smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(Cl)ncc1[N+](=O)[O-])CC2 ZINC001164649749 719306903 /nfs/dbraw/zinc/30/69/03/719306903.db2.gz XQBAOKMJFWXLJV-UHFFFAOYSA-N 1 1 379.852 2.440 20 5 GEBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C)cc(OC)c1[N+](=O)[O-])C2 ZINC001164809950 720107361 /nfs/dbraw/zinc