 1 0 394.291 2.284 20 5 GEBDRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000841546308 653731064 /nfs/dbraw/zinc/73/10/64/653731064.db2.gz LPCGBEKXOXJWKV-SNVBAGLBSA-N 1 0 379.841 2.398 20 5 GEBDRO C[C@](O)(C[NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1F ZINC000819176637 653745367 /nfs/dbraw/zinc/74/53/67/653745367.db2.gz LTXCNSOYVBWFFN-AWEZNQCLSA-N 1 0 387.209 2.190 20 5 GEBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000843104259 653779497 /nfs/dbraw/zinc/77/94/97/653779497.db2.gz OMVPQKGQELKPOD-ZVWUFJHRSA-N 1 0 389.239 2.171 20 5 GEBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](O)c1c(Cl)cccc1Cl ZINC000843104257 653779533 /nfs/dbraw/zinc/77/95/33/653779533.db2.gz OMVPQKGQELKPOD-ZSGNIPIJSA-N 1 0 389.239 2.171 20 5 GEBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843485885 653788068 /nfs/dbraw/zinc/78/80/68/653788068.db2.gz VTVOUUPFOLEYDH-SECBINFHSA-N 1 0 382.136 2.223 20 5 GEBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1cccc([N+](=O)[O-])c1Br)CCO2 ZINC000844153597 653802511 /nfs/dbraw/zinc/80/25/11/653802511.db2.gz IMSMFGGRHPENKN-UHFFFAOYSA-N 1 0 398.257 2.294 20 5 GEBDRO C[N@@H+]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)[C@H](Cc2ccccc2)C1 ZINC000844743434 653816113 /nfs/dbraw/zinc/81/61/13/653816113.db2.gz XNJZWRQUAACGGF-CQSZACIVSA-N 1 0 394.273 2.370 20 5 GEBDRO C[NH+](C)CC[C@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000895327809 653827841 /nfs/dbraw/zinc/82/78/41/653827841.db2.gz CKVDYDVLZPIYKP-NSHDSACASA-N 1 0 377.413 2.369 20 5 GEBDRO COC(=O)CN1CCC([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000895611723 653843367 /nfs/dbraw/zinc/84/33/67/653843367.db2.gz YHQGZFPFOXVVLO-UHFFFAOYSA-N 1 0 386.246 2.084 20 5 GEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000794825588 653921298 /nfs/dbraw/zinc/92/12/98/653921298.db2.gz WBEQMLUXIXSKBU-CYBMUJFWSA-N 1 0 399.289 2.394 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C2CC(CCO)C2)c1 ZINC000898011148 653949898 /nfs/dbraw/zinc/94/98/98/653949898.db2.gz SDXGKHXODAFQMS-UHFFFAOYSA-N 1 0 376.194 2.450 20 5 GEBDRO CN(CC(=O)NCC[N@H+](C)C1CC1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000795556494 653958478 /nfs/dbraw/zinc/95/84/78/653958478.db2.gz LIBWRSOUDWRGNG-UHFFFAOYSA-N 1 0 385.262 2.004 20 5 GEBDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)CC[C@H]21 ZINC000795882896 653974766 /nfs/dbraw/zinc/97/47/66/653974766.db2.gz CCTSZYLNMQYWQR-ZWNOBZJWSA-N 1 0 391.852 2.492 20 5 GEBDRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000827158994 653977956 /nfs/dbraw/zinc/97/79/56/653977956.db2.gz WQJIYXPRECYYLG-UHFFFAOYSA-N 1 0 377.272 2.353 20 5 GEBDRO CN(CC(=O)N1CCC([NH+](C)C)CC1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796283144 653994840 /nfs/dbraw/zinc/99/48/40/653994840.db2.gz CIHWHZDKVLWWRL-UHFFFAOYSA-N 1 0 399.289 2.346 20 5 GEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[S@@](=O)CC(F)(F)F)CC2)cc1 ZINC000850490848 654079024 /nfs/dbraw/zinc/07/90/24/654079024.db2.gz HXXHPOJRESBGSC-RUZDIDTESA-N 1 0 379.404 2.464 20 5 GEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000802994279 654254822 /nfs/dbraw/zinc/25/48/22/654254822.db2.gz UHXQSZQALCIVNI-RYUDHWBXSA-N 1 0 399.289 2.345 20 5 GEBDRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000903577225 654260053 /nfs/dbraw/zinc/26/00/53/654260053.db2.gz GLRQPWWQEJMHET-JTQLQIEISA-N 1 0 392.275 2.120 20 5 GEBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C12CCC2 ZINC000892275064 654337843 /nfs/dbraw/zinc/33/78/43/654337843.db2.gz RWMJINZUTAJNIE-CYBMUJFWSA-N 1 0 383.246 2.441 20 5 GEBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000906441609 654437668 /nfs/dbraw/zinc/43/76/68/654437668.db2.gz NNMVMNUHPDXRRX-CYBMUJFWSA-N 1 0 398.257 2.340 20 5 GEBDRO Cn1cncc1[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1[NH3+] ZINC000923420873 654451783 /nfs/dbraw/zinc/45/17/83/654451783.db2.gz QGNGLHOIBYGSEA-TZMCWYRMSA-N 1 0 380.246 2.018 20 5 GEBDRO Cn1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(I)n1 ZINC000894242184 654458809 /nfs/dbraw/zinc/45/88/09/654458809.db2.gz UYHCHOUXNZSEEY-UHFFFAOYSA-N 1 0 386.193 2.265 20 5 GEBDRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000933436316 654812972 /nfs/dbraw/zinc/81/29/72/654812972.db2.gz CNZPSEQTXIKGCS-OAHLLOKOSA-N 1 0 383.246 2.137 20 5 GEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC000933799032 654827604 /nfs/dbraw/zinc/82/76/04/654827604.db2.gz UZVPCKMHHMZHAH-SNVBAGLBSA-N 1 0 385.262 2.353 20 5 GEBDRO O=[N+]([O-])c1cc(Br)ccc1CN1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000934275182 654842755 /nfs/dbraw/zinc/84/27/55/654842755.db2.gz SKHADIFPXYXYIJ-HUUCEWRRSA-N 1 0 384.274 2.388 20 5 GEBDRO CC(C)N(C)Cc1nn(-c2cnc3ccc([N+](=O)[O-])cc3n2)c2c1CC[NH2+]C2 ZINC001164686217 719606805 /nfs/dbraw/zinc/60/68/05/719606805.db2.gz ZKGQEDIWLSLPDS-UHFFFAOYSA-N 1 0 381.440 2.210 20 5 GEBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)ncc1[N+](=O)[O-])C2 ZINC001164807532 720071357 /nfs/dbraw/zinc/07/13/57/720071357.db2.gz FVCRKPXVMVUKFQ-DYVFJYSZSA-N 1 0 381.864 2.223 20 5 GEBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)C1 ZINC001164735179 720527915 /nfs/dbraw/zinc/52/79/15/720527915.db2.gz VSZVICXAZDKDFE-OAHLLOKOSA-N 1 0 393.451 2.446 20 5 GEBDRO O=[N+]([O-])c1ccc2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2c1 ZINC001164738876 720671972 /nfs/dbraw/zinc/67/19/72/720671972.db2.gz LESSYGGQGCKQQB-IRXDYDNUSA-N 1 0 392.419 2.275 20 5 GEBDRO Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1[N+](=O)[O-] ZINC001164742123 720810885 /nfs/dbraw/zinc/81/08/85/720810885.db2.gz CEVSNXNPRBKMRT-ZIFCJYIRSA-N 1 0 397.483 2.269 20 5 GEBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)cc(C)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164852560 720847164 /nfs/dbraw/zinc/84/71/64/720847164.db2.gz KVBWMTCJTRHAJX-UONOGXRCSA-N 1 0 384.864 2.125 20 5 GEBDRO Cc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164984097 722101486 /nfs/dbraw/zinc/10/14/86/722101486.db2.gz RRQYNQMAVRZHJQ-IEBWSBKVSA-N 1 0 383.452 2.421 20 5 GEBDRO Cc1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164977265 722106240 /nfs/dbraw/zinc/10/62/40/722106240.db2.gz FNFKRDVONFIISE-QZTJIDSGSA-N 1 0 383.452 2.421 20 5 GEBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980669 722106272 /nfs/dbraw/zinc/10/62/72/722106272.db2.gz JWGAQTAMWYHODY-YJBOKZPZSA-N 1 0 387.415 2.251 20 5 GEBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162166773 531836673 /nfs/dbraw/zinc/83/66/73/531836673.db2.gz YKXOXRWRDAWMRD-LLVKDONJSA-N 1 0 381.376 2.376 20 5 GEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000119515347 531971974 /nfs/dbraw/zinc/97/19/74/531971974.db2.gz YUFUKGZXTHTDFU-UHFFFAOYSA-N 1 0 382.829 2.154 20 5 GEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000123025903 532090729 /nfs/dbraw/zinc/09/07/29/532090729.db2.gz GZFATIVHQMBIFX-RNCFNFMXSA-N 1 0 392.275 2.248 20 5 GEBDRO Cc1sc(S(=O)(=O)N2CCC[C@H](Cc3nccn3C)C2)cc1[N+](=O)[O-] ZINC000125627479 532139050 /nfs/dbraw/zinc/13/90/50/532139050.db2.gz OPCMYKCRZQZZNS-GFCCVEGCSA-N 1 0 384.483 2.342 20 5 GEBDRO CC[NH+]1CCN(CCCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000176981595 532158101 /nfs/dbraw/zinc/15/81/01/532158101.db2.gz QCEGSJVHAAWISG-UHFFFAOYSA-N 1 0 399.289 2.115 20 5 GEBDRO C[NH+](C)CCn1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000129440746 532178732 /nfs/dbraw/zinc/17/87/32/532178732.db2.gz SJEQFWNFRVVYIP-UHFFFAOYSA-N 1 0 396.245 2.297 20 5 GEBDRO Cc1nc(C)c([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000178000567 532189420 /nfs/dbraw/zinc/18/94/20/532189420.db2.gz JGTJUJIRVDUWTF-JTQLQIEISA-N 1 0 384.483 2.297 20 5 GEBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000132815155 532221436 /nfs/dbraw/zinc/22/14/36/532221436.db2.gz SFQWPLDFVKGMGE-VIFPVBQESA-N 1 0 389.193 2.023 20 5 GEBDRO C[NH+](C)C1CN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000135047847 532265908 /nfs/dbraw/zinc/26/59/08/532265908.db2.gz WLLWDRIYHALXHC-UHFFFAOYSA-N 1 0 384.223 2.473 20 5 GEBDRO CC(C)(COc1ncccc1Br)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000181514638 532300286 /nfs/dbraw/zinc/30/02/86/532300286.db2.gz XSUQFZNUIJMYTC-UHFFFAOYSA-N 1 0 384.234 2.396 20 5 GEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000181633641 532303966 /nfs/dbraw/zinc/30/39/66/532303966.db2.gz NJEJRPXAKOYLJQ-OCCSQVGLSA-N 1 0 384.479 2.450 20 5 GEBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000151033310 532306598 /nfs/dbraw/zinc/30/65/98/532306598.db2.gz FXVKDWKBYXFFSL-VIFPVBQESA-N 1 0 389.193 2.023 20 5 GEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2ccc(Cl)cc2F)c1 ZINC000189290713 532351659 /nfs/dbraw/zinc/35/16/59/532351659.db2.gz ADMKLYJLHOYWOQ-UHFFFAOYSA-N 1 0 387.820 2.455 20 5 GEBDRO COc1cc(Br)ccc1[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000190447299 532356091 /nfs/dbraw/zinc/35/60/91/532356091.db2.gz XHPXDAFXFYDBPT-ZWNOBZJWSA-N 1 0 399.245 2.274 20 5 GEBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000190853886 532358361 /nfs/dbraw/zinc/35/83/61/532358361.db2.gz VRKWEEBNMYZELH-UHFFFAOYSA-N 1 0 394.291 2.320 20 5 GEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279270375 532394140 /nfs/dbraw/zinc/39/41/40/532394140.db2.gz KKDKOHKFQMNKSB-LBPRGKRZSA-N 1 0 375.828 2.403 20 5 GEBDRO CSCC[C@H](CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000517204715 532408557 /nfs/dbraw/zinc/40/85/57/532408557.db2.gz GXXCAMIQZYLQEY-LLVKDONJSA-N 1 0 396.250 2.403 20 5 GEBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000591677554 532419326 /nfs/dbraw/zinc/41/93/26/532419326.db2.gz LSBNDSLYHSBSOR-NSHDSACASA-N 1 0 389.193 2.071 20 5 GEBDRO CC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[NH2+]CC1 ZINC000193376868 532422084 /nfs/dbraw/zinc/42/20/84/532422084.db2.gz BMKSUDGVXHOPSS-UHFFFAOYSA-N 1 0 381.376 2.282 20 5 GEBDRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000467067604 532438083 /nfs/dbraw/zinc/43/80/83/532438083.db2.gz DTYMGJHGQAQSIJ-CYBMUJFWSA-N 1 0 391.515 2.086 20 5 GEBDRO CC(C)[NH2+]CCCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000592368055 532451553 /nfs/dbraw/zinc/45/15/53/532451553.db2.gz BXORYGDWDKJHMC-UHFFFAOYSA-N 1 0 380.264 2.024 20 5 GEBDRO CC[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592382297 532453095 /nfs/dbraw/zinc/45/30/95/532453095.db2.gz OGTHJLMUJGSVNZ-ONGXEEELSA-N 1 0 392.275 2.105 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N2CCC(C)([NH3+])CC2)cc1[N+](=O)[O-] ZINC000592378750 532453675 /nfs/dbraw/zinc/45/36/75/532453675.db2.gz BAIXDBYBQOZBRH-UHFFFAOYSA-N 1 0 392.275 2.168 20 5 GEBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000237256422 532505547 /nfs/dbraw/zinc/50/55/47/532505547.db2.gz AGMQDFDSDVPCQX-SNVBAGLBSA-N 1 0 389.193 2.023 20 5 GEBDRO C[C@H]([NH3+])[C@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000430603200 532501518 /nfs/dbraw/zinc/50/15/18/532501518.db2.gz NELSUEFWFZUNPH-IINYFYTJSA-N 1 0 385.262 2.498 20 5 GEBDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000296497084 532524367 /nfs/dbraw/zinc/52/43/67/532524367.db2.gz SUDXDPBMLJFXTF-LLVKDONJSA-N 1 0 376.240 2.478 20 5 GEBDRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000432337330 532534872 /nfs/dbraw/zinc/53/48/72/532534872.db2.gz BAUSFPADUFRDOG-GFCCVEGCSA-N 1 0 391.877 2.027 20 5 GEBDRO C[C@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nccn1C ZINC000595382936 532562108 /nfs/dbraw/zinc/56/21/08/532562108.db2.gz LPJVPGGXLSFSFC-QMMMGPOBSA-N 1 0 389.231 2.130 20 5 GEBDRO Cc1c(Br)c(NCCC[N@@H+]2CCCO[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000432879116 532546494 /nfs/dbraw/zinc/54/64/94/532546494.db2.gz SGOIGZUQNUZSIR-LLVKDONJSA-N 1 0 387.278 2.974 20 5 GEBDRO C[C@H](Cc1ccccc1Br)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000566116493 532593714 /nfs/dbraw/zinc/59/37/14/532593714.db2.gz VTNNANYDKIVJGV-RISCZKNCSA-N 1 0 383.246 2.136 20 5 GEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000375746016 532581056 /nfs/dbraw/zinc/58/10/56/532581056.db2.gz SNEFENKRMAHXBQ-ZDUSSCGKSA-N 1 0 381.479 2.457 20 5 GEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000376523902 532616271 /nfs/dbraw/zinc/61/62/71/532616271.db2.gz YCGHJSQIUSNYEK-GWCFXTLKSA-N 1 0 383.246 2.451 20 5 GEBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)CC[NH2+]1 ZINC000262932315 532608170 /nfs/dbraw/zinc/60/81/70/532608170.db2.gz SUPDAMACRVDBDO-BDAKNGLRSA-N 1 0 389.193 2.070 20 5 GEBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000474181393 532609333 /nfs/dbraw/zinc/60/93/33/532609333.db2.gz GVDZRNYFXWVLCI-UHFFFAOYSA-N 1 0 394.291 2.368 20 5 GEBDRO C[NH+](C)CCn1nccc1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000297873538 532609456 /nfs/dbraw/zinc/60/94/56/532609456.db2.gz UPVQNILOIIXNJH-UHFFFAOYSA-N 1 0 382.218 2.368 20 5 GEBDRO C[N@@H+]1CCCN(CCCNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599480555 532661408 /nfs/dbraw/zinc/66/14/08/532661408.db2.gz BXJVLJVVVDBNMX-UHFFFAOYSA-N 1 0 399.289 2.115 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1C[NH2+]CCC1(F)F ZINC000567862133 532667501 /nfs/dbraw/zinc/66/75/01/532667501.db2.gz NTZPSVQRLPBOQR-SECBINFHSA-N 1 0 390.195 2.177 20 5 GEBDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000298521177 532657033 /nfs/dbraw/zinc/65/70/33/532657033.db2.gz IJUZOWRRWLNHLP-NSHDSACASA-N 1 0 376.240 2.478 20 5 GEBDRO C[NH+](C)CCn1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cn1 ZINC000601561808 532686000 /nfs/dbraw/zinc/68/60/00/532686000.db2.gz BYBYABNCTZLTLL-UHFFFAOYSA-N 1 0 382.218 2.368 20 5 GEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000285685148 532698171 /nfs/dbraw/zinc/69/81/71/532698171.db2.gz HWKVLIYMNFJJLD-LSDHHAIUSA-N 1 0 398.257 2.211 20 5 GEBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1F ZINC000285539181 532689548 /nfs/dbraw/zinc/68/95/48/532689548.db2.gz FWSYUXNWWBTJKB-BXKDBHETSA-N 1 0 387.209 2.405 20 5 GEBDRO C[C@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000440345494 532710109 /nfs/dbraw/zinc/71/01/09/532710109.db2.gz YXMGVAQLCLIQQN-VHSXEESVSA-N 1 0 392.275 2.024 20 5 GEBDRO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000440345714 532710413 /nfs/dbraw/zinc/71/04/13/532710413.db2.gz SLGQEECTDVDQKF-VHSXEESVSA-N 1 0 392.275 2.024 20 5 GEBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000492253673 532712216 /nfs/dbraw/zinc/71/22/16/532712216.db2.gz QIEYEMKCZBLGDF-NSHDSACASA-N 1 0 385.262 2.357 20 5 GEBDRO C[C@H]1CCCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000440415809 532712883 /nfs/dbraw/zinc/71/28/83/532712883.db2.gz SACBAXZSGHQGNC-ZANVPECISA-N 1 0 392.275 2.105 20 5 GEBDRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440437755 532714160 /nfs/dbraw/zinc/71/41/60/532714160.db2.gz BMFIVJCLSLSDEO-LBPRGKRZSA-N 1 0 394.291 2.351 20 5 GEBDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@H]1C[NH3+] ZINC000440427342 532714688 /nfs/dbraw/zinc/71/46/88/532714688.db2.gz NJRLXHISTUAWMT-SKDRFNHKSA-N 1 0 381.376 2.362 20 5 GEBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)s1 ZINC000443343540 532745411 /nfs/dbraw/zinc/74/54/11/532745411.db2.gz PKZZZZUEJMDDBX-SCZZXKLOSA-N 1 0 375.248 2.327 20 5 GEBDRO O=[N+]([O-])c1cccc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000509410556 532768633 /nfs/dbraw/zinc/76/86/33/532768633.db2.gz MYQXFTQTRARKLH-UHFFFAOYSA-N 1 0 387.820 2.455 20 5 GEBDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000359864827 209195734 /nfs/dbraw/zinc/19/57/34/209195734.db2.gz CXPFSZBYQZUOBU-CQSZACIVSA-N 1 0 392.475 2.296 20 5 GEBDRO Cc1c(NC(=O)N2CCCO[C@H](C[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415653888 532852356 /nfs/dbraw/zinc/85/23/56/532852356.db2.gz IUFLGUWCRYIPDN-LLVKDONJSA-N 1 0 387.234 2.247 20 5 GEBDRO COCC[C@@](C)(O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289470264 532855499 /nfs/dbraw/zinc/85/54/99/532855499.db2.gz JAUCIMPJXQBRRE-CYBMUJFWSA-N 1 0 394.209 2.077 20 5 GEBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000071959181 211065759 /nfs/dbraw/zinc/06/57/59/211065759.db2.gz LCGRKDFKDSPUPO-INIZCTEOSA-N 1 0 398.463 2.305 20 5 GEBDRO C[S@](=O)C1(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000289807379 532865652 /nfs/dbraw/zinc/86/56/52/532865652.db2.gz LJXBIKSKBMXQES-IBGZPJMESA-N 1 0 394.234 2.200 20 5 GEBDRO CN(C)C(=O)CCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289850960 532866739 /nfs/dbraw/zinc/86/67/39/532866739.db2.gz KSFKCCMEYMFCOD-UHFFFAOYSA-N 1 0 391.209 2.157 20 5 GEBDRO Cc1nccn1CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000290061439 532871736 /nfs/dbraw/zinc/87/17/36/532871736.db2.gz XVAGEGJDOHFNAT-UHFFFAOYSA-N 1 0 386.193 2.494 20 5 GEBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000416408198 532876494 /nfs/dbraw/zinc/87/64/94/532876494.db2.gz OOSBHBWKQZCIAH-ONGXEEELSA-N 1 0 381.376 2.375 20 5 GEBDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000290738513 532888031 /nfs/dbraw/zinc/88/80/31/532888031.db2.gz LUNJQMBZWBFBOH-ZWNOBZJWSA-N 1 0 391.852 2.492 20 5 GEBDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000290759396 532888499 /nfs/dbraw/zinc/88/84/99/532888499.db2.gz NJKBXFZCCOUAEK-ZJUUUORDSA-N 1 0 379.841 2.491 20 5 GEBDRO CC[NH+]1CCN(CCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291409294 532901407 /nfs/dbraw/zinc/90/14/07/532901407.db2.gz AIGLQFSBPKPQLL-UHFFFAOYSA-N 1 0 375.256 2.269 20 5 GEBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291500401 532903282 /nfs/dbraw/zinc/90/32/82/532903282.db2.gz MPSUJMXLCYFTSM-SNVBAGLBSA-N 1 0 375.256 2.267 20 5 GEBDRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)C2)C1 ZINC000291999212 532911813 /nfs/dbraw/zinc/91/18/13/532911813.db2.gz LFALQLXVLUZYOY-CQSZACIVSA-N 1 0 377.825 2.104 20 5 GEBDRO C[C@@H](CCCC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000293440358 532926916 /nfs/dbraw/zinc/92/69/16/532926916.db2.gz OVXPLODWWSDHCE-VIFPVBQESA-N 1 0 391.209 2.447 20 5 GEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000368550069 532933323 /nfs/dbraw/zinc/93/33/23/532933323.db2.gz FSTHTXSWEXRTMS-MNOVXSKESA-N 1 0 383.246 2.451 20 5 GEBDRO Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)[NH+]2CCCC2)o1 ZINC000737320575 598247128 /nfs/dbraw/zinc/24/71/28/598247128.db2.gz RHQZXRQMSVGYOW-AWEZNQCLSA-N 1 0 384.400 2.320 20 5 GEBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000738360665 598251921 /nfs/dbraw/zinc/25/19/21/598251921.db2.gz RUYMAOQZQDDKBS-UHFFFAOYSA-N 1 0 379.424 2.140 20 5 GEBDRO Cn1cc(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000737600958 598465818 /nfs/dbraw/zinc/46/58/18/598465818.db2.gz CJVLVAIONZFLLX-UHFFFAOYSA-N 1 0 390.407 2.465 20 5 GEBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736135481 598581378 /nfs/dbraw/zinc/58/13/78/598581378.db2.gz YLWDSKFYRYAAHZ-SJKOYZFVSA-N 1 0 393.407 2.231 20 5 GEBDRO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000820411329 599391071 /nfs/dbraw/zinc/39/10/71/599391071.db2.gz ITBCXAJMOFYZSR-RYUDHWBXSA-N 1 0 381.396 2.453 20 5 GEBDRO O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc(-c3nn[nH]n3)c2c1 ZINC000823645539 599483387 /nfs/dbraw/zinc/48/33/87/599483387.db2.gz TUJJSJWUSOFKCK-NEPJUHHUSA-N 1 0 380.412 2.362 20 5 GEBDRO CN(c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821619237 606715606 /nfs/dbraw/zinc/71/56/06/606715606.db2.gz OUKPOACSSVCLFP-OAHLLOKOSA-N 1 0 394.439 2.271 20 5 GEBDRO C[NH+](C)CCN(Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821586491 607114870 /nfs/dbraw/zinc/11/48/70/607114870.db2.gz ZYYMQAYHWIVQKV-UHFFFAOYSA-N 1 0 385.403 2.482 20 5 GEBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCc1ccccc1C[NH+]1CCCC1 ZINC000823625604 607165375 /nfs/dbraw/zinc/16/53/75/607165375.db2.gz ZJAPGOXVDGCYMV-UHFFFAOYSA-N 1 0 380.412 2.378 20 5 GEBDRO O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]([NH+]4CCCC4)C3)cc(-c3nn[nH]n3)c2c1 ZINC000826499829 608370301 /nfs/dbraw/zinc/37/03/01/608370301.db2.gz ZKDKIQSBQZWGMV-CQSZACIVSA-N 1 0 394.439 2.388 20 5 GEBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000824553986 608482886 /nfs/dbraw/zinc/48/28/86/608482886.db2.gz LGZWFPKPVNTZEM-GFCCVEGCSA-N 1 0 393.407 2.015 20 5 GEBDRO O=C1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476255 609415581 /nfs/dbraw/zinc/41/55/81/609415581.db2.gz DICBMTBIKCQGNW-QGZVFWFLSA-N 1 0 393.407 2.060 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000447250896 650003636 /nfs/dbraw/zinc/00/36/36/650003636.db2.gz XHOWZCVZNQWLGG-ZJUUUORDSA-N 1 0 392.275 2.024 20 5 GEBDRO C[NH+](C)CCOCCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501083690 650387739 /nfs/dbraw/zinc/38/77/39/650387739.db2.gz MUNSJIAJFQCNKG-UHFFFAOYSA-N 1 0 375.223 2.057 20 5 GEBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000512860851 650555388 /nfs/dbraw/zinc/55/53/88/650555388.db2.gz KVVCQPPJKJKKEZ-SWLSCSKDSA-N 1 0 375.878 2.446 20 5 GEBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000480631025 650626045 /nfs/dbraw/zinc/62/60/45/650626045.db2.gz MWSVRLYTTLHYHS-SNVBAGLBSA-N 1 0 394.291 2.366 20 5 GEBDRO O=C(COc1ccc(Br)cc1[N+](=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000525112997 650649754 /nfs/dbraw/zinc/64/97/54/650649754.db2.gz DDSZKRQZDDUPRB-UHFFFAOYSA-N 1 0 398.257 2.479 20 5 GEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](CCO)Cc1cccc(Br)c1 ZINC000488236507 650743211 /nfs/dbraw/zinc/74/32/11/650743211.db2.gz QSUCQTDDTHHSAL-UHFFFAOYSA-N 1 0 396.241 2.014 20 5 GEBDRO O=C(NCC[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1I ZINC000040435806 642522951 /nfs/dbraw/zinc/52/29/51/642522951.db2.gz NPGHYADVTXPONL-UHFFFAOYSA-N 1 0 389.193 2.025 20 5 GEBDRO CN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000107062640 643248997 /nfs/dbraw/zinc/24/89/97/643248997.db2.gz XQPXPUISUJUJIN-UHFFFAOYSA-N 1 0 391.209 2.223 20 5 GEBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000109065084 643288838 /nfs/dbraw/zinc/28/88/38/643288838.db2.gz ZFACPPXFWHQRBW-JTQLQIEISA-N 1 0 394.291 2.366 20 5 GEBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000162100937 644232558 /nfs/dbraw/zinc/23/25/58/644232558.db2.gz YPGDUJIZQOHVRV-GFCCVEGCSA-N 1 0 399.289 2.113 20 5 GEBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000162100803 644232649 /nfs/dbraw/zinc/23/26/49/644232649.db2.gz YPGDUJIZQOHVRV-LBPRGKRZSA-N 1 0 399.289 2.113 20 5 GEBDRO CCn1c(CC[NH3+])nnc1Sc1ncc([N+](=O)[O-])c(C)c1Br ZINC000543434440 650911336 /nfs/dbraw/zinc/91/13/36/650911336.db2.gz VBCSLDJGKIRVBW-UHFFFAOYSA-N 1 0 387.263 2.325 20 5 GEBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000177283700 644412927 /nfs/dbraw/zinc/41/29/27/644412927.db2.gz KBUUIYCUGXVLHB-GFCCVEGCSA-N 1 0 399.289 2.113 20 5 GEBDRO CC1(CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000193371786 645268523 /nfs/dbraw/zinc/26/85/23/645268523.db2.gz ASSWBEWOEMPMID-UHFFFAOYSA-N 1 0 392.275 2.025 20 5 GEBDRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000236652305 645416057 /nfs/dbraw/zinc/41/60/57/645416057.db2.gz PNXLUFRKQLEVBP-LLVKDONJSA-N 1 0 394.291 2.351 20 5 GEBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000237904173 645448029 /nfs/dbraw/zinc/44/80/29/645448029.db2.gz UMOHKVVQYXFEJD-ONGXEEELSA-N 1 0 392.275 2.153 20 5 GEBDRO COc1ccc(Br)cc1C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266472805 645845696 /nfs/dbraw/zinc/84/56/96/645845696.db2.gz RTSGVGJBGYRYLP-CQSZACIVSA-N 1 0 399.245 2.055 20 5 GEBDRO Cn1c(Sc2ncc([N+](=O)[O-])cc2Br)nnc1[C@@H]1CCC[NH2+]C1 ZINC000267210643 645887967 /nfs/dbraw/zinc/88/79/67/645887967.db2.gz HFMMWXUFVUNZHW-MRVPVSSYSA-N 1 0 399.274 2.499 20 5 GEBDRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000277677621 646460348 /nfs/dbraw/zinc/46/03/48/646460348.db2.gz GOQNGBAULXJKNT-GFCCVEGCSA-N 1 0 391.877 2.027 20 5 GEBDRO CC[NH+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 ZINC000284220632 646836214 /nfs/dbraw/zinc/83/62/14/646836214.db2.gz DGQZSWCFZFACSX-UHFFFAOYSA-N 1 0 399.289 2.033 20 5 GEBDRO C[C@@H](C[NH+](C)C)NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000287921036 646900593 /nfs/dbraw/zinc/90/05/93/646900593.db2.gz CSCYPRCKOQNPND-JTQLQIEISA-N 1 0 385.262 2.375 20 5 GEBDRO CS[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000330528116 647341925 /nfs/dbraw/zinc/34/19/25/647341925.db2.gz FCUGNVMHMLUCJM-OLZOCXBDSA-N 1 0 388.287 2.475 20 5 GEBDRO C[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362660080 647571429 /nfs/dbraw/zinc/57/14/29/647571429.db2.gz UUHKFVYEHSVOQH-TZMCWYRMSA-N 1 0 398.305 2.215 20 5 GEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000362720276 647572752 /nfs/dbraw/zinc/57/27/52/647572752.db2.gz UOICLSDBFZGJJN-UHFFFAOYSA-N 1 0 396.245 2.053 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1C[C@H]2[C@H](C1)C[N@@H+]1CCCC[C@@H]21 ZINC000363260506 647589559 /nfs/dbraw/zinc/58/95/59/647589559.db2.gz WXAHUCRKWXVXMF-UBHSHLNASA-N 1 0 385.873 2.353 20 5 GEBDRO CN(C1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000365121396 647660410 /nfs/dbraw/zinc/66/04/10/647660410.db2.gz PSTAEKJOFGHTSL-UHFFFAOYSA-N 1 0 382.467 2.341 20 5 GEBDRO O=[N+]([O-])c1cncc(I)c1NC1CC[NH+](C2CC2)CC1 ZINC000418822688 648314382 /nfs/dbraw/zinc/31/43/82/648314382.db2.gz XDJCVKMVFMVFPB-UHFFFAOYSA-N 1 0 388.209 2.055 20 5 GEBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2c(I)cncc2[N+](=O)[O-])C1 ZINC000418889583 648321171 /nfs/dbraw/zinc/32/11/71/648321171.db2.gz IAZIDGGIAFCBSL-VHSXEESVSA-N 1 0 390.225 2.301 20 5 GEBDRO CC1(C)C[NH2+]CC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000420365829 648414765 /nfs/dbraw/zinc/41/47/65/648414765.db2.gz LRROOZUKALQLFE-ZDUSSCGKSA-N 1 0 385.262 2.274 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c(Cl)c1 ZINC000420468155 648418803 /nfs/dbraw/zinc/41/88/03/648418803.db2.gz ZLJKUUNIOJNRTH-DZGCQCFKSA-N 1 0 381.841 2.282 20 5 GEBDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000420764827 648453345 /nfs/dbraw/zinc/45/33/45/648453345.db2.gz KMSPWIMVPWETER-LLVKDONJSA-N 1 0 392.275 2.072 20 5 GEBDRO CC1(C)[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@H]1O ZINC000558490820 651280766 /nfs/dbraw/zinc/28/07/66/651280766.db2.gz IJMNCFJSFKJPNP-NEPJUHHUSA-N 1 0 376.194 2.448 20 5 GEBDRO C[NH2+][C@H](C)c1cn(Cc2cc(I)cc([N+](=O)[O-])c2)nn1 ZINC000603237271 651473018 /nfs/dbraw/zinc/47/30/18/651473018.db2.gz PUGAHGUIEDFRJG-MRVPVSSYSA-N 1 0 387.181 2.120 20 5 GEBDRO C[NH+](C)CCn1nccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000563287243 651522532 /nfs/dbraw/zinc/52/25/32/651522532.db2.gz TVSONDURINDUGR-UHFFFAOYSA-N 1 0 382.218 2.368 20 5 GEBDRO C[C@@H](O)C[NH+]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000609512042 651621562 /nfs/dbraw/zinc/62/15/62/651621562.db2.gz AOOLLAHZVODJCX-LLVKDONJSA-N 1 0 395.257 2.408 20 5 GEBDRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000732221844 651649088 /nfs/dbraw/zinc/64/90/88/651649088.db2.gz MQGOXDOVPFLDBZ-UHFFFAOYSA-N 1 0 385.467 2.422 20 5 GEBDRO COCC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000568149144 651652741 /nfs/dbraw/zinc/65/27/41/651652741.db2.gz BMHUCKFXKFBXGB-UHFFFAOYSA-N 1 0 386.246 2.198 20 5 GEBDRO C[NH+](C)CCn1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000610570880 651671002 /nfs/dbraw/zinc/67/10/02/651671002.db2.gz RNVUFPKMCSVSHW-UHFFFAOYSA-N 1 0 382.218 2.368 20 5 GEBDRO COC(=O)C1(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000568820336 651681950 /nfs/dbraw/zinc/68/19/50/651681950.db2.gz JRKKUXKVDJRFOX-UHFFFAOYSA-N 1 0 390.177 2.242 20 5 GEBDRO O=[N+]([O-])c1cc(Br)cnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000610769887 651684207 /nfs/dbraw/zinc/68/42/07/651684207.db2.gz HZZIZFPYNSXFSH-UHFFFAOYSA-N 1 0 385.262 2.301 20 5 GEBDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000569892316 651731820 /nfs/dbraw/zinc/73/18/20/651731820.db2.gz YUFCONQBLMKVNE-SNVBAGLBSA-N 1 0 394.291 2.364 20 5 GEBDRO [NH3+]C[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000576516999 652124342 /nfs/dbraw/zinc/12/43/42/652124342.db2.gz LOWUQWLJHCUONY-LBPRGKRZSA-N 1 0 398.257 2.185 20 5 GEBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000577951338 652231175 /nfs/dbraw/zinc/23/11/75/652231175.db2.gz NQEZOKNCBWOJBY-LLVKDONJSA-N 1 0 391.209 2.447 20 5 GEBDRO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000580073385 652365986 /nfs/dbraw/zinc/36/59/86/652365986.db2.gz IVMQAWQDYUUCRZ-KOLCDFICSA-N 1 0 381.376 2.409 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)c(Br)c1 ZINC000581488811 652415295 /nfs/dbraw/zinc/41/52/95/652415295.db2.gz ZMBVWDJXJDDKOM-SNVBAGLBSA-N 1 0 392.275 2.168 20 5 GEBDRO CCC(CC)(C[NH3+])NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000582057143 652433425 /nfs/dbraw/zinc/43/34/25/652433425.db2.gz KGLMFJFZYUIGJB-UHFFFAOYSA-N 1 0 391.209 2.447 20 5 GEBDRO C[NH+](C)C[C@@H]1CCCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000757506033 652517945 /nfs/dbraw/zinc/51/79/45/652517945.db2.gz MTPBNJLCZYWZBG-JTQLQIEISA-N 1 0 381.376 2.419 20 5 GEBDRO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H](O)C1CC1 ZINC000589255294 652563636 /nfs/dbraw/zinc/56/36/36/652563636.db2.gz MOOAVYHCTPAHNJ-CYBMUJFWSA-N 1 0 376.194 2.402 20 5 GEBDRO CO[C@@]1(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCOC1 ZINC000589317812 652565594 /nfs/dbraw/zinc/56/55/94/652565594.db2.gz KLHSCMVWOVFEOL-CYBMUJFWSA-N 1 0 392.193 2.095 20 5 GEBDRO C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000594969605 652699223 /nfs/dbraw/zinc/69/92/23/652699223.db2.gz QWJOUNQOLKCUNR-VIFPVBQESA-N 1 0 376.194 2.450 20 5 GEBDRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C2 ZINC000598725344 652831646 /nfs/dbraw/zinc/83/16/46/652831646.db2.gz OABCGGAVFWBRJW-ZANVPECISA-N 1 0 379.360 2.116 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)c(C(F)(F)F)c1 ZINC000599098779 652849271 /nfs/dbraw/zinc/84/92/71/652849271.db2.gz ATTKZPVFVXUCTH-GFCCVEGCSA-N 1 0 379.360 2.177 20 5 GEBDRO Cc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000599102235 652849581 /nfs/dbraw/zinc/84/95/81/652849581.db2.gz PTWCEXOHHYXGOO-PWSUYJOCSA-N 1 0 381.376 2.051 20 5 GEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000599102233 652849648 /nfs/dbraw/zinc/84/96/48/652849648.db2.gz PTWCEXOHHYXGOO-CMPLNLGQSA-N 1 0 381.376 2.051 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599103378 652850121 /nfs/dbraw/zinc/85/01/21/652850121.db2.gz IEHRHWOVSJTJHE-WPRPVWTQSA-N 1 0 392.275 2.085 20 5 GEBDRO Cc1c(Br)cc(C(=O)NC2CC(N3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000600068011 652901951 /nfs/dbraw/zinc/90/19/51/652901951.db2.gz YQZBCUBKTIUYIK-UHFFFAOYSA-N 1 0 398.257 2.259 20 5 GEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+](CCO)CCO)o2)c(Br)c1 ZINC000600179603 652906195 /nfs/dbraw/zinc/90/61/95/652906195.db2.gz RBCFXJBUKQGSCA-UHFFFAOYSA-N 1 0 385.214 2.404 20 5 GEBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000602496427 653186773 /nfs/dbraw/zinc/18/67/73/653186773.db2.gz CVORJCFTUNBSIF-DOMZBBRYSA-N 1 0 398.257 2.326 20 5 GEBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1Br ZINC000602664562 653198729 /nfs/dbraw/zinc/19/87/29/653198729.db2.gz GTJJODNJQFCWJO-QMMMGPOBSA-N 1 0 383.289 2.333 20 5 GEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000602780550 653206193 /nfs/dbraw/zinc/20/61/93/653206193.db2.gz AITHMTBMCYVERW-UHFFFAOYSA-N 1 0 383.250 2.396 20 5 GEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000602886645 653212594 /nfs/dbraw/zinc/21/25/94/653212594.db2.gz LBLSPXMJBVQREN-CYBMUJFWSA-N 1 0 396.245 2.411 20 5 GEBDRO CC(C)[C@H]([NH3+])CCNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000700984863 653319183 /nfs/dbraw/zinc/31/91/83/653319183.db2.gz YYDRKMYRKOYMMX-GFCCVEGCSA-N 1 0 391.209 2.303 20 5 GEBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809702586 653290629 /nfs/dbraw/zinc/29/06/29/653290629.db2.gz WDOYSNFVIDJDNB-TZMCWYRMSA-N 1 0 375.878 2.446 20 5 GEBDRO C[NH2+]CCOCCN(C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000859667088 653480349 /nfs/dbraw/zinc/48/03/49/653480349.db2.gz BAVHFIDERBHKNN-UHFFFAOYSA-N 1 0 375.223 2.057 20 5 GEBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000814987196 653642053 /nfs/dbraw/zinc/64/20/53/653642053.db2.gz LLKMWLCXRYIHCR-VIFPVBQESA-N 1 0 377.825 2.150 20 5 GEBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815018986 653644143 /nfs/dbraw/zinc/64/41/43/653644143.db2.gz FPIJREAPXPHBOG-SNVBAGLBSA-N 1 0 379.841 2.492 20 5 GEBDRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCSC1 ZINC000815020696 653644457 /nfs/dbraw/zinc/64/44/57/653644457.db2.gz CMHMFTIMBLMROO-CYBMUJFWSA-N 1 0 397.881 2.103 20 5 GEBDRO COC[C@]1(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000841162337 653708655 /nfs/dbraw/zinc/70/86/55/653708655.db2.gz URGPSLCTMAZXRJ-CQSZACIVSA-N 1 0 387.234 2.247 20 5 GEBDRO C[C@H]([NH3+])[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841234625 653711611 /nfs/dbraw/zinc/71/16/11/653711611.db2.gz QIUJIDOZEBBVKY-BQBZGAKWSA-N 1 0 378.170 2.057 20 5 GEBDRO CC(C)(CC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000817868725 653721825 /nfs/dbraw/zinc/72/18/25/653721825.db2.gz PAHKGBTWEUVTMZ-UHFFFAOYSA-N 1 0 392.197 2.448 20 5 GEBDRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000841516412 653725197 /nfs/dbraw/zinc/72/51/97/653725197.db2.gz ZAWPLTDFRAAZAN-JTQLQIEISA-N 1 0 381.376 2.376 20 5 GEBDRO C[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)[C@H]1C[NH3+] ZINC000842721862 653764574 /nfs/dbraw/zinc/76/45/74/653764574.db2.gz MFLWHFPTFWNRJF-SKDRFNHKSA-N 1 0 392.275 2.105 20 5 GEBDRO C[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000842723111 653764768 /nfs/dbraw/zinc/76/47/68/653764768.db2.gz XDKCTPMSYYTZJQ-CABZTGNLSA-N 1 0 392.275 2.105 20 5 GEBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000842896550 653772912 /nfs/dbraw/zinc/77/29/12/653772912.db2.gz WRFZQVVUKMPBAV-LLVKDONJSA-N 1 0 392.275 2.168 20 5 GEBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000843042924 653777755 /nfs/dbraw/zinc/77/77/55/653777755.db2.gz XFTNYAFVGQGRCC-HTQZYQBOSA-N 1 0 392.197 2.447 20 5 GEBDRO C[N@@H+]1CC[C@H]2CN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866205488 653788891 /nfs/dbraw/zinc/78/88/91/653788891.db2.gz MRKMLRUVDGDQLS-CMPLNLGQSA-N 1 0 375.397 2.122 20 5 GEBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000790879602 653799822 /nfs/dbraw/zinc/79/98/22/653799822.db2.gz ICKQFMDYPIJSDC-JTQLQIEISA-N 1 0 394.291 2.366 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866828708 653834296 /nfs/dbraw/zinc/83/42/96/653834296.db2.gz XPIAWKVSOOESBB-QWRGUYRKSA-N 1 0 380.253 2.417 20 5 GEBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)NCc3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000896447161 653880344 /nfs/dbraw/zinc/88/03/44/653880344.db2.gz QNWHCQYEMGYGJG-SMDDNHRTSA-N 1 0 383.246 2.203 20 5 GEBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)NCCC2CC[NH2+]CC2)c1 ZINC000846234264 653892396 /nfs/dbraw/zinc/89/23/96/653892396.db2.gz LTJDCHZWQYIUEU-UHFFFAOYSA-N 1 0 392.275 2.025 20 5 GEBDRO CCO[C@@H]1CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000846307763 653895322 /nfs/dbraw/zinc/89/53/22/653895322.db2.gz UKDWIIMHPQDLIT-NOZJJQNGSA-N 1 0 387.234 2.185 20 5 GEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000867307954 653912603 /nfs/dbraw/zinc/91/26/03/653912603.db2.gz FFGSOTATFKYYJT-BXKDBHETSA-N 1 0 392.275 2.070 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000795796334 653967304 /nfs/dbraw/zinc/96/73/04/653967304.db2.gz OHRDPRBDMYLUES-VXGBXAGGSA-N 1 0 377.825 2.292 20 5 GEBDRO C[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C[NH+]1CCCC1 ZINC000795806820 653967605 /nfs/dbraw/zinc/96/76/05/653967605.db2.gz ZRKWMLCOXSYBQB-JTQLQIEISA-N 1 0 379.841 2.398 20 5 GEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795837512 653969461 /nfs/dbraw/zinc/96/94/61/653969461.db2.gz IZBZVQUOFNTIFE-SNVBAGLBSA-N 1 0 379.841 2.350 20 5 GEBDRO CN(CC(=O)N1CCC[C@@H]([NH+](C)C)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796031502 653982672 /nfs/dbraw/zinc/98/26/72/653982672.db2.gz FXTHXVWEEHBUAV-CYBMUJFWSA-N 1 0 399.289 2.346 20 5 GEBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)CC[C@@H]21 ZINC000867809894 653991019 /nfs/dbraw/zinc/99/10/19/653991019.db2.gz VDXQMGUAQLTBCM-SKDRFNHKSA-N 1 0 377.825 2.102 20 5 GEBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)CC[C@H]21 ZINC000867809891 653991132 /nfs/dbraw/zinc/99/11/32/653991132.db2.gz VDXQMGUAQLTBCM-BXKDBHETSA-N 1 0 377.825 2.102 20 5 GEBDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000827597536 653998997 /nfs/dbraw/zinc/99/89/97/653998997.db2.gz CWRSHOCPEZCGIY-HOTGVXAUSA-N 1 0 397.273 2.353 20 5 GEBDRO C[C@@H]1CC[N@H+](CCNC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000796867915 654010677 /nfs/dbraw/zinc/01/06/77/654010677.db2.gz XWYUYKRRHVVNLL-GFCCVEGCSA-N 1 0 399.289 2.252 20 5 GEBDRO C[C@H](CCNS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])[NH+](C)C ZINC000849429917 654032690 /nfs/dbraw/zinc/03/26/90/654032690.db2.gz XFQAKCQLPQJDKE-MRVPVSSYSA-N 1 0 398.254 2.115 20 5 GEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000868967716 654064980 /nfs/dbraw/zinc/06/49/80/654064980.db2.gz QDRGXXXXCKVQNC-SWLSCSKDSA-N 1 0 382.258 2.452 20 5 GEBDRO O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000900790875 654080386 /nfs/dbraw/zinc/08/03/86/654080386.db2.gz AIOHXNUIGMDNAU-QWHCGFSZSA-N 1 0 398.257 2.029 20 5 GEBDRO C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000900812093 654082091 /nfs/dbraw/zinc/08/20/91/654082091.db2.gz RHHMPABZMKZIKE-SMDDNHRTSA-N 1 0 386.905 2.091 20 5 GEBDRO C[NH+](C)CCn1nnnc1SCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000800834141 654159968 /nfs/dbraw/zinc/15/99/68/654159968.db2.gz WKZLRIXPDHAHSP-UHFFFAOYSA-N 1 0 387.263 2.198 20 5 GEBDRO CN(CC(=O)NCC[N@H+]1CC=CCC1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000803284781 654272302 /nfs/dbraw/zinc/27/23/02/654272302.db2.gz RYNYFDIUJANJLQ-UHFFFAOYSA-N 1 0 397.273 2.172 20 5 GEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000853081929 654278043 /nfs/dbraw/zinc/27/80/43/654278043.db2.gz YSFDKOSCNMNPSR-JTQLQIEISA-N 1 0 375.756 2.067 20 5 GEBDRO Cc1cc(NCCS(=O)(=O)CC(F)(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000853815646 654322662 /nfs/dbraw/zinc/32/26/62/654322662.db2.gz DNCXIRIOJUXJRL-UHFFFAOYSA-N 1 0 377.344 2.262 20 5 GEBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000834564451 654335232 /nfs/dbraw/zinc/33/52/32/654335232.db2.gz KKTXCVUSILBFJM-OAHLLOKOSA-N 1 0 376.240 2.430 20 5 GEBDRO C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000905642315 654371620 /nfs/dbraw/zinc/37/16/20/654371620.db2.gz HHNPRDBZSSCJJB-IAQYHMDHSA-N 1 0 383.246 2.308 20 5 GEBDRO COC(OC)[C@@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000922312663 654382623 /nfs/dbraw/zinc/38/26/23/654382623.db2.gz 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O=[N+]([O-])c1cccc(CN2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1Br ZINC000934276643 654842720 /nfs/dbraw/zinc/84/27/20/654842720.db2.gz ZGCGIQYCRSAUIU-KGLIPLIRSA-N 1 0 384.274 2.388 20 5 GEBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)ncc1[N+](=O)[O-])C2 ZINC001164807534 720071839 /nfs/dbraw/zinc/07/18/39/720071839.db2.gz FVCRKPXVMVUKFQ-GUYCJALGSA-N 1 0 381.864 2.223 20 5 GEBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc([N+](=O)[O-])c(OC)n1)C2 ZINC001164810381 720087685 /nfs/dbraw/zinc/08/76/85/720087685.db2.gz LKBHMUAWCNCZCM-BEFAXECRSA-N 1 0 376.457 2.183 20 5 GEBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])C2 ZINC001164811742 720138379 /nfs/dbraw/zinc/13/83/79/720138379.db2.gz NDONITVJKOCPBM-KBXCAEBGSA-N 1 0 396.875 2.066 20 5 GEBDRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835956 720596626 /nfs/dbraw/zinc/59/66/26/720596626.db2.gz DAJCJQMMDRPRBA-QILLFSRXSA-N 1 0 385.472 2.146 20 5 GEBDRO Cc1cc([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1Cl ZINC001164737251 720667521 /nfs/dbraw/zinc/66/75/21/720667521.db2.gz DUMSXUJEXGDKDC-OLZOCXBDSA-N 1 0 390.831 2.084 20 5 GEBDRO Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1[N+](=O)[O-] ZINC001164742120 720810822 /nfs/dbraw/zinc/81/08/22/720810822.db2.gz CEVSNXNPRBKMRT-ZHALLVOQSA-N 1 0 397.483 2.269 20 5 GEBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)CC[C@H]2C1 ZINC001164858212 720848381 /nfs/dbraw/zinc/84/83/81/720848381.db2.gz ZCJYOZCWNUORQJ-QFBILLFUSA-N 1 0 386.452 2.317 20 5 GEBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])[C@@H]2C ZINC001164857123 720976840 /nfs/dbraw/zinc/97/68/40/720976840.db2.gz CLAHACLWLKEARA-GFCCVEGCSA-N 1 0 394.863 2.500 20 5 GEBDRO Cc1nc(Cl)nc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC001164762976 721074519 /nfs/dbraw/zinc/07/45/19/721074519.db2.gz FPWLKYRFSUWYRB-KGLIPLIRSA-N 1 0 391.863 2.038 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc(Cl)cc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164771583 721077895 /nfs/dbraw/zinc/07/78/95/721077895.db2.gz SCESOHNZPJJYLU-KBPBESRZSA-N 1 0 376.848 2.335 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cnc5ccc([N+](=O)[O-])cc5n4)C[C@@H]3C2)cn1 ZINC001164772679 721085773 /nfs/dbraw/zinc/08/57/73/721085773.db2.gz VRNKKQMWEUFWHY-HOTGVXAUSA-N 1 0 393.451 2.230 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5ccc([N+](=O)[O-])cc54)C[C@@H]3C2)cn1 ZINC001164766393 721115143 /nfs/dbraw/zinc/11/51/43/721115143.db2.gz KYWGFNSBEMYPIR-HOTGVXAUSA-N 1 0 393.451 2.230 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5ccc([N+](=O)[O-])cc54)C[C@@H]3C2)cn1 ZINC001164766392 721116610 /nfs/dbraw/zinc/11/66/10/721116610.db2.gz KYWGFNSBEMYPIR-CVEARBPZSA-N 1 0 393.451 2.230 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5cc([N+](=O)[O-])ccc54)C[C@H]3C2)cn1 ZINC001164773743 721119097 /nfs/dbraw/zinc/11/90/97/721119097.db2.gz YVLOBFFTCLBYMS-HZPDHXFCSA-N 1 0 393.451 2.230 20 5 GEBDRO COc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164909310 721527505 /nfs/dbraw/zinc/52/75/05/721527505.db2.gz RHIKPOAVSLEBJU-GOEBONIOSA-N 1 0 388.399 2.479 20 5 GEBDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001164934769 721883150 /nfs/dbraw/zinc/88/31/50/721883150.db2.gz TXIIASJVWPSCNL-MOPGFXCFSA-N 1 0 382.468 2.266 20 5 GEBDRO COc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164979784 722112829 /nfs/dbraw/zinc/11/28/29/722112829.db2.gz PYQMDCWPKFTZPV-APWZRJJASA-N 1 0 399.451 2.121 20 5 GEBDRO C[NH+]1CCC(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000120973926 532005801 /nfs/dbraw/zinc/00/58/01/532005801.db2.gz GVZHLEOMARKFTR-UHFFFAOYSA-N 1 0 389.193 2.023 20 5 GEBDRO C[N@H+](CCc1ccc(Br)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173708500 532027545 /nfs/dbraw/zinc/02/75/45/532027545.db2.gz JOAZCWYMNSVSNO-HNNXBMFYSA-N 1 0 383.246 2.089 20 5 GEBDRO C[NH2+]C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)CC1 ZINC000179145132 532223175 /nfs/dbraw/zinc/22/31/75/532223175.db2.gz NUNHIODMZOKIFV-UHFFFAOYSA-N 1 0 389.193 2.023 20 5 GEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)nc1 ZINC000180942398 532286906 /nfs/dbraw/zinc/28/69/06/532286906.db2.gz JEHGGCMHXNSBAB-NSHDSACASA-N 1 0 384.845 2.272 20 5 GEBDRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000150882349 532303673 /nfs/dbraw/zinc/30/36/73/532303673.db2.gz NZEWKZQOMLCGAN-GFCCVEGCSA-N 1 0 393.893 2.192 20 5 GEBDRO COc1cc(Br)ccc1[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000190447265 532356149 /nfs/dbraw/zinc/35/61/49/532356149.db2.gz XHPXDAFXFYDBPT-MFKMUULPSA-N 1 0 399.245 2.274 20 5 GEBDRO C[NH+](C)C1CC(NC(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000590355697 532368675 /nfs/dbraw/zinc/36/86/75/532368675.db2.gz GMJMGVHGUQAURK-UHFFFAOYSA-N 1 0 389.193 2.022 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000427929070 532437619 /nfs/dbraw/zinc/43/76/19/532437619.db2.gz FJRDOABYDWIYBQ-SECBINFHSA-N 1 0 394.291 2.462 20 5 GEBDRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000592370538 532452309 /nfs/dbraw/zinc/45/23/09/532452309.db2.gz NPTZYIRALCRSGD-UWVGGRQHSA-N 1 0 381.376 2.362 20 5 GEBDRO CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC[C@@H]1[NH3+] ZINC000592381754 532453581 /nfs/dbraw/zinc/45/35/81/532453581.db2.gz DDPVNPDSTAJTEQ-CABZTGNLSA-N 1 0 392.275 2.105 20 5 GEBDRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000237934424 532513649 /nfs/dbraw/zinc/51/36/49/532513649.db2.gz MGWPSNGGBZBUQL-JOYOIKCWSA-N 1 0 381.376 2.409 20 5 GEBDRO [NH3+]C[C@@H]1CCCCN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000564837539 532534162 /nfs/dbraw/zinc/53/41/62/532534162.db2.gz STIZURCVLBLJPO-NSHDSACASA-N 1 0 389.193 2.153 20 5 GEBDRO C[N@@H+]1CCO[C@@H]2CN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])C[C@H]21 ZINC000471691649 532557255 /nfs/dbraw/zinc/55/72/55/532557255.db2.gz GWUKMCYICQKABF-HUUCEWRRSA-N 1 0 393.241 2.425 20 5 GEBDRO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1nccn1C ZINC000595383952 532562010 /nfs/dbraw/zinc/56/20/10/532562010.db2.gz RWGCBYSZHUWHOO-QMMMGPOBSA-N 1 0 389.231 2.130 20 5 GEBDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)C[C@H]21 ZINC000375710748 532577911 /nfs/dbraw/zinc/57/79/11/532577911.db2.gz MWAIPPXZVIYTIA-JOYOIKCWSA-N 1 0 377.825 2.102 20 5 GEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000376523904 532616182 /nfs/dbraw/zinc/61/61/82/532616182.db2.gz YCGHJSQIUSNYEK-MFKMUULPSA-N 1 0 383.246 2.451 20 5 GEBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000262906991 532606513 /nfs/dbraw/zinc/60/65/13/532606513.db2.gz YFGNSAOHTCXOPY-DTWKUNHWSA-N 1 0 389.193 2.022 20 5 GEBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599472147 532661780 /nfs/dbraw/zinc/66/17/80/532661780.db2.gz AIORJJPHRXWTPF-GFCCVEGCSA-N 1 0 399.289 2.113 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(Br)cc2Cl)c1 ZINC000567464577 532654270 /nfs/dbraw/zinc/65/42/70/532654270.db2.gz YGBAYLWDTARJSF-LBPRGKRZSA-N 1 0 389.637 2.358 20 5 GEBDRO CC(C)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000438667777 532674872 /nfs/dbraw/zinc/67/48/72/532674872.db2.gz LTHFIQHRKUTAKJ-CQSZACIVSA-N 1 0 383.246 2.440 20 5 GEBDRO C[C@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000440358315 532711662 /nfs/dbraw/zinc/71/16/62/532711662.db2.gz NGNGJTVMKZRMMV-VHSXEESVSA-N 1 0 392.275 2.024 20 5 GEBDRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440427926 532714390 /nfs/dbraw/zinc/71/43/90/532714390.db2.gz OVFWPOCDCJAYNJ-ZDUSSCGKSA-N 1 0 394.291 2.399 20 5 GEBDRO CO[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000440860897 532723968 /nfs/dbraw/zinc/72/39/68/532723968.db2.gz PQIRVVNSIOHZNU-VHSXEESVSA-N 1 0 398.268 2.028 20 5 GEBDRO C[C@@H](O)[C@H]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000289483568 532856423 /nfs/dbraw/zinc/85/64/23/532856423.db2.gz IPHYNPFRHZDBAV-KOLCDFICSA-N 1 0 376.194 2.402 20 5 GEBDRO C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000416387247 532874642 /nfs/dbraw/zinc/87/46/42/532874642.db2.gz MENINDCGPNCENN-SECBINFHSA-N 1 0 381.376 2.375 20 5 GEBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@H]21 ZINC000368483071 532932788 /nfs/dbraw/zinc/93/27/88/532932788.db2.gz QKAZICKYZYJNQJ-NJZAAPMLSA-N 1 0 382.258 2.486 20 5 GEBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(-c2nn[nH]n2)c1 ZINC000738374950 598945153 /nfs/dbraw/zinc/94/51/53/598945153.db2.gz UVBNQJZKTSOFQA-AWEZNQCLSA-N 1 0 380.412 2.246 20 5 GEBDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000736132920 598960722 /nfs/dbraw/zinc/96/07/22/598960722.db2.gz PPGGJALURZNSSE-SJKOYZFVSA-N 1 0 393.407 2.231 20 5 GEBDRO C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820727075 599109561 /nfs/dbraw/zinc/10/95/61/599109561.db2.gz GJYWXAWRZSJJNO-CQSZACIVSA-N 1 0 394.439 2.271 20 5 GEBDRO O=[N+]([O-])c1cnc(NCc2ccc(C[NH+]3CCCC3)cc2)c(-c2nn[nH]n2)c1 ZINC000823651077 599317549 /nfs/dbraw/zinc/31/75/49/599317549.db2.gz DQMYWIKSBJHRFW-UHFFFAOYSA-N 1 0 380.412 2.378 20 5 GEBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[nH]n2)c1 ZINC000820409875 599386101 /nfs/dbraw/zinc/38/61/01/599386101.db2.gz BFEDSBMIMQZBJZ-NEPJUHHUSA-N 1 0 381.396 2.453 20 5 GEBDRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1c1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821625256 599539449 /nfs/dbraw/zinc/53/94/49/599539449.db2.gz JJDYSTJIMSSSHG-IAGOWNOFSA-N 1 0 394.439 2.386 20 5 GEBDRO CC[N@H+](CCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)C ZINC000444169165 649938847 /nfs/dbraw/zinc/93/88/47/649938847.db2.gz OYTNOMQRQDGDSS-UHFFFAOYSA-N 1 0 394.291 2.366 20 5 GEBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820705545 606710642 /nfs/dbraw/zinc/71/06/42/606710642.db2.gz UZXGBYGEPSHVIU-KGLIPLIRSA-N 1 0 386.460 2.261 20 5 GEBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821597863 606713371 /nfs/dbraw/zinc/71/33/71/606713371.db2.gz JXJBHCAMKNKMLQ-OAHLLOKOSA-N 1 0 394.439 2.128 20 5 GEBDRO CN(c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821619242 606789201 /nfs/dbraw/zinc/78/92/01/606789201.db2.gz OWPKMESJPJANDB-INIZCTEOSA-N 1 0 379.424 2.486 20 5 GEBDRO C[C@@H]([NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000820414367 607047711 /nfs/dbraw/zinc/04/77/11/607047711.db2.gz YDPZNLJMUMDBQM-CYBMUJFWSA-N 1 0 394.439 2.490 20 5 GEBDRO C[NH+](C)CCN(Cc1ccccc1F)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821586376 607114922 /nfs/dbraw/zinc/11/49/22/607114922.db2.gz VJZSUVBEPMSZLB-UHFFFAOYSA-N 1 0 385.403 2.482 20 5 GEBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000823620783 607163294 /nfs/dbraw/zinc/16/32/94/607163294.db2.gz QATAZOYAUZKVAR-LBPRGKRZSA-N 1 0 386.441 2.480 20 5 GEBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000823619802 607165966 /nfs/dbraw/zinc/16/59/66/607165966.db2.gz BGDBFBDRVGLQLQ-UHFFFAOYSA-N 1 0 398.402 2.021 20 5 GEBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000823625161 607168560 /nfs/dbraw/zinc/16/85/60/607168560.db2.gz RNQDQDYKXNPAGG-UHFFFAOYSA-N 1 0 380.412 2.378 20 5 GEBDRO Cc1cccc(NC[C@@H]2CCN(c3ccc(-c4nn[nH]n4)c([N+](=O)[O-])c3)C2)[nH+]1 ZINC000826299570 607841332 /nfs/dbraw/zinc/84/13/32/607841332.db2.gz LFRNDYLEYAYDHP-ZDUSSCGKSA-N 1 0 380.412 2.417 20 5 GEBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c([N+](=O)[O-])c1 ZINC000826209468 608494029 /nfs/dbraw/zinc/49/40/29/608494029.db2.gz CWBYVNBPMUVNGW-NSHDSACASA-N 1 0 397.395 2.073 20 5 GEBDRO [NH3+]CC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(F)(F)F ZINC000449724081 650047805 /nfs/dbraw/zinc/04/78/05/650047805.db2.gz GOWRPCUAGVLTHN-JTQLQIEISA-N 1 0 384.152 2.296 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)c1 ZINC000451576098 650126991 /nfs/dbraw/zinc/12/69/91/650126991.db2.gz ZKPIOSMFKRMMGP-CZUORRHYSA-N 1 0 395.257 2.404 20 5 GEBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000462500538 650481960 /nfs/dbraw/zinc/48/19/60/650481960.db2.gz LAKXNENNNKMFPV-ONGXEEELSA-N 1 0 392.275 2.118 20 5 GEBDRO C[C@H](O)C[NH+]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000489888068 650765157 /nfs/dbraw/zinc/76/51/57/650765157.db2.gz AOOLLAHZVODJCX-NSHDSACASA-N 1 0 395.257 2.408 20 5 GEBDRO O=C(NCCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000118953414 643527535 /nfs/dbraw/zinc/52/75/35/643527535.db2.gz UOJNPKRDQYCMIC-UHFFFAOYSA-N 1 0 386.246 2.200 20 5 GEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000123069932 643664203 /nfs/dbraw/zinc/66/42/03/643664203.db2.gz AHWKYUNLCPFNMW-MWLCHTKSSA-N 1 0 392.275 2.248 20 5 GEBDRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000124371765 643685649 /nfs/dbraw/zinc/68/56/49/643685649.db2.gz OTKKPIHMMKDODE-VHSXEESVSA-N 1 0 392.275 2.105 20 5 GEBDRO C[C@H](O)C[NH+]1CCC(CN(C)c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000130592432 643844102 /nfs/dbraw/zinc/84/41/02/643844102.db2.gz YXRCNGOAECWZHU-NSHDSACASA-N 1 0 387.278 2.281 20 5 GEBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000158150660 644141077 /nfs/dbraw/zinc/14/10/77/644141077.db2.gz AUCYYUDNHRXHGA-NSHDSACASA-N 1 0 392.275 2.072 20 5 GEBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)[N@H+](C)C1CC1 ZINC000170787968 644287049 /nfs/dbraw/zinc/28/70/49/644287049.db2.gz FPZLGLXLHAHFES-SECBINFHSA-N 1 0 392.275 2.118 20 5 GEBDRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000178926581 644444749 /nfs/dbraw/zinc/44/47/49/644444749.db2.gz FLCPRLLVHAXGGE-SECBINFHSA-N 1 0 392.275 2.105 20 5 GEBDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000546094603 650991265 /nfs/dbraw/zinc/99/12/65/650991265.db2.gz GTZJLCPIAZATSS-UHFFFAOYSA-N 1 0 394.291 2.223 20 5 GEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2cc(Cl)cs2)c1 ZINC000193061963 645237066 /nfs/dbraw/zinc/23/70/66/645237066.db2.gz PRJNTKOZWVOWBO-UHFFFAOYSA-N 1 0 375.859 2.378 20 5 GEBDRO [NH3+]C[C@@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCCC1 ZINC000194773265 645347832 /nfs/dbraw/zinc/34/78/32/645347832.db2.gz JAYBUCXNMZVRJJ-LLVKDONJSA-N 1 0 392.275 2.153 20 5 GEBDRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000237479358 645433072 /nfs/dbraw/zinc/43/30/72/645433072.db2.gz PYKUWMWNXUEEKC-VHSXEESVSA-N 1 0 381.376 2.362 20 5 GEBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)[C@H](C)C[NH2+]1 ZINC000237483068 645433121 /nfs/dbraw/zinc/43/31/21/645433121.db2.gz UOUNZFUWCNQKIV-RKDXNWHRSA-N 1 0 389.193 2.022 20 5 GEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262309037 645625513 /nfs/dbraw/zinc/62/55/13/645625513.db2.gz OUSZNDBOLLNWQE-AWEZNQCLSA-N 1 0 381.841 2.414 20 5 GEBDRO CN(CC(C)(C)C[NH3+])C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000262582138 645637706 /nfs/dbraw/zinc/63/77/06/645637706.db2.gz KSZGENKURSJPCL-UHFFFAOYSA-N 1 0 391.209 2.256 20 5 GEBDRO Cn1c(Sc2ncc(Br)cc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000268456122 645970226 /nfs/dbraw/zinc/97/02/26/645970226.db2.gz CHYHEMKPOAAHRW-MRVPVSSYSA-N 1 0 399.274 2.499 20 5 GEBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000269469164 646037238 /nfs/dbraw/zinc/03/72/38/646037238.db2.gz KDPQZFAOLWMOKG-NSHDSACASA-N 1 0 392.275 2.072 20 5 GEBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000270953238 646157494 /nfs/dbraw/zinc/15/74/94/646157494.db2.gz MKBZNZLVZVUXOI-ZDUSSCGKSA-N 1 0 398.305 2.359 20 5 GEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCOCCS(C)(=O)=O ZINC000271419988 646204427 /nfs/dbraw/zinc/20/44/27/646204427.db2.gz ADYUFSNLBWPYKW-ZDUSSCGKSA-N 1 0 376.500 2.116 20 5 GEBDRO COc1cc(C[NH2+][C@@H](C)[C@H](CO)SC)c([N+](=O)[O-])cc1OCC(F)F ZINC000272531086 646275923 /nfs/dbraw/zinc/27/59/23/646275923.db2.gz ZPCOYMZAXUOUIP-XPTSAGLGSA-N 1 0 380.413 2.449 20 5 GEBDRO CS[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@H]1[NH+](C)C ZINC000277332765 646403746 /nfs/dbraw/zinc/40/37/46/646403746.db2.gz RTMCISPTIMRRJB-VXGBXAGGSA-N 1 0 388.287 2.475 20 5 GEBDRO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)cc1Cl ZINC000281309739 646760593 /nfs/dbraw/zinc/76/05/93/646760593.db2.gz ZVVZISXUCNHXOZ-UHFFFAOYSA-N 1 0 377.825 2.292 20 5 GEBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301909278 647276655 /nfs/dbraw/zinc/27/66/55/647276655.db2.gz AWJNSRYRVITEFA-CQSZACIVSA-N 1 0 397.273 2.276 20 5 GEBDRO C[N@@H+]1CCO[C@@H]2CN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])C[C@@H]21 ZINC000408224348 647939196 /nfs/dbraw/zinc/93/91/96/647939196.db2.gz GWUKMCYICQKABF-LSDHHAIUSA-N 1 0 393.241 2.425 20 5 GEBDRO CCC[NH+]1CCC(Nc2c(I)cncc2[N+](=O)[O-])CC1 ZINC000418831985 648315413 /nfs/dbraw/zinc/31/54/13/648315413.db2.gz POYRVQASEHJLEA-UHFFFAOYSA-N 1 0 390.225 2.303 20 5 GEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000419996504 648394089 /nfs/dbraw/zinc/39/40/89/648394089.db2.gz LCSBKQRXHUDBQQ-HNNXBMFYSA-N 1 0 388.262 2.098 20 5 GEBDRO CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000420446680 648417132 /nfs/dbraw/zinc/41/71/32/648417132.db2.gz IBTSYNWYVYXPFB-NSHDSACASA-N 1 0 380.264 2.009 20 5 GEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1CN(S(=O)(=O)CC)C1 ZINC000439143168 648809519 /nfs/dbraw/zinc/80/95/19/648809519.db2.gz AKQUUKQGUDCFFG-CQSZACIVSA-N 1 0 387.527 2.337 20 5 GEBDRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000440801502 648813784 /nfs/dbraw/zinc/81/37/84/648813784.db2.gz ARRBRHGGSBDTOF-JTQLQIEISA-N 1 0 392.275 2.107 20 5 GEBDRO C[C@@]1(CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000440848057 648816853 /nfs/dbraw/zinc/81/68/53/648816853.db2.gz UVYXELSNGCTEAX-CYBMUJFWSA-N 1 0 392.275 2.025 20 5 GEBDRO [NH3+]CC[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000443076503 648859500 /nfs/dbraw/zinc/85/95/00/648859500.db2.gz SLVCPHJYBUFOAP-NSHDSACASA-N 1 0 385.262 2.357 20 5 GEBDRO C[NH+](C)C[C@](C)(O)CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000443702129 648884558 /nfs/dbraw/zinc/88/45/58/648884558.db2.gz AKHHLGZSBCIMGL-OAHLLOKOSA-N 1 0 383.246 2.052 20 5 GEBDRO CC[C@@H]([NH3+])c1cn(Cc2cc(I)cc([N+](=O)[O-])c2)nn1 ZINC000603238210 651473086 /nfs/dbraw/zinc/47/30/86/651473086.db2.gz UFBBTRAFDGBOHQ-LLVKDONJSA-N 1 0 387.181 2.249 20 5 GEBDRO CC[NH+](CC)CCS(=O)(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000562075179 651488295 /nfs/dbraw/zinc/48/82/95/651488295.db2.gz VKJCWZMPDCNGNA-UHFFFAOYSA-N 1 0 383.392 2.375 20 5 GEBDRO C[C@@H](CCC[NH3+])NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000566213893 651603557 /nfs/dbraw/zinc/60/35/57/651603557.db2.gz ACPJBQHTAAKDEO-QMMMGPOBSA-N 1 0 377.182 2.057 20 5 GEBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)CCC[NH3+] ZINC000567612289 651629792 /nfs/dbraw/zinc/62/97/92/651629792.db2.gz HWYZXHZPWLYQPC-MRVPVSSYSA-N 1 0 391.209 2.365 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCc3cc(Br)ccc32)c1 ZINC000610335986 651656939 /nfs/dbraw/zinc/65/69/39/651656939.db2.gz AGUNAADLARXZHS-DZGCQCFKSA-N 1 0 381.230 2.192 20 5 GEBDRO C[C@H]1C[N@H+](C)CCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000568817036 651681503 /nfs/dbraw/zinc/68/15/03/651681503.db2.gz YVYRODJGEMEKRS-JTQLQIEISA-N 1 0 375.210 2.335 20 5 GEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000569340007 651707793 /nfs/dbraw/zinc/70/77/93/651707793.db2.gz ZABXGPKKYPSAJU-MNOVXSKESA-N 1 0 379.360 2.129 20 5 GEBDRO Cc1c(Br)c(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)ncc1[N+](=O)[O-] ZINC000612444734 651756944 /nfs/dbraw/zinc/75/69/44/651756944.db2.gz CZLXUPSAEICELL-ZDUSSCGKSA-N 1 0 398.305 2.277 20 5 GEBDRO Cc1c(Br)c(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ncc1[N+](=O)[O-] ZINC000612444728 651757189 /nfs/dbraw/zinc/75/71/89/651757189.db2.gz CZLXUPSAEICELL-CYBMUJFWSA-N 1 0 398.305 2.277 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cc(Cl)cc(Br)c2)c1 ZINC000572993138 651927961 /nfs/dbraw/zinc/92/79/61/651927961.db2.gz PAYOCGWPLMDNEU-ZDUSSCGKSA-N 1 0 389.637 2.358 20 5 GEBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000573083219 651933281 /nfs/dbraw/zinc/93/32/81/651933281.db2.gz RZIRNAGMQPYLCH-CYBMUJFWSA-N 1 0 391.209 2.303 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@@H](CO)C2CC2)c1 ZINC000573965519 651991885 /nfs/dbraw/zinc/99/18/85/651991885.db2.gz WCPSWPYCCSJDAH-NSHDSACASA-N 1 0 376.194 2.308 20 5 GEBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000577166241 652166542 /nfs/dbraw/zinc/16/65/42/652166542.db2.gz ZLELDBHYQSMNGA-KBPBESRZSA-N 1 0 385.262 2.475 20 5 GEBDRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000582349256 652446756 /nfs/dbraw/zinc/44/67/56/652446756.db2.gz WCZOAXPHAULROC-JTQLQIEISA-N 1 0 381.376 2.234 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H](CO)CC(F)F)c1 ZINC000583841878 652499081 /nfs/dbraw/zinc/49/90/81/652499081.db2.gz PYBWGZGDZUVDPN-SECBINFHSA-N 1 0 386.136 2.305 20 5 GEBDRO CN1CCC[C@H]1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000584498660 652523015 /nfs/dbraw/zinc/52/30/15/652523015.db2.gz AMFQZOSZNMBHLQ-LBPRGKRZSA-N 1 0 375.210 2.383 20 5 GEBDRO CN1CCC[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000589310434 652565425 /nfs/dbraw/zinc/56/54/25/652565425.db2.gz MQDXJUMCJKYYJN-GFCCVEGCSA-N 1 0 375.210 2.383 20 5 GEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000592390460 652593120 /nfs/dbraw/zinc/59/31/20/652593120.db2.gz UXRHGDFUHKXOJK-GFCCVEGCSA-N 1 0 379.360 2.034 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H](CO)C2CCC2)c1 ZINC000594955520 652697666 /nfs/dbraw/zinc/69/76/66/652697666.db2.gz AKPPKALCRIBVLN-ZDUSSCGKSA-N 1 0 376.194 2.450 20 5 GEBDRO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000594965336 652698328 /nfs/dbraw/zinc/69/83/28/652698328.db2.gz FDGKQVLSPUUJFZ-HUUCEWRRSA-N 1 0 382.463 2.225 20 5 GEBDRO O=[N+]([O-])c1cncc(Br)c1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000596315566 652760553 /nfs/dbraw/zinc/76/05/53/652760553.db2.gz YCFQMCXXSNKXFO-UHFFFAOYSA-N 1 0 399.289 2.477 20 5 GEBDRO CN(CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)CC(F)F ZINC000599022951 652845311 /nfs/dbraw/zinc/84/53/11/652845311.db2.gz PDPZXSSEERTWJY-UHFFFAOYSA-N 1 0 399.179 2.486 20 5 GEBDRO CN1CC[C@H]([NH+]2CCC(Nc3ccc([N+](=O)[O-])cc3Br)CC2)C1=O ZINC000601177231 653082460 /nfs/dbraw/zinc/08/24/60/653082460.db2.gz RKPQMRQSCHGWLA-HNNXBMFYSA-N 1 0 397.273 2.464 20 5 GEBDRO CS(=O)(=O)N1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602512924 653187239 /nfs/dbraw/zinc/18/72/39/653187239.db2.gz WVQVVIHZBWIQDH-UHFFFAOYSA-N 1 0 381.376 2.127 20 5 GEBDRO CS(=O)(=O)c1ccc(N(CC[NH3+])Cc2ccc(Cl)nc2)c([N+](=O)[O-])c1 ZINC000809729268 653292974 /nfs/dbraw/zinc/29/29/74/653292974.db2.gz RVIJXXYYZXHJOZ-UHFFFAOYSA-N 1 0 384.845 2.012 20 5 GEBDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000809861045 653311394 /nfs/dbraw/zinc/31/13/94/653311394.db2.gz LJXBIWXVJLZPBE-JTQLQIEISA-N 1 0 394.291 2.364 20 5 GEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000700977025 653318624 /nfs/dbraw/zinc/31/86/24/653318624.db2.gz YWIPDNHWCRKIBG-JGVFFNPUSA-N 1 0 377.182 2.055 20 5 GEBDRO NC(=O)C[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000776934742 653381988 /nfs/dbraw/zinc/38/19/88/653381988.db2.gz ITLOXXLNADUXJN-ZDUSSCGKSA-N 1 0 386.246 2.118 20 5 GEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 ZINC000877108599 653466414 /nfs/dbraw/zinc/46/64/14/653466414.db2.gz QTZNVCWNSAEZIA-UHFFFAOYSA-N 1 0 381.376 2.041 20 5 GEBDRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000877332991 653476689 /nfs/dbraw/zinc/47/66/89/653476689.db2.gz LZRUPNYMVUAXGL-GFCCVEGCSA-N 1 0 398.257 2.246 20 5 GEBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815018907 653644159 /nfs/dbraw/zinc/64/41/59/653644159.db2.gz DKFJFFLBECPRCR-SNVBAGLBSA-N 1 0 379.841 2.350 20 5 GEBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000861701699 653664972 /nfs/dbraw/zinc/66/49/72/653664972.db2.gz DWVOGWZASKSHHY-TVQRCGJNSA-N 1 0 383.246 2.175 20 5 GEBDRO CN(C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CCC([NH3+])CC1 ZINC000841188328 653709665 /nfs/dbraw/zinc/70/96/65/653709665.db2.gz KANLFIQHWRUHCW-UHFFFAOYSA-N 1 0 399.245 2.024 20 5 GEBDRO O=C(NC[C@@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841233941 653711560 /nfs/dbraw/zinc/71/15/60/653711560.db2.gz LIXWNQKHDBPFIY-VIFPVBQESA-N 1 0 390.181 2.073 20 5 GEBDRO [NH3+][C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)C1 ZINC000841234694 653711728 /nfs/dbraw/zinc/71/17/28/653711728.db2.gz SMNYPLNELNCANK-MRVPVSSYSA-N 1 0 390.181 2.154 20 5 GEBDRO O=C(COc1cc([N+](=O)[O-])ccc1Br)NC1CC[NH+](C2CC2)CC1 ZINC000786746590 653727827 /nfs/dbraw/zinc/72/78/27/653727827.db2.gz KSRQONRHFPLMMJ-UHFFFAOYSA-N 1 0 398.257 2.479 20 5 GEBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000818978077 653739990 /nfs/dbraw/zinc/73/99/90/653739990.db2.gz QHZKVKFRHNDPBI-ZDUSSCGKSA-N 1 0 399.289 2.346 20 5 GEBDRO [NH3+]C[C@@H](NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1CC1 ZINC000841946123 653742709 /nfs/dbraw/zinc/74/27/09/653742709.db2.gz GVXGHNZANJXODD-CYBMUJFWSA-N 1 0 383.246 2.162 20 5 GEBDRO O=C(NCC[NH2+]C1CC1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841928249 653742821 /nfs/dbraw/zinc/74/28/21/653742821.db2.gz MBRPOSDYLNSLAT-UHFFFAOYSA-N 1 0 383.246 2.177 20 5 GEBDRO [NH3+][C@@H](CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1CC1 ZINC000841966119 653742975 /nfs/dbraw/zinc/74/29/75/653742975.db2.gz QRDKGSXVUXYJHD-ZDUSSCGKSA-N 1 0 383.246 2.162 20 5 GEBDRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000842482636 653757987 /nfs/dbraw/zinc/75/79/87/653757987.db2.gz CYEBNNHMUUDYPM-LBPRGKRZSA-N 1 0 392.275 2.024 20 5 GEBDRO C[C@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000842699322 653763598 /nfs/dbraw/zinc/76/35/98/653763598.db2.gz KULXWPARDPOXIL-UWVGGRQHSA-N 1 0 392.275 2.024 20 5 GEBDRO CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[C@@H]1[NH3+] ZINC000842792735 653767669 /nfs/dbraw/zinc/76/76/69/653767669.db2.gz LWSLHPPHEFLPKH-CABZTGNLSA-N 1 0 392.275 2.105 20 5 GEBDRO CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[C@H]1[NH3+] ZINC000842792734 653767720 /nfs/dbraw/zinc/76/77/20/653767720.db2.gz LWSLHPPHEFLPKH-BXKDBHETSA-N 1 0 392.275 2.105 20 5 GEBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)c(Br)c1 ZINC000882726596 653800665 /nfs/dbraw/zinc/80/06/65/653800665.db2.gz YEWALHLRRHTORG-LBPRGKRZSA-N 1 0 385.262 2.490 20 5 GEBDRO CC1(C)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)C[C@@H]1[NH3+] ZINC000884353926 653874167 /nfs/dbraw/zinc/87/41/67/653874167.db2.gz IUBKRFYTHGQQKB-WDEREUQCSA-N 1 0 389.193 2.055 20 5 GEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000867308662 653912911 /nfs/dbraw/zinc/91/29/11/653912911.db2.gz MOIUFNFEQIAVBD-BXKDBHETSA-N 1 0 392.275 2.070 20 5 GEBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000867349584 653919895 /nfs/dbraw/zinc/91/98/95/653919895.db2.gz UDTPQUUANKBALL-UHFFFAOYSA-N 1 0 379.841 2.492 20 5 GEBDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)CC[C@@H]21 ZINC000795882890 653974872 /nfs/dbraw/zinc/97/48/72/653974872.db2.gz CCTSZYLNMQYWQR-GWCFXTLKSA-N 1 0 391.852 2.492 20 5 GEBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C12CCC2 ZINC000898832972 653987717 /nfs/dbraw/zinc/98/77/17/653987717.db2.gz YWKPKTJKCJICJN-RYUDHWBXSA-N 1 0 383.246 2.355 20 5 GEBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000867810108 653990977 /nfs/dbraw/zinc/99/09/77/653990977.db2.gz WYMGDUOYHVJVEH-SKDRFNHKSA-N 1 0 377.825 2.102 20 5 GEBDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000867810107 653991107 /nfs/dbraw/zinc/99/11/07/653991107.db2.gz WYMGDUOYHVJVEH-JOYOIKCWSA-N 1 0 377.825 2.102 20 5 GEBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000796483042 653999090 /nfs/dbraw/zinc/99/90/90/653999090.db2.gz PKOVQSMUVORXDP-XHDPSFHLSA-N 1 0 375.878 2.446 20 5 GEBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])C1C[NH+](C2CCOCC2)C1 ZINC000899213502 654004785 /nfs/dbraw/zinc/00/47/85/654004785.db2.gz FCZUUSNTYQCEPT-UHFFFAOYSA-N 1 0 398.257 2.084 20 5 GEBDRO COCCC1(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000868041451 654015828 /nfs/dbraw/zinc/01/58/28/654015828.db2.gz XLHYAJDPCVXUSY-UHFFFAOYSA-N 1 0 386.246 2.246 20 5 GEBDRO Cc1cc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)n1 ZINC000797598548 654037106 /nfs/dbraw/zinc/03/71/06/654037106.db2.gz RYWCUCJMGRZLNK-UHFFFAOYSA-N 1 0 384.845 2.020 20 5 GEBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000828958484 654056277 /nfs/dbraw/zinc/05/62/77/654056277.db2.gz FWICJINKIWLMNI-NWDGAFQWSA-N 1 0 383.246 2.248 20 5 GEBDRO C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000900810946 654082121 /nfs/dbraw/zinc/08/21/21/654082121.db2.gz IVBYFZVIOZQWLF-ZANVPECISA-N 1 0 375.256 2.266 20 5 GEBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000869777792 654122616 /nfs/dbraw/zinc/12/26/16/654122616.db2.gz OMBKAJGWUZICIV-JTQLQIEISA-N 1 0 376.240 2.477 20 5 GEBDRO CC[NH+]1CCC(NC(=O)COc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000902357489 654175426 /nfs/dbraw/zinc/17/54/26/654175426.db2.gz ZZCYDDAUVXMVNB-UHFFFAOYSA-N 1 0 386.246 2.337 20 5 GEBDRO O=[N+]([O-])c1cccc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1Br ZINC000852707910 654254953 /nfs/dbraw/zinc/25/49/53/654254953.db2.gz LFYGMPSYMACSRP-CQSZACIVSA-N 1 0 384.274 2.388 20 5 GEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c1 ZINC000853081263 654277804 /nfs/dbraw/zinc/27/78/04/654277804.db2.gz NQUQEFKDLXBWNJ-SECBINFHSA-N 1 0 375.756 2.067 20 5 GEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(Br)cn1 ZINC000872233631 654318635 /nfs/dbraw/zinc/31/86/35/654318635.db2.gz DJTAZUQZLOVHFQ-CYBMUJFWSA-N 1 0 382.214 2.282 20 5 GEBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@H]1C[NH2+]CCC1(F)F ZINC000892155193 654331564 /nfs/dbraw/zinc/33/15/64/654331564.db2.gz BWJSRCBSUKJVDS-NSHDSACASA-N 1 0 393.188 2.154 20 5 GEBDRO C[NH+]1CCC(NC(=S)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000905530677 654364418 /nfs/dbraw/zinc/36/44/18/654364418.db2.gz PAPBFSKWMRTKQU-UHFFFAOYSA-N 1 0 387.303 2.416 20 5 GEBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C1C[NH+](C2CCOCC2)C1 ZINC000908075484 654602636 /nfs/dbraw/zinc/60/26/36/654602636.db2.gz JKZIVAPSIQMZMP-UHFFFAOYSA-N 1 0 384.230 2.407 20 5 GEBDRO C[NH+]1CCC(N(CCO)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000911941599 654736936 /nfs/dbraw/zinc/73/69/36/654736936.db2.gz UCCQLVJJWCRULU-UHFFFAOYSA-N 1 0 387.889 2.255 20 5 GEBDRO CS[C@@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C[C@@H]1[NH+](C)C ZINC000935111501 654876488 /nfs/dbraw/zinc/87/64/88/654876488.db2.gz PSPGWXZEACBMRA-VHSXEESVSA-N 1 0 376.841 2.087 20 5 GEBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)C[C@@H]21 ZINC001164669925 719469168 /nfs/dbraw/zinc/46/91/68/719469168.db2.gz VXZSLQPCXNKCCF-JKSUJKDBSA-N 1 0 375.816 2.224 20 5 GEBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])C2 ZINC001164815854 720121185 /nfs/dbraw/zinc/12/11/85/720121185.db2.gz WKZAUXUOFDSLNH-KDOFPFPSSA-N 1 0 396.875 2.066 20 5 GEBDRO Cc1nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001164828322 720290470 /nfs/dbraw/zinc/29/04/70/720290470.db2.gz ZXXIHNJIQHNSQU-MSOLQXFVSA-N 1 0 387.484 2.210 20 5 GEBDRO Cc1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164737081 720665658 /nfs/dbraw/zinc/66/56/58/720665658.db2.gz CXXISUSRNQJIMZ-STQMWFEESA-N 1 0 390.831 2.084 20 5 GEBDRO O=[N+]([O-])c1cccc2nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)ccc21 ZINC001164736706 720688995 /nfs/dbraw/zinc/68/89/95/720688995.db2.gz AMZKWIUGPZGYTK-LSDHHAIUSA-N 1 0 392.419 2.275 20 5 GEBDRO Cc1c(C)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164864086 721099240 /nfs/dbraw/zinc/09/92/40/721099240.db2.gz DZLGFSDOCCKTIE-ROUUACIJSA-N 1 0 383.452 2.481 20 5 GEBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc21 ZINC001164865501 721107003 /nfs/dbraw/zinc/10/70/03/721107003.db2.gz LZPBMOIUTHMNQR-JKSUJKDBSA-N 1 0 394.435 2.346 20 5 GEBDRO CCOc1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164865721 721118150 /nfs/dbraw/zinc/11/81/50/721118150.db2.gz OVKCYHINYKQQRU-SJORKVTESA-N 1 0 399.451 2.263 20 5 GEBDRO COc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164909309 721527554 /nfs/dbraw/zinc/52/75/54/721527554.db2.gz RHIKPOAVSLEBJU-GDBMZVCRSA-N 1 0 388.399 2.479 20 5 GEBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])C[C@H]21 ZINC001165027666 721800777 /nfs/dbraw/zinc/80/07/77/721800777.db2.gz XFMWWIWENSCMGL-ATZDWAIDSA-N 1 0 383.452 2.360 20 5 GEBDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164930718 721856819 /nfs/dbraw/zinc/85/68/19/721856819.db2.gz SIQJJERMYSIOOU-HZPDHXFCSA-N 1 0 390.875 2.406 20 5 GEBDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001164929001 721857856 /nfs/dbraw/zinc/85/78/56/721857856.db2.gz PNCMZWXDXPFAOG-ZIAGYGMSSA-N 1 0 389.834 2.403 20 5 GEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982810 722101180 /nfs/dbraw/zinc/10/11/80/722101180.db2.gz PEHAQPRLMBULJF-PKOBYXMFSA-N 1 0 383.452 2.421 20 5 GEBDRO COc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164976644 722111071 /nfs/dbraw/zinc/11/10/71/722111071.db2.gz LZWLUIBWPATPRZ-APWZRJJASA-N 1 0 399.451 2.121 20 5 GEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000154745394 531631291 /nfs/dbraw/zinc/63/12/91/531631291.db2.gz CAVVEDFMTPIMGE-LLVKDONJSA-N 1 0 389.193 2.023 20 5 GEBDRO CC(C)[NH2+]CCCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000123699695 532106328 /nfs/dbraw/zinc/10/63/28/532106328.db2.gz VLSURPRNJXSLML-UHFFFAOYSA-N 1 0 380.264 2.024 20 5 GEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H](O)C[NH+]1CCCCC1 ZINC000183662780 532327449 /nfs/dbraw/zinc/32/74/49/532327449.db2.gz KCQVRFLMTJDSHT-CYBMUJFWSA-N 1 0 387.889 2.303 20 5 GEBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000184382142 532332546 /nfs/dbraw/zinc/33/25/46/532332546.db2.gz UYHIQSDFASORHY-GFCCVEGCSA-N 1 0 399.289 2.113 20 5 GEBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000590900462 532392745 /nfs/dbraw/zinc/39/27/45/532392745.db2.gz YASLUQIZKWKPEQ-LDYMZIIASA-N 1 0 389.193 2.151 20 5 GEBDRO C[C@@H]1CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000591681104 532419658 /nfs/dbraw/zinc/41/96/58/532419658.db2.gz GOVYUOIGUQDKNW-RKDXNWHRSA-N 1 0 389.193 2.022 20 5 GEBDRO CC1(C)C[NH2+]CCN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000591677841 532420165 /nfs/dbraw/zinc/42/01/65/532420165.db2.gz GRSZNADEOIFQKT-UHFFFAOYSA-N 1 0 389.193 2.023 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCOc3c(Br)cccc32)c1 ZINC000282048453 532441633 /nfs/dbraw/zinc/44/16/33/532441633.db2.gz LWCLDQPBGDUMBG-BXUZGUMPSA-N 1 0 397.229 2.028 20 5 GEBDRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000427933642 532437999 /nfs/dbraw/zinc/43/79/99/532437999.db2.gz RTBIEILNDHBEQU-VIFPVBQESA-N 1 0 380.264 2.153 20 5 GEBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)CC[NH+](C)C ZINC000283006439 532512806 /nfs/dbraw/zinc/51/28/06/532512806.db2.gz XSEGXJSRXSHKIL-UHFFFAOYSA-N 1 0 391.209 2.141 20 5 GEBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@H]1CCC[C@H]1O ZINC000246532192 532540309 /nfs/dbraw/zinc/54/03/09/532540309.db2.gz KZIQZNRVMFJVKJ-QMTHXVAHSA-N 1 0 386.246 2.389 20 5 GEBDRO CC[NH+](CC)CC(=O)N1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596106457 532586508 /nfs/dbraw/zinc/58/65/08/532586508.db2.gz CWRUZRKCZYOMAE-UHFFFAOYSA-N 1 0 399.289 2.348 20 5 GEBDRO CC(C)[C@H]([NH3+])CCNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000595946348 532579673 /nfs/dbraw/zinc/57/96/73/532579673.db2.gz BXAAIFBNCXXTMT-GFCCVEGCSA-N 1 0 391.209 2.303 20 5 GEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000375749693 532580717 /nfs/dbraw/zinc/58/07/17/532580717.db2.gz HGZMUKLTIUUFTF-AWEZNQCLSA-N 1 0 381.479 2.457 20 5 GEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC1(N2CCOCC2)CC1 ZINC000284517021 532597554 /nfs/dbraw/zinc/59/75/54/532597554.db2.gz BGAJFSQAUASBDI-UHFFFAOYSA-N 1 0 398.257 2.260 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000377133323 532645362 /nfs/dbraw/zinc/64/53/62/532645362.db2.gz ZUPDSESHZCZSIL-SNVBAGLBSA-N 1 0 377.825 2.246 20 5 GEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC000599573743 532666597 /nfs/dbraw/zinc/66/65/97/532666597.db2.gz WSQNKSQNZKYJJU-INIZCTEOSA-N 1 0 395.257 2.063 20 5 GEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000567366778 532652467 /nfs/dbraw/zinc/65/24/67/532652467.db2.gz JXBWQRHCGPRPJP-RISCZKNCSA-N 1 0 382.463 2.068 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H]2c2cccc(Br)c2)c1 ZINC000378642537 532699777 /nfs/dbraw/zinc/69/97/77/532699777.db2.gz GKIMILLMEVHIPS-GJZGRUSLSA-N 1 0 381.230 2.362 20 5 GEBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000378320576 532690651 /nfs/dbraw/zinc/69/06/51/532690651.db2.gz UZHBRNGIIROANE-DOMZBBRYSA-N 1 0 398.305 2.215 20 5 GEBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000266197408 532706356 /nfs/dbraw/zinc/70/63/56/532706356.db2.gz IIHIFSIRQZYJBV-NSHDSACASA-N 1 0 377.413 2.369 20 5 GEBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440083442 532707157 /nfs/dbraw/zinc/70/71/57/532707157.db2.gz WPDODLGFYCBFPP-SNVBAGLBSA-N 1 0 394.291 2.366 20 5 GEBDRO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000440339642 532710021 /nfs/dbraw/zinc/71/00/21/532710021.db2.gz KPWQFWBLPJMLIU-VHSXEESVSA-N 1 0 381.376 2.280 20 5 GEBDRO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000440345710 532710879 /nfs/dbraw/zinc/71/08/79/532710879.db2.gz SLGQEECTDVDQKF-NXEZZACHSA-N 1 0 392.275 2.024 20 5 GEBDRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440412244 532713110 /nfs/dbraw/zinc/71/31/10/532713110.db2.gz KDCJYUHLHIVVGW-CYBMUJFWSA-N 1 0 394.291 2.399 20 5 GEBDRO C[N@@H+](Cc1ccc(Br)c(F)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000494293643 532716236 /nfs/dbraw/zinc/71/62/36/532716236.db2.gz RBMAQTCLWQAEHS-GFCCVEGCSA-N 1 0 387.209 2.186 20 5 GEBDRO CO[C@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000440860899 532723082 /nfs/dbraw/zinc/72/30/82/532723082.db2.gz PQIRVVNSIOHZNU-ZJUUUORDSA-N 1 0 398.268 2.028 20 5 GEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000286127154 532730248 /nfs/dbraw/zinc/73/02/48/532730248.db2.gz WDHHYRLXQBXSAB-SKDRFNHKSA-N 1 0 379.841 2.348 20 5 GEBDRO O=C(C[NH2+][C@H]1CCC[C@H]1CCO)Nc1ccc([N+](=O)[O-])cc1Br ZINC000502856014 532742011 /nfs/dbraw/zinc/74/20/11/532742011.db2.gz NKTCMGXDQGKOAI-GWCFXTLKSA-N 1 0 386.246 2.437 20 5 GEBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)s1 ZINC000443343539 532745862 /nfs/dbraw/zinc/74/58/62/532745862.db2.gz PKZZZZUEJMDDBX-PSASIEDQSA-N 1 0 375.248 2.327 20 5 GEBDRO CC[NH+]1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000414369097 532823093 /nfs/dbraw/zinc/82/30/93/532823093.db2.gz HZYIPFWLDHCZKU-UHFFFAOYSA-N 1 0 381.376 2.376 20 5 GEBDRO CO[C@@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000415704598 532854221 /nfs/dbraw/zinc/85/42/21/532854221.db2.gz SILRCNUQRXNSEK-CHWSQXEVSA-N 1 0 387.234 2.327 20 5 GEBDRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289424146 532854696 /nfs/dbraw/zinc/85/46/96/532854696.db2.gz CXOTVOMYRRUSSZ-DCXZOGHSSA-N 1 0 382.223 2.056 20 5 GEBDRO CC1(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)OCCO1 ZINC000289524247 532857601 /nfs/dbraw/zinc/85/76/01/532857601.db2.gz NZPWEZBOAAMNPF-UHFFFAOYSA-N 1 0 378.166 2.052 20 5 GEBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291938429 532911001 /nfs/dbraw/zinc/91/10/01/532911001.db2.gz NBKLQVKQZGTQGM-UHFFFAOYSA-N 1 0 376.240 2.478 20 5 GEBDRO O=C(CN1CC[NH+]([C@H]2CCSC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000365890105 532912901 /nfs/dbraw/zinc/91/29/01/532912901.db2.gz HMBSFAPFFCOIPZ-ZDUSSCGKSA-N 1 0 384.889 2.310 20 5 GEBDRO C[C@H](CCCC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000293440354 532926824 /nfs/dbraw/zinc/92/68/24/532926824.db2.gz OVXPLODWWSDHCE-SECBINFHSA-N 1 0 391.209 2.447 20 5 GEBDRO C[NH+](C)CCCOc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1 ZINC000736767583 598674248 /nfs/dbraw/zinc/67/42/48/598674248.db2.gz RGLCWYFBOSFYEJ-UHFFFAOYSA-N 1 0 398.427 2.113 20 5 GEBDRO COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)[NH+](C)C)c1 ZINC000826214243 607448886 /nfs/dbraw/zinc/44/88/86/607448886.db2.gz FXKAJKIJEZNEGJ-QGZVFWFLSA-N 1 0 383.412 2.498 20 5 GEBDRO C[C@H]1C[NH+](C(C)(C)CNc2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)C[C@H](C)O1 ZINC000824976842 607450174 /nfs/dbraw/zinc/45/01/74/607450174.db2.gz PBQCVWVXFZUTDL-RYUDHWBXSA-N 1 0 375.433 2.075 20 5 GEBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826500234 607524807 /nfs/dbraw/zinc/52/48/07/607524807.db2.gz PKICYYFLKZIFJO-SFHVURJKSA-N 1 0 380.408 2.473 20 5 GEBDRO C[C@H]1C[C@@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000820667427 606719336 /nfs/dbraw/zinc/71/93/36/606719336.db2.gz MFQXYXWCUXYODM-GXTWGEPZSA-N 1 0 380.412 2.245 20 5 GEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000820226411 606994817 /nfs/dbraw/zinc/99/48/17/606994817.db2.gz VJZJHWNMLABPGY-GFCCVEGCSA-N 1 0 381.396 2.282 20 5 GEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826293092 608464455 /nfs/dbraw/zinc/46/44/55/608464455.db2.gz AOXHTXMYCNNMEU-GFCCVEGCSA-N 1 0 381.396 2.373 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000447250894 650003696 /nfs/dbraw/zinc/00/36/96/650003696.db2.gz XHOWZCVZNQWLGG-VHSXEESVSA-N 1 0 392.275 2.024 20 5 GEBDRO COc1ccc(C[NH2+]CCn2cc(Br)ccc2=O)cc1[N+](=O)[O-] ZINC000449372813 650039160 /nfs/dbraw/zinc/03/91/60/650039160.db2.gz AQOSSASBSPLDPK-UHFFFAOYSA-N 1 0 382.214 2.317 20 5 GEBDRO COc1cc(C[NH2+]CCn2cc(Br)ccc2=O)c([N+](=O)[O-])cc1O ZINC000449373458 650039194 /nfs/dbraw/zinc/03/91/94/650039194.db2.gz BYKGNDHBOPNJDO-UHFFFAOYSA-N 1 0 398.213 2.023 20 5 GEBDRO COC[C@@](C)(O)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449383287 650039373 /nfs/dbraw/zinc/03/93/73/650039373.db2.gz GGGNLHIWJWSGSH-ZDUSSCGKSA-N 1 0 394.209 2.077 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CCC[C@H]2CO)c1 ZINC000449713028 650047151 /nfs/dbraw/zinc/04/71/51/650047151.db2.gz VOEOSHFTQILXAH-GWCFXTLKSA-N 1 0 376.194 2.450 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@H](O)C2CCC2)c1 ZINC000449739993 650048300 /nfs/dbraw/zinc/04/83/00/650048300.db2.gz NGJCNBCNCVXVCB-ZDUSSCGKSA-N 1 0 376.194 2.450 20 5 GEBDRO C[N@@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1(C)C ZINC000514612098 650575087 /nfs/dbraw/zinc/57/50/87/650575087.db2.gz JOIJZLZYFVDVLV-UHFFFAOYSA-N 1 0 385.262 2.322 20 5 GEBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000480680834 650627865 /nfs/dbraw/zinc/62/78/65/650627865.db2.gz YORUXSWMLNFSAM-JTQLQIEISA-N 1 0 394.291 2.366 20 5 GEBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000040452333 642524161 /nfs/dbraw/zinc/52/41/61/642524161.db2.gz KNFUMVOGEBTECC-SECBINFHSA-N 1 0 389.193 2.023 20 5 GEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000537941292 650826107 /nfs/dbraw/zinc/82/61/07/650826107.db2.gz NQRHSBDXNQDVMW-ZIAGYGMSSA-N 1 0 387.527 2.479 20 5 GEBDRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000119603381 643560199 /nfs/dbraw/zinc/56/01/99/643560199.db2.gz WXNAFCDTIAUCQK-UHFFFAOYSA-N 1 0 385.467 2.075 20 5 GEBDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000123462070 643671715 /nfs/dbraw/zinc/67/17/15/643671715.db2.gz QJKBUVLOKQMYIX-UHFFFAOYSA-N 1 0 394.291 2.318 20 5 GEBDRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000124322164 643684718 /nfs/dbraw/zinc/68/47/18/643684718.db2.gz LFYDQIAELANTOV-ZJUUUORDSA-N 1 0 392.275 2.105 20 5 GEBDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)[C@@H]1C[NH3+] ZINC000124379602 643685809 /nfs/dbraw/zinc/68/58/09/643685809.db2.gz UYKDFECZUVNVFW-NOZJJQNGSA-N 1 0 392.275 2.105 20 5 GEBDRO C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000499155844 650875191 /nfs/dbraw/zinc/87/51/91/650875191.db2.gz JQSYPHKXYVZWTP-SECBINFHSA-N 1 0 399.274 2.447 20 5 GEBDRO C[NH+](C)CCn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000151381237 643941310 /nfs/dbraw/zinc/94/13/10/643941310.db2.gz WTIKHFZHCAQKLL-UHFFFAOYSA-N 1 0 382.218 2.368 20 5 GEBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000178933795 644445309 /nfs/dbraw/zinc/44/53/09/644445309.db2.gz XJUABSHGKQYHKC-NSHDSACASA-N 1 0 392.275 2.120 20 5 GEBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000178934932 644446157 /nfs/dbraw/zinc/44/61/57/644446157.db2.gz AUSLWFLHWMRDFZ-NSHDSACASA-N 1 0 392.275 2.120 20 5 GEBDRO CN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000181992913 644954733 /nfs/dbraw/zinc/95/47/33/644954733.db2.gz AQFLILFLFFWYLE-UHFFFAOYSA-N 1 0 391.209 2.223 20 5 GEBDRO COc1cc(C[NH2+][C@@H](C)C[S@](C)=O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000184257084 645013926 /nfs/dbraw/zinc/01/39/26/645013926.db2.gz BBCQZLYGNYOXST-USOBGDSLSA-N 1 0 384.376 2.401 20 5 GEBDRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000237428180 645431836 /nfs/dbraw/zinc/43/18/36/645431836.db2.gz PYKUWMWNXUEEKC-UWVGGRQHSA-N 1 0 381.376 2.362 20 5 GEBDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)[C@H]1C[NH3+] ZINC000246960798 645499652 /nfs/dbraw/zinc/49/96/52/645499652.db2.gz UYKDFECZUVNVFW-RNCFNFMXSA-N 1 0 392.275 2.105 20 5 GEBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000264598785 645694734 /nfs/dbraw/zinc/69/47/34/645694734.db2.gz CSOBMZNGHJRUIR-LLVKDONJSA-N 1 0 392.275 2.072 20 5 GEBDRO COc1cc(C[NH2+]CCSCCCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272362029 646269713 /nfs/dbraw/zinc/26/97/13/646269713.db2.gz FNUBSGDTYDRTQK-UHFFFAOYSA-N 1 0 380.413 2.453 20 5 GEBDRO Cc1c(Br)cc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000285989842 646863789 /nfs/dbraw/zinc/86/37/89/646863789.db2.gz YHTFPYTZQFRPRU-GJZGRUSLSA-N 1 0 398.257 2.211 20 5 GEBDRO C[NH+](C)CCn1nccc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000297841502 647266276 /nfs/dbraw/zinc/26/62/76/647266276.db2.gz RIFLNIWCYJOFNL-UHFFFAOYSA-N 1 0 382.218 2.368 20 5 GEBDRO C[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362660075 647570854 /nfs/dbraw/zinc/57/08/54/647570854.db2.gz UUHKFVYEHSVOQH-JSGCOSHPSA-N 1 0 398.305 2.215 20 5 GEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2[C@H](C1)C[N@@H+]1CCCC[C@@H]21 ZINC000363258318 647589025 /nfs/dbraw/zinc/58/90/25/647589025.db2.gz FOOLMHVTUAQNFT-UBHSHLNASA-N 1 0 385.873 2.353 20 5 GEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365542357 647675451 /nfs/dbraw/zinc/67/54/51/647675451.db2.gz ZBPPEZMYXJXDTP-SCRDCRAPSA-N 1 0 385.873 2.353 20 5 GEBDRO C[N@H+]1CC=C(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000416460917 648131922 /nfs/dbraw/zinc/13/19/22/648131922.db2.gz WUHXZZYLJDBAAH-UHFFFAOYSA-N 1 0 379.360 2.154 20 5 GEBDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416463576 648133111 /nfs/dbraw/zinc/13/31/11/648133111.db2.gz CXTGACUJXJRQHM-UHFFFAOYSA-N 1 0 381.376 2.328 20 5 GEBDRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000420471214 648419198 /nfs/dbraw/zinc/41/91/98/648419198.db2.gz YDBVSVWYPSUKNX-GFCCVEGCSA-N 1 0 392.275 2.024 20 5 GEBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC(F)(F)C1 ZINC000420973115 648460613 /nfs/dbraw/zinc/46/06/13/648460613.db2.gz MBJNINSBVNCGRV-GFCCVEGCSA-N 1 0 377.413 2.240 20 5 GEBDRO C[NH2+]C1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000563100915 651510149 /nfs/dbraw/zinc/51/01/49/651510149.db2.gz IVJCKFJAVPCCNN-UHFFFAOYSA-N 1 0 389.193 2.023 20 5 GEBDRO [NH3+][C@@H]1CCC[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000566223585 651604135 /nfs/dbraw/zinc/60/41/35/651604135.db2.gz RKRSZHIYGYCQKJ-MWLCHTKSSA-N 1 0 381.376 2.409 20 5 GEBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000609158350 651611799 /nfs/dbraw/zinc/61/17/99/651611799.db2.gz VAXFMNVZQDFAPP-JTQLQIEISA-N 1 0 394.291 2.366 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)c1 ZINC000567582972 651627624 /nfs/dbraw/zinc/62/76/24/651627624.db2.gz IUNHFIGBQSYYDX-AWEZNQCLSA-N 1 0 394.229 2.186 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C/C=C\c2ccc(Br)cc2)c1 ZINC000571790884 651854157 /nfs/dbraw/zinc/85/41/57/651854157.db2.gz GLJWDVZHTKTDGQ-DJYNDVHFSA-N 1 0 381.230 2.218 20 5 GEBDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[N@@H+]1C ZINC000742308940 651977982 /nfs/dbraw/zinc/97/79/82/651977982.db2.gz MNUBXNDIPXVMAX-VHSXEESVSA-N 1 0 392.275 2.118 20 5 GEBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[N@@H+]1C ZINC000742308938 651978244 /nfs/dbraw/zinc/97/82/44/651978244.db2.gz MNUBXNDIPXVMAX-NXEZZACHSA-N 1 0 392.275 2.118 20 5 GEBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[N@@H+]1C ZINC000742309058 651978270 /nfs/dbraw/zinc/97/82/70/651978270.db2.gz KHXKXOVNRPQLEP-ZJUUUORDSA-N 1 0 392.275 2.118 20 5 GEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Br)C[C@H]21 ZINC000576822838 652145953 /nfs/dbraw/zinc/14/59/53/652145953.db2.gz COIGAPGKRLVOGI-MPKXVKKWSA-N 1 0 397.273 2.355 20 5 GEBDRO C[NH+](C)CCn1nccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000577017381 652162655 /nfs/dbraw/zinc/16/26/55/652162655.db2.gz IPLWZTAOQCLDGO-UHFFFAOYSA-N 1 0 396.245 2.297 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000757675985 652520293 /nfs/dbraw/zinc/52/02/93/652520293.db2.gz QCNPSCBVLUJWCB-QLFBSQMISA-N 1 0 388.536 2.338 20 5 GEBDRO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H](O)C1CC1 ZINC000589255295 652563754 /nfs/dbraw/zinc/56/37/54/652563754.db2.gz MOOAVYHCTPAHNJ-ZDUSSCGKSA-N 1 0 376.194 2.402 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC2(CO)CCC2)c1 ZINC000589316887 652565692 /nfs/dbraw/zinc/56/56/92/652565692.db2.gz RULXSIYMNNFONW-UHFFFAOYSA-N 1 0 376.194 2.452 20 5 GEBDRO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1I)[NH+](C)C ZINC000597990940 652795345 /nfs/dbraw/zinc/79/53/45/652795345.db2.gz BFNZAIPOTQNYQY-VIFPVBQESA-N 1 0 391.209 2.269 20 5 GEBDRO CC[NH+](CC)CC(=O)N1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000765488426 652840772 /nfs/dbraw/zinc/84/07/72/652840772.db2.gz GOAYLWBOBJKFIR-UHFFFAOYSA-N 1 0 399.289 2.348 20 5 GEBDRO CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000599098781 652849172 /nfs/dbraw/zinc/84/91/72/652849172.db2.gz AVGXYJUQCJYBFM-GFCCVEGCSA-N 1 0 381.376 2.232 20 5 GEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1CC(N2CCOCC2)C1 ZINC000600065983 652901934 /nfs/dbraw/zinc/90/19/34/652901934.db2.gz DTRLPPOECCXYQL-UHFFFAOYSA-N 1 0 398.257 2.259 20 5 GEBDRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)O1 ZINC000602584145 653192118 /nfs/dbraw/zinc/19/21/18/653192118.db2.gz WUKXQVUDJYMARF-KCJUWKMLSA-N 1 0 392.275 2.144 20 5 GEBDRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602621284 653195172 /nfs/dbraw/zinc/19/51/72/653195172.db2.gz CPVAHKFPYWJBSP-NEPJUHHUSA-N 1 0 395.275 2.329 20 5 GEBDRO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000809808690 653297348 /nfs/dbraw/zinc/29/73/48/653297348.db2.gz DQAPEXVLSDZKBH-RYUDHWBXSA-N 1 0 377.825 2.292 20 5 GEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000700967846 653318628 /nfs/dbraw/zinc/31/86/28/653318628.db2.gz VGRZQLUSMIVTOF-IUCAKERBSA-N 1 0 389.193 2.057 20 5 GEBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000700967844 653318672 /nfs/dbraw/zinc/31/86/72/653318672.db2.gz VGRZQLUSMIVTOF-BDAKNGLRSA-N 1 0 389.193 2.057 20 5 GEBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1I)[C@H](C[NH3+])C1CC1 ZINC000701035180 653319033 /nfs/dbraw/zinc/31/90/33/653319033.db2.gz UEAHNGLVNLMONS-GFCCVEGCSA-N 1 0 389.193 2.009 20 5 GEBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C[C@@H]1[NH3+] ZINC000700982583 653319069 /nfs/dbraw/zinc/31/90/69/653319069.db2.gz LXANUUKGADWRIP-PELKAZGASA-N 1 0 389.193 2.009 20 5 GEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000701035686 653319077 /nfs/dbraw/zinc/31/90/77/653319077.db2.gz YVLAZERMEWPAEP-BDAKNGLRSA-N 1 0 389.193 2.009 20 5 GEBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000701025034 653319166 /nfs/dbraw/zinc/31/91/66/653319166.db2.gz HUMJOIMMPARUDJ-ZDUSSCGKSA-N 1 0 389.193 2.010 20 5 GEBDRO Cn1nccc1CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000810153532 653328441 /nfs/dbraw/zinc/32/84/41/653328441.db2.gz ZGSQBVWWORAPGZ-UHFFFAOYSA-N 1 0 386.193 2.265 20 5 GEBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)[NH+]1CCCC1 ZINC000780704699 653630953 /nfs/dbraw/zinc/63/09/53/653630953.db2.gz QZQOUWLNBBPQPO-SNVBAGLBSA-N 1 0 392.275 2.120 20 5 GEBDRO C[C@H](CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000780703964 653631086 /nfs/dbraw/zinc/63/10/86/653631086.db2.gz ITSIHOISIMVILW-SNVBAGLBSA-N 1 0 392.275 2.120 20 5 GEBDRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000780865727 653633801 /nfs/dbraw/zinc/63/38/01/653633801.db2.gz CCSIDDZLFLUSJJ-SNVBAGLBSA-N 1 0 392.275 2.120 20 5 GEBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000815009727 653642967 /nfs/dbraw/zinc/64/29/67/653642967.db2.gz BOSRFPHPLMNOBF-JTQLQIEISA-N 1 0 377.825 2.246 20 5 GEBDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000815018573 653643939 /nfs/dbraw/zinc/64/39/39/653643939.db2.gz UGHXGZUQQSFILI-NXEZZACHSA-N 1 0 379.841 2.491 20 5 GEBDRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815024024 653645135 /nfs/dbraw/zinc/64/51/35/653645135.db2.gz PFWVMOHWWRYZGP-SNVBAGLBSA-N 1 0 397.856 2.022 20 5 GEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815028133 653645676 /nfs/dbraw/zinc/64/56/76/653645676.db2.gz RMJSBHYEBKHOCE-GXFFZTMASA-N 1 0 391.852 2.492 20 5 GEBDRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815040247 653647418 /nfs/dbraw/zinc/64/74/18/653647418.db2.gz BPJVFZMLDKDBSG-UHFFFAOYSA-N 1 0 379.841 2.494 20 5 GEBDRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])C2)C1 ZINC000815065972 653649205 /nfs/dbraw/zinc/64/92/05/653649205.db2.gz UHKYRNSORCJQNX-OAHLLOKOSA-N 1 0 391.852 2.494 20 5 GEBDRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)C2)C1 ZINC000815064888 653649228 /nfs/dbraw/zinc/64/92/28/653649228.db2.gz KKHVPEPMAALACR-HNNXBMFYSA-N 1 0 391.852 2.494 20 5 GEBDRO COC(=O)[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000839631230 653658505 /nfs/dbraw/zinc/65/85/05/653658505.db2.gz WFAWWGCZKPBDRB-LLVKDONJSA-N 1 0 376.240 2.438 20 5 GEBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cc([N+](=O)[O-])ncc1Br ZINC000863031615 653700686 /nfs/dbraw/zinc/70/06/86/653700686.db2.gz IPKQFWHETYSAKG-NSHDSACASA-N 1 0 383.246 2.499 20 5 GEBDRO [NH3+]C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(I)c1)C1CC1 ZINC000841235043 653711732 /nfs/dbraw/zinc/71/17/32/653711732.db2.gz VGFFNDBJNYAKAF-JTQLQIEISA-N 1 0 390.181 2.058 20 5 GEBDRO [NH3+]C[C@H](NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1CC1 ZINC000841946124 653742703 /nfs/dbraw/zinc/74/27/03/653742703.db2.gz GVXGHNZANJXODD-ZDUSSCGKSA-N 1 0 383.246 2.162 20 5 GEBDRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000842482628 653758006 /nfs/dbraw/zinc/75/80/06/653758006.db2.gz CWVNRZRQWSPFAL-GFCCVEGCSA-N 1 0 392.275 2.024 20 5 GEBDRO CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000842483649 653758031 /nfs/dbraw/zinc/75/80/31/653758031.db2.gz OENAFDQRMHCCCE-NSHDSACASA-N 1 0 380.264 2.009 20 5 GEBDRO C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@H]1CCC[NH2+]C1 ZINC000842699122 653763450 /nfs/dbraw/zinc/76/34/50/653763450.db2.gz ISBBQGOLQLXZBK-UWVGGRQHSA-N 1 0 392.275 2.024 20 5 GEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000842726975 653764932 /nfs/dbraw/zinc/76/49/32/653764932.db2.gz SKDWWTKWOORJBN-NXEZZACHSA-N 1 0 392.275 2.105 20 5 GEBDRO C[C@@]1(CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000842827326 653770044 /nfs/dbraw/zinc/77/00/44/653770044.db2.gz SMNFGVXSMOTKCQ-CYBMUJFWSA-N 1 0 392.275 2.025 20 5 GEBDRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000842869705 653771146 /nfs/dbraw/zinc/77/11/46/653771146.db2.gz PAIOXGOESKXBTH-VIFPVBQESA-N 1 0 380.264 2.153 20 5 GEBDRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842869301 653771163 /nfs/dbraw/zinc/77/11/63/653771163.db2.gz IZILEIDIHBEJMK-VIFPVBQESA-N 1 0 380.264 2.153 20 5 GEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000866541128 653801330 /nfs/dbraw/zinc/80/13/30/653801330.db2.gz WTDVVFIBIJVFEZ-YGRLFVJLSA-N 1 0 382.258 2.499 20 5 GEBDRO CC[NH+](CC)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000844509477 653807616 /nfs/dbraw/zinc/80/76/16/653807616.db2.gz WOAMALXISRCDTB-CHWSQXEVSA-N 1 0 385.262 2.184 20 5 GEBDRO C[C@@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000882821060 653812071 /nfs/dbraw/zinc/81/20/71/653812071.db2.gz KCJHIHYGJWUQJF-LLVKDONJSA-N 1 0 382.467 2.170 20 5 GEBDRO Cc1c(Br)cc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000896553784 653884918 /nfs/dbraw/zinc/88/49/18/653884918.db2.gz VHCXJBQEPHKMQN-NHYWBVRUSA-N 1 0 399.289 2.030 20 5 GEBDRO Cc1c(Br)cc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000896553782 653885062 /nfs/dbraw/zinc/88/50/62/653885062.db2.gz VHCXJBQEPHKMQN-ABAIWWIYSA-N 1 0 399.289 2.030 20 5 GEBDRO CN(CC(=O)NCCC[NH+]1CCCC1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000794819592 653921334 /nfs/dbraw/zinc/92/13/34/653921334.db2.gz WIQCMESLISIFPK-UHFFFAOYSA-N 1 0 399.289 2.396 20 5 GEBDRO O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000897977436 653947059 /nfs/dbraw/zinc/94/70/59/653947059.db2.gz HFLDKRBSCPYBMX-AWEZNQCLSA-N 1 0 391.225 2.448 20 5 GEBDRO Cc1cc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)c([N+](=O)[O-])s1 ZINC000885848320 653959642 /nfs/dbraw/zinc/95/96/42/653959642.db2.gz RJUVZRNICHRXFQ-LLVKDONJSA-N 1 0 382.467 2.259 20 5 GEBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C12CCC2 ZINC000898832970 653987664 /nfs/dbraw/zinc/98/76/64/653987664.db2.gz YWKPKTJKCJICJN-NEPJUHHUSA-N 1 0 383.246 2.355 20 5 GEBDRO CN(CC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796455406 653998339 /nfs/dbraw/zinc/99/83/39/653998339.db2.gz WZIULXSVSSMHFY-LBPRGKRZSA-N 1 0 399.289 2.204 20 5 GEBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000827597538 653999103 /nfs/dbraw/zinc/99/91/03/653999103.db2.gz CWRSHOCPEZCGIY-IYBDPMFKSA-N 1 0 397.273 2.353 20 5 GEBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1I)[NH+](C)C ZINC000829320483 654064921 /nfs/dbraw/zinc/06/49/21/654064921.db2.gz ROYXHYNPYUKUEB-SECBINFHSA-N 1 0 391.209 2.269 20 5 GEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850491171 654079073 /nfs/dbraw/zinc/07/90/73/654079073.db2.gz MILHNTMHZGEHGC-UXMMLNGASA-N 1 0 381.376 2.213 20 5 GEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)C1CC1 ZINC000850519448 654081182 /nfs/dbraw/zinc/08/11/82/654081182.db2.gz MTCDASMXCMWESB-ZDUSSCGKSA-N 1 0 380.388 2.483 20 5 GEBDRO C[NH+](C)CCn1nnnc1SCc1cc([N+](=O)[O-])ccc1Br ZINC000916674752 654104534 /nfs/dbraw/zinc/10/45/34/654104534.db2.gz MUIYMCPGPRCBSQ-UHFFFAOYSA-N 1 0 387.263 2.198 20 5 GEBDRO C[C@@H]1CN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000802979422 654253614 /nfs/dbraw/zinc/25/36/14/654253614.db2.gz YNCKWLBUPWCJOS-NEPJUHHUSA-N 1 0 399.289 2.345 20 5 GEBDRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000903573768 654259171 /nfs/dbraw/zinc/25/91/71/654259171.db2.gz IQWFLXMFFPTLAY-NSHDSACASA-N 1 0 381.376 2.376 20 5 GEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCC1(F)F ZINC000891758243 654309721 /nfs/dbraw/zinc/30/97/21/654309721.db2.gz PYDPNBUNBZMROP-LLVKDONJSA-N 1 0 376.791 2.335 20 5 GEBDRO COC(OC)[C@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000922312664 654382647 /nfs/dbraw/zinc/38/26/47/654382647.db2.gz GNMVFIVILMHYOT-QMMMGPOBSA-N 1 0 380.182 2.296 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCO[C@@H]2CCOC2)c1 ZINC000922936903 654420937 /nfs/dbraw/zinc/42/09/37/654420937.db2.gz QKCJIZGLUHERDW-CYBMUJFWSA-N 1 0 392.193 2.095 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923711995 654480315 /nfs/dbraw/zinc/48/03/15/654480315.db2.gz CZCUXVJKYZTPJQ-DTWKUNHWSA-N 1 0 380.253 2.132 20 5 GEBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2cccc(Br)c2[N+](=O)[O-])C1 ZINC000856728093 654487026 /nfs/dbraw/zinc/48/70/26/654487026.db2.gz JOHRWDGAHPPYAW-NSHDSACASA-N 1 0 385.262 2.357 20 5 GEBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856738105 654488944 /nfs/dbraw/zinc/48/89/44/654488944.db2.gz SFAKNXRBEIEWDB-AWEZNQCLSA-N 1 0 397.273 2.276 20 5 GEBDRO O=C1NC[C@H](O)CC12CC[NH+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC2 ZINC000932835506 654793029 /nfs/dbraw/zinc/79/30/29/654793029.db2.gz MHWGZXVPUHBUMN-GFCCVEGCSA-N 1 0 388.251 2.365 20 5 GEBDRO C[C@](CO)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(Br)c1 ZINC000934496518 654850952 /nfs/dbraw/zinc/85/09/52/654850952.db2.gz LJVSDAPGFOOBLF-MRXNPFEDSA-N 1 0 396.241 2.016 20 5 GEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC1 ZINC000935652400 654908193 /nfs/dbraw/zinc/90/81/93/654908193.db2.gz OZHSLVFQWFETBM-LLVKDONJSA-N 1 0 385.262 2.496 20 5 GEBDRO COC(=O)c1ccnc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164726557 720396279 /nfs/dbraw/zinc/39/62/79/720396279.db2.gz PNAWBUYDJHNMEA-HOTGVXAUSA-N 1 0 383.408 2.025 20 5 GEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)n1 ZINC001164731239 720507727 /nfs/dbraw/zinc/50/77/27/720507727.db2.gz ONAXCHMEVNUAPA-SNVBAGLBSA-N 1 0 397.892 2.155 20 5 GEBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])C1 ZINC001164731228 720510177 /nfs/dbraw/zinc/51/01/77/720510177.db2.gz OJLBCPLAXYBGCH-VIFPVBQESA-N 1 0 386.243 2.086 20 5 GEBDRO O=[N+]([O-])c1ccc2ncc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nc2c1 ZINC001164733049 720553119 /nfs/dbraw/zinc/55/31/19/720553119.db2.gz IQIJGXQDRWURFJ-UHFFFAOYSA-N 1 0 393.451 2.393 20 5 GEBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164746379 720746778 /nfs/dbraw/zinc/74/67/78/720746778.db2.gz XSNDYZLFGXYOEY-DLBZAZTESA-N 1 0 392.419 2.275 20 5 GEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164751929 720803714 /nfs/dbraw/zinc/80/37/14/720803714.db2.gz YDFUYZZAGUPLKR-SJORKVTESA-N 1 0 392.419 2.275 20 5 GEBDRO COc1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)ncc1[N+](=O)[O-] ZINC001164856762 720919595 /nfs/dbraw/zinc/91/95/95/720919595.db2.gz KTIFGRNOXIJTFO-LBPRGKRZSA-N 1 0 375.433 2.011 20 5 GEBDRO COc1cc(C)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164864043 721080071 /nfs/dbraw/zinc/08/00/71/721080071.db2.gz DQLQMKIEWXHFJA-IRXDYDNUSA-N 1 0 399.451 2.182 20 5 GEBDRO COc1cc(C)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164864041 721081044 /nfs/dbraw/zinc/08/10/44/721081044.db2.gz DQLQMKIEWXHFJA-IAGOWNOFSA-N 1 0 399.451 2.182 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(Cl)ncc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164761588 721090245 /nfs/dbraw/zinc/09/02/45/721090245.db2.gz CAZFBSAKTFYWKA-UONOGXRCSA-N 1 0 376.848 2.335 20 5 GEBDRO Cc1c(C)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164864085 721099592 /nfs/dbraw/zinc/09/95/92/721099592.db2.gz DZLGFSDOCCKTIE-QZTJIDSGSA-N 1 0 383.452 2.481 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(Cl)cc([N+](=O)[O-])n4)C[C@H]3C2)cn1 ZINC001164761712 721110378 /nfs/dbraw/zinc/11/03/78/721110378.db2.gz APLHYQJOQFLDSU-UONOGXRCSA-N 1 0 376.848 2.335 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5cc([N+](=O)[O-])ccc54)C[C@@H]3C2)cn1 ZINC001164773734 721119103 /nfs/dbraw/zinc/11/91/03/721119103.db2.gz YVLOBFFTCLBYMS-CVEARBPZSA-N 1 0 393.451 2.230 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc([N+](=O)[O-])c5cc[nH]c5n4)C[C@H]3C2)cn1 ZINC001164771832 721169820 /nfs/dbraw/zinc/16/98/20/721169820.db2.gz RCESHAQWMWMFDE-HUUCEWRRSA-N 1 0 381.440 2.163 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5cccc([N+](=O)[O-])c54)C[C@@H]3C2)cn1 ZINC001164763867 721232217 /nfs/dbraw/zinc/23/22/17/721232217.db2.gz NJLKGRYFRGSNJR-HOTGVXAUSA-N 1 0 393.451 2.230 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5cccc([N+](=O)[O-])c54)C[C@H]3C2)cn1 ZINC001164763869 721232831 /nfs/dbraw/zinc/23/28/31/721232831.db2.gz NJLKGRYFRGSNJR-JKSUJKDBSA-N 1 0 393.451 2.230 20 5 GEBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164906377 721543379 /nfs/dbraw/zinc/54/33/79/721543379.db2.gz KHIUHQDZXBOJAX-DOTOQJQBSA-N 1 0 388.399 2.018 20 5 GEBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164906379 721543593 /nfs/dbraw/zinc/54/35/93/721543593.db2.gz KHIUHQDZXBOJAX-RDJZCZTQSA-N 1 0 388.399 2.018 20 5 GEBDRO Cc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164977275 722100959 /nfs/dbraw/zinc/10/09/59/722100959.db2.gz FQBUPWSUFYULQE-HKUYNNGSSA-N 1 0 383.452 2.421 20 5 GEBDRO Cc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164984094 722101614 /nfs/dbraw/zinc/10/16/14/722101614.db2.gz RRQYNQMAVRZHJQ-HKUYNNGSSA-N 1 0 383.452 2.421 20 5 GEBDRO COc1ccc(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000158358006 531775187 /nfs/dbraw/zinc/77/51/87/531775187.db2.gz KHBPZPIAYHMUEU-UHFFFAOYSA-N 1 0 385.467 2.075 20 5 GEBDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163294441 531854350 /nfs/dbraw/zinc/85/43/50/531854350.db2.gz VNIAPCDXBIFWIY-UHFFFAOYSA-N 1 0 381.376 2.330 20 5 GEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000162701699 531848077 /nfs/dbraw/zinc/84/80/77/531848077.db2.gz RHUOGJRHIPIMSV-UHFFFAOYSA-N 1 0 387.820 2.455 20 5 GEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 ZINC000069876193 531913469 /nfs/dbraw/zinc/91/34/69/531913469.db2.gz QPGBLGLLBAIHNO-UHFFFAOYSA-N 1 0 381.376 2.246 20 5 GEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000120613033 531986293 /nfs/dbraw/zinc/98/62/93/531986293.db2.gz YZHQAMYSSHURBB-ZDUSSCGKSA-N 1 0 386.246 2.198 20 5 GEBDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000123482583 532100095 /nfs/dbraw/zinc/10/00/95/532100095.db2.gz WKARLASAUIFNDZ-UHFFFAOYSA-N 1 0 394.291 2.318 20 5 GEBDRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000178925571 532217452 /nfs/dbraw/zinc/21/74/52/532217452.db2.gz VLMRJPKGKWISIH-SECBINFHSA-N 1 0 381.376 2.362 20 5 GEBDRO CC(C)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1Br ZINC000181524025 532300230 /nfs/dbraw/zinc/30/02/30/532300230.db2.gz QEZQCFQZRQUZPI-LBPRGKRZSA-N 1 0 383.246 2.440 20 5 GEBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000151033260 532306309 /nfs/dbraw/zinc/30/63/09/532306309.db2.gz FXVKDWKBYXFFSL-SECBINFHSA-N 1 0 389.193 2.023 20 5 GEBDRO C[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000182968015 532320277 /nfs/dbraw/zinc/32/02/77/532320277.db2.gz MFTQXBFESVJZNQ-LBPRGKRZSA-N 1 0 386.905 2.092 20 5 GEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000516048679 532376296 /nfs/dbraw/zinc/37/62/96/532376296.db2.gz VQEUEHBFEAMZJH-NSHDSACASA-N 1 0 391.209 2.303 20 5 GEBDRO CC1(C)C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000591678175 532420483 /nfs/dbraw/zinc/42/04/83/532420483.db2.gz LTYUFLOBRMXEIB-UHFFFAOYSA-N 1 0 389.193 2.023 20 5 GEBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000373173283 532437030 /nfs/dbraw/zinc/43/70/30/532437030.db2.gz NHTPJCCRKGHBOS-JGPRNRPPSA-N 1 0 390.259 2.000 20 5 GEBDRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000427930826 532438142 /nfs/dbraw/zinc/43/81/42/532438142.db2.gz KHZXFCKSDQECRX-SECBINFHSA-N 1 0 380.264 2.153 20 5 GEBDRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000427958773 532439017 /nfs/dbraw/zinc/43/90/17/532439017.db2.gz KGNLBSDNYWOAPQ-VIFPVBQESA-N 1 0 380.264 2.153 20 5 GEBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000592331123 532449800 /nfs/dbraw/zinc/44/98/00/532449800.db2.gz ISEKAEYRYKPCSX-GHMZBOCLSA-N 1 0 389.193 2.199 20 5 GEBDRO CC(C)(CCC[NH3+])NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431039700 532504625 /nfs/dbraw/zinc/50/46/25/532504625.db2.gz SSCAEHAJZHCNGS-UHFFFAOYSA-N 1 0 380.264 2.153 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000237725483 532511110 /nfs/dbraw/zinc/51/11/10/532511110.db2.gz QPEQQHYLIVUZNT-JTQLQIEISA-N 1 0 392.275 2.086 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000237724670 532511657 /nfs/dbraw/zinc/51/16/57/532511657.db2.gz CFAWCWXOKHJUIP-JTQLQIEISA-N 1 0 392.275 2.025 20 5 GEBDRO CSC1(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC[NH+](C)CC1 ZINC000563325978 532499083 /nfs/dbraw/zinc/49/90/83/532499083.db2.gz POZNOXAIGHQDJC-UHFFFAOYSA-N 1 0 387.527 2.317 20 5 GEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000430603202 532501334 /nfs/dbraw/zinc/50/13/34/532501334.db2.gz NELSUEFWFZUNPH-QMTHXVAHSA-N 1 0 385.262 2.498 20 5 GEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000430603198 532501756 /nfs/dbraw/zinc/50/17/56/532501756.db2.gz NELSUEFWFZUNPH-HZMBPMFUSA-N 1 0 385.262 2.498 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(C(F)(F)F)c1 ZINC000262745798 532599749 /nfs/dbraw/zinc/59/97/49/532599749.db2.gz LPCIZFZEJMZFTO-ZJUUUORDSA-N 1 0 379.360 2.129 20 5 GEBDRO C[C@H]1[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)[C@H]1C ZINC000262906988 532606758 /nfs/dbraw/zinc/60/67/58/532606758.db2.gz YFGNSAOHTCXOPY-BDAKNGLRSA-N 1 0 389.193 2.022 20 5 GEBDRO C[C@H]1[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)[C@@H]1C ZINC000262906998 532607017 /nfs/dbraw/zinc/60/70/17/532607017.db2.gz YFGNSAOHTCXOPY-RKDXNWHRSA-N 1 0 389.193 2.022 20 5 GEBDRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597695122 532624789 /nfs/dbraw/zinc/62/47/89/532624789.db2.gz QKZNCBUOIOFMKN-LSDHHAIUSA-N 1 0 398.257 2.293 20 5 GEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC000599572449 532666719 /nfs/dbraw/zinc/66/67/19/532666719.db2.gz BKMTVDMFHHIITM-MRXNPFEDSA-N 1 0 395.257 2.063 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)c1 ZINC000285486920 532683886 /nfs/dbraw/zinc/68/38/86/532683886.db2.gz IKGRZHLKMQJYKG-WFASDCNBSA-N 1 0 389.239 2.172 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H]2c2cccc(Br)c2)c1 ZINC000378642536 532700345 /nfs/dbraw/zinc/70/03/45/532700345.db2.gz GKIMILLMEVHIPS-CABCVRRESA-N 1 0 381.230 2.362 20 5 GEBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000378290795 532689881 /nfs/dbraw/zinc/68/98/81/532689881.db2.gz YRUPCXFQMQXAQZ-VXGBXAGGSA-N 1 0 399.245 2.342 20 5 GEBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000378320579 532691082 /nfs/dbraw/zinc/69/10/82/532691082.db2.gz UZHBRNGIIROANE-WFASDCNBSA-N 1 0 398.305 2.215 20 5 GEBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440442068 532715101 /nfs/dbraw/zinc/71/51/01/532715101.db2.gz HEOQIOADKAVMMI-VIFPVBQESA-N 1 0 380.264 2.153 20 5 GEBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000301153787 532741591 /nfs/dbraw/zinc/74/15/91/532741591.db2.gz FEWIJASRULPJFQ-LLVKDONJSA-N 1 0 385.262 2.357 20 5 GEBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000445747866 532753753 /nfs/dbraw/zinc/75/37/53/532753753.db2.gz GWXOPNYUQRQPLX-UHFFFAOYSA-N 1 0 392.275 2.120 20 5 GEBDRO O=[N+]([O-])c1cc(I)ccc1NCC[N@@H+]1CCCOCC1 ZINC000302505696 532770776 /nfs/dbraw/zinc/77/07/76/532770776.db2.gz QIYFITCRQLEMJX-UHFFFAOYSA-N 1 0 391.209 2.334 20 5 GEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1SC ZINC000270412615 532797587 /nfs/dbraw/zinc/79/75/87/532797587.db2.gz BLLAAZKAQGOFGQ-WFASDCNBSA-N 1 0 385.511 2.443 20 5 GEBDRO COc1cc(C[NH2+]C[C@](C)(O)CSC)c([N+](=O)[O-])cc1OCC(F)F ZINC000272411187 532815179 /nfs/dbraw/zinc/81/51/79/532815179.db2.gz LAAGQGYXWJATMH-HNNXBMFYSA-N 1 0 380.413 2.451 20 5 GEBDRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000414455032 532828411 /nfs/dbraw/zinc/82/84/11/532828411.db2.gz BWWURPHIVBISOH-UHFFFAOYSA-N 1 0 381.376 2.328 20 5 GEBDRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000414465228 532829500 /nfs/dbraw/zinc/82/95/00/532829500.db2.gz QDJVCOVUBGSRFP-STQMWFEESA-N 1 0 392.275 2.118 20 5 GEBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000331197336 532835787 /nfs/dbraw/zinc/83/57/87/532835787.db2.gz YVCXOEZAKPPGAD-LLVKDONJSA-N 1 0 392.275 2.120 20 5 GEBDRO C[N@H+]1CC=C(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000273986665 532838887 /nfs/dbraw/zinc/83/88/87/532838887.db2.gz RFFLHPSJRNVAHI-UHFFFAOYSA-N 1 0 379.360 2.154 20 5 GEBDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000332077866 532848712 /nfs/dbraw/zinc/84/87/12/532848712.db2.gz HEGBSZSQUCSHBZ-LSDHHAIUSA-N 1 0 385.511 2.104 20 5 GEBDRO Cc1c(NC(=O)N2CCCO[C@@H](C[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415653892 532852099 /nfs/dbraw/zinc/85/20/99/532852099.db2.gz IUFLGUWCRYIPDN-NSHDSACASA-N 1 0 387.234 2.247 20 5 GEBDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000274704447 532854458 /nfs/dbraw/zinc/85/44/58/532854458.db2.gz ZKFVFHKBYXPDOI-UHFFFAOYSA-N 1 0 392.275 2.072 20 5 GEBDRO CO[C@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000415704603 532854224 /nfs/dbraw/zinc/85/42/24/532854224.db2.gz SILRCNUQRXNSEK-OLZOCXBDSA-N 1 0 387.234 2.327 20 5 GEBDRO CS[C@@H]1CN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000274728632 532855036 /nfs/dbraw/zinc/85/50/36/532855036.db2.gz DINHYERMSGPCKB-HUUCEWRRSA-N 1 0 385.511 2.104 20 5 GEBDRO CNC(=O)C(C)(C)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289486269 532856417 /nfs/dbraw/zinc/85/64/17/532856417.db2.gz KLUUDCRYWGRQAY-UHFFFAOYSA-N 1 0 391.209 2.061 20 5 GEBDRO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000289548005 532858886 /nfs/dbraw/zinc/85/88/86/532858886.db2.gz RSNKLPGTWKRWDM-VIFPVBQESA-N 1 0 377.825 2.150 20 5 GEBDRO C[N@H+](C[C@H](O)COc1ccc(I)cc1[N+](=O)[O-])C1CC1 ZINC000290512329 532882505 /nfs/dbraw/zinc/88/25/05/532882505.db2.gz BQAMOWYAHSOWDM-NSHDSACASA-N 1 0 392.193 2.033 20 5 GEBDRO O=[N+]([O-])c1cc(Br)ccc1N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000369347966 532938571 /nfs/dbraw/zinc/93/85/71/532938571.db2.gz RCHNVFRPMPYBIJ-AWEZNQCLSA-N 1 0 399.289 2.176 20 5 GEBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736204944 598498555 /nfs/dbraw/zinc/49/85/55/598498555.db2.gz UNNSPAKOIATMQY-OCCSQVGLSA-N 1 0 380.412 2.417 20 5 GEBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3ccccc3)CC2)c(-c2nn[nH]n2)c1 ZINC000823650926 599346267 /nfs/dbraw/zinc/34/62/67/599346267.db2.gz DNBWPHRSVXVLQN-UHFFFAOYSA-N 1 0 380.412 2.246 20 5 GEBDRO C[NH+](C)C1(CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCC1 ZINC000445712084 649964320 /nfs/dbraw/zinc/96/43/20/649964320.db2.gz ONWHNCWUQKDMES-UHFFFAOYSA-N 1 0 392.275 2.120 20 5 GEBDRO C[C@H]([NH2+][C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000820419406 606301048 /nfs/dbraw/zinc/30/10/48/606301048.db2.gz GTARLULZGIUVJI-IINYFYTJSA-N 1 0 399.436 2.293 20 5 GEBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820751708 606806050 /nfs/dbraw/zinc/80/60/50/606806050.db2.gz HQYYVGUUUWWKRB-MEDUHNTESA-N 1 0 382.428 2.464 20 5 GEBDRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000824584429 608470165 /nfs/dbraw/zinc/47/01/65/608470165.db2.gz ARBYIAHXZPZRJE-GFCCVEGCSA-N 1 0 381.396 2.454 20 5 GEBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824586069 608484933 /nfs/dbraw/zinc/48/49/33/608484933.db2.gz XBGRQWVPFJTQAD-GFCCVEGCSA-N 1 0 381.396 2.454 20 5 GEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826293541 608487944 /nfs/dbraw/zinc/48/79/44/608487944.db2.gz SRJNQGKJUQXREM-LBPRGKRZSA-N 1 0 381.396 2.373 20 5 GEBDRO CC[C@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000825143518 608552164 /nfs/dbraw/zinc/55/21/64/608552164.db2.gz WDPLCSPMFGUKGT-KRWDZBQOSA-N 1 0 395.423 2.132 20 5 GEBDRO CC[C@@H]([NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000825141378 608552281 /nfs/dbraw/zinc/55/22/81/608552281.db2.gz NZBJRHVKWJFUEQ-MRXNPFEDSA-N 1 0 381.396 2.454 20 5 GEBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000826283030 608554055 /nfs/dbraw/zinc/55/40/55/608554055.db2.gz ISBAIBKSIGZRGP-ZDUSSCGKSA-N 1 0 395.423 2.050 20 5 GEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000449187090 650033844 /nfs/dbraw/zinc/03/38/44/650033844.db2.gz KFFKQRKTDLKTQG-JSGCOSHPSA-N 1 0 384.479 2.012 20 5 GEBDRO CCOc1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc(Br)c1O ZINC000459444310 650424501 /nfs/dbraw/zinc/42/45/01/650424501.db2.gz NRBNJULLVYIPBJ-UHFFFAOYSA-N 1 0 385.218 2.448 20 5 GEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000504917986 650433899 /nfs/dbraw/zinc/43/38/99/650433899.db2.gz FLGHHXUTWOVXTH-UONOGXRCSA-N 1 0 387.527 2.479 20 5 GEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000504917984 650433930 /nfs/dbraw/zinc/43/39/30/650433930.db2.gz FLGHHXUTWOVXTH-KBPBESRZSA-N 1 0 387.527 2.479 20 5 GEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCNc1cc[nH+]cc1 ZINC000485635346 650698325 /nfs/dbraw/zinc/69/83/25/650698325.db2.gz YGDWPORMIZIZQU-UHFFFAOYSA-N 1 0 379.214 2.325 20 5 GEBDRO CC(C)(C)[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000488419853 650745875 /nfs/dbraw/zinc/74/58/75/650745875.db2.gz KRNKHGTVEHJFPF-SWLSCSKDSA-N 1 0 387.527 2.383 20 5 GEBDRO C[C@@H](CNCc1cc(I)cc([N+](=O)[O-])c1)C[NH+](C)C ZINC000491599578 650787669 /nfs/dbraw/zinc/78/76/69/650787669.db2.gz SHAPQFSCOZDQOC-JTQLQIEISA-N 1 0 377.226 2.487 20 5 GEBDRO O=[N+]([O-])c1cnn(CC[N@@H+](CCO)Cc2cc(Br)cs2)c1 ZINC000494247364 650802606 /nfs/dbraw/zinc/80/26/06/650802606.db2.gz JMLTXQBSVZNIBL-UHFFFAOYSA-N 1 0 375.248 2.110 20 5 GEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000540155401 650858193 /nfs/dbraw/zinc/85/81/93/650858193.db2.gz MAEBNDWQRKFLAS-JSGCOSHPSA-N 1 0 384.479 2.450 20 5 GEBDRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000124539091 643687791 /nfs/dbraw/zinc/68/77/91/643687791.db2.gz REXKXVHQBOFHOE-JOYOIKCWSA-N 1 0 392.275 2.153 20 5 GEBDRO CCC([NH3+])(CC)CNS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000124769684 643690546 /nfs/dbraw/zinc/69/05/46/643690546.db2.gz MTGVAFZZRPEYPS-UHFFFAOYSA-N 1 0 394.291 2.462 20 5 GEBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000131193381 643867668 /nfs/dbraw/zinc/86/76/68/643867668.db2.gz HXFUJHTUUOUZGJ-SNVBAGLBSA-N 1 0 394.291 2.366 20 5 GEBDRO CN(CC[NH+]1CCCC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000153787749 644006213 /nfs/dbraw/zinc/00/62/13/644006213.db2.gz YSNUMRIGHVVOLZ-UHFFFAOYSA-N 1 0 385.262 2.323 20 5 GEBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)C[C@@H](C)[NH2+]1 ZINC000154239005 644028018 /nfs/dbraw/zinc/02/80/18/644028018.db2.gz JHZLDVADPRUAFX-RKDXNWHRSA-N 1 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ZINC000261794877 645600993 /nfs/dbraw/zinc/60/09/93/645600993.db2.gz UZWLHXLVATTWIP-UHFFFAOYSA-N 1 0 386.246 2.103 20 5 GEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000262729961 645642441 /nfs/dbraw/zinc/64/24/41/645642441.db2.gz CPWBIWRNFWMDLT-MWLCHTKSSA-N 1 0 392.275 2.248 20 5 GEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000272186552 646261593 /nfs/dbraw/zinc/26/15/93/646261593.db2.gz DTIOTSPDPGMEED-DTWKUNHWSA-N 1 0 389.193 2.009 20 5 GEBDRO CC[N@H+](CCO)CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280793914 646717377 /nfs/dbraw/zinc/71/73/77/646717377.db2.gz QJLVQLFZTBARFU-UHFFFAOYSA-N 1 0 389.250 2.101 20 5 GEBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301909277 647276553 /nfs/dbraw/zinc/27/65/53/647276553.db2.gz AWJNSRYRVITEFA-AWEZNQCLSA-N 1 0 397.273 2.276 20 5 GEBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000362202935 647568337 /nfs/dbraw/zinc/56/83/37/647568337.db2.gz WKNRZZKEKFLPON-AWEZNQCLSA-N 1 0 398.257 2.340 20 5 GEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1C[C@H]2[C@H](C1)C[N@@H+]1CCCC[C@@H]21 ZINC000365542355 647675371 /nfs/dbraw/zinc/67/53/71/647675371.db2.gz ZBPPEZMYXJXDTP-OBJOEFQTSA-N 1 0 385.873 2.353 20 5 GEBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000368386265 647755499 /nfs/dbraw/zinc/75/54/99/647755499.db2.gz VOQSMBGNNNAUEG-WOFXILAISA-N 1 0 382.207 2.035 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000420449846 648417681 /nfs/dbraw/zinc/41/76/81/648417681.db2.gz OFHSYAOSVWNQIK-LBPRGKRZSA-N 1 0 394.291 2.317 20 5 GEBDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000420762626 648453313 /nfs/dbraw/zinc/45/33/13/648453313.db2.gz IHBKVNWAWHMWJE-LLVKDONJSA-N 1 0 392.275 2.072 20 5 GEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000441380904 648826326 /nfs/dbraw/zinc/82/63/26/648826326.db2.gz PZNYNOGIQAWQMN-UHFFFAOYSA-N 1 0 387.820 2.455 20 5 GEBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000610064742 651641427 /nfs/dbraw/zinc/64/14/27/651641427.db2.gz UQSQVUNZZHUETI-NSHDSACASA-N 1 0 386.246 2.198 20 5 GEBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000732815339 651676541 /nfs/dbraw/zinc/67/65/41/651676541.db2.gz LPJBYJIPWHDBQX-UHFFFAOYSA-N 1 0 394.291 2.368 20 5 GEBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000571059711 651809112 /nfs/dbraw/zinc/80/91/12/651809112.db2.gz VJRFOHFHDBGWTR-ZDUSSCGKSA-N 1 0 388.262 2.180 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cc(Cl)cc(Br)c2)c1 ZINC000572993137 651928108 /nfs/dbraw/zinc/92/81/08/651928108.db2.gz PAYOCGWPLMDNEU-CYBMUJFWSA-N 1 0 389.637 2.358 20 5 GEBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000619254539 652049798 /nfs/dbraw/zinc/04/97/98/652049798.db2.gz MHBDAJKYTOJMNI-INIZCTEOSA-N 1 0 387.889 2.255 20 5 GEBDRO CC[C@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000578981835 652308393 /nfs/dbraw/zinc/30/83/93/652308393.db2.gz ZCDBYWGLHLVNJV-NSHDSACASA-N 1 0 385.262 2.322 20 5 GEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000579591723 652345939 /nfs/dbraw/zinc/34/59/39/652345939.db2.gz KZZDMGRZNMSGCW-NSHDSACASA-N 1 0 381.376 2.424 20 5 GEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000579591722 652346078 /nfs/dbraw/zinc/34/60/78/652346078.db2.gz KZZDMGRZNMSGCW-LLVKDONJSA-N 1 0 381.376 2.424 20 5 GEBDRO CS(=O)(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000581948576 652429019 /nfs/dbraw/zinc/42/90/19/652429019.db2.gz RUZDEKJWOOFGKY-ZDUSSCGKSA-N 1 0 381.479 2.447 20 5 GEBDRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000582349257 652446847 /nfs/dbraw/zinc/44/68/47/652446847.db2.gz WCZOAXPHAULROC-SNVBAGLBSA-N 1 0 381.376 2.234 20 5 GEBDRO CSc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000589310630 652565433 /nfs/dbraw/zinc/56/54/33/652565433.db2.gz SZXIVKMBVASISW-UHFFFAOYSA-N 1 0 387.508 2.446 20 5 GEBDRO [NH3+][C@@H]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000592391855 652593261 /nfs/dbraw/zinc/59/32/61/652593261.db2.gz OUXJEBYTDIULLJ-VHSXEESVSA-N 1 0 392.275 2.153 20 5 GEBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)CCO2 ZINC000592900019 652607377 /nfs/dbraw/zinc/60/73/77/652607377.db2.gz XFESNNDVOZBNIY-UHFFFAOYSA-N 1 0 398.257 2.294 20 5 GEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000598454139 652816614 /nfs/dbraw/zinc/81/66/14/652816614.db2.gz VLRQWKIORHQMRI-CYBMUJFWSA-N 1 0 398.257 2.029 20 5 GEBDRO Cc1c(NC(=O)NCCOCCC[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000599605628 652880030 /nfs/dbraw/zinc/88/00/30/652880030.db2.gz BKKCAYBJFOWVRJ-UHFFFAOYSA-N 1 0 375.223 2.153 20 5 GEBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000599636856 652881453 /nfs/dbraw/zinc/88/14/53/652881453.db2.gz QSTXVVVIBNXCLH-LBPRGKRZSA-N 1 0 398.257 2.152 20 5 GEBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599674842 652883329 /nfs/dbraw/zinc/88/33/29/652883329.db2.gz JHFZQKMIFOVOPV-LBPRGKRZSA-N 1 0 398.257 2.340 20 5 GEBDRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599783726 652889725 /nfs/dbraw/zinc/88/97/25/652889725.db2.gz YNUSDUOQWYHDCV-LBPRGKRZSA-N 1 0 399.289 2.113 20 5 GEBDRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000768859585 653132575 /nfs/dbraw/zinc/13/25/75/653132575.db2.gz YDDYFATZLXXMCX-LLVKDONJSA-N 1 0 383.451 2.174 20 5 GEBDRO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000809808689 653297317 /nfs/dbraw/zinc/29/73/17/653297317.db2.gz DQAPEXVLSDZKBH-NWDGAFQWSA-N 1 0 377.825 2.292 20 5 GEBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809822248 653302029 /nfs/dbraw/zinc/30/20/29/653302029.db2.gz FIOAIDRVOYDSSZ-JTQLQIEISA-N 1 0 379.841 2.492 20 5 GEBDRO CN(C)C(=O)CC[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000809952810 653314865 /nfs/dbraw/zinc/31/48/65/653314865.db2.gz FNVHLEZLKDMICP-UHFFFAOYSA-N 1 0 389.283 2.498 20 5 GEBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000700973729 653318591 /nfs/dbraw/zinc/31/85/91/653318591.db2.gz HDMNONXYWCCSLT-LLVKDONJSA-N 1 0 389.193 2.070 20 5 GEBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000700973622 653318659 /nfs/dbraw/zinc/31/86/59/653318659.db2.gz DZCNZOJZZUHGMX-MNOVXSKESA-N 1 0 389.193 2.055 20 5 GEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000779904527 653615831 /nfs/dbraw/zinc/61/58/31/653615831.db2.gz FQIJIFWPQROLRY-CQSZACIVSA-N 1 0 393.918 2.272 20 5 GEBDRO CC[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(C)C ZINC000780856813 653633657 /nfs/dbraw/zinc/63/36/57/653633657.db2.gz RYMWQULEIKWRCO-UHFFFAOYSA-N 1 0 394.291 2.366 20 5 GEBDRO C[NH+]1CCC(CCNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815008906 653643064 /nfs/dbraw/zinc/64/30/64/653643064.db2.gz SGJKXBQFNBFNOQ-UHFFFAOYSA-N 1 0 379.841 2.398 20 5 GEBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000815014646 653643654 /nfs/dbraw/zinc/64/36/54/653643654.db2.gz WEDDMWLEWTWEQB-SNVBAGLBSA-N 1 0 377.825 2.150 20 5 GEBDRO COC(=O)[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000839631233 653658487 /nfs/dbraw/zinc/65/84/87/653658487.db2.gz WFAWWGCZKPBDRB-NSHDSACASA-N 1 0 376.240 2.438 20 5 GEBDRO C[NH+](C)C1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCC1 ZINC000782481851 653662340 /nfs/dbraw/zinc/66/23/40/653662340.db2.gz DZMWSTLFHYMHET-UHFFFAOYSA-N 1 0 392.275 2.120 20 5 GEBDRO CC[C@@H]1C[N@H+](C)CCN1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000840091083 653674051 /nfs/dbraw/zinc/67/40/51/653674051.db2.gz ISUGSRNFAJDAOJ-GFCCVEGCSA-N 1 0 397.273 2.297 20 5 GEBDRO C[C@@H]1CN(CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C[C@H](C)[N@H+]1C ZINC000840090670 653674185 /nfs/dbraw/zinc/67/41/85/653674185.db2.gz SIJPNDUQJDBCAO-PHIMTYICSA-N 1 0 397.273 2.295 20 5 GEBDRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000840952836 653703470 /nfs/dbraw/zinc/70/34/70/653703470.db2.gz VVXLPAITXWDUKY-UHFFFAOYSA-N 1 0 392.275 2.072 20 5 GEBDRO CN(C[C@H]1CCC[N@@H+]1C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000817374845 653709298 /nfs/dbraw/zinc/70/92/98/653709298.db2.gz MXVZAHVGOFOMOI-GFCCVEGCSA-N 1 0 397.273 2.297 20 5 GEBDRO O=C(Nc1ccc([N+](=O)[O-])c(I)c1)NC1CC[NH2+]CC1 ZINC000841234661 653711767 /nfs/dbraw/zinc/71/17/67/653711767.db2.gz RMHKIWNXGCDDBN-UHFFFAOYSA-N 1 0 390.181 2.073 20 5 GEBDRO C[NH2+]C1(CNC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])CCC1 ZINC000863921545 653722270 /nfs/dbraw/zinc/72/22/70/653722270.db2.gz CJMFSFSCDKAYLG-UHFFFAOYSA-N 1 0 385.262 2.052 20 5 GEBDRO O=C(NC[C@H]1CCC[NH2+]C1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841926905 653742568 /nfs/dbraw/zinc/74/25/68/653742568.db2.gz LUCDGBLRMRDRJS-NSHDSACASA-N 1 0 397.273 2.425 20 5 GEBDRO CC(C)[C@H]([NH3+])CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841943689 653742745 /nfs/dbraw/zinc/74/27/45/653742745.db2.gz NDKGCWBZAYJGQP-CYBMUJFWSA-N 1 0 385.262 2.408 20 5 GEBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841989422 653743085 /nfs/dbraw/zinc/74/30/85/653743085.db2.gz OXOTZECYSCAONK-HZMBPMFUSA-N 1 0 397.273 2.423 20 5 GEBDRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000819264571 653747291 /nfs/dbraw/zinc/74/72/91/653747291.db2.gz XGSOJSKICQWDGY-HNNXBMFYSA-N 1 0 384.841 2.475 20 5 GEBDRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842483832 653758358 /nfs/dbraw/zinc/75/83/58/653758358.db2.gz RMSAZIBRRAUYKA-LBPRGKRZSA-N 1 0 392.275 2.024 20 5 GEBDRO CC[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000842792013 653767523 /nfs/dbraw/zinc/76/75/23/653767523.db2.gz DIFWVBXEVQDNCY-ONGXEEELSA-N 1 0 392.275 2.105 20 5 GEBDRO CC[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[C@H]1[NH3+] ZINC000842798217 653768061 /nfs/dbraw/zinc/76/80/61/653768061.db2.gz OCKBGCDKOHGMBM-BXKDBHETSA-N 1 0 392.275 2.105 20 5 GEBDRO CC[C@@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000842798554 653768148 /nfs/dbraw/zinc/76/81/48/653768148.db2.gz RIFVYABNANBEME-SKDRFNHKSA-N 1 0 392.275 2.105 20 5 GEBDRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000842860997 653770826 /nfs/dbraw/zinc/77/08/26/653770826.db2.gz YOEHUVKMXHYELV-LLVKDONJSA-N 1 0 392.275 2.249 20 5 GEBDRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000842869554 653771151 /nfs/dbraw/zinc/77/11/51/653771151.db2.gz NOPILSUOWIUAOI-SECBINFHSA-N 1 0 380.264 2.153 20 5 GEBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)c1 ZINC000842892253 653772328 /nfs/dbraw/zinc/77/23/28/653772328.db2.gz AEOYXKKQKGUAPC-SNVBAGLBSA-N 1 0 392.275 2.168 20 5 GEBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866205491 653788910 /nfs/dbraw/zinc/78/89/10/653788910.db2.gz MRKMLRUVDGDQLS-ZYHUDNBSSA-N 1 0 375.397 2.122 20 5 GEBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)C2 ZINC000821026146 653789063 /nfs/dbraw/zinc/78/90/63/653789063.db2.gz QCEAPAYSDHLRTG-MRXNPFEDSA-N 1 0 397.273 2.497 20 5 GEBDRO C[NH+](C)C1(CS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000866825199 653833708 /nfs/dbraw/zinc/83/37/08/653833708.db2.gz JRQUYFQHHPALGA-UHFFFAOYSA-N 1 0 379.232 2.160 20 5 GEBDRO C[N@H+]1C[C@H]2CN(C(=O)NCc3ccc(Br)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000896447013 653880389 /nfs/dbraw/zinc/88/03/89/653880389.db2.gz MUMFFQOPCAPPKK-TXEJJXNPSA-N 1 0 383.246 2.060 20 5 GEBDRO Cc1c(Br)cc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000896553785 653885105 /nfs/dbraw/zinc/88/51/05/653885105.db2.gz VHCXJBQEPHKMQN-XHDPSFHLSA-N 1 0 399.289 2.030 20 5 GEBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000846234282 653892512 /nfs/dbraw/zinc/89/25/12/653892512.db2.gz MFQDYZAJLJIXFG-UHFFFAOYSA-N 1 0 392.275 2.025 20 5 GEBDRO Cc1ccc(N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c([N+](=O)[O-])c1Br ZINC000826684928 653957697 /nfs/dbraw/zinc/95/76/97/653957697.db2.gz BNALWSUNCZIONE-LLVKDONJSA-N 1 0 385.262 2.222 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC[C@H](O)C2CC2)c1 ZINC000898197980 653958184 /nfs/dbraw/zinc/95/81/84/653958184.db2.gz MBQGDABQXTYOTC-ZDUSSCGKSA-N 1 0 376.194 2.450 20 5 GEBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ncc1Br ZINC000848352538 653971907 /nfs/dbraw/zinc/97/19/07/653971907.db2.gz QOCLOFDDSPCVEF-QWHCGFSZSA-N 1 0 383.246 2.499 20 5 GEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCc4ncc(Br)n4C3)C2)c1 ZINC000898720911 653982053 /nfs/dbraw/zinc/98/20/53/653982053.db2.gz OHPOKWGMSTZQMT-WHXUTIOJSA-N 1 0 381.234 2.058 20 5 GEBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000828510138 654038921 /nfs/dbraw/zinc/03/89/21/654038921.db2.gz GYIYYQGDGLHLSA-JOYOIKCWSA-N 1 0 383.246 2.106 20 5 GEBDRO C[NH+]1CCN(CCNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000900043546 654047473 /nfs/dbraw/zinc/04/74/73/654047473.db2.gz PSIAABHEJPKSTL-UHFFFAOYSA-N 1 0 379.219 2.018 20 5 GEBDRO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000798172708 654052886 /nfs/dbraw/zinc/05/28/86/654052886.db2.gz MUVPWXQIOWHTIO-NSHDSACASA-N 1 0 383.246 2.310 20 5 GEBDRO C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000900812091 654082147 /nfs/dbraw/zinc/08/21/47/654082147.db2.gz RHHMPABZMKZIKE-FZMZJTMJSA-N 1 0 386.905 2.091 20 5 GEBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889744995 654166096 /nfs/dbraw/zinc/16/60/96/654166096.db2.gz QLBUUYLJAPHCSN-STQMWFEESA-N 1 0 398.257 2.029 20 5 GEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889767605 654170842 /nfs/dbraw/zinc/17/08/42/654170842.db2.gz IDIOFLUYUMKGOW-KGLIPLIRSA-N 1 0 398.257 2.029 20 5 GEBDRO CC(C)[N@H+](C)C[C@@H](O)CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000852023113 654213808 /nfs/dbraw/zinc/21/38/08/654213808.db2.gz WANUFEQJRMMYGB-GFCCVEGCSA-N 1 0 386.290 2.417 20 5 GEBDRO CN(CC[N@H+](C)C1CC1)C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000803116476 654265121 /nfs/dbraw/zinc/26/51/21/654265121.db2.gz NVFFAIGIAROLII-UHFFFAOYSA-N 1 0 399.289 2.346 20 5 GEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000903593783 654266007 /nfs/dbraw/zinc/26/60/07/654266007.db2.gz VOUKFPLQAWTAQW-CYBMUJFWSA-N 1 0 379.360 2.130 20 5 GEBDRO C[C@@]1(Br)C[C@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000893563839 654408520 /nfs/dbraw/zinc/40/85/20/654408520.db2.gz ULHGLCQOFHNZJY-GXFFZTMASA-N 1 0 377.260 2.132 20 5 GEBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856736000 654488541 /nfs/dbraw/zinc/48/85/41/654488541.db2.gz KDZYVNGOGFOOMF-CQSZACIVSA-N 1 0 397.273 2.100 20 5 GEBDRO O=[N+]([O-])c1cccc(CN2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1Br ZINC000934276641 654842759 /nfs/dbraw/zinc/84/27/59/654842759.db2.gz ZGCGIQYCRSAUIU-KBPBESRZSA-N 1 0 384.274 2.388 20 5 GEBDRO CC(C)N(C)Cc1nn(-c2ncnc3ccc([N+](=O)[O-])cc32)c2c1CC[NH2+]C2 ZINC001164683167 719618397 /nfs/dbraw/zinc/61/83/97/719618397.db2.gz RDCNGQYEQCCDKF-UHFFFAOYSA-N 1 0 381.440 2.210 20 5 GEBDRO CC(C)N(C)Cc1nn(-c2cc(/C=C\N(C)C)c([N+](=O)[O-])cn2)c2c1CC[NH2+]C2 ZINC001164679828 719635878 /nfs/dbraw/zinc/63/58/78/719635878.db2.gz OMAYXGCKLUXQOF-CLFYSBASSA-N 1 0 399.499 2.194 20 5 GEBDRO Cc1cnc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001164821632 720292505 /nfs/dbraw/zinc/29/25/05/720292505.db2.gz LPAMWXFDJPUXTP-SJORKVTESA-N 1 0 387.484 2.210 20 5 GEBDRO Cc1ccnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164827813 720303325 /nfs/dbraw/zinc/30/33/25/720303325.db2.gz YGKDQXHEZGLINZ-DLBZAZTESA-N 1 0 387.484 2.210 20 5 GEBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001164820981 720303728 /nfs/dbraw/zinc/30/37/28/720303728.db2.gz INQSMDUUWPRIJY-HZPDHXFCSA-N 1 0 391.447 2.040 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)cc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164727270 720559534 /nfs/dbraw/zinc/55/95/34/720559534.db2.gz CNEKSKZBIUWPOF-UHFFFAOYSA-N 1 0 376.848 2.498 20 5 GEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737891 720731380 /nfs/dbraw/zinc/73/13/80/720731380.db2.gz DIZGMCIJJUUULC-CVEARBPZSA-N 1 0 392.419 2.275 20 5 GEBDRO Cc1nc(Cl)nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164762978 721074723 /nfs/dbraw/zinc/07/47/23/721074723.db2.gz FPWLKYRFSUWYRB-UONOGXRCSA-N 1 0 391.863 2.038 20 5 GEBDRO Cc1ccnc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164892256 721393351 /nfs/dbraw/zinc/39/33/51/721393351.db2.gz SKEVJBARBNKJDW-YLJYHZDGSA-N 1 0 389.500 2.064 20 5 GEBDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc([N+](=O)[O-])cc(Cl)n2)CC1 ZINC001165008842 721730046 /nfs/dbraw/zinc/73/00/46/721730046.db2.gz SAVPTNOVQOIXHT-UHFFFAOYSA-N 1 0 381.864 2.166 20 5 GEBDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001165009503 721733170 /nfs/dbraw/zinc/73/31/70/721733170.db2.gz XZHSQJUFQRCASO-UHFFFAOYSA-N 1 0 381.864 2.166 20 5 GEBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC001165043874 721926148 /nfs/dbraw/zinc/92/61/48/721926148.db2.gz QAVNFZJIKRGCGD-CYBMUJFWSA-N 1 0 377.832 2.492 20 5 GEBDRO O=C(NCCCC[NH+]1CCOCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000162120770 531835157 /nfs/dbraw/zinc/83/51/57/531835157.db2.gz JDQJKOLSSUEBDJ-UHFFFAOYSA-N 1 0 386.246 2.200 20 5 GEBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000162163941 531835182 /nfs/dbraw/zinc/83/51/82/531835182.db2.gz DTYYKJIPPOVIDG-NSHDSACASA-N 1 0 392.275 2.120 20 5 GEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000069876074 531913489 /nfs/dbraw/zinc/91/34/89/531913489.db2.gz OCFWYILQXSDVBT-UHFFFAOYSA-N 1 0 381.376 2.246 20 5 GEBDRO O=[N+]([O-])c1cc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)cs1 ZINC000069875883 531913597 /nfs/dbraw/zinc/91/35/97/531913597.db2.gz NKSJISLOBIHGDJ-UHFFFAOYSA-N 1 0 387.405 2.308 20 5 GEBDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000113943273 531953181 /nfs/dbraw/zinc/95/31/81/531953181.db2.gz QDGIVUGNZCABFG-UHFFFAOYSA-N 1 0 392.275 2.072 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000173191581 531994686 /nfs/dbraw/zinc/99/46/86/531994686.db2.gz NWGKXKIQJSBYPO-UHFFFAOYSA-N 1 0 392.275 2.038 20 5 GEBDRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000123026147 532090844 /nfs/dbraw/zinc/09/08/44/532090844.db2.gz GZFATIVHQMBIFX-TVQRCGJNSA-N 1 0 392.275 2.248 20 5 GEBDRO O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175860992 532117244 /nfs/dbraw/zinc/11/72/44/532117244.db2.gz GMBSENBYIQIWCV-UHFFFAOYSA-N 1 0 398.257 2.294 20 5 GEBDRO O=C(c1cc([N+](=O)[O-])ccc1Br)N1CC[NH+](C2CCOCC2)CC1 ZINC000175837359 532115609 /nfs/dbraw/zinc/11/56/09/532115609.db2.gz NTDIEGZGWFMKPT-UHFFFAOYSA-N 1 0 398.257 2.294 20 5 GEBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000131228571 532195059 /nfs/dbraw/zinc/19/50/59/532195059.db2.gz QZFYSHWUPIHVQY-SNVBAGLBSA-N 1 0 392.275 2.072 20 5 GEBDRO Cc1nc(C)c([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000180940877 532286302 /nfs/dbraw/zinc/28/63/02/532286302.db2.gz PAVSTMJLXYEORR-SNVBAGLBSA-N 1 0 384.483 2.297 20 5 GEBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182648565 532316100 /nfs/dbraw/zinc/31/61/00/532316100.db2.gz MBKZGEFZETZNPS-GFCCVEGCSA-N 1 0 386.905 2.092 20 5 GEBDRO CS(=O)(=O)N1CC(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000189707428 532353257 /nfs/dbraw/zinc/35/32/57/532353257.db2.gz YIOGRYVGXOIGNZ-UHFFFAOYSA-N 1 0 381.479 2.304 20 5 GEBDRO C[N@@H+]1C[C@H]2CCN(Cc3cc(I)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590011946 532366356 /nfs/dbraw/zinc/36/63/56/532366356.db2.gz NLKKLRNJLROPDX-BXUZGUMPSA-N 1 0 387.221 2.335 20 5 GEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279270374 532394397 /nfs/dbraw/zinc/39/43/97/532394397.db2.gz KKDKOHKFQMNKSB-GFCCVEGCSA-N 1 0 375.828 2.403 20 5 GEBDRO O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000192362624 532402835 /nfs/dbraw/zinc/40/28/35/532402835.db2.gz URCCZOPKYYSKNQ-LBPRGKRZSA-N 1 0 398.257 2.152 20 5 GEBDRO CSCC[C@@H](CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000517204718 532408698 /nfs/dbraw/zinc/40/86/98/532408698.db2.gz GXXCAMIQZYLQEY-NSHDSACASA-N 1 0 396.250 2.403 20 5 GEBDRO CN(C(=O)c1cc(I)cc([N+](=O)[O-])c1)C1(C[NH3+])CCC1 ZINC000591684953 532420496 /nfs/dbraw/zinc/42/04/96/532420496.db2.gz DDCOVRIQMWMZDG-UHFFFAOYSA-N 1 0 389.193 2.153 20 5 GEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000592370537 532452208 /nfs/dbraw/zinc/45/22/08/532452208.db2.gz NPTZYIRALCRSGD-NXEZZACHSA-N 1 0 381.376 2.362 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)c1 ZINC000519640088 532472757 /nfs/dbraw/zinc/47/27/57/532472757.db2.gz ZCHQQWSNCMGNGV-NOLJZWGESA-N 1 0 395.257 2.451 20 5 GEBDRO CC(C)[C@@](C)([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(N)=O ZINC000562684246 532477795 /nfs/dbraw/zinc/47/77/95/532477795.db2.gz SLLDQJRBIOLMCP-CYBMUJFWSA-N 1 0 391.209 2.189 20 5 GEBDRO C[C@@](C[NH3+])(NC(=O)c1cc([N+](=O)[O-])ccc1I)C1CC1 ZINC000237638056 532509540 /nfs/dbraw/zinc/50/95/40/532509540.db2.gz RYQFKTPWDYYJGD-ZDUSSCGKSA-N 1 0 389.193 2.057 20 5 GEBDRO [NH3+]CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)CC1 ZINC000238034810 532517235 /nfs/dbraw/zinc/51/72/35/532517235.db2.gz NWUPMWGKEYQQMS-UHFFFAOYSA-N 1 0 389.193 2.010 20 5 GEBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596167620 532590075 /nfs/dbraw/zinc/59/00/75/532590075.db2.gz FEWWAATXLKQTKD-AWEZNQCLSA-N 1 0 397.273 2.100 20 5 GEBDRO COC(=O)c1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(Br)c1 ZINC000284525617 532599514 /nfs/dbraw/zinc/59/95/14/532599514.db2.gz ZPLDHTTYJYNCDO-UHFFFAOYSA-N 1 0 383.202 2.130 20 5 GEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])ccc3Br)[C@H]2C1 ZINC000297905537 532611455 /nfs/dbraw/zinc/61/14/55/532611455.db2.gz RHEKBXZLXGFCJC-LSDHHAIUSA-N 1 0 398.257 2.293 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)c1 ZINC000284879264 532629294 /nfs/dbraw/zinc/62/92/94/532629294.db2.gz SWMHERJKQLUOFB-HUUCEWRRSA-N 1 0 396.245 2.051 20 5 GEBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000567353847 532650702 /nfs/dbraw/zinc/65/07/02/532650702.db2.gz MJZQZRACGQAKGU-SFYZADRCSA-N 1 0 377.182 2.055 20 5 GEBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H](O)c1cccc(Br)c1 ZINC000298473250 532652477 /nfs/dbraw/zinc/65/24/77/532652477.db2.gz SJTYMYLRFOUEGN-OAHLLOKOSA-N 1 0 396.241 2.184 20 5 GEBDRO C[NH+](C)CCCCNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000264892609 532681858 /nfs/dbraw/zinc/68/18/58/532681858.db2.gz KFIMAJSRRKYDDN-UHFFFAOYSA-N 1 0 391.209 2.271 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000440417174 532712908 /nfs/dbraw/zinc/71/29/08/532712908.db2.gz XLARXASTAZNCTF-JTQLQIEISA-N 1 0 392.275 2.025 20 5 GEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000440426638 532715085 /nfs/dbraw/zinc/71/50/85/532715085.db2.gz QHDFJMRXRASWNU-NXEZZACHSA-N 1 0 392.275 2.105 20 5 GEBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000577049721 532730009 /nfs/dbraw/zinc/73/00/09/532730009.db2.gz YDOLWJQUUBSUAW-WFASDCNBSA-N 1 0 385.262 2.475 20 5 GEBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCc2cccs2)c([N+](=O)[O-])c1 ZINC000301242854 532745857 /nfs/dbraw/zinc/74/58/57/532745857.db2.gz URPRYAGZNVRFDR-UHFFFAOYSA-N 1 0 384.483 2.108 20 5 GEBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)c(Br)c1 ZINC000301560292 532755266 /nfs/dbraw/zinc/75/52/66/532755266.db2.gz KDILMMHOXQMRGD-NWDGAFQWSA-N 1 0 385.262 2.178 20 5 GEBDRO COCC[N@@H+]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000269265832 532777949 /nfs/dbraw/zinc/77/79/49/532777949.db2.gz JSKOMMJXZWWFCF-UHFFFAOYSA-N 1 0 386.246 2.152 20 5 GEBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)CC[C@H]1[NH3+] ZINC000269308383 532779855 /nfs/dbraw/zinc/77/98/55/532779855.db2.gz ZSHCJVAOJZVCMG-QPUJVOFHSA-N 1 0 389.193 2.009 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000287907782 532813277 /nfs/dbraw/zinc/81/32/77/532813277.db2.gz ZYZZSLNCJNGELN-GWCFXTLKSA-N 1 0 382.360 2.068 20 5 GEBDRO CC(C)NC(=O)[C@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000414538273 532831422 /nfs/dbraw/zinc/83/14/22/532831422.db2.gz AVUBJIGXBSCECD-VIFPVBQESA-N 1 0 391.209 2.202 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@]2(O)CCSC2)c1 ZINC000289528264 532858126 /nfs/dbraw/zinc/85/81/26/532858126.db2.gz OINDRKLCSODITO-GFCCVEGCSA-N 1 0 394.234 2.157 20 5 GEBDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000736132921 598960874 /nfs/dbraw/zinc/96/08/74/598960874.db2.gz PPGGJALURZNSSE-YVEFUNNKSA-N 1 0 393.407 2.231 20 5 GEBDRO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c(-c2nn[nH]n2)c1 ZINC000738373701 598675129 /nfs/dbraw/zinc/67/51/29/598675129.db2.gz FUVLZVSDOKICQG-OAHLLOKOSA-N 1 0 394.439 2.146 20 5 GEBDRO C[NH+](C)CCOc1ccc(CCNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])cc1 ZINC000736768942 598797520 /nfs/dbraw/zinc/79/75/20/598797520.db2.gz JZJBKDMUVOZNAR-UHFFFAOYSA-N 1 0 397.439 2.370 20 5 GEBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000820409909 599386113 /nfs/dbraw/zinc/38/61/13/599386113.db2.gz BXRQFZNEKFVHBA-NEPJUHHUSA-N 1 0 381.396 2.453 20 5 GEBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820420164 599388516 /nfs/dbraw/zinc/38/85/16/599388516.db2.gz NJLOHNUZKNQXQL-SJCJKPOMSA-N 1 0 393.407 2.231 20 5 GEBDRO CC[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000444165305 649938657 /nfs/dbraw/zinc/93/86/57/649938657.db2.gz GLWNNCZEOBYZMX-UHFFFAOYSA-N 1 0 394.291 2.366 20 5 GEBDRO C[C@@H]1C[NH+](C(C)(C)CNc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000820742889 606644727 /nfs/dbraw/zinc/64/47/27/606644727.db2.gz NGMJWDKIGZKBHO-VXGBXAGGSA-N 1 0 375.433 2.075 20 5 GEBDRO C[N@@H+]1CCC[C@@H]2CN(c3cc(-c4nn[nH]n4)c4cc([N+](=O)[O-])ccc4n3)CC[C@H]21 ZINC000821625063 607030297 /nfs/dbraw/zinc/03/02/97/607030297.db2.gz FALKAARTJCOKPK-SJKOYZFVSA-N 1 0 394.439 2.244 20 5 GEBDRO Cc1nc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)ccc1[N+](=O)[O-] ZINC000822449981 607164766 /nfs/dbraw/zinc/16/47/66/607164766.db2.gz XOLJNYITUCQMKH-UHFFFAOYSA-N 1 0 394.439 2.191 20 5 GEBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000823620704 607167662 /nfs/dbraw/zinc/16/76/62/607167662.db2.gz OOUDTJFUWQJBHE-CQSZACIVSA-N 1 0 380.412 2.246 20 5 GEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825428315 608061202 /nfs/dbraw/zinc/06/12/02/608061202.db2.gz JHICEPISDJHAIM-CYBMUJFWSA-N 1 0 383.412 2.020 20 5 GEBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553603 608464724 /nfs/dbraw/zinc/46/47/24/608464724.db2.gz DKGOVDWSJHRFBQ-GFCCVEGCSA-N 1 0 381.396 2.089 20 5 GEBDRO CN(C(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000825817863 608532368 /nfs/dbraw/zinc/53/23/68/608532368.db2.gz QXHWEZJLDGHMSA-UHFFFAOYSA-N 1 0 393.407 2.017 20 5 GEBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000826283327 608554299 /nfs/dbraw/zinc/55/42/99/608554299.db2.gz ORPAQHAJBRVQBP-LBPRGKRZSA-N 1 0 381.396 2.373 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000447250892 650003647 /nfs/dbraw/zinc/00/36/47/650003647.db2.gz XHOWZCVZNQWLGG-UWVGGRQHSA-N 1 0 392.275 2.024 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@@H](O)C2CCC2)c1 ZINC000449739992 650048168 /nfs/dbraw/zinc/04/81/68/650048168.db2.gz NGJCNBCNCVXVCB-CYBMUJFWSA-N 1 0 376.194 2.450 20 5 GEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@H](O)[C@H](CO)C3)o2)c(Br)c1 ZINC000459702138 650430056 /nfs/dbraw/zinc/43/00/56/650430056.db2.gz KZGQHUQKWCTWLR-BONVTDFDSA-N 1 0 397.225 2.402 20 5 GEBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)Cc2ccccc2C1 ZINC000462315783 650475065 /nfs/dbraw/zinc/47/50/65/650475065.db2.gz LCPZXVMXFMXOKT-UHFFFAOYSA-N 1 0 381.479 2.034 20 5 GEBDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CS1 ZINC000488416972 650745938 /nfs/dbraw/zinc/74/59/38/650745938.db2.gz JKJULRSTCZCUDY-IUODEOHRSA-N 1 0 387.527 2.383 20 5 GEBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1[NH+](C)C ZINC000489245082 650756535 /nfs/dbraw/zinc/75/65/35/650756535.db2.gz FDBLOCQIQFAJAB-DGCLKSJQSA-N 1 0 375.397 2.314 20 5 GEBDRO [NH3+]C1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2I)CC1 ZINC000051694690 642702780 /nfs/dbraw/zinc/70/27/80/642702780.db2.gz VSVGFUASKGBIGV-UHFFFAOYSA-N 1 0 389.193 2.199 20 5 GEBDRO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000093530848 643077576 /nfs/dbraw/zinc/07/75/76/643077576.db2.gz LOKZDOLSYIHQSP-CYBMUJFWSA-N 1 0 381.479 2.447 20 5 GEBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000116346780 643458987 /nfs/dbraw/zinc/45/89/87/643458987.db2.gz RXXZAZBGNXZFIV-NSHDSACASA-N 1 0 392.275 2.072 20 5 GEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1ccc(Cl)s1 ZINC000116922386 643477092 /nfs/dbraw/zinc/47/70/92/643477092.db2.gz CYMOEBWJPZPZAT-UHFFFAOYSA-N 1 0 375.859 2.378 20 5 GEBDRO COCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000119835945 643573510 /nfs/dbraw/zinc/57/35/10/643573510.db2.gz YUECVJBKHQJKOY-UHFFFAOYSA-N 1 0 386.246 2.198 20 5 GEBDRO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000124538872 643687904 /nfs/dbraw/zinc/68/79/04/643687904.db2.gz REXKXVHQBOFHOE-SKDRFNHKSA-N 1 0 392.275 2.153 20 5 GEBDRO C[NH+]1CCN([C@H]2CCCCN(c3ncc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000127053577 643757406 /nfs/dbraw/zinc/75/74/06/643757406.db2.gz SVWGMZHAXAFHOU-AWEZNQCLSA-N 1 0 398.305 2.359 20 5 GEBDRO C[NH+]1CCN([C@@H]2CCCCN(c3ncc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000127053325 643757507 /nfs/dbraw/zinc/75/75/07/643757507.db2.gz SVWGMZHAXAFHOU-CQSZACIVSA-N 1 0 398.305 2.359 20 5 GEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000127789509 643785507 /nfs/dbraw/zinc/78/55/07/643785507.db2.gz CNUBOQJYKRLEOT-UHFFFAOYSA-N 1 0 375.859 2.378 20 5 GEBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000131193600 643867601 /nfs/dbraw/zinc/86/76/01/643867601.db2.gz HXFUJHTUUOUZGJ-JTQLQIEISA-N 1 0 394.291 2.366 20 5 GEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000154145612 644021438 /nfs/dbraw/zinc/02/14/38/644021438.db2.gz WJTIJXLDTVANDJ-UHFFFAOYSA-N 1 0 398.257 2.294 20 5 GEBDRO COCCN(CC[NH+](C)C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543291565 650906050 /nfs/dbraw/zinc/90/60/50/650906050.db2.gz MZPHFDCYTHCSLW-UHFFFAOYSA-N 1 0 375.878 2.377 20 5 GEBDRO Cc1c(Br)c(N(C)CCCN2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000543436150 650911823 /nfs/dbraw/zinc/91/18/23/650911823.db2.gz LAJVSODXEFODAZ-UHFFFAOYSA-N 1 0 386.294 2.134 20 5 GEBDRO C[NH+](C)CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000544863873 650956781 /nfs/dbraw/zinc/95/67/81/650956781.db2.gz GFZAFLIMOHCCRG-UHFFFAOYSA-N 1 0 392.275 2.120 20 5 GEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCC[NH+]1CCC(O)CC1 ZINC000183074018 644978367 /nfs/dbraw/zinc/97/83/67/644978367.db2.gz IWGAGYONXZPMQJ-UHFFFAOYSA-N 1 0 387.889 2.303 20 5 GEBDRO C[NH+](C)CC1(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCC1 ZINC000546198402 650995289 /nfs/dbraw/zinc/99/52/89/650995289.db2.gz WMCXVHFSGAJSLY-UHFFFAOYSA-N 1 0 392.275 2.120 20 5 GEBDRO CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000236625284 645414630 /nfs/dbraw/zinc/41/46/30/645414630.db2.gz WATVTRCJCHKPJU-SNVBAGLBSA-N 1 0 380.264 2.009 20 5 GEBDRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000236721920 645418592 /nfs/dbraw/zinc/41/85/92/645418592.db2.gz CAMWKRAVGPIVCS-ZDUSSCGKSA-N 1 0 394.291 2.399 20 5 GEBDRO CCC([NH3+])(CC)CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000236851314 645420166 /nfs/dbraw/zinc/42/01/66/645420166.db2.gz UGPILCQJDPIXJI-UHFFFAOYSA-N 1 0 380.264 2.153 20 5 GEBDRO C[C@](C[NH3+])(NC(=O)c1cc([N+](=O)[O-])ccc1I)C1CC1 ZINC000237611402 645438223 /nfs/dbraw/zinc/43/82/23/645438223.db2.gz RYQFKTPWDYYJGD-CYBMUJFWSA-N 1 0 389.193 2.057 20 5 GEBDRO C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)[C@H]1C[NH3+] ZINC000246960818 645499562 /nfs/dbraw/zinc/49/95/62/645499562.db2.gz UYKDFECZUVNVFW-ZANVPECISA-N 1 0 392.275 2.105 20 5 GEBDRO C[NH2+][C@H](C)Cc1noc(-c2ccc([N+](=O)[O-])cc2I)n1 ZINC000261618871 645590831 /nfs/dbraw/zinc/59/08/31/645590831.db2.gz BOHYGXWVTIVCMQ-SSDOTTSWSA-N 1 0 388.165 2.400 20 5 GEBDRO CC[N@@H+](Cc1ccccc1Br)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266536740 645848204 /nfs/dbraw/zinc/84/82/04/645848204.db2.gz OQMFZFGWFVFTOV-AWEZNQCLSA-N 1 0 383.246 2.437 20 5 GEBDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000269485782 646039660 /nfs/dbraw/zinc/03/96/60/646039660.db2.gz MUXOZZNMURKARC-NSHDSACASA-N 1 0 381.376 2.328 20 5 GEBDRO CS[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C[C@H]1[NH+]1CCCC1 ZINC000332071297 647410092 /nfs/dbraw/zinc/41/00/92/647410092.db2.gz CIAPATSDTNQIDC-HUUCEWRRSA-N 1 0 385.511 2.104 20 5 GEBDRO C[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362660078 647570915 /nfs/dbraw/zinc/57/09/15/647570915.db2.gz UUHKFVYEHSVOQH-OCCSQVGLSA-N 1 0 398.305 2.215 20 5 GEBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000363713435 647606588 /nfs/dbraw/zinc/60/65/88/647606588.db2.gz XHRGSQMDHLFGGT-ZDUSSCGKSA-N 1 0 398.257 2.340 20 5 GEBDRO CN(C)C1(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000418119793 648282448 /nfs/dbraw/zinc/28/24/48/648282448.db2.gz YNRPGHZQKOMCMV-UHFFFAOYSA-N 1 0 375.210 2.383 20 5 GEBDRO C[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420471107 648419261 /nfs/dbraw/zinc/41/92/61/648419261.db2.gz AKAZNOOZXPGSGL-UWVGGRQHSA-N 1 0 381.376 2.219 20 5 GEBDRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000440812099 648814606 /nfs/dbraw/zinc/81/46/06/648814606.db2.gz UKWPEGQYRNFOKQ-JTQLQIEISA-N 1 0 381.376 2.363 20 5 GEBDRO CN(CCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)S(C)(=O)=O ZINC000609598486 651626356 /nfs/dbraw/zinc/62/63/56/651626356.db2.gz NLZNMYBZCSFXCC-UHFFFAOYSA-N 1 0 384.483 2.089 20 5 GEBDRO CSC1(CNS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC[NH+](C)CC1 ZINC000570488188 651770637 /nfs/dbraw/zinc/77/06/37/651770637.db2.gz PATRBNURYXGZJP-UHFFFAOYSA-N 1 0 387.527 2.317 20 5 GEBDRO C[S@](=O)CCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000572351681 651886710 /nfs/dbraw/zinc/88/67/10/651886710.db2.gz CDRQUBDTZFEPJH-SFHVURJKSA-N 1 0 382.223 2.058 20 5 GEBDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742290392 651974238 /nfs/dbraw/zinc/97/42/38/651974238.db2.gz NZWBXRKKTZZLQW-UHFFFAOYSA-N 1 0 392.275 2.074 20 5 GEBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000574263121 652011659 /nfs/dbraw/zinc/01/16/59/652011659.db2.gz KBJZFFPSNKQTPD-TZMCWYRMSA-N 1 0 385.262 2.475 20 5 GEBDRO CS(=O)(=O)N1CCC([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000618798308 652032291 /nfs/dbraw/zinc/03/22/91/652032291.db2.gz MZJLXBZOVIXOIY-UHFFFAOYSA-N 1 0 381.376 2.127 20 5 GEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1C[NH2+]CCC1(F)F ZINC000579475238 652340698 /nfs/dbraw/zinc/34/06/98/652340698.db2.gz YISRMZDBNBQREV-NSHDSACASA-N 1 0 378.173 2.013 20 5 GEBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000580183993 652369351 /nfs/dbraw/zinc/36/93/51/652369351.db2.gz NQPULHSURAOJNR-ZDUSSCGKSA-N 1 0 389.193 2.010 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000580550457 652383134 /nfs/dbraw/zinc/38/31/34/652383134.db2.gz IQGKODYNUZBJBN-RKDXNWHRSA-N 1 0 380.253 2.132 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCOc2cccc(Cl)c2Cl)c1 ZINC000582176096 652438724 /nfs/dbraw/zinc/43/87/24/652438724.db2.gz BOVGOWIFZIORQM-NSHDSACASA-N 1 0 375.212 2.128 20 5 GEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588864055 652557166 /nfs/dbraw/zinc/55/71/66/652557166.db2.gz YMCDTXSHJHDKST-QWHCGFSZSA-N 1 0 385.873 2.008 20 5 GEBDRO CN1CCC[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000589310436 652565420 /nfs/dbraw/zinc/56/54/20/652565420.db2.gz MQDXJUMCJKYYJN-LBPRGKRZSA-N 1 0 375.210 2.383 20 5 GEBDRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000592388262 652592846 /nfs/dbraw/zinc/59/28/46/652592846.db2.gz FNMXFJHBWLOIOP-LLVKDONJSA-N 1 0 392.275 2.249 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000593732460 652633922 /nfs/dbraw/zinc/63/39/22/652633922.db2.gz MUVNPUJWWJJHPA-UHFFFAOYSA-N 1 0 381.376 2.282 20 5 GEBDRO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000599101445 652849655 /nfs/dbraw/zinc/84/96/55/652849655.db2.gz JTHVHOCQGAHICN-LBPRGKRZSA-N 1 0 381.376 2.232 20 5 GEBDRO CC1([NH+]2CCOCC2)CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000599161478 652851861 /nfs/dbraw/zinc/85/18/61/652851861.db2.gz YFIFKAYMHJOHSM-UHFFFAOYSA-N 1 0 385.262 2.443 20 5 GEBDRO C[NH2+]CCOCCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000599606201 652880013 /nfs/dbraw/zinc/88/00/13/652880013.db2.gz LTUKXLAYBNYHNC-UHFFFAOYSA-N 1 0 375.223 2.023 20 5 GEBDRO CSC1(CNS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CC[NH+](C)CC1 ZINC000601416317 653093123 /nfs/dbraw/zinc/09/31/23/653093123.db2.gz OILBTJIWZNMNRI-UHFFFAOYSA-N 1 0 391.490 2.148 20 5 GEBDRO O=[N+]([O-])c1cc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1Br ZINC000769326735 653148912 /nfs/dbraw/zinc/14/89/12/653148912.db2.gz GCWRWWOVWGBKMS-ZBFHGGJFSA-N 1 0 384.274 2.388 20 5 GEBDRO O=[N+]([O-])c1cc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1Br ZINC000769326727 653149202 /nfs/dbraw/zinc/14/92/02/653149202.db2.gz GCWRWWOVWGBKMS-GDBMZVCRSA-N 1 0 384.274 2.388 20 5 GEBDRO [NH3+]CCCOC1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000602433514 653180736 /nfs/dbraw/zinc/18/07/36/653180736.db2.gz LXICFSDLZHAKDI-UHFFFAOYSA-N 1 0 386.246 2.327 20 5 GEBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602621285 653195128 /nfs/dbraw/zinc/19/51/28/653195128.db2.gz CPVAHKFPYWJBSP-NWDGAFQWSA-N 1 0 395.275 2.329 20 5 GEBDRO CS(=O)(=O)c1ccc(N(CC[NH3+])Cc2cccnc2Cl)c([N+](=O)[O-])c1 ZINC000809728423 653292090 /nfs/dbraw/zinc/29/20/90/653292090.db2.gz WXWIHOJFLPMMOB-UHFFFAOYSA-N 1 0 384.845 2.012 20 5 GEBDRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809825868 653303477 /nfs/dbraw/zinc/30/34/77/653303477.db2.gz USDFMQPQHQKJND-SNVBAGLBSA-N 1 0 397.856 2.022 20 5 GEBDRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809842089 653308765 /nfs/dbraw/zinc/30/87/65/653308765.db2.gz AQWYXINKZQINRV-UHFFFAOYSA-N 1 0 379.841 2.494 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H](CCO)C2CC2)c1 ZINC000809976212 653315807 /nfs/dbraw/zinc/31/58/07/653315807.db2.gz KRMCAQLEACXACN-ZDUSSCGKSA-N 1 0 376.194 2.450 20 5 GEBDRO CSC1(CNS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC[NH+](C)CC1 ZINC000810083436 653322859 /nfs/dbraw/zinc/32/28/59/653322859.db2.gz DSZMINAIUYLOSF-UHFFFAOYSA-N 1 0 391.490 2.148 20 5 GEBDRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000877331600 653476691 /nfs/dbraw/zinc/47/66/91/653476691.db2.gz ORWPRTVFSOPPKV-AWEZNQCLSA-N 1 0 398.257 2.246 20 5 GEBDRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc([N+](=O)[O-])cc1Br ZINC000877333476 653477127 /nfs/dbraw/zinc/47/71/27/653477127.db2.gz WBCJRXPLCNQDDF-LBPRGKRZSA-N 1 0 398.257 2.246 20 5 GEBDRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815014112 653643624 /nfs/dbraw/zinc/64/36/24/653643624.db2.gz WQRWAYFFUMGFKD-JTQLQIEISA-N 1 0 379.841 2.350 20 5 GEBDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000815024901 653645107 /nfs/dbraw/zinc/64/51/07/653645107.db2.gz ORLNEDGQVZNCDD-MFKMUULPSA-N 1 0 391.852 2.492 20 5 GEBDRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])C2)C1 ZINC000815049310 653648159 /nfs/dbraw/zinc/64/81/59/653648159.db2.gz YTSUGLMHFYPRDS-CQSZACIVSA-N 1 0 377.825 2.104 20 5 GEBDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000815597070 653662037 /nfs/dbraw/zinc/66/20/37/653662037.db2.gz LPGBEUGVQRROCX-NSHDSACASA-N 1 0 384.483 2.176 20 5 GEBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000784724166 653698850 /nfs/dbraw/zinc/69/88/50/653698850.db2.gz ZFGOXMLWKXLZRP-JTQLQIEISA-N 1 0 394.291 2.366 20 5 GEBDRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000819264536 653747401 /nfs/dbraw/zinc/74/74/01/653747401.db2.gz WUCIOZKOVJRCSU-HNNXBMFYSA-N 1 0 384.841 2.475 20 5 GEBDRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000842797947 653768062 /nfs/dbraw/zinc/76/80/62/653768062.db2.gz VPPYGBFOUDYJTP-UHFFFAOYSA-N 1 0 379.360 2.162 20 5 GEBDRO CN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1C[NH+]2CCC1CC2 ZINC000865713406 653772356 /nfs/dbraw/zinc/77/23/56/653772356.db2.gz PRPNIDFANJTNRW-HNNXBMFYSA-N 1 0 382.258 2.452 20 5 GEBDRO [NH3+]CCCCCCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000842919147 653773549 /nfs/dbraw/zinc/77/35/49/653773549.db2.gz KLWPCUBEBZXESG-UHFFFAOYSA-N 1 0 380.264 2.155 20 5 GEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000820595634 653777510 /nfs/dbraw/zinc/77/75/10/653777510.db2.gz OCTPJQULNGSZEF-GXSJLCMTSA-N 1 0 381.376 2.417 20 5 GEBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866205490 653788794 /nfs/dbraw/zinc/78/87/94/653788794.db2.gz MRKMLRUVDGDQLS-PWSUYJOCSA-N 1 0 375.397 2.122 20 5 GEBDRO [NH3+]CCCCCCNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000843511142 653788860 /nfs/dbraw/zinc/78/88/60/653788860.db2.gz IIEGTIFTLHQXHV-UHFFFAOYSA-N 1 0 391.209 2.448 20 5 GEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866826303 653833723 /nfs/dbraw/zinc/83/37/23/653833723.db2.gz XQFNELFEQAQMTD-MNOVXSKESA-N 1 0 379.360 2.129 20 5 GEBDRO C[NH+]1CCC(CNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000883332802 653835885 /nfs/dbraw/zinc/83/58/85/653835885.db2.gz CPMDEXJNOTVRDN-UHFFFAOYSA-N 1 0 385.262 2.498 20 5 GEBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000883416060 653839517 /nfs/dbraw/zinc/83/95/17/653839517.db2.gz KUEUCGPKDLWXEY-GFCCVEGCSA-N 1 0 383.246 2.393 20 5 GEBDRO Cc1c(Br)cc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000896553783 653885006 /nfs/dbraw/zinc/88/50/06/653885006.db2.gz VHCXJBQEPHKMQN-IAQYHMDHSA-N 1 0 399.289 2.030 20 5 GEBDRO CSC1(CNS(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000867280748 653908458 /nfs/dbraw/zinc/90/84/58/653908458.db2.gz YABKTZVBCWXJAS-UHFFFAOYSA-N 1 0 391.490 2.148 20 5 GEBDRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCSC1 ZINC000795872462 653973308 /nfs/dbraw/zinc/97/33/08/653973308.db2.gz HVBKJTRFAUYGAX-CYBMUJFWSA-N 1 0 397.881 2.103 20 5 GEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000827233654 653982137 /nfs/dbraw/zinc/98/21/37/653982137.db2.gz QWBHKRJWXDBFEN-TZMCWYRMSA-N 1 0 382.258 2.452 20 5 GEBDRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796490549 653999099 /nfs/dbraw/zinc/99/90/99/653999099.db2.gz VVQLXQAHMVOIOR-FZMZJTMJSA-N 1 0 375.878 2.446 20 5 GEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000868451021 654037019 /nfs/dbraw/zinc/03/70/19/654037019.db2.gz INNXHIKZHGCSHY-OLZOCXBDSA-N 1 0 382.258 2.310 20 5 GEBDRO C[NH+](C)CCN1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000900006522 654046506 /nfs/dbraw/zinc/04/65/06/654046506.db2.gz DIVBCJFCWXTPCS-UHFFFAOYSA-N 1 0 393.246 2.360 20 5 GEBDRO CN1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c2c[nH+]ccc21 ZINC000798227033 654055682 /nfs/dbraw/zinc/05/56/82/654055682.db2.gz IGEYJTSKIVSKRW-UHFFFAOYSA-N 1 0 386.792 2.427 20 5 GEBDRO CC[NH+]1CCC(NC(=O)COc2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000902620761 654188805 /nfs/dbraw/zinc/18/88/05/654188805.db2.gz QNKWMQAORJIPNO-UHFFFAOYSA-N 1 0 386.246 2.337 20 5 GEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000854650145 654373142 /nfs/dbraw/zinc/37/31/42/654373142.db2.gz NUTAQWXNDYSTOR-YPMHNXCESA-N 1 0 399.289 2.345 20 5 GEBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856735999 654488560 /nfs/dbraw/zinc/48/85/60/654488560.db2.gz KDZYVNGOGFOOMF-AWEZNQCLSA-N 1 0 397.273 2.100 20 5 GEBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000925516222 654545550 /nfs/dbraw/zinc/54/55/50/654545550.db2.gz WFYVXWYEQAGZND-NSHDSACASA-N 1 0 375.878 2.398 20 5 GEBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)C[C@]2(C)C1 ZINC000907566046 654558668 /nfs/dbraw/zinc/55/86/68/654558668.db2.gz VYNXPOXPQAGLKP-OTYXRUKQSA-N 1 0 394.280 2.474 20 5 GEBDRO Nc1c(Br)cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000931649857 654751223 /nfs/dbraw/zinc/75/12/23/654751223.db2.gz DKORPKIXOIRAJB-LLVKDONJSA-N 1 0 383.246 2.250 20 5 GEBDRO O=[N+]([O-])c1cccc(Br)c1CN1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000934275289 654842713 /nfs/dbraw/zinc/84/27/13/654842713.db2.gz OIYNRVXTQFNLRT-CVEARBPZSA-N 1 0 384.274 2.388 20 5 GEBDRO CS[C@@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C[C@H]1[NH+](C)C ZINC000935111499 654876402 /nfs/dbraw/zinc/87/64/02/654876402.db2.gz PSPGWXZEACBMRA-NXEZZACHSA-N 1 0 376.841 2.087 20 5 GEBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)CC2 ZINC001164682541 719715292 /nfs/dbraw/zinc/71/52/92/719715292.db2.gz FOGZZKQEJNUVHJ-UHFFFAOYSA-N 1 0 383.452 2.324 20 5 GEBDRO Cc1ccnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164827816 720303760 /nfs/dbraw/zinc/30/37/60/720303760.db2.gz YGKDQXHEZGLINZ-IAGOWNOFSA-N 1 0 387.484 2.210 20 5 GEBDRO CSc1nc(Cl)nc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001164727999 720516921 /nfs/dbraw/zinc/51/69/21/720516921.db2.gz HSOXEEYAMZNEIQ-SNVBAGLBSA-N 1 0 397.892 2.155 20 5 GEBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc([N+](=O)[O-])cc3N)CC[C@@H]21 ZINC001164835958 720595968 /nfs/dbraw/zinc/59/59/68/720595968.db2.gz DAJCJQMMDRPRBA-ZVZYQTTQSA-N 1 0 385.472 2.146 20 5 GEBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc4cccc([N+](=O)[O-])c4n3)CC[C@H]2C1 ZINC001164851843 720852031 /nfs/dbraw/zinc/85/20/31/720852031.db2.gz IDQNWBWMSRFQIL-FUHWJXTLSA-N 1 0 386.452 2.317 20 5 GEBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nccc4ccc([N+](=O)[O-])cc43)CC[C@@H]2C1 ZINC001164854302 720870354 /nfs/dbraw/zinc/87/03/54/720870354.db2.gz JGIYBQLSEKNEFW-APWZRJJASA-N 1 0 386.452 2.317 20 5 GEBDRO COc1cc(C)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164864044 721080123 /nfs/dbraw/zinc/08/01/23/721080123.db2.gz DQLQMKIEWXHFJA-SJORKVTESA-N 1 0 399.451 2.182 20 5 GEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164764268 721090573 /nfs/dbraw/zinc/09/05/73/721090573.db2.gz HCWQTRJGSAVCQD-KGLIPLIRSA-N 1 0 391.863 2.038 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc([N+](=O)[O-])c5cc[nH]c5n4)C[C@@H]3C2)cn1 ZINC001164771830 721170051 /nfs/dbraw/zinc/17/00/51/721170051.db2.gz RCESHAQWMWMFDE-CABCVRRESA-N 1 0 381.440 2.163 20 5 GEBDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001165008814 721729998 /nfs/dbraw/zinc/72/99/98/721729998.db2.gz RMULSZACBJNTMM-UHFFFAOYSA-N 1 0 381.864 2.166 20 5 GEBDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001164920952 721849563 /nfs/dbraw/zinc/84/95/63/721849563.db2.gz MCUQBPBAQSRSAM-OLZOCXBDSA-N 1 0 389.834 2.403 20 5 GEBDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001164920951 721849607 /nfs/dbraw/zinc/84/96/07/721849607.db2.gz MCUQBPBAQSRSAM-CHWSQXEVSA-N 1 0 389.834 2.403 20 5 GEBDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001164934371 721877541 /nfs/dbraw/zinc/87/75/41/721877541.db2.gz QVBGUXCPQHQVKE-RBUKOAKNSA-N 1 0 382.468 2.266 20 5 GEBDRO C[NH+](C)CCOCc1ncn2c1CN(c1ncc(Cl)cc1[N+](=O)[O-])CCC2 ZINC001164999581 722250858 /nfs/dbraw/zinc/25/08/58/722250858.db2.gz CSLFADJYVNRCJO-UHFFFAOYSA-N 1 0 394.863 2.328 20 5 GEBDRO CSc1ccc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000008169615 531545653 /nfs/dbraw/zinc/54/56/53/531545653.db2.gz CNVIFAZFRLFXBA-UHFFFAOYSA-N 1 0 381.479 2.385 20 5 GEBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000157574181 531747852 /nfs/dbraw/zinc/74/78/52/531747852.db2.gz ILBTWLYFGKCTOK-PELKAZGASA-N 1 0 389.193 2.057 20 5 GEBDRO O=C(CN1CC[NH+](CC2CC2)CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000053236823 531758777 /nfs/dbraw/zinc/75/87/77/531758777.db2.gz XJRNEMQYSKNTBJ-UHFFFAOYSA-N 1 0 397.273 2.323 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3ccc(Br)cc3)CC2)c1 ZINC000173273508 532001631 /nfs/dbraw/zinc/00/16/31/532001631.db2.gz KOSUYTZCRGWAQD-CQSZACIVSA-N 1 0 381.230 2.194 20 5 GEBDRO Cc1c(Br)cc(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000122194981 532061115 /nfs/dbraw/zinc/06/11/15/532061115.db2.gz VGAXHLJOHGHYRB-LLVKDONJSA-N 1 0 399.289 2.031 20 5 GEBDRO C[N@@H+](Cc1csc(Br)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174752371 532076946 /nfs/dbraw/zinc/07/69/46/532076946.db2.gz GBVFVTUESHWLSY-NSHDSACASA-N 1 0 375.248 2.108 20 5 GEBDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000185234836 532337342 /nfs/dbraw/zinc/33/73/42/532337342.db2.gz UFJZHYOWGSAIBG-UHFFFAOYSA-N 1 0 392.275 2.072 20 5 GEBDRO CS(=O)(=O)N1CC(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000189685127 532353241 /nfs/dbraw/zinc/35/32/41/532353241.db2.gz NIWLDWLTIIOFQB-UHFFFAOYSA-N 1 0 381.479 2.304 20 5 GEBDRO Cc1cc(S(=O)(=O)NCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000590594316 532377338 /nfs/dbraw/zinc/37/73/38/532377338.db2.gz POAAJCIKPAJOBN-UHFFFAOYSA-N 1 0 383.495 2.384 20 5 GEBDRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000277995423 532368627 /nfs/dbraw/zinc/36/86/27/532368627.db2.gz UVQGPZNPACRSQR-GFCCVEGCSA-N 1 0 391.877 2.027 20 5 GEBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000591669565 532418113 /nfs/dbraw/zinc/41/81/13/532418113.db2.gz ZBXVHESEVXFCGI-SECBINFHSA-N 1 0 389.193 2.071 20 5 GEBDRO CC[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592382863 532452852 /nfs/dbraw/zinc/45/28/52/532452852.db2.gz SUNGHKBHFJEQNT-KOLCDFICSA-N 1 0 381.376 2.362 20 5 GEBDRO CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000592382161 532453414 /nfs/dbraw/zinc/45/34/14/532453414.db2.gz KJXWPTJNKUHCSL-SKDRFNHKSA-N 1 0 381.376 2.362 20 5 GEBDRO C[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000374253184 532496105 /nfs/dbraw/zinc/49/61/05/532496105.db2.gz FXYPGVBTXHQATE-GFCCVEGCSA-N 1 0 398.305 2.357 20 5 GEBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)[C@@H](C)C[NH2+]1 ZINC000237640254 532509172 /nfs/dbraw/zinc/50/91/72/532509172.db2.gz RMBPIDUXNGJKIQ-IUCAKERBSA-N 1 0 389.193 2.022 20 5 GEBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000236835097 532498288 /nfs/dbraw/zinc/49/82/88/532498288.db2.gz UTIFSEQNQPFYHG-CYBMUJFWSA-N 1 0 391.209 2.303 20 5 GEBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@@H]1CCC[C@H]1O ZINC000246532178 532540571 /nfs/dbraw/zinc/54/05/71/532540571.db2.gz KZIQZNRVMFJVKJ-IINYFYTJSA-N 1 0 386.246 2.389 20 5 GEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000375746014 532581626 /nfs/dbraw/zinc/58/16/26/532581626.db2.gz SNEFENKRMAHXBQ-CYBMUJFWSA-N 1 0 381.479 2.457 20 5 GEBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)CC[NH2+]1 ZINC000262932318 532608463 /nfs/dbraw/zinc/60/84/63/532608463.db2.gz SUPDAMACRVDBDO-RKDXNWHRSA-N 1 0 389.193 2.070 20 5 GEBDRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000597693121 532624863 /nfs/dbraw/zinc/62/48/63/532624863.db2.gz BFBQLIFHXVAPMX-HUUCEWRRSA-N 1 0 398.257 2.293 20 5 GEBDRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597695121 532624866 /nfs/dbraw/zinc/62/48/66/532624866.db2.gz QKZNCBUOIOFMKN-HUUCEWRRSA-N 1 0 398.257 2.293 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000566972841 532634280 /nfs/dbraw/zinc/63/42/80/532634280.db2.gz BDZKIEXPHCPHLP-HTQZYQBOSA-N 1 0 380.264 2.070 20 5 GEBDRO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000567111360 532641505 /nfs/dbraw/zinc/64/15/05/532641505.db2.gz XICFFGRPEZUNBJ-TXEJJXNPSA-N 1 0 397.273 2.227 20 5 GEBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H](O)c1cccc(Br)c1 ZINC000298473246 532652724 /nfs/dbraw/zinc/65/27/24/532652724.db2.gz SJTYMYLRFOUEGN-HNNXBMFYSA-N 1 0 396.241 2.184 20 5 GEBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)c1 ZINC000567898969 532670372 /nfs/dbraw/zinc/67/03/72/532670372.db2.gz JITHRHDGRGIAJJ-NSHDSACASA-N 1 0 392.275 2.168 20 5 GEBDRO CC[NH+](CC)CCNS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000439243118 532686880 /nfs/dbraw/zinc/68/68/80/532686880.db2.gz BMQDCNOPBXVRGC-UHFFFAOYSA-N 1 0 394.291 2.286 20 5 GEBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000603401218 532693907 /nfs/dbraw/zinc/69/39/07/532693907.db2.gz JOQOESMSZKRLBN-LLVKDONJSA-N 1 0 385.262 2.442 20 5 GEBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000603402089 532694612 /nfs/dbraw/zinc/69/46/12/532694612.db2.gz MFPICBZJLSMADP-NSHDSACASA-N 1 0 385.262 2.442 20 5 GEBDRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000569293186 532695535 /nfs/dbraw/zinc/69/55/35/532695535.db2.gz TZHLWHBVZHFXHI-UHFFFAOYSA-N 1 0 391.515 2.086 20 5 GEBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378320578 532690697 /nfs/dbraw/zinc/69/06/97/532690697.db2.gz UZHBRNGIIROANE-SWLSCSKDSA-N 1 0 398.305 2.215 20 5 GEBDRO C[C@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000440345493 532709936 /nfs/dbraw/zinc/70/99/36/532709936.db2.gz YXMGVAQLCLIQQN-UWVGGRQHSA-N 1 0 392.275 2.024 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000440424985 532713472 /nfs/dbraw/zinc/71/34/72/532713472.db2.gz GOPTVCBZZRDZOT-UFBFGSQYSA-N 1 0 392.275 2.024 20 5 GEBDRO CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440431265 532714332 /nfs/dbraw/zinc/71/43/32/532714332.db2.gz IGHGFDKPYVYAMB-SECBINFHSA-N 1 0 380.264 2.009 20 5 GEBDRO C[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000440447043 532714962 /nfs/dbraw/zinc/71/49/62/532714962.db2.gz YRWILVVJUGXTAS-CABZTGNLSA-N 1 0 392.275 2.105 20 5 GEBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1I)C1CC1 ZINC000299678035 532734885 /nfs/dbraw/zinc/73/48/85/532734885.db2.gz QZGZDTHRDBZKSP-UHFFFAOYSA-N 1 0 389.193 2.023 20 5 GEBDRO C[C@H]1C[N@@H+](C2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)CCO1 ZINC000301629781 532756245 /nfs/dbraw/zinc/75/62/45/532756245.db2.gz AZXPFMUTLVSXJE-NSHDSACASA-N 1 0 385.262 2.442 20 5 GEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1SC ZINC000270412606 532797751 /nfs/dbraw/zinc/79/77/51/532797751.db2.gz BLLAAZKAQGOFGQ-IUODEOHRSA-N 1 0 385.511 2.443 20 5 GEBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000359974496 212128684 /nfs/dbraw/zinc/12/86/84/212128684.db2.gz OXHQZHBTZVUOBL-UXHICEINSA-N 1 0 394.431 2.375 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCSCCCO)c1 ZINC000289421574 532854078 /nfs/dbraw/zinc/85/40/78/532854078.db2.gz CPIGPDXGZRCGDS-UHFFFAOYSA-N 1 0 396.250 2.405 20 5 GEBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416386529 532874392 /nfs/dbraw/zinc/87/43/92/532874392.db2.gz ICQOYGGAGSJCBS-NSHDSACASA-N 1 0 381.376 2.328 20 5 GEBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000416408197 532876466 /nfs/dbraw/zinc/87/64/66/532876466.db2.gz OOSBHBWKQZCIAH-MWLCHTKSSA-N 1 0 381.376 2.375 20 5 GEBDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000290759382 532888593 /nfs/dbraw/zinc/88/85/93/532888593.db2.gz NJKBXFZCCOUAEK-NXEZZACHSA-N 1 0 379.841 2.491 20 5 GEBDRO CN1CC[NH+](C[C@@H]2CCCN(c3ncc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000361812102 532894475 /nfs/dbraw/zinc/89/44/75/532894475.db2.gz JHNMJVDDBWLKSL-ZDUSSCGKSA-N 1 0 398.305 2.216 20 5 GEBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1I ZINC000364177040 532904436 /nfs/dbraw/zinc/90/44/36/532904436.db2.gz PWETUGAMJONJRU-VIFPVBQESA-N 1 0 389.193 2.071 20 5 GEBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CCN1C1CC[NH+](C)CC1 ZINC000364379917 532906465 /nfs/dbraw/zinc/90/64/65/532906465.db2.gz GWSUTQQRDXOFSG-GFCCVEGCSA-N 1 0 398.305 2.357 20 5 GEBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CCN1C1CC[NH+](C)CC1 ZINC000364379918 532906535 /nfs/dbraw/zinc/90/65/35/532906535.db2.gz GWSUTQQRDXOFSG-LBPRGKRZSA-N 1 0 398.305 2.357 20 5 GEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000371696835 532949385 /nfs/dbraw/zinc/94/93/85/532949385.db2.gz QGJUMGMIXLFSCP-STQMWFEESA-N 1 0 385.873 2.320 20 5 GEBDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000736132919 598961115 /nfs/dbraw/zinc/96/11/15/598961115.db2.gz PPGGJALURZNSSE-SJCJKPOMSA-N 1 0 393.407 2.231 20 5 GEBDRO CC[NH+](CC)[C@@H]1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821180344 599095941 /nfs/dbraw/zinc/09/59/41/599095941.db2.gz BRLQZHJCHUSWCU-CYBMUJFWSA-N 1 0 382.428 2.244 20 5 GEBDRO CC[NH+]1CCN(c2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)cc2)CC1 ZINC000821276775 599130637 /nfs/dbraw/zinc/13/06/37/599130637.db2.gz NHSKIBWYIHLVIE-UHFFFAOYSA-N 1 0 395.427 2.055 20 5 GEBDRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1c1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821625257 599538676 /nfs/dbraw/zinc/53/86/76/599538676.db2.gz JJDYSTJIMSSSHG-IRXDYDNUSA-N 1 0 394.439 2.386 20 5 GEBDRO CC(C)OCC[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000820146986 606164316 /nfs/dbraw/zinc/16/43/16/606164316.db2.gz WQYGNWMFNDIVQY-UHFFFAOYSA-N 1 0 375.433 2.076 20 5 GEBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000823620734 606704213 /nfs/dbraw/zinc/70/42/13/606704213.db2.gz PFEAIXVDTZUURI-HNNXBMFYSA-N 1 0 394.439 2.494 20 5 GEBDRO C[C@@H](CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000820240011 606714902 /nfs/dbraw/zinc/71/49/02/606714902.db2.gz BKLWDAMGUISKRD-ZDUSSCGKSA-N 1 0 382.428 2.492 20 5 GEBDRO Cc1nc(N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)ccc1[N+](=O)[O-] ZINC000822449587 606719906 /nfs/dbraw/zinc/71/99/06/606719906.db2.gz FSPQHSRVANYMNL-UHFFFAOYSA-N 1 0 382.428 2.047 20 5 GEBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1C[NH+]2CCC1CC2 ZINC000446059277 649969938 /nfs/dbraw/zinc/96/99/38/649969938.db2.gz DVVXCALFTYKCRJ-HNNXBMFYSA-N 1 0 382.258 2.452 20 5 GEBDRO Cc1cnc(N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c([N+](=O)[O-])c1 ZINC000822395134 607114918 /nfs/dbraw/zinc/11/49/18/607114918.db2.gz SDBXBOXTYNRUES-UHFFFAOYSA-N 1 0 382.428 2.047 20 5 GEBDRO O=C(CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407530 607943073 /nfs/dbraw/zinc/94/30/73/607943073.db2.gz QLOBHEQJLOTFND-UHFFFAOYSA-N 1 0 393.407 2.162 20 5 GEBDRO O=C(CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407404 607943271 /nfs/dbraw/zinc/94/32/71/607943271.db2.gz MBEPCXMAHLQCFJ-UHFFFAOYSA-N 1 0 393.407 2.162 20 5 GEBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c([N+](=O)[O-])c1 ZINC000826209769 608469697 /nfs/dbraw/zinc/46/96/97/608469697.db2.gz PMMHYZAJZPHXPC-NSHDSACASA-N 1 0 397.395 2.073 20 5 GEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000826498397 608509668 /nfs/dbraw/zinc/50/96/68/608509668.db2.gz SOMSJWDFRZCICW-MSOLQXFVSA-N 1 0 380.408 2.476 20 5 GEBDRO CC[C@H]([NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000825141376 608552094 /nfs/dbraw/zinc/55/20/94/608552094.db2.gz NZBJRHVKWJFUEQ-INIZCTEOSA-N 1 0 381.396 2.454 20 5 GEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000826283509 608554274 /nfs/dbraw/zinc/55/42/74/608554274.db2.gz SPJODHSVZGLWPP-CZUORRHYSA-N 1 0 398.423 2.174 20 5 GEBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824584638 608564022 /nfs/dbraw/zinc/56/40/22/608564022.db2.gz CYGWBXCAZLUWFQ-GFCCVEGCSA-N 1 0 381.396 2.454 20 5 GEBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c(F)c1 ZINC000826498020 609339076 /nfs/dbraw/zinc/33/90/76/609339076.db2.gz DKOMCPLYQHGUJW-UHFFFAOYSA-N 1 0 398.402 2.068 20 5 GEBDRO [NH3+]C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CCCC1 ZINC000447243450 650002946 /nfs/dbraw/zinc/00/29/46/650002946.db2.gz HDASYPXOIVJINY-GFCCVEGCSA-N 1 0 392.275 2.153 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000447246333 650003315 /nfs/dbraw/zinc/00/33/15/650003315.db2.gz OSGLWBGEYUSUNM-WPRPVWTQSA-N 1 0 392.275 2.024 20 5 GEBDRO [NH3+]C[C@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000447249159 650003694 /nfs/dbraw/zinc/00/36/94/650003694.db2.gz UDRDPCGZIMPPLV-ZDUSSCGKSA-N 1 0 392.275 2.153 20 5 GEBDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449207752 650034353 /nfs/dbraw/zinc/03/43/53/650034353.db2.gz QDPWNQYPNHHIHR-GFCCVEGCSA-N 1 0 383.495 2.464 20 5 GEBDRO CC[NH+]1CCN([C@@H](C)CNc2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000543450057 650422877 /nfs/dbraw/zinc/42/28/77/650422877.db2.gz YEBVCGMHRIBPJG-NSHDSACASA-N 1 0 386.294 2.499 20 5 GEBDRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000512860853 650555413 /nfs/dbraw/zinc/55/54/13/650555413.db2.gz KVVCQPPJKJKKEZ-WFASDCNBSA-N 1 0 375.878 2.446 20 5 GEBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000049558830 642669111 /nfs/dbraw/zinc/66/91/11/642669111.db2.gz BENSXCFCFHJJDR-SECBINFHSA-N 1 0 391.209 2.269 20 5 GEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000116922492 643477295 /nfs/dbraw/zinc/47/72/95/643477295.db2.gz JBKHZPXCWVZFRV-UHFFFAOYSA-N 1 0 387.820 2.455 20 5 GEBDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000123523698 643672752 /nfs/dbraw/zinc/67/27/52/643672752.db2.gz LMKBHOUUTQEJRR-UHFFFAOYSA-N 1 0 394.291 2.318 20 5 GEBDRO CC[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000161587165 644213196 /nfs/dbraw/zinc/21/31/96/644213196.db2.gz LVTLGJQXZWXTQC-UHFFFAOYSA-N 1 0 381.376 2.376 20 5 GEBDRO CC[NH+]1CCN(CCCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000162068489 644231184 /nfs/dbraw/zinc/23/11/84/644231184.db2.gz AEFFYVFXIBSAKI-UHFFFAOYSA-N 1 0 399.289 2.115 20 5 GEBDRO C[C@H](CSC(C)(C)C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000180940141 644519372 /nfs/dbraw/zinc/51/93/72/644519372.db2.gz KVPXODRYJRRLFV-GFCCVEGCSA-N 1 0 375.516 2.383 20 5 GEBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000193616461 645290473 /nfs/dbraw/zinc/29/04/73/645290473.db2.gz OSGYJZDELLDPRH-UHFFFAOYSA-N 1 0 392.275 2.122 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCC[NH2+]Cc1cccnc1 ZINC000237768145 645439738 /nfs/dbraw/zinc/43/97/38/645439738.db2.gz JAGNECJSYSSDQE-UHFFFAOYSA-N 1 0 384.845 2.101 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261788659 645600216 /nfs/dbraw/zinc/60/02/16/645600216.db2.gz NKMDSOMZKMOTCV-ZDUSSCGKSA-N 1 0 392.275 2.025 20 5 GEBDRO COc1cc[nH+]c(N2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)c1 ZINC000267257690 645893169 /nfs/dbraw/zinc/89/31/69/645893169.db2.gz PQFVPYHQEFWYSI-UHFFFAOYSA-N 1 0 394.229 2.483 20 5 GEBDRO CSCC[C@@H]([NH3+])C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000269054134 646012149 /nfs/dbraw/zinc/01/21/49/646012149.db2.gz RIVLMMKBYKUKFN-SNVBAGLBSA-N 1 0 380.392 2.222 20 5 GEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)CC[C@H]1[NH3+] ZINC000269217739 646023130 /nfs/dbraw/zinc/02/31/30/646023130.db2.gz QABIEFCIHNEHAU-PRHODGIISA-N 1 0 389.193 2.009 20 5 GEBDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000269332823 646027198 /nfs/dbraw/zinc/02/71/98/646027198.db2.gz CMYSLPWFPNHANP-LLVKDONJSA-N 1 0 392.275 2.072 20 5 GEBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1I ZINC000364574307 647636685 /nfs/dbraw/zinc/63/66/85/647636685.db2.gz DIDIGCWBNAXICC-VIFPVBQESA-N 1 0 389.193 2.071 20 5 GEBDRO O=C(c1ccc([N+](=O)[O-])cc1I)N1CCn2cncc2C1 ZINC000365716935 647682030 /nfs/dbraw/zinc/68/20/30/647682030.db2.gz DUVATCGNQJLTJR-UHFFFAOYSA-N 1 0 398.160 2.052 20 5 GEBDRO O=[N+]([O-])c1cncc(I)c1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000418853259 648317857 /nfs/dbraw/zinc/31/78/57/648317857.db2.gz RXCKJGJDIASJGI-VHSXEESVSA-N 1 0 388.209 2.055 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000420463228 648418317 /nfs/dbraw/zinc/41/83/17/648418317.db2.gz RGJYELYLQOKLPH-UONOGXRCSA-N 1 0 381.841 2.282 20 5 GEBDRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000420465863 648418602 /nfs/dbraw/zinc/41/86/02/648418602.db2.gz QOQMKIKMZVMLAR-GFCCVEGCSA-N 1 0 392.275 2.024 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422554213 648558784 /nfs/dbraw/zinc/55/87/84/648558784.db2.gz LXHODOOIJNHWGY-UHFFFAOYSA-N 1 0 380.253 2.418 20 5 GEBDRO C[C@H]([NH3+])C1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000430934611 648770520 /nfs/dbraw/zinc/77/05/20/648770520.db2.gz PTDRGHDQEJJXHD-JTQLQIEISA-N 1 0 385.262 2.355 20 5 GEBDRO O=C(C[NH2+][C@@H](CO)C1CCCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000566766799 651611662 /nfs/dbraw/zinc/61/16/62/651611662.db2.gz GPBIBFSXWZIDMB-AWEZNQCLSA-N 1 0 386.246 2.437 20 5 GEBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CCC[NH3+] ZINC000567612290 651629840 /nfs/dbraw/zinc/62/98/40/651629840.db2.gz HWYZXHZPWLYQPC-QMMMGPOBSA-N 1 0 391.209 2.365 20 5 GEBDRO C[NH+](C)CC1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000731974658 651641240 /nfs/dbraw/zinc/64/12/40/651641240.db2.gz CGCZLLIYROPXLK-UHFFFAOYSA-N 1 0 377.413 2.369 20 5 GEBDRO Cc1cc(Br)cc(C)c1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000571634261 651844990 /nfs/dbraw/zinc/84/49/90/651844990.db2.gz LIFIMJHMMBCIHI-CQSZACIVSA-N 1 0 383.246 2.321 20 5 GEBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000577482064 652191411 /nfs/dbraw/zinc/19/14/11/652191411.db2.gz ARHYQPWWZHLYAY-KCJUWKMLSA-N 1 0 389.193 2.057 20 5 GEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000577482065 652191709 /nfs/dbraw/zinc/19/17/09/652191709.db2.gz ARHYQPWWZHLYAY-KWQFWETISA-N 1 0 389.193 2.057 20 5 GEBDRO C[NH+](C)CCn1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)n1 ZINC000748515962 652205668 /nfs/dbraw/zinc/20/56/68/652205668.db2.gz AZHILBUSLXVJSR-UHFFFAOYSA-N 1 0 382.218 2.368 20 5 GEBDRO Cc1nc(-c2ccc(C[NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)s2)cs1 ZINC000580692651 652388580 /nfs/dbraw/zinc/38/85/80/652388580.db2.gz CWRIFQUXSISZPX-LBPRGKRZSA-N 1 0 379.467 2.435 20 5 GEBDRO CS(=O)(=O)c1ccc(N(CC[NH3+])Cc2ncc(Cl)s2)c([N+](=O)[O-])c1 ZINC000582328171 652445660 /nfs/dbraw/zinc/44/56/60/652445660.db2.gz OIJPZMOSZVYXFM-UHFFFAOYSA-N 1 0 390.874 2.074 20 5 GEBDRO C[C@H](Cc1cccc(Br)c1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000582763971 652461968 /nfs/dbraw/zinc/46/19/68/652461968.db2.gz LNKMEYFVCFSXGC-IAQYHMDHSA-N 1 0 383.246 2.136 20 5 GEBDRO C[C@H](Cc1cccc(Br)c1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000582763970 652462056 /nfs/dbraw/zinc/46/20/56/652462056.db2.gz LNKMEYFVCFSXGC-ABAIWWIYSA-N 1 0 383.246 2.136 20 5 GEBDRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000758056568 652529623 /nfs/dbraw/zinc/52/96/23/652529623.db2.gz NFWRGUQTJGILKQ-UHFFFAOYSA-N 1 0 375.878 2.400 20 5 GEBDRO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000595413990 652725270 /nfs/dbraw/zinc/72/52/70/652725270.db2.gz YZKJPPZGVIFBIN-NSHDSACASA-N 1 0 381.376 2.232 20 5 GEBDRO CSC1(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)CC[NH+](C)CC1 ZINC000598615376 652824788 /nfs/dbraw/zinc/82/47/88/652824788.db2.gz XRCCBPCUCYNPQT-UHFFFAOYSA-N 1 0 387.527 2.317 20 5 GEBDRO C[NH2+]CCOCCN(C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000599606556 652880008 /nfs/dbraw/zinc/88/00/08/652880008.db2.gz NNLWZSXUTUPEHJ-UHFFFAOYSA-N 1 0 389.250 2.365 20 5 GEBDRO CS[C@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000599721713 652885623 /nfs/dbraw/zinc/88/56/23/652885623.db2.gz QEFRMWRCOHZLDM-RYUDHWBXSA-N 1 0 388.287 2.475 20 5 GEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000599972370 652895293 /nfs/dbraw/zinc/89/52/93/652895293.db2.gz YIYOZZROPXNOJZ-UONOGXRCSA-N 1 0 398.257 2.293 20 5 GEBDRO CN(CC(=O)NCC[NH2+]C(C)(C)C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000806902192 653177971 /nfs/dbraw/zinc/17/79/71/653177971.db2.gz SKUDIKNPYXUBKC-UHFFFAOYSA-N 1 0 387.278 2.298 20 5 GEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000602838745 653209451 /nfs/dbraw/zinc/20/94/51/653209451.db2.gz HHSZHDGYGTVBFP-ZDUSSCGKSA-N 1 0 387.209 2.325 20 5 GEBDRO C[NH+]1CCC(ONC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000808024717 653215338 /nfs/dbraw/zinc/21/53/38/653215338.db2.gz OMYCVPLTFLICTN-UHFFFAOYSA-N 1 0 376.182 2.252 20 5 GEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000774438361 653237302 /nfs/dbraw/zinc/23/73/02/653237302.db2.gz VRUPTHQOPNUWAL-LLVKDONJSA-N 1 0 385.262 2.460 20 5 GEBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000809806803 653296553 /nfs/dbraw/zinc/29/65/53/653296553.db2.gz HFERRLQBXLSWOV-UHFFFAOYSA-N 1 0 379.841 2.492 20 5 GEBDRO CC[NH+](CC)CCOCCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809831407 653306315 /nfs/dbraw/zinc/30/63/15/653306315.db2.gz UQJFTFVLECQCOC-UHFFFAOYSA-N 1 0 397.856 2.024 20 5 GEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000700967845 653318597 /nfs/dbraw/zinc/31/85/97/653318597.db2.gz VGRZQLUSMIVTOF-DTWKUNHWSA-N 1 0 389.193 2.057 20 5 GEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000813741038 653613892 /nfs/dbraw/zinc/61/38/92/653613892.db2.gz NFUMIOVIBCBWPG-UFBFGSQYSA-N 1 0 380.253 2.226 20 5 GEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815018633 653644182 /nfs/dbraw/zinc/64/41/82/653644182.db2.gz WDNLOPINAYLMCW-BXKDBHETSA-N 1 0 379.841 2.348 20 5 GEBDRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])C2)C1 ZINC000815065971 653649242 /nfs/dbraw/zinc/64/92/42/653649242.db2.gz UHKYRNSORCJQNX-HNNXBMFYSA-N 1 0 391.852 2.494 20 5 GEBDRO O=[N+]([O-])c1cccc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1Br ZINC000839481965 653650970 /nfs/dbraw/zinc/65/09/70/653650970.db2.gz VVBFWBCPKZLXID-DZGCQCFKSA-N 1 0 384.274 2.388 20 5 GEBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCC1 ZINC000782483990 653662350 /nfs/dbraw/zinc/66/23/50/653662350.db2.gz TVJNSVYKLPOZRY-UHFFFAOYSA-N 1 0 392.275 2.120 20 5 GEBDRO [NH3+]Cc1cn([C@@H]2CCCN(Cc3c(Br)cccc3[N+](=O)[O-])C2)nn1 ZINC000841099050 653706333 /nfs/dbraw/zinc/70/63/33/653706333.db2.gz CFIRZAYOZYWKKQ-GFCCVEGCSA-N 1 0 395.261 2.245 20 5 GEBDRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCCCC1 ZINC000841146872 653707924 /nfs/dbraw/zinc/70/79/24/653707924.db2.gz ZFEOBYMMDQMPIO-UHFFFAOYSA-N 1 0 399.245 2.074 20 5 GEBDRO CN(C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CCC([NH3+])CC1 ZINC000841188149 653709685 /nfs/dbraw/zinc/70/96/85/653709685.db2.gz GIRUBPQOKYCLKE-UHFFFAOYSA-N 1 0 399.245 2.024 20 5 GEBDRO CC(C)[C@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841234660 653711737 /nfs/dbraw/zinc/71/17/37/653711737.db2.gz RLKSMCNUNIQIQF-SNVBAGLBSA-N 1 0 392.197 2.304 20 5 GEBDRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000841516413 653725139 /nfs/dbraw/zinc/72/51/39/653725139.db2.gz ZAWPLTDFRAAZAN-SNVBAGLBSA-N 1 0 381.376 2.376 20 5 GEBDRO CCC[NH2+]CCNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841962290 653742987 /nfs/dbraw/zinc/74/29/87/653742987.db2.gz ZACHZOZHNRDGHJ-UHFFFAOYSA-N 1 0 385.262 2.425 20 5 GEBDRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000842482633 653757849 /nfs/dbraw/zinc/75/78/49/653757849.db2.gz CWVNRZRQWSPFAL-LBPRGKRZSA-N 1 0 392.275 2.024 20 5 GEBDRO C[C@]1(CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000842827899 653770048 /nfs/dbraw/zinc/77/00/48/653770048.db2.gz UOTOFBSDSDTQSB-ZDUSSCGKSA-N 1 0 392.275 2.025 20 5 GEBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843485887 653788166 /nfs/dbraw/zinc/78/81/66/653788166.db2.gz VTVOUUPFOLEYDH-VIFPVBQESA-N 1 0 382.136 2.223 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c(C(F)(F)F)c1 ZINC000866827281 653834074 /nfs/dbraw/zinc/83/40/74/653834074.db2.gz KPICAUGDFJXASQ-NWDGAFQWSA-N 1 0 379.360 2.129 20 5 GEBDRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000883474326 653841546 /nfs/dbraw/zinc/84/15/46/653841546.db2.gz KQLOAWLZDMOIAD-LLVKDONJSA-N 1 0 381.376 2.376 20 5 GEBDRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000883474217 653841660 /nfs/dbraw/zinc/84/16/60/653841660.db2.gz GLRQPWWQEJMHET-SNVBAGLBSA-N 1 0 392.275 2.120 20 5 GEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000867308665 653912887 /nfs/dbraw/zinc/91/28/87/653912887.db2.gz MOIUFNFEQIAVBD-SKDRFNHKSA-N 1 0 392.275 2.070 20 5 GEBDRO CN(CC(=O)NCC[NH+]1CCCC1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000794822294 653921366 /nfs/dbraw/zinc/92/13/66/653921366.db2.gz GXKXGWKCGJOEOX-UHFFFAOYSA-N 1 0 385.262 2.006 20 5 GEBDRO CN(CC(=O)N[C@H]1CCC[N@H+](C)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796186640 653990045 /nfs/dbraw/zinc/99/00/45/653990045.db2.gz OOIIUXBDPXKIND-LBPRGKRZSA-N 1 0 385.262 2.004 20 5 GEBDRO CN(CC(=O)NCCCC[NH+](C)C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796430729 653997779 /nfs/dbraw/zinc/99/77/79/653997779.db2.gz WBIKHSCJZVZDMO-UHFFFAOYSA-N 1 0 387.278 2.252 20 5 GEBDRO CN(CC(=O)NC[C@@H]1CCC[N@@H+]1C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796436836 653997793 /nfs/dbraw/zinc/99/77/93/653997793.db2.gz YOUVJGULEDOIPS-LBPRGKRZSA-N 1 0 385.262 2.004 20 5 GEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000828510141 654038871 /nfs/dbraw/zinc/03/88/71/654038871.db2.gz GYIYYQGDGLHLSA-SKDRFNHKSA-N 1 0 383.246 2.106 20 5 GEBDRO C[NH+](C)CC1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCC1 ZINC000798470956 654064974 /nfs/dbraw/zinc/06/49/74/654064974.db2.gz UEDWWWRNENBAHE-UHFFFAOYSA-N 1 0 392.275 2.120 20 5 GEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850492948 654079398 /nfs/dbraw/zinc/07/93/98/654079398.db2.gz UEGNJFCBNDMYOO-UXMMLNGASA-N 1 0 381.376 2.213 20 5 GEBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)C[C@@H]2C1 ZINC000916662166 654103953 /nfs/dbraw/zinc/10/39/53/654103953.db2.gz NAGUMHPXFDQZAS-ZJUUUORDSA-N 1 0 394.280 2.474 20 5 GEBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889744993 654166287 /nfs/dbraw/zinc/16/62/87/654166287.db2.gz QLBUUYLJAPHCSN-OLZOCXBDSA-N 1 0 398.257 2.029 20 5 GEBDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000851820517 654183230 /nfs/dbraw/zinc/18/32/30/654183230.db2.gz AWPPMGGHCPAAGR-JTQLQIEISA-N 1 0 392.275 2.120 20 5 GEBDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000851821623 654183794 /nfs/dbraw/zinc/18/37/94/654183794.db2.gz WAOXHZFIRDHTGK-JTQLQIEISA-N 1 0 392.275 2.120 20 5 GEBDRO CC(C)[N@H+](C)C[C@H](O)CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000852023114 654213821 /nfs/dbraw/zinc/21/38/21/654213821.db2.gz WANUFEQJRMMYGB-LBPRGKRZSA-N 1 0 386.290 2.417 20 5 GEBDRO Cc1ccc(N2CC[NH+](CCC(=O)N(C)C)CC2)c([N+](=O)[O-])c1Br ZINC000804554258 654313645 /nfs/dbraw/zinc/31/36/45/654313645.db2.gz UWWQTGDCFMMBLP-UHFFFAOYSA-N 1 0 399.289 2.266 20 5 GEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000854650143 654373258 /nfs/dbraw/zinc/37/32/58/654373258.db2.gz NUTAQWXNDYSTOR-DGCLKSJQSA-N 1 0 399.289 2.345 20 5 GEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cccc(F)c2I)c1 ZINC000873081715 654413416 /nfs/dbraw/zinc/41/34/16/654413416.db2.gz OPTJXQSOZUWBJW-UHFFFAOYSA-N 1 0 390.156 2.325 20 5 GEBDRO CCOCCOCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000922944915 654421183 /nfs/dbraw/zinc/42/11/83/654421183.db2.gz WJQRBSZCWJOUHD-UHFFFAOYSA-N 1 0 394.209 2.342 20 5 GEBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000906441610 654437683 /nfs/dbraw/zinc/43/76/83/654437683.db2.gz NNMVMNUHPDXRRX-ZDUSSCGKSA-N 1 0 398.257 2.340 20 5 GEBDRO O=C(C[NH+]1CCCC1)N1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856729305 654487501 /nfs/dbraw/zinc/48/75/01/654487501.db2.gz TUORYRYLIQBRJJ-UHFFFAOYSA-N 1 0 397.273 2.102 20 5 GEBDRO O=C(N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C12CC[NH+](CC1)C2 ZINC000908074369 654602590 /nfs/dbraw/zinc/60/25/90/654602590.db2.gz YJKSKDREBKRHKZ-UHFFFAOYSA-N 1 0 380.242 2.338 20 5 GEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000932907427 654793943 /nfs/dbraw/zinc/79/39/43/654793943.db2.gz DRWCIPGLDLEPFS-JTQLQIEISA-N 1 0 385.262 2.353 20 5 GEBDRO O=[N+]([O-])c1cc(CN2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)ccc1Br ZINC000934266658 654841649 /nfs/dbraw/zinc/84/16/49/654841649.db2.gz UDGYPRGCQBCKEC-LSDHHAIUSA-N 1 0 384.274 2.388 20 5 GEBDRO O=[N+]([O-])c1ccc(Br)c(CN2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC000934271284 654842202 /nfs/dbraw/zinc/84/22/02/654842202.db2.gz FCIOQOXPMODHNE-JKSUJKDBSA-N 1 0 384.274 2.388 20 5 GEBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000935553614 654899948 /nfs/dbraw/zinc/89/99/48/654899948.db2.gz PLFHRVVSTJJGDB-UHFFFAOYSA-N 1 0 385.262 2.496 20 5 GEBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC1 ZINC000935652401 654908116 /nfs/dbraw/zinc/90/81/16/654908116.db2.gz OZHSLVFQWFETBM-NSHDSACASA-N 1 0 385.262 2.496 20 5 GEBDRO CSc1nc(Cl)nc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001164727988 720517057 /nfs/dbraw/zinc/51/70/57/720517057.db2.gz HSOXEEYAMZNEIQ-JTQLQIEISA-N 1 0 397.892 2.155 20 5 GEBDRO O=[N+]([O-])c1ccc2ncnc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2c1 ZINC001164727338 720561634 /nfs/dbraw/zinc/56/16/34/720561634.db2.gz FAPBTSYESDVXFU-UHFFFAOYSA-N 1 0 393.451 2.393 20 5 GEBDRO O=[N+]([O-])c1cc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc2[nH]ccc21 ZINC001164730497 720573490 /nfs/dbraw/zinc/57/34/90/720573490.db2.gz WQBRVLMIPZYGPK-UHFFFAOYSA-N 1 0 381.440 2.326 20 5 GEBDRO Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)ncc1[N+](=O)[O-] ZINC001164841546 720634456 /nfs/dbraw/zinc/63/44/56/720634456.db2.gz SSBRTWMWXCDLQU-YESZJQIVSA-N 1 0 385.472 2.268 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(Cl)cc([N+](=O)[O-])n4)C[C@@H]3C2)cn1 ZINC001164761710 721109679 /nfs/dbraw/zinc/10/96/79/721109679.db2.gz APLHYQJOQFLDSU-KBPBESRZSA-N 1 0 376.848 2.335 20 5 GEBDRO COc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164909312 721527911 /nfs/dbraw/zinc/52/79/11/721527911.db2.gz RHIKPOAVSLEBJU-ZBFHGGJFSA-N 1 0 388.399 2.479 20 5 GEBDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164930719 721856669 /nfs/dbraw/zinc/85/66/69/721856669.db2.gz SIQJJERMYSIOOU-JKSUJKDBSA-N 1 0 390.875 2.406 20 5 GEBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980666 722105974 /nfs/dbraw/zinc/10/59/74/722105974.db2.gz JWGAQTAMWYHODY-QAPCUYQASA-N 1 0 387.415 2.251 20 5 GEBDRO COC1CC[NH+](CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000123764585 532107596 /nfs/dbraw/zinc/10/75/96/532107596.db2.gz ZGQLSORCGWJFFF-UHFFFAOYSA-N 1 0 386.246 2.198 20 5 GEBDRO Cc1sc(S(=O)(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000125519487 532137078 /nfs/dbraw/zinc/13/70/78/532137078.db2.gz QPBFFIZFJJFZSD-VXGBXAGGSA-N 1 0 391.515 2.132 20 5 GEBDRO Cc1sc(S(=O)(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000125519645 532137217 /nfs/dbraw/zinc/13/72/17/532137217.db2.gz QPBFFIZFJJFZSD-RYUDHWBXSA-N 1 0 391.515 2.132 20 5 GEBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000176627891 532143876 /nfs/dbraw/zinc/14/38/76/532143876.db2.gz MTLVZCXZVCGWTI-LBPRGKRZSA-N 1 0 375.878 2.352 20 5 GEBDRO Cc1nc(C)c([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000178000554 532189812 /nfs/dbraw/zinc/18/98/12/532189812.db2.gz JGTJUJIRVDUWTF-SNVBAGLBSA-N 1 0 384.483 2.297 20 5 GEBDRO C[N@@H+]1CC[C@H](Cn2nnnc2Sc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000131959565 532207822 /nfs/dbraw/zinc/20/78/22/532207822.db2.gz FCSIACRXTFVBQE-VIFPVBQESA-N 1 0 399.274 2.447 20 5 GEBDRO CC(C)(COc1ncccc1Br)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000181514520 532300482 /nfs/dbraw/zinc/30/04/82/532300482.db2.gz DEPQFLCBCSXULW-UHFFFAOYSA-N 1 0 384.234 2.396 20 5 GEBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000184300936 532331673 /nfs/dbraw/zinc/33/16/73/532331673.db2.gz IQULFRCAFAROIK-LBPRGKRZSA-N 1 0 399.289 2.113 20 5 GEBDRO C[N@@H+]1C[C@H]2CCN(Cc3cc(I)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000590011948 532365664 /nfs/dbraw/zinc/36/56/64/532365664.db2.gz NLKKLRNJLROPDX-RISCZKNCSA-N 1 0 387.221 2.335 20 5 GEBDRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000193334534 532420655 /nfs/dbraw/zinc/42/06/55/532420655.db2.gz MXXZMIQVAXUAMI-JTQLQIEISA-N 1 0 392.275 2.038 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000427929071 532438133 /nfs/dbraw/zinc/43/81/33/532438133.db2.gz FJRDOABYDWIYBQ-VIFPVBQESA-N 1 0 394.291 2.462 20 5 GEBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000592331124 532450532 /nfs/dbraw/zinc/45/05/32/532450532.db2.gz ISEKAEYRYKPCSX-MNOVXSKESA-N 1 0 389.193 2.199 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000592381508 532453281 /nfs/dbraw/zinc/45/32/81/532453281.db2.gz ROVRSRYOTXYLKK-LDYMZIIASA-N 1 0 380.253 2.274 20 5 GEBDRO CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000592382159 532453758 /nfs/dbraw/zinc/45/37/58/532453758.db2.gz KJXWPTJNKUHCSL-CABZTGNLSA-N 1 0 381.376 2.362 20 5 GEBDRO C[N@@H+]1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2Br)CC1(C)C ZINC000282626888 532483441 /nfs/dbraw/zinc/48/34/41/532483441.db2.gz SAWKFGOKSULYKO-UHFFFAOYSA-N 1 0 399.289 2.113 20 5 GEBDRO CC(C)(CCC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000431026816 532504467 /nfs/dbraw/zinc/50/44/67/532504467.db2.gz GKDUQAUCSWFAQO-UHFFFAOYSA-N 1 0 380.264 2.153 20 5 GEBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000238042680 532516601 /nfs/dbraw/zinc/51/66/01/532516601.db2.gz CTINQUWNUBAVPY-QPUJVOFHSA-N 1 0 389.193 2.057 20 5 GEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000283315072 532531369 /nfs/dbraw/zinc/53/13/69/532531369.db2.gz FDWSJIFRUXNKOP-NSHDSACASA-N 1 0 399.289 2.031 20 5 GEBDRO C[C@]1(C[NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000262048124 532583130 /nfs/dbraw/zinc/58/31/30/532583130.db2.gz QSAWBEPJNVYJPX-CYBMUJFWSA-N 1 0 389.193 2.010 20 5 GEBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000565945023 532585506 /nfs/dbraw/zinc/58/55/06/532585506.db2.gz AOONHEGKFIETOX-LLVKDONJSA-N 1 0 389.193 2.070 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccccc2Br)c1 ZINC000566124004 532594985 /nfs/dbraw/zinc/59/49/85/532594985.db2.gz GIBYWOUWUAXUIQ-OSAQELSMSA-N 1 0 381.230 2.060 20 5 GEBDRO Cc1c(NC(=O)NCCOCC[NH+](C)C)cc(Br)cc1[N+](=O)[O-] ZINC000435323467 532613938 /nfs/dbraw/zinc/61/39/38/532613938.db2.gz MUASCKRDMTWYCL-UHFFFAOYSA-N 1 0 389.250 2.365 20 5 GEBDRO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[N@H+](C)C1 ZINC000284749038 532616403 /nfs/dbraw/zinc/61/64/03/532616403.db2.gz VKZDDZPKTRZFJQ-KBPBESRZSA-N 1 0 386.246 2.148 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262751707 532599957 /nfs/dbraw/zinc/59/99/57/532599957.db2.gz GPAWNHNACJWAMX-UWVGGRQHSA-N 1 0 392.275 2.037 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000262794551 532602261 /nfs/dbraw/zinc/60/22/61/532602261.db2.gz OXXIQZMINVDSMX-SCZZXKLOSA-N 1 0 392.275 2.085 20 5 GEBDRO C[NH+](C)CCNS(=O)(=O)c1cccc(NCc2csc([N+](=O)[O-])c2)c1 ZINC000285371049 532675862 /nfs/dbraw/zinc/67/58/62/532675862.db2.gz AXGVKRGGVVHZPT-UHFFFAOYSA-N 1 0 384.483 2.108 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000440406762 532713140 /nfs/dbraw/zinc/71/31/40/532713140.db2.gz JKBGEYQGBQXVPM-ZJUUUORDSA-N 1 0 380.253 2.417 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000440424980 532713534 /nfs/dbraw/zinc/71/35/34/532713534.db2.gz GOPTVCBZZRDZOT-PRHODGIISA-N 1 0 392.275 2.024 20 5 GEBDRO C[C@@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCC[NH2+]C1 ZINC000440858609 532723311 /nfs/dbraw/zinc/72/33/11/532723311.db2.gz LGSHIXOPIYBCEZ-CYBMUJFWSA-N 1 0 392.275 2.025 20 5 GEBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000501121115 532736892 /nfs/dbraw/zinc/73/68/92/532736892.db2.gz TZKVBFYRZXXWEP-LLVKDONJSA-N 1 0 387.234 2.200 20 5 GEBDRO COCCOCCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000583077387 532763888 /nfs/dbraw/zinc/76/38/88/532763888.db2.gz YFKPLANXZIUABM-UHFFFAOYSA-N 1 0 394.209 2.342 20 5 GEBDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269583300 532783448 /nfs/dbraw/zinc/78/34/48/532783448.db2.gz APHKTORAUQGCSC-UHFFFAOYSA-N 1 0 394.291 2.318 20 5 GEBDRO C[N@@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C(C)(C)C1 ZINC000330582828 532821869 /nfs/dbraw/zinc/82/18/69/532821869.db2.gz VHEGUHYWUFKAQJ-UHFFFAOYSA-N 1 0 385.262 2.322 20 5 GEBDRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000414467361 532829535 /nfs/dbraw/zinc/82/95/35/532829535.db2.gz YVONFMLSVXJQKX-RYUDHWBXSA-N 1 0 392.275 2.118 20 5 GEBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000331133735 532833415 /nfs/dbraw/zinc/83/34/15/532833415.db2.gz BWXJFUILWKSBPA-NSHDSACASA-N 1 0 392.275 2.120 20 5 GEBDRO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C[C@H](O)C[NH3+] ZINC000415063829 532837235 /nfs/dbraw/zinc/83/72/35/532837235.db2.gz BCOQSZKMXLUYPF-LLVKDONJSA-N 1 0 384.230 2.369 20 5 GEBDRO CS[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1[NH+]1CCCC1 ZINC000332082690 532848449 /nfs/dbraw/zinc/84/84/49/532848449.db2.gz OHDDNILELFMXQC-HOTGVXAUSA-N 1 0 385.511 2.104 20 5 GEBDRO CS[C@H]1CN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000332077863 532848576 /nfs/dbraw/zinc/84/85/76/532848576.db2.gz HEGBSZSQUCSHBZ-CABCVRRESA-N 1 0 385.511 2.104 20 5 GEBDRO CS[C@H]1CN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000332089386 532848998 /nfs/dbraw/zinc/84/89/98/532848998.db2.gz UOYYEWUCIRQPBT-HOTGVXAUSA-N 1 0 385.511 2.104 20 5 GEBDRO C[C@H](CC[S@](C)=O)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289472125 532855782 /nfs/dbraw/zinc/85/57/82/532855782.db2.gz JDCHNFTYFQTOHL-HOGDKLEQSA-N 1 0 396.250 2.446 20 5 GEBDRO C[C@H](O)[C@H]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000289483573 532856017 /nfs/dbraw/zinc/85/60/17/532856017.db2.gz IPHYNPFRHZDBAV-ONGXEEELSA-N 1 0 376.194 2.402 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c1 ZINC000289594126 532859662 /nfs/dbraw/zinc/85/96/62/532859662.db2.gz ULACFHBPZVAXCP-NOZJJQNGSA-N 1 0 376.194 2.450 20 5 GEBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@@]1(C)C[NH3+] ZINC000420456452 532883517 /nfs/dbraw/zinc/88/35/17/532883517.db2.gz HDFULIMPVHTCIR-NOZJJQNGSA-N 1 0 381.376 2.219 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(CN2CCn3cncc3C2)c1 ZINC000291601585 532904878 /nfs/dbraw/zinc/90/48/78/532904878.db2.gz QMHZTIQVEMTVRU-UHFFFAOYSA-N 1 0 384.177 2.412 20 5 GEBDRO O=[N+]([O-])c1cnc(NC[C@H](c2cccs2)[NH+]2CCCC2)c(-c2nn[nH]n2)c1 ZINC000823651474 599277977 /nfs/dbraw/zinc/27/79/77/599277977.db2.gz LEXWQAOOYCKQCZ-CYBMUJFWSA-N 1 0 386.441 2.480 20 5 GEBDRO O=[N+]([O-])c1cnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c(-c2nn[nH]n2)c1 ZINC000738367971 598502607 /nfs/dbraw/zinc/50/26/07/598502607.db2.gz AEDSSZNQWJLYFM-CQSZACIVSA-N 1 0 386.460 2.262 20 5 GEBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(-c2nn[nH]n2)c1 ZINC000738373698 598675048 /nfs/dbraw/zinc/67/50/48/598675048.db2.gz FUVLZVSDOKICQG-HNNXBMFYSA-N 1 0 394.439 2.146 20 5 GEBDRO CN(CC1CC[NH+](C)CC1)c1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821622143 599526132 /nfs/dbraw/zinc/52/61/32/599526132.db2.gz UANYASFKOKYVNG-UHFFFAOYSA-N 1 0 382.428 2.101 20 5 GEBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)Cc2ccccc2C1 ZINC000821580984 599581903 /nfs/dbraw/zinc/58/19/03/599581903.db2.gz AJRJBLALJPIDGM-UHFFFAOYSA-N 1 0 379.424 2.286 20 5 GEBDRO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000820419408 606301372 /nfs/dbraw/zinc/30/13/72/606301372.db2.gz GTARLULZGIUVJI-QMTHXVAHSA-N 1 0 399.436 2.293 20 5 GEBDRO CC[N@H+](C)C[C@H]1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821165065 606432602 /nfs/dbraw/zinc/43/26/02/606432602.db2.gz OMZCPNWSWILDRP-GFCCVEGCSA-N 1 0 382.428 2.101 20 5 GEBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820571101 606700581 /nfs/dbraw/zinc/70/05/81/606700581.db2.gz VWPYRKLWPUEQCG-GXTWGEPZSA-N 1 0 380.412 2.417 20 5 GEBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000823620315 606711291 /nfs/dbraw/zinc/71/12/91/606711291.db2.gz KEZYXSCDPMMIHQ-AWEZNQCLSA-N 1 0 380.412 2.246 20 5 GEBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820751707 606805616 /nfs/dbraw/zinc/80/56/16/606805616.db2.gz HQYYVGUUUWWKRB-BZNIZROVSA-N 1 0 382.428 2.464 20 5 GEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000826498400 608509834 /nfs/dbraw/zinc/50/98/34/608509834.db2.gz SOMSJWDFRZCICW-ZWKOTPCHSA-N 1 0 380.408 2.476 20 5 GEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000449187092 650033719 /nfs/dbraw/zinc/03/37/19/650033719.db2.gz KFFKQRKTDLKTQG-TZMCWYRMSA-N 1 0 384.479 2.012 20 5 GEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]CCc1ccc(Cl)cc1 ZINC000459404795 650423745 /nfs/dbraw/zinc/42/37/45/650423745.db2.gz AAWRAERNMIUBLL-UHFFFAOYSA-N 1 0 383.857 2.359 20 5 GEBDRO CC[NH+]1CCC(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000485357670 650695375 /nfs/dbraw/zinc/69/53/75/650695375.db2.gz WEHKJEKBDAUCST-UHFFFAOYSA-N 1 0 392.275 2.120 20 5 GEBDRO C[NH+](C)[C@@H]1CCCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000057838579 642818768 /nfs/dbraw/zinc/81/87/68/642818768.db2.gz YEOPZUPCYJPEIU-SNVBAGLBSA-N 1 0 381.376 2.419 20 5 GEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2ccc(Cl)s2)c1 ZINC000067450593 642968591 /nfs/dbraw/zinc/96/85/91/642968591.db2.gz NTYYCGBPISEQHS-UHFFFAOYSA-N 1 0 375.859 2.378 20 5 GEBDRO CC[NH+]1CCC(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000108759409 643281827 /nfs/dbraw/zinc/28/18/27/643281827.db2.gz WUAPZANZZBXQNR-UHFFFAOYSA-N 1 0 392.275 2.120 20 5 GEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000123023282 643663310 /nfs/dbraw/zinc/66/33/10/643663310.db2.gz GVPZTJQDJMMILJ-CABZTGNLSA-N 1 0 392.275 2.248 20 5 GEBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1cc([N+](=O)[O-])ccc1I ZINC000130332639 643835362 /nfs/dbraw/zinc/83/53/62/643835362.db2.gz ISJZUHZAJCRACA-SECBINFHSA-N 1 0 389.193 2.071 20 5 GEBDRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000150868844 643926913 /nfs/dbraw/zinc/92/69/13/643926913.db2.gz IPFCDCKDOPJIEP-LBPRGKRZSA-N 1 0 393.893 2.192 20 5 GEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)C[C@@H](C)[NH2+]1 ZINC000153197217 643979163 /nfs/dbraw/zinc/97/91/63/643979163.db2.gz MOPFWIJFEUMBKM-RKDXNWHRSA-N 1 0 389.193 2.022 20 5 GEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CCO)c1ccccc1Br ZINC000542880998 650893350 /nfs/dbraw/zinc/89/33/50/650893350.db2.gz IRWOWNVEDZRYEO-OAHLLOKOSA-N 1 0 396.241 2.232 20 5 GEBDRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000178924097 644444064 /nfs/dbraw/zinc/44/40/64/644444064.db2.gz LODYITNUQZHHCO-VIFPVBQESA-N 1 0 392.275 2.105 20 5 GEBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000178934924 644446050 /nfs/dbraw/zinc/44/60/50/644446050.db2.gz AUSLWFLHWMRDFZ-LLVKDONJSA-N 1 0 392.275 2.120 20 5 GEBDRO CN(CCC[NH+](C)C)C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000181998789 644955517 /nfs/dbraw/zinc/95/55/17/644955517.db2.gz WXXVHWDXVMZUAQ-UHFFFAOYSA-N 1 0 391.209 2.223 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2cc(Cl)cs2)cc1 ZINC000193061320 645236564 /nfs/dbraw/zinc/23/65/64/645236564.db2.gz YIMPTIZJHUHLQJ-UHFFFAOYSA-N 1 0 375.859 2.378 20 5 GEBDRO C[N@H+](CCSc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000193744108 645295640 /nfs/dbraw/zinc/29/56/40/645295640.db2.gz CMUVEVZGXXOECY-UHFFFAOYSA-N 1 0 381.479 2.466 20 5 GEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000237458630 645432638 /nfs/dbraw/zinc/43/26/38/645432638.db2.gz CPWBIWRNFWMDLT-ONGXEEELSA-N 1 0 392.275 2.248 20 5 GEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)[C@@H](C)C[NH2+]1 ZINC000237473747 645433340 /nfs/dbraw/zinc/43/33/40/645433340.db2.gz RMBPIDUXNGJKIQ-BDAKNGLRSA-N 1 0 389.193 2.022 20 5 GEBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)[C@@H](C)C[NH2+]1 ZINC000237483041 645433395 /nfs/dbraw/zinc/43/33/95/645433395.db2.gz UOUNZFUWCNQKIV-BDAKNGLRSA-N 1 0 389.193 2.022 20 5 GEBDRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000238026298 645449517 /nfs/dbraw/zinc/44/95/17/645449517.db2.gz UMOHKVVQYXFEJD-MWLCHTKSSA-N 1 0 392.275 2.153 20 5 GEBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000246982552 645500380 /nfs/dbraw/zinc/50/03/80/645500380.db2.gz DYWAVUSBCGUNQE-YPMHNXCESA-N 1 0 397.273 2.464 20 5 GEBDRO CSCC[C@H]([NH3+])C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000269054132 646011990 /nfs/dbraw/zinc/01/19/90/646011990.db2.gz RIVLMMKBYKUKFN-JTQLQIEISA-N 1 0 380.392 2.222 20 5 GEBDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000269352976 646029633 /nfs/dbraw/zinc/02/96/33/646029633.db2.gz LEYQBSBBUSJQCW-LLVKDONJSA-N 1 0 392.275 2.072 20 5 GEBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000269959513 646076667 /nfs/dbraw/zinc/07/66/67/646076667.db2.gz IOWKJSOJFXWEMM-LLVKDONJSA-N 1 0 387.234 2.200 20 5 GEBDRO COc1cc(C[NH2+][C@H](C)CC[S@@](C)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272430300 646271916 /nfs/dbraw/zinc/27/19/16/646271916.db2.gz NHOATPOTOLNCRF-REFGNXHDSA-N 1 0 380.413 2.494 20 5 GEBDRO COc1cc(C[NH2+][C@@H](C)CC[S@@](C)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272430303 646272041 /nfs/dbraw/zinc/27/20/41/646272041.db2.gz NHOATPOTOLNCRF-UXMMLNGASA-N 1 0 380.413 2.494 20 5 GEBDRO COc1cc(C[NH2+][C@H](C)[C@H](CO)SC)c([N+](=O)[O-])cc1OCC(F)F ZINC000272531084 646275748 /nfs/dbraw/zinc/27/57/48/646275748.db2.gz ZPCOYMZAXUOUIP-OTYXRUKQSA-N 1 0 380.413 2.449 20 5 GEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]C2CCC(C(F)F)CC2)c1 ZINC000282026772 646811323 /nfs/dbraw/zinc/81/13/23/646811323.db2.gz SRLAMAFLTZKBRT-UHFFFAOYSA-N 1 0 377.413 2.287 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000286052283 646865787 /nfs/dbraw/zinc/86/57/87/646865787.db2.gz RDRCRBHTUYZBIU-NSHDSACASA-N 1 0 391.852 2.494 20 5 GEBDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292172812 647183871 /nfs/dbraw/zinc/18/38/71/647183871.db2.gz NUOOAGXXXGZBBV-NSHDSACASA-N 1 0 376.240 2.478 20 5 GEBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])C2)C1 ZINC000292459090 647190711 /nfs/dbraw/zinc/19/07/11/647190711.db2.gz ZSOGNIFTXGEJEW-HNNXBMFYSA-N 1 0 375.397 2.123 20 5 GEBDRO CS[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000330546900 647345058 /nfs/dbraw/zinc/34/50/58/647345058.db2.gz PWSWOCFCALLLMT-QWHCGFSZSA-N 1 0 388.287 2.475 20 5 GEBDRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2O1 ZINC000363885840 647610253 /nfs/dbraw/zinc/61/02/53/647610253.db2.gz AHCPVDAVNKIQFI-NSHDSACASA-N 1 0 383.451 2.174 20 5 GEBDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3ncc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000363919337 647612869 /nfs/dbraw/zinc/61/28/69/647612869.db2.gz JQNFANILICHIJK-CYBMUJFWSA-N 1 0 398.305 2.357 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000374174111 647819709 /nfs/dbraw/zinc/81/97/09/647819709.db2.gz IODZJAGXUDQECW-SNVBAGLBSA-N 1 0 392.275 2.086 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000374174105 647819753 /nfs/dbraw/zinc/81/97/53/647819753.db2.gz IODZJAGXUDQECW-JTQLQIEISA-N 1 0 392.275 2.086 20 5 GEBDRO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000377825408 647867531 /nfs/dbraw/zinc/86/75/31/647867531.db2.gz BMPQPGHXGFBXAH-NSHDSACASA-N 1 0 391.852 2.494 20 5 GEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000378492945 647883015 /nfs/dbraw/zinc/88/30/15/647883015.db2.gz HZRKBTUANMKQTB-XHDPSFHLSA-N 1 0 382.258 2.452 20 5 GEBDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416425390 648123650 /nfs/dbraw/zinc/12/36/50/648123650.db2.gz DRGGPPAVXRZMNY-NSHDSACASA-N 1 0 381.376 2.328 20 5 GEBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2c(I)cncc2[N+](=O)[O-])C1 ZINC000418889581 648321198 /nfs/dbraw/zinc/32/11/98/648321198.db2.gz IAZIDGGIAFCBSL-NXEZZACHSA-N 1 0 390.225 2.301 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000420449387 648417658 /nfs/dbraw/zinc/41/76/58/648417658.db2.gz GFKFECVLPRXUNO-VHSXEESVSA-N 1 0 392.275 2.071 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420476676 648420877 /nfs/dbraw/zinc/42/08/77/648420877.db2.gz QTPMEAFSCCUWIG-ZDUSSCGKSA-N 1 0 380.253 2.418 20 5 GEBDRO CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1(C)C ZINC000603377165 651486859 /nfs/dbraw/zinc/48/68/59/651486859.db2.gz YZBKWNMTOBDBJX-UHFFFAOYSA-N 1 0 392.275 2.072 20 5 GEBDRO O=C(CC[NH2+]CCn1cc([N+](=O)[O-])cn1)Nc1ccc(Br)cc1 ZINC000563881829 651546141 /nfs/dbraw/zinc/54/61/41/651546141.db2.gz QNZKIBBTEBFLLV-UHFFFAOYSA-N 1 0 382.218 2.172 20 5 GEBDRO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000567683831 651634302 /nfs/dbraw/zinc/63/43/02/651634302.db2.gz YQYDOPFMOFJKAS-NYWJGDLRSA-N 1 0 388.511 2.038 20 5 GEBDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000610657636 651675845 /nfs/dbraw/zinc/67/58/45/651675845.db2.gz ICWSWHAMESOELD-UHFFFAOYSA-N 1 0 394.291 2.320 20 5 GEBDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000610657729 651676461 /nfs/dbraw/zinc/67/64/61/651676461.db2.gz VJINRMMSGKYARZ-UHFFFAOYSA-N 1 0 394.291 2.320 20 5 GEBDRO CCC[C@H]1C[NH2+]CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000569576726 651718373 /nfs/dbraw/zinc/71/83/73/651718373.db2.gz CDKPWOKNBNSUES-LBPRGKRZSA-N 1 0 385.262 2.370 20 5 GEBDRO [NH3+]CC12CCC(CC1)CN2CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000569590078 651718822 /nfs/dbraw/zinc/71/88/22/651718822.db2.gz GQUVCDNWUGHTGX-UHFFFAOYSA-N 1 0 397.273 2.499 20 5 GEBDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000571452465 651833220 /nfs/dbraw/zinc/83/32/20/651833220.db2.gz QIJOWDPPMMGPPJ-PRHODGIISA-N 1 0 396.250 2.401 20 5 GEBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000576585554 652129713 /nfs/dbraw/zinc/12/97/13/652129713.db2.gz ATUOHWLDFODXJJ-JGVFFNPUSA-N 1 0 391.209 2.363 20 5 GEBDRO Cc1c(Br)c(N(C)CCC[N@@H+](C)CCN(C)C)ncc1[N+](=O)[O-] ZINC000582628372 652456784 /nfs/dbraw/zinc/45/67/84/652456784.db2.gz KSGYVYNRLROZEE-UHFFFAOYSA-N 1 0 388.310 2.380 20 5 GEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)c1 ZINC000582780987 652462876 /nfs/dbraw/zinc/46/28/76/652462876.db2.gz NVCMOFJFNXRUQH-LLVKDONJSA-N 1 0 375.212 2.128 20 5 GEBDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000757926030 652525873 /nfs/dbraw/zinc/52/58/73/652525873.db2.gz JMGKYUFRUHGDPG-CQSZACIVSA-N 1 0 375.219 2.415 20 5 GEBDRO C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000595118490 652705924 /nfs/dbraw/zinc/70/59/24/652705924.db2.gz QWAXJYJGIIDKLE-KOLCDFICSA-N 1 0 381.376 2.362 20 5 GEBDRO O=[N+]([O-])c1cc(Br)ccc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595864219 652740109 /nfs/dbraw/zinc/74/01/09/652740109.db2.gz RCVQXJVRELDBCO-HNNXBMFYSA-N 1 0 384.274 2.388 20 5 GEBDRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C2 ZINC000598727562 652831455 /nfs/dbraw/zinc/83/14/55/652831455.db2.gz XKRVCHVJWUXPMI-ISVAXAHUSA-N 1 0 380.253 2.404 20 5 GEBDRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000598722154 652831667 /nfs/dbraw/zinc/83/16/67/652831667.db2.gz AFQVBLASGZOROT-MFKMUULPSA-N 1 0 379.360 2.116 20 5 GEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000599102191 652849651 /nfs/dbraw/zinc/84/96/51/652849651.db2.gz PBXNLOXGNNKNEP-WDEREUQCSA-N 1 0 381.376 2.051 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)c1 ZINC000599666926 652882969 /nfs/dbraw/zinc/88/29/69/652882969.db2.gz OYCHJRSMIYBFJZ-GJZGRUSLSA-N 1 0 389.239 2.172 20 5 GEBDRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599783721 652889806 /nfs/dbraw/zinc/88/98/06/652889806.db2.gz YNUSDUOQWYHDCV-GFCCVEGCSA-N 1 0 399.289 2.113 20 5 GEBDRO CN(CC(=O)N(CC[NH+](C)C)C1CC1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000807266038 653188419 /nfs/dbraw/zinc/18/84/19/653188419.db2.gz NWMJIDOUINWNHP-UHFFFAOYSA-N 1 0 399.289 2.346 20 5 GEBDRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)O1 ZINC000602584146 653192033 /nfs/dbraw/zinc/19/20/33/653192033.db2.gz WUKXQVUDJYMARF-KWQFWETISA-N 1 0 392.275 2.144 20 5 GEBDRO CC[NH+]1CCC(CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000809811190 653297332 /nfs/dbraw/zinc/29/73/32/653297332.db2.gz ZZABXKISRAZGEB-UHFFFAOYSA-N 1 0 379.841 2.398 20 5 GEBDRO C[NH+]1CCC(CCNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000809813647 653297857 /nfs/dbraw/zinc/29/78/57/653297857.db2.gz JZYJHSTZOKZAED-UHFFFAOYSA-N 1 0 379.841 2.398 20 5 GEBDRO CC[NH+](CC)CCS(=O)(=O)Oc1c(Br)cccc1[N+](=O)[O-] ZINC000810058610 653320026 /nfs/dbraw/zinc/32/00/26/653320026.db2.gz UQDKPKBNMLXVRB-UHFFFAOYSA-N 1 0 381.248 2.408 20 5 GEBDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000810091229 653323949 /nfs/dbraw/zinc/32/39/49/653323949.db2.gz LJXBIWXVJLZPBE-SNVBAGLBSA-N 1 0 394.291 2.364 20 5 GEBDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000810091212 653324056 /nfs/dbraw/zinc/32/40/56/653324056.db2.gz KUUYKJYUQLNUOY-SNVBAGLBSA-N 1 0 394.291 2.364 20 5 GEBDRO CC[S@@](=O)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000810143399 653328004 /nfs/dbraw/zinc/32/80/04/653328004.db2.gz GJUXYTSGKIJCGR-GOSISDBHSA-N 1 0 382.223 2.058 20 5 GEBDRO C[N@H+](C[C@H](O)COc1cc([N+](=O)[O-])ccc1I)C1CC1 ZINC000811818890 653407436 /nfs/dbraw/zinc/40/74/36/653407436.db2.gz WLZBLOIGDVZZBX-NSHDSACASA-N 1 0 392.193 2.033 20 5 GEBDRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000780868121 653634487 /nfs/dbraw/zinc/63/44/87/653634487.db2.gz QKJSILASMDWXPT-SNVBAGLBSA-N 1 0 392.275 2.120 20 5 GEBDRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000780868336 653634494 /nfs/dbraw/zinc/63/44/94/653634494.db2.gz WKUWEPBYFRZKHT-JTQLQIEISA-N 1 0 381.376 2.376 20 5 GEBDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000815018574 653643912 /nfs/dbraw/zinc/64/39/12/653643912.db2.gz UGHXGZUQQSFILI-UWVGGRQHSA-N 1 0 379.841 2.491 20 5 GEBDRO O=[N+]([O-])c1cccc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1Br ZINC000839481967 653650946 /nfs/dbraw/zinc/65/09/46/653650946.db2.gz VVBFWBCPKZLXID-UKRRQHHQSA-N 1 0 384.274 2.388 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000783908987 653686567 /nfs/dbraw/zinc/68/65/67/653686567.db2.gz DZALRSDQXIPKKL-INIZCTEOSA-N 1 0 384.841 2.345 20 5 GEBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000784723080 653698962 /nfs/dbraw/zinc/69/89/62/653698962.db2.gz RFFQEZUPUUSHOK-SNVBAGLBSA-N 1 0 394.291 2.366 20 5 GEBDRO CC(C)(C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841234346 653711588 /nfs/dbraw/zinc/71/15/88/653711588.db2.gz NYKBUBOXRFOHFJ-UHFFFAOYSA-N 1 0 378.170 2.058 20 5 GEBDRO [NH3+]C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)C1 ZINC000841234949 653711741 /nfs/dbraw/zinc/71/17/41/653711741.db2.gz UMAHFUBGUYKIOP-MRVPVSSYSA-N 1 0 390.181 2.012 20 5 GEBDRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841937686 653742824 /nfs/dbraw/zinc/74/28/24/653742824.db2.gz BXNZKQRVWLHDBF-JTQLQIEISA-N 1 0 383.246 2.177 20 5 GEBDRO C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@H]1CCC[NH2+]C1 ZINC000842699124 653763589 /nfs/dbraw/zinc/76/35/89/653763589.db2.gz ISBBQGOLQLXZBK-ZJUUUORDSA-N 1 0 392.275 2.024 20 5 GEBDRO C[C@H]1CCCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000842721312 653764570 /nfs/dbraw/zinc/76/45/70/653764570.db2.gz FGULRRISJXUSKA-ZANVPECISA-N 1 0 392.275 2.105 20 5 GEBDRO CC[C@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000842798553 653768138 /nfs/dbraw/zinc/76/81/38/653768138.db2.gz RIFVYABNANBEME-JOYOIKCWSA-N 1 0 392.275 2.105 20 5 GEBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)c1 ZINC000842892251 653772338 /nfs/dbraw/zinc/77/23/38/653772338.db2.gz AEOYXKKQKGUAPC-JTQLQIEISA-N 1 0 392.275 2.168 20 5 GEBDRO CC1([NH+]2CCC2)CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000882508337 653785653 /nfs/dbraw/zinc/78/56/53/653785653.db2.gz AOZKNZJEOWPJNW-UHFFFAOYSA-N 1 0 383.246 2.453 20 5 GEBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000790879604 653799898 /nfs/dbraw/zinc/79/98/98/653799898.db2.gz ICKQFMDYPIJSDC-SNVBAGLBSA-N 1 0 394.291 2.366 20 5 GEBDRO C[NH+](C)CCN1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1=O ZINC000844382543 653805684 /nfs/dbraw/zinc/80/56/84/653805684.db2.gz YPDNVIJXPFZXLU-UHFFFAOYSA-N 1 0 375.256 2.107 20 5 GEBDRO C[C@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000882821061 653811978 /nfs/dbraw/zinc/81/19/78/653811978.db2.gz KCJHIHYGJWUQJF-NSHDSACASA-N 1 0 382.467 2.170 20 5 GEBDRO C[NH+](C)C1(CS(=O)(=O)Oc2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000882837812 653812798 /nfs/dbraw/zinc/81/27/98/653812798.db2.gz QRXDGCQAVKAPHR-UHFFFAOYSA-N 1 0 379.232 2.160 20 5 GEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866826302 653833666 /nfs/dbraw/zinc/83/36/66/653833666.db2.gz XQFNELFEQAQMTD-GHMZBOCLSA-N 1 0 379.360 2.129 20 5 GEBDRO C[C@@H](CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CC[NH+](C)CC1 ZINC000896429137 653879718 /nfs/dbraw/zinc/87/97/18/653879718.db2.gz SHFTVFMGVPFYCB-VIFPVBQESA-N 1 0 393.246 2.406 20 5 GEBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000795226524 653939971 /nfs/dbraw/zinc/93/99/71/653939971.db2.gz YNEXUSQANJWMCA-SNVBAGLBSA-N 1 0 394.291 2.366 20 5 GEBDRO CN1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)CC[N@H+](C)CC1 ZINC000897859296 653940613 /nfs/dbraw/zinc/94/06/13/653940613.db2.gz ZNBGJQUSRKGZPE-UHFFFAOYSA-N 1 0 377.308 2.098 20 5 GEBDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)CC[C@H]21 ZINC000795882891 653974664 /nfs/dbraw/zinc/97/46/64/653974664.db2.gz CCTSZYLNMQYWQR-GXFFZTMASA-N 1 0 391.852 2.492 20 5 GEBDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)CC[C@@H]21 ZINC000867809892 653991093 /nfs/dbraw/zinc/99/10/93/653991093.db2.gz VDXQMGUAQLTBCM-CABZTGNLSA-N 1 0 377.825 2.102 20 5 GEBDRO C[N@@H+]1C[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@]2(C)C1 ZINC000887932135 654059079 /nfs/dbraw/zinc/05/90/79/654059079.db2.gz WNJKTKYHPIUJTI-WBMJQRKESA-N 1 0 382.258 2.310 20 5 GEBDRO C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000850591767 654084788 /nfs/dbraw/zinc/08/47/88/654084788.db2.gz GPTYEMMBFUOFJF-ZJUUUORDSA-N 1 0 392.275 2.105 20 5 GEBDRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000850593529 654085186 /nfs/dbraw/zinc/08/51/86/654085186.db2.gz VFCXYINGZXPQEF-LLVKDONJSA-N 1 0 380.264 2.009 20 5 GEBDRO C[NH+](C)CCn1nccc1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000919103846 654170766 /nfs/dbraw/zinc/17/07/66/654170766.db2.gz LSBRQFYBFQFNLN-UHFFFAOYSA-N 1 0 396.245 2.045 20 5 GEBDRO CN(CC(=O)N1CC[NH+]2CCC1CC2)c1cc(Br)ccc1[N+](=O)[O-] ZINC000803165396 654266658 /nfs/dbraw/zinc/26/66/58/654266658.db2.gz GJVHMNLAUAQPDT-UHFFFAOYSA-N 1 0 397.273 2.100 20 5 GEBDRO CN(CC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000832495926 654270468 /nfs/dbraw/zinc/27/04/68/654270468.db2.gz JMNKWWRQCZABOS-CHWSQXEVSA-N 1 0 399.289 2.392 20 5 GEBDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903747021 654281743 /nfs/dbraw/zinc/28/17/43/654281743.db2.gz NUHOMXQZFBBZHU-AWEZNQCLSA-N 1 0 380.246 2.237 20 5 GEBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC[N@@H+](C2CC2)C1 ZINC000832949801 654300844 /nfs/dbraw/zinc/30/08/44/654300844.db2.gz PCYHAIPXCQTOGK-SNVBAGLBSA-N 1 0 383.246 2.309 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cc(Br)ccc2Cl)c1 ZINC000905524759 654363653 /nfs/dbraw/zinc/36/36/53/654363653.db2.gz LFQVEWSTGLGOEL-GFCCVEGCSA-N 1 0 389.637 2.358 20 5 GEBDRO C[NH+](C)CCn1nccc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000908076735 654602625 /nfs/dbraw/zinc/60/26/25/654602625.db2.gz SDUBKKOLBJDZQW-UHFFFAOYSA-N 1 0 382.218 2.368 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)ccc1CCNS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000914337960 654846675 /nfs/dbraw/zinc/84/66/75/654846675.db2.gz OSWNTAWVAGIKFG-INIZCTEOSA-N 1 0 387.889 2.196 20 5 GEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC000934953578 654868022 /nfs/dbraw/zinc/86/80/22/654868022.db2.gz ZDJBQEUPYXFDJL-ZWNOBZJWSA-N 1 0 397.273 2.496 20 5 GEBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)C[C@@H]21 ZINC001164669916 719469805 /nfs/dbraw/zinc/46/98/05/719469805.db2.gz VXZSLQPCXNKCCF-HOTGVXAUSA-N 1 0 375.816 2.224 20 5 GEBDRO Cc1ccnc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164827820 720303599 /nfs/dbraw/zinc/30/35/99/720303599.db2.gz YGKDQXHEZGLINZ-SJORKVTESA-N 1 0 387.484 2.210 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164731034 720404733 /nfs/dbraw/zinc/40/47/33/720404733.db2.gz YEVBGWBQLPNBGF-LSDHHAIUSA-N 1 0 375.816 2.130 20 5 GEBDRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc([N+](=O)[O-])c(N)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834959 720562283 /nfs/dbraw/zinc/56/22/83/720562283.db2.gz GCGIYZXULNMQGD-OWCLPIDISA-N 1 0 385.472 2.146 20 5 GEBDRO Cc1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164737080 720664760 /nfs/dbraw/zinc/66/47/60/720664760.db2.gz CXXISUSRNQJIMZ-QWHCGFSZSA-N 1 0 390.831 2.084 20 5 GEBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c2ccccc21 ZINC001164744346 720680857 /nfs/dbraw/zinc/68/08/57/720680857.db2.gz ZKUVMXKMKJJKFK-HUUCEWRRSA-N 1 0 392.419 2.275 20 5 GEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744804 720811782 /nfs/dbraw/zinc/81/17/82/720811782.db2.gz IPSXVOBSPNVEPR-BHIYHBOVSA-N 1 0 397.483 2.269 20 5 GEBDRO Cc1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1[N+](=O)[O-] ZINC001164746818 720818026 /nfs/dbraw/zinc/81/80/26/720818026.db2.gz ZHXCUUSSQHHVSJ-FGTMMUONSA-N 1 0 397.483 2.269 20 5 GEBDRO Cc1c(C)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164864081 721099108 /nfs/dbraw/zinc/09/91/08/721099108.db2.gz DZLGFSDOCCKTIE-MSOLQXFVSA-N 1 0 383.452 2.481 20 5 GEBDRO Cc1cnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c([N+](=O)[O-])c1 ZINC001164886746 721384424 /nfs/dbraw/zinc/38/44/24/721384424.db2.gz GAYSTFARLHCTIX-XLIONFOSSA-N 1 0 389.500 2.064 20 5 GEBDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001164928084 721855311 /nfs/dbraw/zinc/85/53/11/721855311.db2.gz NGJMVBMQCDURDT-NWDGAFQWSA-N 1 0 389.834 2.403 20 5 GEBDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001164934372 721877616 /nfs/dbraw/zinc/87/76/16/721877616.db2.gz QVBGUXCPQHQVKE-RTBURBONSA-N 1 0 382.468 2.266 20 5 GEBDRO COc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164979785 722113099 /nfs/dbraw/zinc/11/30/99/722113099.db2.gz PYQMDCWPKFTZPV-LPHOPBHVSA-N 1 0 399.451 2.121 20 5 GEBDRO C[N@@H+](Cc1ccc(Br)s1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174707114 532074690 /nfs/dbraw/zinc/07/46/90/532074690.db2.gz LIMNIVXCRSQTKX-SNVBAGLBSA-N 1 0 375.248 2.108 20 5 GEBDRO Cc1sc(S(=O)(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000122829863 532084267 /nfs/dbraw/zinc/08/42/67/532084267.db2.gz NAKKFUVNQOXHRG-AWEZNQCLSA-N 1 0 383.495 2.416 20 5 GEBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](CO)c1cccc(Br)c1 ZINC000125604493 532139736 /nfs/dbraw/zinc/13/97/36/532139736.db2.gz ROLKCFIDQYUQNI-HNNXBMFYSA-N 1 0 396.241 2.184 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc(Cl)cc2F)cc1 ZINC000189290260 532351679 /nfs/dbraw/zinc/35/16/79/532351679.db2.gz WZLYSPXUUCEEQD-UHFFFAOYSA-N 1 0 387.820 2.455 20 5 GEBDRO CN(C(=O)c1cc(I)cc([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000516450811 532386530 /nfs/dbraw/zinc/38/65/30/532386530.db2.gz OBLWCXLXALTGID-LBPRGKRZSA-N 1 0 389.193 2.009 20 5 GEBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000590900460 532391819 /nfs/dbraw/zinc/39/18/19/532391819.db2.gz YASLUQIZKWKPEQ-KCJUWKMLSA-N 1 0 389.193 2.151 20 5 GEBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000590900461 532392219 /nfs/dbraw/zinc/39/22/19/532392219.db2.gz YASLUQIZKWKPEQ-KWQFWETISA-N 1 0 389.193 2.151 20 5 GEBDRO C[C@H]1CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000591681103 532419796 /nfs/dbraw/zinc/41/97/96/532419796.db2.gz GOVYUOIGUQDKNW-IUCAKERBSA-N 1 0 389.193 2.022 20 5 GEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)c1 ZINC000591756646 532422052 /nfs/dbraw/zinc/42/20/52/532422052.db2.gz LRLRNAZRWGKCQR-LLVKDONJSA-N 1 0 375.212 2.128 20 5 GEBDRO O=[N+]([O-])c1cc(Br)ccc1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000591843210 532426466 /nfs/dbraw/zinc/42/64/66/532426466.db2.gz IMHSAQXSPXIZHB-GOEBONIOSA-N 1 0 384.274 2.388 20 5 GEBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H](O)c1ccccc1Br ZINC000295458489 532447953 /nfs/dbraw/zinc/44/79/53/532447953.db2.gz XYOJRCFCVJJKFL-HNNXBMFYSA-N 1 0 396.241 2.184 20 5 GEBDRO CC[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592382296 532453495 /nfs/dbraw/zinc/45/34/95/532453495.db2.gz OGTHJLMUJGSVNZ-MWLCHTKSSA-N 1 0 392.275 2.105 20 5 GEBDRO C[C@@](C[NH3+])(NC(=O)c1ccc([N+](=O)[O-])cc1I)C1CC1 ZINC000237638473 532508813 /nfs/dbraw/zinc/50/88/13/532508813.db2.gz JAQSEOPDMNWVOI-ZDUSSCGKSA-N 1 0 389.193 2.057 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000237725622 532511595 /nfs/dbraw/zinc/51/15/95/532511595.db2.gz QPEQQHYLIVUZNT-SNVBAGLBSA-N 1 0 392.275 2.086 20 5 GEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000236864622 532498800 /nfs/dbraw/zinc/49/88/00/532498800.db2.gz OMELVJAGQWLUIS-VIFPVBQESA-N 1 0 391.209 2.447 20 5 GEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)c1 ZINC000564853455 532535693 /nfs/dbraw/zinc/53/56/93/532535693.db2.gz FJHRAPCGAYGJKB-GFCCVEGCSA-N 1 0 375.212 2.128 20 5 GEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000565002364 532543027 /nfs/dbraw/zinc/54/30/27/532543027.db2.gz FOFBMOXTYSPYPS-JGVFFNPUSA-N 1 0 377.182 2.055 20 5 GEBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596104862 532586598 /nfs/dbraw/zinc/58/65/98/532586598.db2.gz OSANWQFYKIVXRR-LLVKDONJSA-N 1 0 385.262 2.357 20 5 GEBDRO CCn1c(CC[NH3+])nnc1Sc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596148592 532587900 /nfs/dbraw/zinc/58/79/00/532587900.db2.gz JLAPEDMOHWDIJL-UHFFFAOYSA-N 1 0 385.833 2.299 20 5 GEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC000599572448 532666728 /nfs/dbraw/zinc/66/67/28/532666728.db2.gz BKMTVDMFHHIITM-INIZCTEOSA-N 1 0 395.257 2.063 20 5 GEBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599873805 532670354 /nfs/dbraw/zinc/67/03/54/532670354.db2.gz NIRQGMAFRSYIKX-LLVKDONJSA-N 1 0 388.262 2.180 20 5 GEBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599873807 532670520 /nfs/dbraw/zinc/67/05/20/532670520.db2.gz NIRQGMAFRSYIKX-NSHDSACASA-N 1 0 388.262 2.180 20 5 GEBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440083441 532706755 /nfs/dbraw/zinc/70/67/55/532706755.db2.gz WPDODLGFYCBFPP-JTQLQIEISA-N 1 0 394.291 2.366 20 5 GEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440350411 532710054 /nfs/dbraw/zinc/71/00/54/532710054.db2.gz OQODFAUQTPBCGQ-SKDRFNHKSA-N 1 0 392.275 2.248 20 5 GEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440350407 532710544 /nfs/dbraw/zinc/71/05/44/532710544.db2.gz OQODFAUQTPBCGQ-CABZTGNLSA-N 1 0 392.275 2.248 20 5 GEBDRO C[C@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000440358313 532712167 /nfs/dbraw/zinc/71/21/67/532712167.db2.gz NGNGJTVMKZRMMV-UWVGGRQHSA-N 1 0 392.275 2.024 20 5 GEBDRO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440431267 532714926 /nfs/dbraw/zinc/71/49/26/532714926.db2.gz IGHGFDKPYVYAMB-VIFPVBQESA-N 1 0 380.264 2.009 20 5 GEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[NH+](C2CCOCC2)CC1 ZINC000266975762 532730705 /nfs/dbraw/zinc/73/07/05/532730705.db2.gz VYNUJSIFJHEKJJ-UHFFFAOYSA-N 1 0 398.257 2.294 20 5 GEBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000577049718 532730747 /nfs/dbraw/zinc/73/07/47/532730747.db2.gz YDOLWJQUUBSUAW-DOMZBBRYSA-N 1 0 385.262 2.475 20 5 GEBDRO C[NH+](C)[C@@]1(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CCSC1 ZINC000267035484 532733244 /nfs/dbraw/zinc/73/32/44/532733244.db2.gz BQQVZICBSGBVFT-CQSZACIVSA-N 1 0 395.453 2.440 20 5 GEBDRO COc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000359975180 212129636 /nfs/dbraw/zinc/12/96/36/212129636.db2.gz PZGJCKPGPSBRGT-QZTJIDSGSA-N 1 0 388.420 2.110 20 5 GEBDRO COCC[C@](C)(O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289470266 532855723 /nfs/dbraw/zinc/85/57/23/532855723.db2.gz JAUCIMPJXQBRRE-ZDUSSCGKSA-N 1 0 394.209 2.077 20 5 GEBDRO C[N@H+](C[C@H](O)CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1CC1 ZINC000289490168 532856560 /nfs/dbraw/zinc/85/65/60/532856560.db2.gz YXODAGVJWCIDBN-LBPRGKRZSA-N 1 0 384.274 2.171 20 5 GEBDRO CSC[C@](C)(O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289481750 532856256 /nfs/dbraw/zinc/85/62/56/532856256.db2.gz KCJOSASQLBDTDO-GFCCVEGCSA-N 1 0 396.250 2.403 20 5 GEBDRO C[C@@H](O)[C@@H]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000289483570 532856402 /nfs/dbraw/zinc/85/64/02/532856402.db2.gz IPHYNPFRHZDBAV-MWLCHTKSSA-N 1 0 376.194 2.402 20 5 GEBDRO O=C(CN1CC[NH+]([C@@H]2CCSC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000361943303 532894131 /nfs/dbraw/zinc/89/41/31/532894131.db2.gz KUQGJAGYMXTAGC-CYBMUJFWSA-N 1 0 384.889 2.310 20 5 GEBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000736616302 599063505 /nfs/dbraw/zinc/06/35/05/599063505.db2.gz QVOOWXNZJVKMCI-UKRRQHHQSA-N 1 0 389.460 2.324 20 5 GEBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821614510 599081154 /nfs/dbraw/zinc/08/11/54/599081154.db2.gz JCFZIVRTXFXDRJ-MRXNPFEDSA-N 1 0 379.424 2.486 20 5 GEBDRO CCC[N@H+](C)C[C@H]1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821088657 599093173 /nfs/dbraw/zinc/09/31/73/599093173.db2.gz RJZGAIDMQBMZGT-CYBMUJFWSA-N 1 0 396.455 2.491 20 5 GEBDRO CCc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)[NH+](C)C)cc1 ZINC000821482654 599265668 /nfs/dbraw/zinc/26/56/68/599265668.db2.gz UQEPLVUEBIGBNZ-INIZCTEOSA-N 1 0 382.428 2.447 20 5 GEBDRO CC1(C)CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000736214663 598246205 /nfs/dbraw/zinc/24/62/05/598246205.db2.gz SYJJNLNEMCYJME-UHFFFAOYSA-N 1 0 394.439 2.271 20 5 GEBDRO CC1CC[NH+](C[C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)CC1 ZINC000736275917 598500821 /nfs/dbraw/zinc/50/08/21/598500821.db2.gz LIFZFFRCJQLQKN-AWEZNQCLSA-N 1 0 386.460 2.118 20 5 GEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000826498769 607451111 /nfs/dbraw/zinc/45/11/11/607451111.db2.gz JCWPRXOYGUJJSV-UHFFFAOYSA-N 1 0 379.424 2.140 20 5 GEBDRO Cc1cc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)ncc1[N+](=O)[O-] ZINC000822207374 606035611 /nfs/dbraw/zinc/03/56/11/606035611.db2.gz TZSBWEVICCQXJV-UHFFFAOYSA-N 1 0 394.439 2.191 20 5 GEBDRO C[NH+](C)CCN(CCc1ccccc1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821586020 606224618 /nfs/dbraw/zinc/22/46/18/606224618.db2.gz GBPMYAPOCNSNBF-UHFFFAOYSA-N 1 0 381.440 2.386 20 5 GEBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000823621021 606707674 /nfs/dbraw/zinc/70/76/74/606707674.db2.gz VRWRVHBOWNSLMB-AWEZNQCLSA-N 1 0 386.460 2.262 20 5 GEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820760962 606714841 /nfs/dbraw/zinc/71/48/41/606714841.db2.gz UOSNWXZWAOESFY-XJKSGUPXSA-N 1 0 394.439 2.492 20 5 GEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000820225493 607055589 /nfs/dbraw/zinc/05/55/89/607055589.db2.gz JTNRWRNIBGXUPC-NSHDSACASA-N 1 0 399.386 2.421 20 5 GEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000820225839 607056693 /nfs/dbraw/zinc/05/66/93/607056693.db2.gz QIANGHZLIVTHOO-NSHDSACASA-N 1 0 399.386 2.421 20 5 GEBDRO CC(C)(CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000819984031 607166500 /nfs/dbraw/zinc/16/65/00/607166500.db2.gz NRPHJFWRIVMVEZ-UHFFFAOYSA-N 1 0 394.439 2.419 20 5 GEBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[N@H+](C)C1CC1 ZINC000447031452 649995161 /nfs/dbraw/zinc/99/51/61/649995161.db2.gz RVDJXBSBRJSCPT-SECBINFHSA-N 1 0 392.275 2.118 20 5 GEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000504917985 650433864 /nfs/dbraw/zinc/43/38/64/650433864.db2.gz FLGHHXUTWOVXTH-KGLIPLIRSA-N 1 0 387.527 2.479 20 5 GEBDRO CC[NH+](CC)CC(=O)N1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000505590629 650439097 /nfs/dbraw/zinc/43/90/97/650439097.db2.gz ODXQVBGAVZJIDU-UHFFFAOYSA-N 1 0 399.289 2.348 20 5 GEBDRO CNS(=O)(=O)c1ccc(NC[C@@H](c2cccs2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000015171319 642379167 /nfs/dbraw/zinc/37/91/67/642379167.db2.gz HNWLBAPNYNGRBB-AWEZNQCLSA-N 1 0 384.483 2.279 20 5 GEBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000493412666 650793790 /nfs/dbraw/zinc/79/37/90/650793790.db2.gz NLQOFLMAVUBGOX-DZGCQCFKSA-N 1 0 386.246 2.437 20 5 GEBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[NH+](CCCO)CC1 ZINC000536087059 650796257 /nfs/dbraw/zinc/79/62/57/650796257.db2.gz VONVNDDFTVGIJY-UHFFFAOYSA-N 1 0 395.257 2.410 20 5 GEBDRO CC[N@H+](CCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C1CC1 ZINC000102932972 643147389 /nfs/dbraw/zinc/14/73/89/643147389.db2.gz KKTTWMVSNNBGIM-UHFFFAOYSA-N 1 0 392.275 2.120 20 5 GEBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000109065082 643288762 /nfs/dbraw/zinc/28/87/62/643288762.db2.gz ZFACPPXFWHQRBW-SNVBAGLBSA-N 1 0 394.291 2.366 20 5 GEBDRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000119772619 643571288 /nfs/dbraw/zinc/57/12/88/643571288.db2.gz PYPHYXUHTLRVCV-TZMCWYRMSA-N 1 0 391.515 2.072 20 5 GEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000123023788 643663600 /nfs/dbraw/zinc/66/36/00/643663600.db2.gz GVPZTJQDJMMILJ-BXKDBHETSA-N 1 0 392.275 2.248 20 5 GEBDRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000124538669 643687872 /nfs/dbraw/zinc/68/78/72/643687872.db2.gz REXKXVHQBOFHOE-BXKDBHETSA-N 1 0 392.275 2.153 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000124906380 643692541 /nfs/dbraw/zinc/69/25/41/643692541.db2.gz AGDLMECROXPVCM-VHSXEESVSA-N 1 0 392.275 2.214 20 5 GEBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)C[C@H](C)[NH2+]1 ZINC000154238793 644027480 /nfs/dbraw/zinc/02/74/80/644027480.db2.gz JHZLDVADPRUAFX-DTORHVGOSA-N 1 0 389.193 2.022 20 5 GEBDRO COCCC[N@H+](C)CCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155152147 644066621 /nfs/dbraw/zinc/06/66/21/644066621.db2.gz PMGXOBISMGYINN-UHFFFAOYSA-N 1 0 389.250 2.447 20 5 GEBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000158150527 644141264 /nfs/dbraw/zinc/14/12/64/644141264.db2.gz AUCYYUDNHRXHGA-LLVKDONJSA-N 1 0 392.275 2.072 20 5 GEBDRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000178926570 644444857 /nfs/dbraw/zinc/44/48/57/644444857.db2.gz FLCPRLLVHAXGGE-VIFPVBQESA-N 1 0 392.275 2.105 20 5 GEBDRO COc1cc(C[NH2+][C@@H](C)C[S@@](C)=O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000184257120 645013906 /nfs/dbraw/zinc/01/39/06/645013906.db2.gz BBCQZLYGNYOXST-OLUQVHSISA-N 1 0 384.376 2.401 20 5 GEBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1I)C1CC[NH2+]CC1 ZINC000237099941 645422650 /nfs/dbraw/zinc/42/26/50/645422650.db2.gz VNAHRJMUHAMIQJ-UHFFFAOYSA-N 1 0 389.193 2.023 20 5 GEBDRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261707098 645595473 /nfs/dbraw/zinc/59/54/73/645595473.db2.gz MARKRNYIASEEHW-UONOGXRCSA-N 1 0 381.841 2.364 20 5 GEBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000261921040 645611449 /nfs/dbraw/zinc/61/14/49/645611449.db2.gz ZKGABBCPWIONGN-RKDXNWHRSA-N 1 0 389.193 2.009 20 5 GEBDRO COc1ccc(Br)cc1C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266472804 645845014 /nfs/dbraw/zinc/84/50/14/645845014.db2.gz RTSGVGJBGYRYLP-AWEZNQCLSA-N 1 0 399.245 2.055 20 5 GEBDRO CN(CC(C)(C)C[NH3+])C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000269185131 646020836 /nfs/dbraw/zinc/02/08/36/646020836.db2.gz DQIKPGLAKBIKBH-UHFFFAOYSA-N 1 0 391.209 2.256 20 5 GEBDRO CC(C)[C@H](CNc1c(Br)cncc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000271012760 646166090 /nfs/dbraw/zinc/16/60/90/646166090.db2.gz XZVGPRNYJICAKJ-ZDUSSCGKSA-N 1 0 386.294 2.436 20 5 GEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000272286557 646263682 /nfs/dbraw/zinc/26/36/82/646263682.db2.gz PBUCDRHQHKFFBE-IUCAKERBSA-N 1 0 389.193 2.009 20 5 GEBDRO C[C@H]1[NH2+]CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)[C@@H]1C ZINC000277453098 646423507 /nfs/dbraw/zinc/42/35/07/646423507.db2.gz GPHABGXCWMVCRZ-RKDXNWHRSA-N 1 0 389.193 2.022 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363260505 647589667 /nfs/dbraw/zinc/58/96/67/647589667.db2.gz WXAHUCRKWXVXMF-IACUBPJLSA-N 1 0 385.873 2.353 20 5 GEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000419996505 648394218 /nfs/dbraw/zinc/39/42/18/648394218.db2.gz LCSBKQRXHUDBQQ-OAHLLOKOSA-N 1 0 388.262 2.098 20 5 GEBDRO Cc1c(Br)cc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000420011379 648395550 /nfs/dbraw/zinc/39/55/50/648395550.db2.gz HXOHHMZQGBMFJR-HNNXBMFYSA-N 1 0 388.262 2.098 20 5 GEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420444212 648416458 /nfs/dbraw/zinc/41/64/58/648416458.db2.gz BUVJTTKGTQIZQU-QPUJVOFHSA-N 1 0 380.253 2.274 20 5 GEBDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000420771579 648454942 /nfs/dbraw/zinc/45/49/42/648454942.db2.gz SFHFGCLSINOORB-LLVKDONJSA-N 1 0 381.376 2.328 20 5 GEBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1I)[C@@H](C[NH3+])C1CC1 ZINC000423944662 648604153 /nfs/dbraw/zinc/60/41/53/648604153.db2.gz HWCFVORRSIFCOZ-LBPRGKRZSA-N 1 0 389.193 2.009 20 5 GEBDRO C[N@@H+]1CC[C@@]2(CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Br)C2)C1 ZINC000429016750 648742770 /nfs/dbraw/zinc/74/27/70/648742770.db2.gz DHGIYYQVRVRWBC-MRXNPFEDSA-N 1 0 397.273 2.323 20 5 GEBDRO C[N@@H+](Cc1cc(Br)cs1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438832327 648806095 /nfs/dbraw/zinc/80/60/95/648806095.db2.gz UKOFKEDWNARWSH-NSHDSACASA-N 1 0 375.248 2.108 20 5 GEBDRO COc1c(F)cc(S(=O)(=O)NCC2([NH3+])CCCCCC2)cc1[N+](=O)[O-] ZINC000440764677 648812960 /nfs/dbraw/zinc/81/29/60/648812960.db2.gz VQYCCXMMQJQDQL-UHFFFAOYSA-N 1 0 375.422 2.073 20 5 GEBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[NH+]1CCCC1 ZINC000548370038 651078052 /nfs/dbraw/zinc/07/80/52/651078052.db2.gz KVEPHQQWEWUXMR-JTQLQIEISA-N 1 0 381.376 2.376 20 5 GEBDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000567683830 651634370 /nfs/dbraw/zinc/63/43/70/651634370.db2.gz YQYDOPFMOFJKAS-CAQPCFEESA-N 1 0 388.511 2.038 20 5 GEBDRO C[NH+]1CCC(N2CC[C@H](Nc3ncc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000610512387 651667025 /nfs/dbraw/zinc/66/70/25/651667025.db2.gz UXJJTLNNSVPPGN-NSHDSACASA-N 1 0 384.278 2.333 20 5 GEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCN(C)S(C)(=O)=O ZINC000611248122 651716078 /nfs/dbraw/zinc/71/60/78/651716078.db2.gz ZENVRSWJPIVXNB-CYBMUJFWSA-N 1 0 375.516 2.337 20 5 GEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCCS1(=O)=O ZINC000611335543 651720711 /nfs/dbraw/zinc/72/07/11/651720711.db2.gz BLBQNMDTVUFHGU-CQSZACIVSA-N 1 0 387.527 2.481 20 5 GEBDRO COc1ccc([C@H](C[NH3+])Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)cc1 ZINC000570715643 651786167 /nfs/dbraw/zinc/78/61/67/651786167.db2.gz LOBBENIZJIXSQL-LLVKDONJSA-N 1 0 382.214 2.270 20 5 GEBDRO COc1ccc([C@@H](C[NH3+])Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)cc1 ZINC000570715644 651786176 /nfs/dbraw/zinc/78/61/76/651786176.db2.gz LOBBENIZJIXSQL-NSHDSACASA-N 1 0 382.214 2.270 20 5 GEBDRO C[C@@H](CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000614832473 651840351 /nfs/dbraw/zinc/84/03/51/651840351.db2.gz NEEMJBKOHIRTEO-JTQLQIEISA-N 1 0 392.275 2.120 20 5 GEBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000574262958 652011652 /nfs/dbraw/zinc/01/16/52/652011652.db2.gz KBJZFFPSNKQTPD-OCCSQVGLSA-N 1 0 385.262 2.475 20 5 GEBDRO CS(=O)(=O)NC1CC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000619747953 652075650 /nfs/dbraw/zinc/07/56/50/652075650.db2.gz HFYYQRGPMJXGSZ-UHFFFAOYSA-N 1 0 381.479 2.493 20 5 GEBDRO C[C@@H](CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)[S@@](C)=O ZINC000580178428 652368967 /nfs/dbraw/zinc/36/89/67/652368967.db2.gz XTVVGQANQAWUAY-ZRNGKTOUSA-N 1 0 396.250 2.446 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CSc3ccc(Br)cc32)c1 ZINC000582541380 652454612 /nfs/dbraw/zinc/45/46/12/652454612.db2.gz ASDCKMAEIKQZTH-AAEUAGOBSA-N 1 0 399.270 2.351 20 5 GEBDRO C[C@@]1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000584053425 652507206 /nfs/dbraw/zinc/50/72/06/652507206.db2.gz KSNPHACDQBZRFG-CYBMUJFWSA-N 1 0 381.376 2.282 20 5 GEBDRO C[C@H](CNC(=O)c1cc(I)cc([N+](=O)[O-])c1)C[NH+](C)C ZINC000590041986 652572933 /nfs/dbraw/zinc/57/29/33/652572933.db2.gz LBKMZKMEHMJRMX-SECBINFHSA-N 1 0 391.209 2.127 20 5 GEBDRO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000592396644 652593628 /nfs/dbraw/zinc/59/36/28/652593628.db2.gz HZOVLJOURFAPGF-HNNXBMFYSA-N 1 0 381.841 2.495 20 5 GEBDRO COC[C@H](CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)OC ZINC000594954132 652697803 /nfs/dbraw/zinc/69/78/03/652697803.db2.gz BZANEIPTVGEBEI-ZDUSSCGKSA-N 1 0 394.209 2.341 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H](CO)C2CCC2)c1 ZINC000594955519 652697850 /nfs/dbraw/zinc/69/78/50/652697850.db2.gz AKPPKALCRIBVLN-CYBMUJFWSA-N 1 0 376.194 2.450 20 5 GEBDRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[C@H]1c1ccc(F)cc1 ZINC000595121452 652706174 /nfs/dbraw/zinc/70/61/74/652706174.db2.gz ASVZDNKYKPFHNQ-QWHCGFSZSA-N 1 0 385.442 2.301 20 5 GEBDRO Cc1c(Br)c(N2CCC(CO)([NH2+]C(C)C)CC2)ncc1[N+](=O)[O-] ZINC000596249922 652755808 /nfs/dbraw/zinc/75/58/08/652755808.db2.gz CWRSLGKVUMKXDL-UHFFFAOYSA-N 1 0 387.278 2.390 20 5 GEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000598454994 652816673 /nfs/dbraw/zinc/81/66/73/652816673.db2.gz YMUSURYIFOMFGC-CYBMUJFWSA-N 1 0 398.257 2.029 20 5 GEBDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000765195905 652830391 /nfs/dbraw/zinc/83/03/91/652830391.db2.gz URYPKEKECGIHDJ-VHSXEESVSA-N 1 0 392.275 2.118 20 5 GEBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000599106721 652850406 /nfs/dbraw/zinc/85/04/06/652850406.db2.gz IQMQUXYYOXBLMG-NWDGAFQWSA-N 1 0 392.275 2.085 20 5 GEBDRO C[NH+](C)CCOCCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000771182398 653099045 /nfs/dbraw/zinc/09/90/45/653099045.db2.gz RNRSSYOVYBWEGE-UHFFFAOYSA-N 1 0 375.223 2.057 20 5 GEBDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000771957983 653134608 /nfs/dbraw/zinc/13/46/08/653134608.db2.gz AYZMNSZDGLFIRS-JTQLQIEISA-N 1 0 392.275 2.072 20 5 GEBDRO C[NH+]1CCC(CCO)(NCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602609563 653194406 /nfs/dbraw/zinc/19/44/06/653194406.db2.gz DHAZOGICUPKEGN-UHFFFAOYSA-N 1 0 378.292 2.355 20 5 GEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000602834268 653208521 /nfs/dbraw/zinc/20/85/21/653208521.db2.gz XULBJJFTBVHSCL-OAHLLOKOSA-N 1 0 383.246 2.360 20 5 GEBDRO C[C@@H](CCC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000701025860 653319006 /nfs/dbraw/zinc/31/90/06/653319006.db2.gz LWUNYAIWTAZJAL-QMMMGPOBSA-N 1 0 377.182 2.057 20 5 GEBDRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809702585 653290356 /nfs/dbraw/zinc/29/03/56/653290356.db2.gz WDOYSNFVIDJDNB-OCCSQVGLSA-N 1 0 375.878 2.446 20 5 GEBDRO CC1(C)[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)C[C@@H]1[NH3+] ZINC000700973624 653318584 /nfs/dbraw/zinc/31/85/84/653318584.db2.gz DZCNZOJZZUHGMX-WDEREUQCSA-N 1 0 389.193 2.055 20 5 GEBDRO C[C@H](CCC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000701025859 653319111 /nfs/dbraw/zinc/31/91/11/653319111.db2.gz LWUNYAIWTAZJAL-MRVPVSSYSA-N 1 0 377.182 2.057 20 5 GEBDRO CC[NH+](CC)CCS(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Br ZINC000810071434 653321262 /nfs/dbraw/zinc/32/12/62/653321262.db2.gz DNQLXJKRRHBDGT-UHFFFAOYSA-N 1 0 381.248 2.408 20 5 GEBDRO CC1(CC[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)OCCO1 ZINC000810153342 653328361 /nfs/dbraw/zinc/32/83/61/653328361.db2.gz VVIALCKAWRDVFG-UHFFFAOYSA-N 1 0 392.193 2.442 20 5 GEBDRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000859303675 653438046 /nfs/dbraw/zinc/43/80/46/653438046.db2.gz XQDXMKPWXHQHLX-SNVBAGLBSA-N 1 0 379.841 2.398 20 5 GEBDRO Cn1ncc(I)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000877776448 653619477 /nfs/dbraw/zinc/61/94/77/653619477.db2.gz KUKXUJYFVJRIRJ-UHFFFAOYSA-N 1 0 386.193 2.265 20 5 GEBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)[NH+]1CCCC1 ZINC000780704697 653631065 /nfs/dbraw/zinc/63/10/65/653631065.db2.gz QZQOUWLNBBPQPO-JTQLQIEISA-N 1 0 392.275 2.120 20 5 GEBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000815014645 653643599 /nfs/dbraw/zinc/64/35/99/653643599.db2.gz WEDDMWLEWTWEQB-JTQLQIEISA-N 1 0 377.825 2.150 20 5 GEBDRO CS[C@H]1CN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000815028980 653645907 /nfs/dbraw/zinc/64/59/07/653645907.db2.gz IJDWLSNSAPBALS-NEPJUHHUSA-N 1 0 397.881 2.053 20 5 GEBDRO C[C@H](C[NH3+])N(C)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841234385 653711650 /nfs/dbraw/zinc/71/16/50/653711650.db2.gz OLNWFVXYISWALY-SSDOTTSWSA-N 1 0 378.170 2.010 20 5 GEBDRO [NH3+][C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(I)c1)C1CC1 ZINC000841234970 653711759 /nfs/dbraw/zinc/71/17/59/653711759.db2.gz USIBJBKSOPWYII-JTQLQIEISA-N 1 0 390.181 2.058 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H](O)c2ccccc2Cl)cc1 ZINC000819230049 653746751 /nfs/dbraw/zinc/74/67/51/653746751.db2.gz UCWKYZUZUKIEOV-INIZCTEOSA-N 1 0 384.841 2.345 20 5 GEBDRO C[NH+](C)CCn1cc(NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)cn1 ZINC000865084553 653753246 /nfs/dbraw/zinc/75/32/46/653753246.db2.gz CSCAKEGZCKYETD-UHFFFAOYSA-N 1 0 396.245 2.297 20 5 GEBDRO C[C@@H](NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000842699645 653763495 /nfs/dbraw/zinc/76/34/95/653763495.db2.gz PBSZXTPXCATVEC-NXEZZACHSA-N 1 0 392.275 2.024 20 5 GEBDRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000842841686 653770295 /nfs/dbraw/zinc/77/02/95/653770295.db2.gz PPMDXHQHYRWOSQ-JTQLQIEISA-N 1 0 392.275 2.107 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC[C@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000843092597 653778984 /nfs/dbraw/zinc/77/89/84/653778984.db2.gz CCBARSOLGBRGAX-DOMZBBRYSA-N 1 0 389.239 2.172 20 5 GEBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c(Br)c1 ZINC000882726595 653800619 /nfs/dbraw/zinc/80/06/19/653800619.db2.gz YEWALHLRRHTORG-GFCCVEGCSA-N 1 0 385.262 2.490 20 5 GEBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000884353924 653874133 /nfs/dbraw/zinc/87/41/33/653874133.db2.gz IUBKRFYTHGQQKB-MNOVXSKESA-N 1 0 389.193 2.055 20 5 GEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000896447159 653880352 /nfs/dbraw/zinc/88/03/52/653880352.db2.gz QNWHCQYEMGYGJG-FZMZJTMJSA-N 1 0 383.246 2.203 20 5 GEBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000795952066 653979798 /nfs/dbraw/zinc/97/97/98/653979798.db2.gz DQBXWLSFJDNYQR-SNVBAGLBSA-N 1 0 379.841 2.492 20 5 GEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CC[C@H]21 ZINC000827308312 653985367 /nfs/dbraw/zinc/98/53/67/653985367.db2.gz BKNOVGRHMCUXGV-IUODEOHRSA-N 1 0 382.258 2.452 20 5 GEBDRO CN(CC[NH+]1CCCC1)C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796124206 653987423 /nfs/dbraw/zinc/98/74/23/653987423.db2.gz UJMUXYAPFVWSLH-UHFFFAOYSA-N 1 0 399.289 2.348 20 5 GEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850491168 654079083 /nfs/dbraw/zinc/07/90/83/654079083.db2.gz MILHNTMHZGEHGC-FORDYWAESA-N 1 0 381.376 2.213 20 5 GEBDRO O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000900790876 654080325 /nfs/dbraw/zinc/08/03/25/654080325.db2.gz AIOHXNUIGMDNAU-STQMWFEESA-N 1 0 398.257 2.029 20 5 GEBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889744992 654166144 /nfs/dbraw/zinc/16/61/44/654166144.db2.gz QLBUUYLJAPHCSN-CHWSQXEVSA-N 1 0 398.257 2.029 20 5 GEBDRO CN(CC(=O)NC1(C[NH+](C)C)CCC1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000803344057 654274726 /nfs/dbraw/zinc/27/47/26/654274726.db2.gz VDIJICRSGUVQMR-UHFFFAOYSA-N 1 0 399.289 2.394 20 5 GEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000853081931 654278054 /nfs/dbraw/zinc/27/80/54/654278054.db2.gz YSFDKOSCNMNPSR-SNVBAGLBSA-N 1 0 375.756 2.067 20 5 GEBDRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000904462241 654311504 /nfs/dbraw/zinc/31/15/04/654311504.db2.gz OZSKLOBKYHZAPG-NSHDSACASA-N 1 0 387.234 2.118 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(c3ccc(Br)cc3)CC2)c1 ZINC000872245590 654319416 /nfs/dbraw/zinc/31/94/16/654319416.db2.gz CWPJNEMGWFHDMX-OAHLLOKOSA-N 1 0 395.257 2.236 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000905515338 654362414 /nfs/dbraw/zinc/36/24/14/654362414.db2.gz CVJCLQXEDVFSKN-WCQYABFASA-N 1 0 382.360 2.068 20 5 GEBDRO C[C@@]1(Br)C[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000893563842 654408332 /nfs/dbraw/zinc/40/83/32/654408332.db2.gz ULHGLCQOFHNZJY-ZWNOBZJWSA-N 1 0 377.260 2.132 20 5 GEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000933436621 654812964 /nfs/dbraw/zinc/81/29/64/654812964.db2.gz USEWWHXFMIPGOR-SKDRFNHKSA-N 1 0 385.262 2.352 20 5 GEBDRO Cn1cc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)c([N+](=O)[O-])n1 ZINC000933438846 654813473 /nfs/dbraw/zinc/81/34/73/654813473.db2.gz GLRLPRQKSVDXPH-HNNXBMFYSA-N 1 0 383.246 2.174 20 5 GEBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncc([N+](=O)[O-])c3ccccc31)CC2 ZINC001164686328 719715927 /nfs/dbraw/zinc/71/59/27/719715927.db2.gz ZPBNBJABTYHSQM-UHFFFAOYSA-N 1 0 383.452 2.324 20 5 GEBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(OC)c([N+](=O)[O-])cn1)C2 ZINC001164809673 720102622 /nfs/dbraw/zinc/10/26/22/720102622.db2.gz IBVZDJJCAPWINX-BEFAXECRSA-N 1 0 376.457 2.183 20 5 GEBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])C2 ZINC001164811749 720137698 /nfs/dbraw/zinc/13/76/98/720137698.db2.gz NDONITVJKOCPBM-RDTXWAMCSA-N 1 0 396.875 2.066 20 5 GEBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001164820979 720303352 /nfs/dbraw/zinc/30/33/52/720303352.db2.gz INQSMDUUWPRIJY-CVEARBPZSA-N 1 0 391.447 2.040 20 5 GEBDRO Cc1ncc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164833775 720535293 /nfs/dbraw/zinc/53/52/93/720535293.db2.gz BOBUVTKLMNOLHM-YESZJQIVSA-N 1 0 385.472 2.268 20 5 GEBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)CC[C@@H]21 ZINC001164834986 720558203 /nfs/dbraw/zinc/55/82/03/720558203.db2.gz GJODMJWCYABUGG-ZOBUZTSGSA-N 1 0 385.472 2.146 20 5 GEBDRO Cc1cc([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1Cl ZINC001164737253 720669018 /nfs/dbraw/zinc/66/90/18/720669018.db2.gz DUMSXUJEXGDKDC-STQMWFEESA-N 1 0 390.831 2.084 20 5 GEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164751926 720803567 /nfs/dbraw/zinc/80/35/67/720803567.db2.gz YDFUYZZAGUPLKR-IRXDYDNUSA-N 1 0 392.419 2.275 20 5 GEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164751923 720803705 /nfs/dbraw/zinc/80/37/05/720803705.db2.gz YDFUYZZAGUPLKR-IAGOWNOFSA-N 1 0 392.419 2.275 20 5 GEBDRO COc1ncnc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c1[N+](=O)[O-] ZINC001164862977 720960418 /nfs/dbraw/zinc/96/04/18/720960418.db2.gz XNHJTBGLQIGLDW-GFCCVEGCSA-N 1 0 375.433 2.011 20 5 GEBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(Cl)ncc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164761589 721090654 /nfs/dbraw/zinc/09/06/54/721090654.db2.gz CAZFBSAKTFYWKA-ZIAGYGMSSA-N 1 0 376.848 2.335 20 5 GEBDRO O=[N+]([O-])c1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc2[nH]ccc21 ZINC001164867701 721117309 /nfs/dbraw/zinc/11/73/09/721117309.db2.gz ZPIHOCATUASVIL-JKSUJKDBSA-N 1 0 394.435 2.346 20 5 GEBDRO CC[N@@H+]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000158186620 531769364 /nfs/dbraw/zinc/76/93/64/531769364.db2.gz QASNQAJCUHUOFM-UHFFFAOYSA-N 1 0 385.262 2.323 20 5 GEBDRO C[NH+](C)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000162782648 531852230 /nfs/dbraw/zinc/85/22/30/531852230.db2.gz PXJVYHIEIOLTKP-UHFFFAOYSA-N 1 0 381.376 2.328 20 5 GEBDRO Cc1nc(C)c([C@H](C)[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000178005488 532189593 /nfs/dbraw/zinc/18/95/93/532189593.db2.gz TWBXCVOOXQZHSB-JTQLQIEISA-N 1 0 384.483 2.297 20 5 GEBDRO COCC[N@H+](C)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000131969368 532207779 /nfs/dbraw/zinc/20/77/79/532207779.db2.gz IXSHAEMNELQFEB-UHFFFAOYSA-N 1 0 394.653 2.319 20 5 GEBDRO CC(C)c1ncc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000132746302 532220499 /nfs/dbraw/zinc/22/04/99/532220499.db2.gz KNPQVTRAIGIBEM-UHFFFAOYSA-N 1 0 384.483 2.243 20 5 GEBDRO Cc1nc(C)c([C@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000180940898 532286415 /nfs/dbraw/zinc/28/64/15/532286415.db2.gz PAVSTMJLXYEORR-JTQLQIEISA-N 1 0 384.483 2.297 20 5 GEBDRO Cc1c([C@@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000181634647 532303789 /nfs/dbraw/zinc/30/37/89/532303789.db2.gz QWYQNBZCXFYJSX-OLZOCXBDSA-N 1 0 384.479 2.450 20 5 GEBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182648549 532316016 /nfs/dbraw/zinc/31/60/16/532316016.db2.gz MBKZGEFZETZNPS-LBPRGKRZSA-N 1 0 386.905 2.092 20 5 GEBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)CC[NH2+]1 ZINC000278327957 532375033 /nfs/dbraw/zinc/37/50/33/532375033.db2.gz VVFLJQMVVWAJAE-IUCAKERBSA-N 1 0 389.193 2.070 20 5 GEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000590590146 532377633 /nfs/dbraw/zinc/37/76/33/532377633.db2.gz TZEYDUIOYDZEJM-KOLCDFICSA-N 1 0 392.275 2.070 20 5 GEBDRO [NH3+]CCC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000516188217 532382746 /nfs/dbraw/zinc/38/27/46/532382746.db2.gz XYDVWMZERWCYAA-UHFFFAOYSA-N 1 0 385.262 2.357 20 5 GEBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000591682199 532420288 /nfs/dbraw/zinc/42/02/88/532420288.db2.gz SIPMCGHBYWIQMZ-LLVKDONJSA-N 1 0 389.193 2.071 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000517582697 532420658 /nfs/dbraw/zinc/42/06/58/532420658.db2.gz RLEFILISHJCEHO-SCZZXKLOSA-N 1 0 392.275 2.166 20 5 GEBDRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000427933641 532437502 /nfs/dbraw/zinc/43/75/02/532437502.db2.gz RTBIEILNDHBEQU-SECBINFHSA-N 1 0 380.264 2.153 20 5 GEBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H](O)c1ccccc1Br ZINC000295458491 532448999 /nfs/dbraw/zinc/44/89/99/532448999.db2.gz XYOJRCFCVJJKFL-OAHLLOKOSA-N 1 0 396.241 2.184 20 5 GEBDRO C[NH+](C)CCn1nnnc1SCc1ccc(Br)cc1[N+](=O)[O-] ZINC000592344634 532450648 /nfs/dbraw/zinc/45/06/48/532450648.db2.gz HLJZBFVZSHMPPR-UHFFFAOYSA-N 1 0 387.263 2.198 20 5 GEBDRO C[C@H](CCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000563117773 532498015 /nfs/dbraw/zinc/49/80/15/532498015.db2.gz YFMOGGOJTRVXLG-MRVPVSSYSA-N 1 0 377.182 2.057 20 5 GEBDRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000296996478 532559076 /nfs/dbraw/zinc/55/90/76/532559076.db2.gz ZSWBDCKEDNEVNW-VIFPVBQESA-N 1 0 382.269 2.474 20 5 GEBDRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000296996475 532559388 /nfs/dbraw/zinc/55/93/88/532559388.db2.gz ZSWBDCKEDNEVNW-SECBINFHSA-N 1 0 382.269 2.474 20 5 GEBDRO O=C(C[NH+]1CCCC1)N1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596112720 532586943 /nfs/dbraw/zinc/58/69/43/532586943.db2.gz SVBLHLQTMANOTF-UHFFFAOYSA-N 1 0 397.273 2.102 20 5 GEBDRO Cc1c(Br)c(N[C@@H](C)CC[NH+]2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000472683252 532579712 /nfs/dbraw/zinc/57/97/12/532579712.db2.gz LXKAAKWSVACATR-NSHDSACASA-N 1 0 386.294 2.499 20 5 GEBDRO COc1c[nH+]ccc1N1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000481046013 532665538 /nfs/dbraw/zinc/66/55/38/532665538.db2.gz XUILGIQXBOMPMK-UHFFFAOYSA-N 1 0 394.229 2.483 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000439240885 532686426 /nfs/dbraw/zinc/68/64/26/532686426.db2.gz XMEVTCCDUUZXCO-VIFPVBQESA-N 1 0 394.291 2.284 20 5 GEBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])CCC1 ZINC000567896603 532670648 /nfs/dbraw/zinc/67/06/48/532670648.db2.gz FDNOCQNJDBUFAE-UHFFFAOYSA-N 1 0 389.193 2.119 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H]2c2cccc(Br)c2)c1 ZINC000378642539 532700192 /nfs/dbraw/zinc/70/01/92/532700192.db2.gz GKIMILLMEVHIPS-LSDHHAIUSA-N 1 0 381.230 2.362 20 5 GEBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1F ZINC000285539192 532688967 /nfs/dbraw/zinc/68/89/67/532688967.db2.gz FWSYUXNWWBTJKB-SKDRFNHKSA-N 1 0 387.209 2.405 20 5 GEBDRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000440409849 532713477 /nfs/dbraw/zinc/71/34/77/532713477.db2.gz VIYITQCPGLZJLM-ZJUUUORDSA-N 1 0 392.275 2.105 20 5 GEBDRO O=C(C[NH2+][C@@H]1CCC[C@H]1CCO)Nc1ccc([N+](=O)[O-])cc1Br ZINC000502856015 532742509 /nfs/dbraw/zinc/74/25/09/532742509.db2.gz NKTCMGXDQGKOAI-GXFFZTMASA-N 1 0 386.246 2.437 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCNc2cnccn2)c1 ZINC000583053645 532762922 /nfs/dbraw/zinc/76/29/22/532762922.db2.gz NAECNGWJYSGLSB-UHFFFAOYSA-N 1 0 399.192 2.191 20 5 GEBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)CC[C@H]1[NH3+] ZINC000269308380 532780022 /nfs/dbraw/zinc/78/00/22/532780022.db2.gz ZSHCJVAOJZVCMG-PRHODGIISA-N 1 0 389.193 2.009 20 5 GEBDRO Cn1cnc(CC[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)c1 ZINC000459667882 532797522 /nfs/dbraw/zinc/79/75/22/532797522.db2.gz SRFWSSRAHKYYDC-UHFFFAOYSA-N 1 0 386.193 2.265 20 5 GEBDRO C[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1[NH+](C)C ZINC000330663956 532824253 /nfs/dbraw/zinc/82/42/53/532824253.db2.gz XYGKBGRJKPGICB-YGRLFVJLSA-N 1 0 385.262 2.178 20 5 GEBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000331197338 532835560 /nfs/dbraw/zinc/83/55/60/532835560.db2.gz YVCXOEZAKPPGAD-NSHDSACASA-N 1 0 392.275 2.120 20 5 GEBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2C[C@H](O)C[C@H]2CO)cc1 ZINC000359974497 212129248 /nfs/dbraw/zinc/12/92/48/212129248.db2.gz OXHQZHBTZVUOBL-VQTJNVASSA-N 1 0 394.431 2.375 20 5 GEBDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289424147 532854414 /nfs/dbraw/zinc/85/44/14/532854414.db2.gz CXOTVOMYRRUSSZ-NTCNTBNZSA-N 1 0 382.223 2.056 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@@H]2CC[C@H](O)C2)c1 ZINC000289594133 532859857 /nfs/dbraw/zinc/85/98/57/532859857.db2.gz ULACFHBPZVAXCP-RNCFNFMXSA-N 1 0 376.194 2.450 20 5 GEBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000289665819 532862927 /nfs/dbraw/zinc/86/29/27/532862927.db2.gz BVOMJTSJYSBLNV-SNVBAGLBSA-N 1 0 379.841 2.492 20 5 GEBDRO CC[N@H+](CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000416392486 532875150 /nfs/dbraw/zinc/87/51/50/532875150.db2.gz UZIIMBKTIQXVHG-UHFFFAOYSA-N 1 0 381.376 2.376 20 5 GEBDRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416394642 532875539 /nfs/dbraw/zinc/87/55/39/532875539.db2.gz XJSYZDIQMIQGRH-SNVBAGLBSA-N 1 0 381.376 2.186 20 5 GEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000420457746 532883672 /nfs/dbraw/zinc/88/36/72/532883672.db2.gz JGUPEZZHYKDUCK-GXTWGEPZSA-N 1 0 381.841 2.282 20 5 GEBDRO CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290921226 532892752 /nfs/dbraw/zinc/89/27/52/532892752.db2.gz QOJPFHOYXZDAME-VIFPVBQESA-N 1 0 382.269 2.273 20 5 GEBDRO C[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000364378009 532906507 /nfs/dbraw/zinc/90/65/07/532906507.db2.gz CGSCBDCGMWKTFJ-GFCCVEGCSA-N 1 0 398.305 2.357 20 5 GEBDRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C2)C1 ZINC000292819752 532918942 /nfs/dbraw/zinc/91/89/42/532918942.db2.gz NXOVRXVPYGODIO-OAHLLOKOSA-N 1 0 391.852 2.494 20 5 GEBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C[C@@H]2C1 ZINC000367718828 532926712 /nfs/dbraw/zinc/92/67/12/532926712.db2.gz GFBAESYHXLKVNF-DTORHVGOSA-N 1 0 380.253 2.084 20 5 GEBDRO C[NH+](C)CCn1nccc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000294184671 532936513 /nfs/dbraw/zinc/93/65/13/532936513.db2.gz UAHDRIMFDSLOEQ-UHFFFAOYSA-N 1 0 388.247 2.429 20 5 GEBDRO C[NH+](C)CCn1nccc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000294282666 532937603 /nfs/dbraw/zinc/93/76/03/532937603.db2.gz ZWURECPYHQZKCJ-UHFFFAOYSA-N 1 0 382.218 2.368 20 5 GEBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1I)C[NH+](C)C ZINC000294450638 532939580 /nfs/dbraw/zinc/93/95/80/532939580.db2.gz ZQKMLLGLPFELFZ-SECBINFHSA-N 1 0 391.209 2.127 20 5 GEBDRO CNS(=O)(=O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000370856235 532945619 /nfs/dbraw/zinc/94/56/19/532945619.db2.gz MIATTWJNZGPMKG-LBPRGKRZSA-N 1 0 381.376 2.127 20 5 GEBDRO O=[N+]([O-])c1ccc2nc(NC[C@H]3CC[N@@H+](C4CC4)C3)cc(-c3nn[nH]n3)c2c1 ZINC000738366109 599273312 /nfs/dbraw/zinc/27/33/12/599273312.db2.gz CODYISVNDOGRQX-LLVKDONJSA-N 1 0 380.412 2.219 20 5 GEBDRO Cc1cccc(NC[C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])C2)[nH+]1 ZINC000737399972 598671518 /nfs/dbraw/zinc/67/15/18/598671518.db2.gz QMZLDVXSHJPSGZ-CYBMUJFWSA-N 1 0 380.412 2.417 20 5 GEBDRO Cc1cc[nH+]c(NC[C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])C2)c1 ZINC000737438048 598671779 /nfs/dbraw/zinc/67/17/79/598671779.db2.gz XYJQJWUOWFYZTI-CYBMUJFWSA-N 1 0 380.412 2.417 20 5 GEBDRO C[NH+](C)CCOc1ccc(CCNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1 ZINC000736769925 598797247 /nfs/dbraw/zinc/79/72/47/598797247.db2.gz XJRBFRBSPGWRFA-UHFFFAOYSA-N 1 0 397.439 2.370 20 5 GEBDRO C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000820409878 599387888 /nfs/dbraw/zinc/38/78/88/599387888.db2.gz BFEDSBMIMQZBJZ-VXGBXAGGSA-N 1 0 381.396 2.453 20 5 GEBDRO CC(C)[NH2+][C@@H]1CCCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820137893 599508552 /nfs/dbraw/zinc/50/85/52/599508552.db2.gz PRQQLKKXSKKTAT-GFCCVEGCSA-N 1 0 382.428 2.290 20 5 GEBDRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1c1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821625255 599539459 /nfs/dbraw/zinc/53/94/59/599539459.db2.gz JJDYSTJIMSSSHG-DLBZAZTESA-N 1 0 394.439 2.386 20 5 GEBDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000824779979 607679671 /nfs/dbraw/zinc/67/96/71/607679671.db2.gz YYVMRQIOONKHPV-GFCCVEGCSA-N 1 0 395.427 2.202 20 5 GEBDRO O=[N+]([O-])c1cnc(N2CCC(CCC[NH+]3CCCC3)CC2)c(-c2nn[nH]n2)c1 ZINC000826500541 607734267 /nfs/dbraw/zinc/73/42/67/607734267.db2.gz BNBBNQHANDURIE-UHFFFAOYSA-N 1 0 386.460 2.262 20 5 GEBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000826497226 607734574 /nfs/dbraw/zinc/73/45/74/607734574.db2.gz YVWXLXODACDRSE-UHFFFAOYSA-N 1 0 386.460 2.262 20 5 GEBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820705543 606710495 /nfs/dbraw/zinc/71/04/95/606710495.db2.gz UZXGBYGEPSHVIU-KBPBESRZSA-N 1 0 386.460 2.261 20 5 GEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000820226413 606994576 /nfs/dbraw/zinc/99/45/76/606994576.db2.gz VJZJHWNMLABPGY-LBPRGKRZSA-N 1 0 381.396 2.282 20 5 GEBDRO Cc1cc(N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)ncc1[N+](=O)[O-] ZINC000822206058 607114699 /nfs/dbraw/zinc/11/46/99/607114699.db2.gz SKAILEIZLRWIHM-UHFFFAOYSA-N 1 0 382.428 2.047 20 5 GEBDRO COc1ccc(C[C@@](C)([NH3+])CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])cc1 ZINC000826191068 607838172 /nfs/dbraw/zinc/83/81/72/607838172.db2.gz WGCGWNPDBPYVHW-GOSISDBHSA-N 1 0 383.412 2.156 20 5 GEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824384369 608285151 /nfs/dbraw/zinc/28/51/51/608285151.db2.gz BEKBFKIWNIFZLF-NSHDSACASA-N 1 0 399.386 2.421 20 5 GEBDRO CCC[N@@H+]1CC[C@@H](CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000825328370 608372801 /nfs/dbraw/zinc/37/28/01/608372801.db2.gz QRZBZVWTZOFJCI-LBPRGKRZSA-N 1 0 382.428 2.467 20 5 GEBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554930 608460676 /nfs/dbraw/zinc/46/06/76/608460676.db2.gz SXJUAAYTPPMDOX-GFCCVEGCSA-N 1 0 393.407 2.015 20 5 GEBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000824553987 608482882 /nfs/dbraw/zinc/48/28/82/608482882.db2.gz LGZWFPKPVNTZEM-LBPRGKRZSA-N 1 0 393.407 2.015 20 5 GEBDRO COC[C@](C)(O)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449383286 650039548 /nfs/dbraw/zinc/03/95/48/650039548.db2.gz GGGNLHIWJWSGSH-CYBMUJFWSA-N 1 0 394.209 2.077 20 5 GEBDRO C[C@H](Cn1cccn1)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000501260629 650388591 /nfs/dbraw/zinc/38/85/91/650388591.db2.gz FODGTACTAVYSTN-SNVBAGLBSA-N 1 0 382.218 2.171 20 5 GEBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000515648465 650593327 /nfs/dbraw/zinc/59/33/27/650593327.db2.gz YZXJAMPTJZVWQL-LLVKDONJSA-N 1 0 381.376 2.376 20 5 GEBDRO CSc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008169612 642348940 /nfs/dbraw/zinc/34/89/40/642348940.db2.gz POQKVIVAYYNNAY-UHFFFAOYSA-N 1 0 381.479 2.385 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000490045266 650766836 /nfs/dbraw/zinc/76/68/36/650766836.db2.gz ADVDFLHVASHKFF-SECBINFHSA-N 1 0 394.291 2.142 20 5 GEBDRO C[NH+](C)C1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000103154419 643156351 /nfs/dbraw/zinc/15/63/51/643156351.db2.gz QPYNILRBYNZHMS-UHFFFAOYSA-N 1 0 392.275 2.072 20 5 GEBDRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000124866039 643691229 /nfs/dbraw/zinc/69/12/29/643691229.db2.gz PDYOBYSPPNTUBV-UHFFFAOYSA-N 1 0 392.275 2.248 20 5 GEBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000237125049 645424075 /nfs/dbraw/zinc/42/40/75/645424075.db2.gz AGMQDFDSDVPCQX-JTQLQIEISA-N 1 0 389.193 2.023 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)NC2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000237724904 645439656 /nfs/dbraw/zinc/43/96/56/645439656.db2.gz KJAYHKCNEJFMKT-UHFFFAOYSA-N 1 0 392.275 2.214 20 5 GEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000261921036 645611658 /nfs/dbraw/zinc/61/16/58/645611658.db2.gz ZKGABBCPWIONGN-BDAKNGLRSA-N 1 0 389.193 2.009 20 5 GEBDRO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000262055280 645616068 /nfs/dbraw/zinc/61/60/68/645616068.db2.gz QOXHQJDHJJNDAS-UHFFFAOYSA-N 1 0 383.857 2.440 20 5 GEBDRO CC(C)[C@H](CNc1ncc([N+](=O)[O-])cc1Br)N1CC[NH+](C)CC1 ZINC000267231107 645889879 /nfs/dbraw/zinc/88/98/79/645889879.db2.gz KZRAMLVKSPLDGO-AWEZNQCLSA-N 1 0 386.294 2.436 20 5 GEBDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000269353861 646030147 /nfs/dbraw/zinc/03/01/47/646030147.db2.gz LPBPXGZMKYKLBP-SNVBAGLBSA-N 1 0 392.275 2.072 20 5 GEBDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269493821 646040483 /nfs/dbraw/zinc/04/04/83/646040483.db2.gz URKOAFYQJFLBCP-UHFFFAOYSA-N 1 0 392.275 2.072 20 5 GEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000272186554 646261496 /nfs/dbraw/zinc/26/14/96/646261496.db2.gz DTIOTSPDPGMEED-IUCAKERBSA-N 1 0 389.193 2.009 20 5 GEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000272286559 646263721 /nfs/dbraw/zinc/26/37/21/646263721.db2.gz PBUCDRHQHKFFBE-RKDXNWHRSA-N 1 0 389.193 2.009 20 5 GEBDRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000277672973 646459879 /nfs/dbraw/zinc/45/98/79/646459879.db2.gz GFTPXPMKRWVZEK-GFCCVEGCSA-N 1 0 391.877 2.027 20 5 GEBDRO C[C@@H](CNc1c(I)cncc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000418850095 648317295 /nfs/dbraw/zinc/31/72/95/648317295.db2.gz NQBSEMDJKUTTOS-JTQLQIEISA-N 1 0 390.225 2.160 20 5 GEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1c(I)cncc1[N+](=O)[O-] ZINC000418859421 648319164 /nfs/dbraw/zinc/31/91/64/648319164.db2.gz ATVALXVHTMOQEK-SNVBAGLBSA-N 1 0 390.225 2.372 20 5 GEBDRO C[C@@H]1CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000563102427 651510021 /nfs/dbraw/zinc/51/00/21/651510021.db2.gz ZGRZFVPTNJOQML-PELKAZGASA-N 1 0 389.193 2.009 20 5 GEBDRO C[C@H]1C[C@@H](NC(=O)c2cc(I)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000566205875 651602522 /nfs/dbraw/zinc/60/25/22/651602522.db2.gz HHXFTJCNCLUUGZ-KWQFWETISA-N 1 0 389.193 2.070 20 5 GEBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC12CCOCC2 ZINC000567845939 651637612 /nfs/dbraw/zinc/63/76/12/651637612.db2.gz NJQCTXAZIJKJEQ-NSHDSACASA-N 1 0 398.257 2.185 20 5 GEBDRO CN(c1ncc([N+](=O)[O-])cc1Br)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000610512410 651666955 /nfs/dbraw/zinc/66/69/55/651666955.db2.gz YXAGJHJKENLAFN-CYBMUJFWSA-N 1 0 398.305 2.357 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCc3c2cccc3Br)c1 ZINC000571198466 651816936 /nfs/dbraw/zinc/81/69/36/651816936.db2.gz LHUUDUNVHXTEBD-NHYWBVRUSA-N 1 0 381.230 2.192 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Br)cc2)c1 ZINC000571315915 651825409 /nfs/dbraw/zinc/82/54/09/651825409.db2.gz QOWLKTBKDDRWKB-SOUVJXGZSA-N 1 0 381.230 2.060 20 5 GEBDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000571452455 651833243 /nfs/dbraw/zinc/83/32/43/651833243.db2.gz QIJOWDPPMMGPPJ-PELKAZGASA-N 1 0 396.250 2.401 20 5 GEBDRO CC[NH+](CC)CCOCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000571961797 651863430 /nfs/dbraw/zinc/86/34/30/651863430.db2.gz ZVHSOLVBUCNULZ-UHFFFAOYSA-N 1 0 388.262 2.446 20 5 GEBDRO CC[NH+](CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000742402649 651987666 /nfs/dbraw/zinc/98/76/66/651987666.db2.gz SSYXITOENTZDRT-UHFFFAOYSA-N 1 0 399.289 2.348 20 5 GEBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000574262956 652011736 /nfs/dbraw/zinc/01/17/36/652011736.db2.gz KBJZFFPSNKQTPD-JSGCOSHPSA-N 1 0 385.262 2.475 20 5 GEBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c(Br)c1 ZINC000574703861 652037443 /nfs/dbraw/zinc/03/74/43/652037443.db2.gz OKYMHKQQVVBZGS-GFCCVEGCSA-N 1 0 385.262 2.443 20 5 GEBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000576389498 652112641 /nfs/dbraw/zinc/11/26/41/652112641.db2.gz YPQZPOYJQNULQC-BDAKNGLRSA-N 1 0 389.193 2.009 20 5 GEBDRO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)CC1(CO)CC1 ZINC000579293485 652331179 /nfs/dbraw/zinc/33/11/79/652331179.db2.gz HVHOMZGYZKOYPH-UHFFFAOYSA-N 1 0 376.194 2.404 20 5 GEBDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000754322904 652433287 /nfs/dbraw/zinc/43/32/87/652433287.db2.gz XYZIDHORLBTMPW-UHFFFAOYSA-N 1 0 394.291 2.320 20 5 GEBDRO O=[N+]([O-])c1cc(I)cc(C[N@H+](CCO)CC2CC2)c1 ZINC000583593285 652490954 /nfs/dbraw/zinc/49/09/54/652490954.db2.gz STTRNLSHRQJODX-UHFFFAOYSA-N 1 0 376.194 2.404 20 5 GEBDRO CC[NH+](CC)CCOCCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000758583401 652547846 /nfs/dbraw/zinc/54/78/46/652547846.db2.gz PNUBUECDGNZPLF-UHFFFAOYSA-N 1 0 393.893 2.193 20 5 GEBDRO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000592398733 652593568 /nfs/dbraw/zinc/59/35/68/652593568.db2.gz SCUKZPWWCJGWCQ-HNNXBMFYSA-N 1 0 381.841 2.495 20 5 GEBDRO Cc1cc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cnc1Cl ZINC000760677511 652620258 /nfs/dbraw/zinc/62/02/58/652620258.db2.gz RJXGLNCUXCBICU-UHFFFAOYSA-N 1 0 384.845 2.020 20 5 GEBDRO COC[C@@H](CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)OC ZINC000594954131 652697685 /nfs/dbraw/zinc/69/76/85/652697685.db2.gz BZANEIPTVGEBEI-CYBMUJFWSA-N 1 0 394.209 2.341 20 5 GEBDRO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000594964936 652698362 /nfs/dbraw/zinc/69/83/62/652698362.db2.gz FDGKQVLSPUUJFZ-CABCVRRESA-N 1 0 382.463 2.225 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)s1 ZINC000595119464 652705975 /nfs/dbraw/zinc/70/59/75/652705975.db2.gz AETXOHGWSAMAHR-CHWSQXEVSA-N 1 0 385.442 2.219 20 5 GEBDRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000596051922 652752428 /nfs/dbraw/zinc/75/24/28/652752428.db2.gz RFHAXDZZTYKUEM-VIFPVBQESA-N 1 0 395.281 2.124 20 5 GEBDRO Cc1c(Br)cc(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599103375 652850142 /nfs/dbraw/zinc/85/01/42/652850142.db2.gz IEHRHWOVSJTJHE-SCZZXKLOSA-N 1 0 392.275 2.085 20 5 GEBDRO Cc1c(NC(=O)NC2(C[NH3+])CCOCC2)cc(Br)cc1[N+](=O)[O-] ZINC000599605884 652879995 /nfs/dbraw/zinc/87/99/95/652879995.db2.gz GJMBWUGTMWLCPJ-UHFFFAOYSA-N 1 0 387.234 2.295 20 5 GEBDRO CS[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C[C@@H]1[NH+](C)C ZINC000767314618 652919463 /nfs/dbraw/zinc/91/94/63/652919463.db2.gz HSVZQOJQVRFOHB-STQMWFEESA-N 1 0 393.918 2.223 20 5 GEBDRO CS[C@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@@H]1[NH+]1CCCC1 ZINC000601145890 652956399 /nfs/dbraw/zinc/95/63/99/652956399.db2.gz VASFGWIBSUDUNY-UWVGGRQHSA-N 1 0 379.408 2.363 20 5 GEBDRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601363799 653088521 /nfs/dbraw/zinc/08/85/21/653088521.db2.gz XTKWFJQYTLEUSK-ZDUSSCGKSA-N 1 0 391.515 2.086 20 5 GEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000601422801 653094044 /nfs/dbraw/zinc/09/40/44/653094044.db2.gz ZMEANJVBAOALEH-ONGXEEELSA-N 1 0 381.376 2.327 20 5 GEBDRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000768834999 653129545 /nfs/dbraw/zinc/12/95/45/653129545.db2.gz PYPHYXUHTLRVCV-JSGCOSHPSA-N 1 0 391.515 2.072 20 5 GEBDRO O=[N+]([O-])c1cccc(Br)c1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000769327672 653149040 /nfs/dbraw/zinc/14/90/40/653149040.db2.gz KJWHBEBNZAXYFB-JKSUJKDBSA-N 1 0 384.274 2.388 20 5 GEBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000807271214 653188505 /nfs/dbraw/zinc/18/85/05/653188505.db2.gz PAOQJOCFSQOHNR-LBPRGKRZSA-N 1 0 399.289 2.394 20 5 GEBDRO C[C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)C[NH2+]1 ZINC000602555527 653190848 /nfs/dbraw/zinc/19/08/48/653190848.db2.gz RGFOWURPGAFXNK-IUCAKERBSA-N 1 0 389.193 2.070 20 5 GEBDRO O=[N+]([O-])c1sc(C[NH2+]CC2(OCCO)CCOCC2)cc1Br ZINC000602659725 653198975 /nfs/dbraw/zinc/19/89/75/653198975.db2.gz VWXYHTGICCIUFP-UHFFFAOYSA-N 1 0 395.275 2.067 20 5 GEBDRO Cn1ncc(Br)c1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602735162 653203454 /nfs/dbraw/zinc/20/34/54/653203454.db2.gz RUDNWULVWNNJQD-UHFFFAOYSA-N 1 0 395.261 2.244 20 5 GEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](Oc3cncc(Br)c3)C2)n1 ZINC000602886070 653212714 /nfs/dbraw/zinc/21/27/14/653212714.db2.gz IUUUQVODAFRADI-LBPRGKRZSA-N 1 0 382.218 2.102 20 5 GEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000774438362 653237271 /nfs/dbraw/zinc/23/72/71/653237271.db2.gz VRUPTHQOPNUWAL-NSHDSACASA-N 1 0 385.262 2.460 20 5 GEBDRO [NH3+]CC1(CCNC(=O)c2cc([N+](=O)[O-])ccc2I)CC1 ZINC000700973677 653318704 /nfs/dbraw/zinc/31/87/04/653318704.db2.gz GDBPVJLICCJXBF-UHFFFAOYSA-N 1 0 389.193 2.058 20 5 GEBDRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc([N+](=O)[O-])cc1Br ZINC000877333475 653477031 /nfs/dbraw/zinc/47/70/31/653477031.db2.gz WBCJRXPLCNQDDF-GFCCVEGCSA-N 1 0 398.257 2.246 20 5 GEBDRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000780865725 653633916 /nfs/dbraw/zinc/63/39/16/653633916.db2.gz CCSIDDZLFLUSJJ-JTQLQIEISA-N 1 0 392.275 2.120 20 5 GEBDRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000815018575 653643829 /nfs/dbraw/zinc/64/38/29/653643829.db2.gz UGHXGZUQQSFILI-VHSXEESVSA-N 1 0 379.841 2.491 20 5 GEBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000815019844 653644371 /nfs/dbraw/zinc/64/43/71/653644371.db2.gz PGHKFCXOOJDUFL-LLVKDONJSA-N 1 0 391.852 2.494 20 5 GEBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000841161464 653708640 /nfs/dbraw/zinc/70/86/40/653708640.db2.gz LAYJPXPIABOVMQ-SNVBAGLBSA-N 1 0 379.161 2.476 20 5 GEBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)CC[NH2+]1 ZINC000841233626 653711485 /nfs/dbraw/zinc/71/14/85/653711485.db2.gz AKVNNRTUECSQPE-QMMMGPOBSA-N 1 0 390.181 2.025 20 5 GEBDRO CC[C@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841233991 653711604 /nfs/dbraw/zinc/71/16/04/653711604.db2.gz MBTNZZLXLDWVMY-ZETCQYMHSA-N 1 0 378.170 2.058 20 5 GEBDRO O=C(NCC[NH2+]C1CC1)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841235058 653711754 /nfs/dbraw/zinc/71/17/54/653711754.db2.gz VKFKQFARVYMOFE-UHFFFAOYSA-N 1 0 390.181 2.073 20 5 GEBDRO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000842483647 653758063 /nfs/dbraw/zinc/75/80/63/653758063.db2.gz OENAFDQRMHCCCE-LLVKDONJSA-N 1 0 380.264 2.009 20 5 GEBDRO CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000842483382 653758098 /nfs/dbraw/zinc/75/80/98/653758098.db2.gz JOHOHBFWXSVICC-NSHDSACASA-N 1 0 380.264 2.009 20 5 GEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842689541 653762987 /nfs/dbraw/zinc/76/29/87/653762987.db2.gz IRDVWSIWOIEPNO-BXKDBHETSA-N 1 0 392.275 2.248 20 5 GEBDRO CC(C)(CCC[NH3+])NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000842871483 653771367 /nfs/dbraw/zinc/77/13/67/653771367.db2.gz CIBVZJXMIJEYEV-UHFFFAOYSA-N 1 0 380.264 2.153 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)cc1Br ZINC000842895718 653772703 /nfs/dbraw/zinc/77/27/03/653772703.db2.gz PNTITFXMFYPTAC-JTQLQIEISA-N 1 0 392.275 2.168 20 5 GEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC[C@@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000843092599 653778879 /nfs/dbraw/zinc/77/88/79/653778879.db2.gz CCBARSOLGBRGAX-SWLSCSKDSA-N 1 0 389.239 2.172 20 5 GEBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000882485033 653784515 /nfs/dbraw/zinc/78/45/15/653784515.db2.gz FBMDHXBVLQIMEF-JTQLQIEISA-N 1 0 389.193 2.023 20 5 GEBDRO Cc1c(Br)c(N2CCC([NH+]3CCN(C)CC3)CC2)ncc1[N+](=O)[O-] ZINC000866212531 653788826 /nfs/dbraw/zinc/78/88/26/653788826.db2.gz LJTZGZYMTQHJAT-UHFFFAOYSA-N 1 0 398.305 2.277 20 5 GEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c(C(F)(F)F)c1 ZINC000866827280 653834035 /nfs/dbraw/zinc/83/40/35/653834035.db2.gz KPICAUGDFJXASQ-NEPJUHHUSA-N 1 0 379.360 2.129 20 5 GEBDRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000883474585 653841619 /nfs/dbraw/zinc/84/16/19/653841619.db2.gz XAGVFYJSJXEVLB-SNVBAGLBSA-N 1 0 392.275 2.120 20 5 GEBDRO COC(=O)[C@]12C[N@H+](Cc3c(Br)cccc3[N+](=O)[O-])C[C@H]1COCC2 ZINC000793344338 653875822 /nfs/dbraw/zinc/87/58/22/653875822.db2.gz SCRXKKDVVXPTFI-MEDUHNTESA-N 1 0 399.241 2.369 20 5 GEBDRO [NH3+]CCC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000846234200 653892420 /nfs/dbraw/zinc/89/24/20/653892420.db2.gz BTKUYMYRJLDFMQ-UHFFFAOYSA-N 1 0 392.275 2.107 20 5 GEBDRO CN(CC(=O)NC1CC[NH+](C)CC1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000794619838 653913577 /nfs/dbraw/zinc/91/35/77/653913577.db2.gz DLNFZVDZILBHJO-UHFFFAOYSA-N 1 0 385.262 2.004 20 5 GEBDRO CC(C)[NH+]1CCN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000795087051 653929690 /nfs/dbraw/zinc/92/96/90/653929690.db2.gz VRZOTERLGMWYJI-UHFFFAOYSA-N 1 0 399.289 2.346 20 5 GEBDRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897764427 653936784 /nfs/dbraw/zinc/93/67/84/653936784.db2.gz GKGMGUBYRJQRHB-QMMMGPOBSA-N 1 0 380.203 2.227 20 5 GEBDRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897764426 653936890 /nfs/dbraw/zinc/93/68/90/653936890.db2.gz GKGMGUBYRJQRHB-MRVPVSSYSA-N 1 0 380.203 2.227 20 5 GEBDRO CS[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@@H]1[NH+](C)C ZINC000795897302 653975886 /nfs/dbraw/zinc/97/58/86/653975886.db2.gz SYSKZFSQMPYXOF-QWRGUYRKSA-N 1 0 397.881 2.053 20 5 GEBDRO C[N@@H+]1CC[C@H]2CN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827233652 653982079 /nfs/dbraw/zinc/98/20/79/653982079.db2.gz QWBHKRJWXDBFEN-JSGCOSHPSA-N 1 0 382.258 2.452 20 5 GEBDRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000886890909 654007271 /nfs/dbraw/zinc/00/72/71/654007271.db2.gz YOPOIHDGMGLPJU-JTQLQIEISA-N 1 0 392.275 2.038 20 5 GEBDRO COCCC1(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC[NH2+]CC1 ZINC000868042606 654015744 /nfs/dbraw/zinc/01/57/44/654015744.db2.gz UFYPOAWWGKIVKW-UHFFFAOYSA-N 1 0 386.246 2.246 20 5 GEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)C2)C1 ZINC000868534952 654042246 /nfs/dbraw/zinc/04/22/46/654042246.db2.gz NRCSFAPADDHSGI-INIZCTEOSA-N 1 0 382.258 2.454 20 5 GEBDRO CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c2c[nH+]ccc21 ZINC000798226847 654055272 /nfs/dbraw/zinc/05/52/72/654055272.db2.gz HBPBYPPVFIEBTJ-UHFFFAOYSA-N 1 0 386.792 2.427 20 5 GEBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1I)[NH+](C)C ZINC000829320484 654064950 /nfs/dbraw/zinc/06/49/50/654064950.db2.gz ROYXHYNPYUKUEB-VIFPVBQESA-N 1 0 391.209 2.269 20 5 GEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850492947 654079460 /nfs/dbraw/zinc/07/94/60/654079460.db2.gz UEGNJFCBNDMYOO-REFGNXHDSA-N 1 0 381.376 2.213 20 5 GEBDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000851821291 654183338 /nfs/dbraw/zinc/18/33/38/654183338.db2.gz QFFMIGANEWSMCP-JTQLQIEISA-N 1 0 392.275 2.120 20 5 GEBDRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000851994356 654211114 /nfs/dbraw/zinc/21/11/14/654211114.db2.gz SORBKNAOUKCJJN-CQSZACIVSA-N 1 0 376.350 2.013 20 5 GEBDRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000903577476 654260019 /nfs/dbraw/zinc/26/00/19/654260019.db2.gz MNYKHRNOLKBBIW-NSHDSACASA-N 1 0 392.275 2.120 20 5 GEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(Br)cn1 ZINC000872233633 654318365 /nfs/dbraw/zinc/31/83/65/654318365.db2.gz DJTAZUQZLOVHFQ-ZDUSSCGKSA-N 1 0 382.214 2.282 20 5 GEBDRO CCN(C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000855361559 654415028 /nfs/dbraw/zinc/41/50/28/654415028.db2.gz WMERTTCYGXJDDG-ZDUSSCGKSA-N 1 0 399.289 2.346 20 5 GEBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc([N+](=O)[O-])ccc1Br ZINC000906442268 654437646 /nfs/dbraw/zinc/43/76/46/654437646.db2.gz YRAZJKDUFFZNDL-CYBMUJFWSA-N 1 0 398.257 2.340 20 5 GEBDRO C[NH+](C)CC1(O)CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000913678555 654803940 /nfs/dbraw/zinc/80/39/40/654803940.db2.gz NSWLGZZVKASFIR-UHFFFAOYSA-N 1 0 387.889 2.255 20 5 GEBDRO CS[C@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C[C@@H]1[NH+](C)C ZINC000935111500 654876357 /nfs/dbraw/zinc/87/63/57/654876357.db2.gz PSPGWXZEACBMRA-UWVGGRQHSA-N 1 0 376.841 2.087 20 5 GEBDRO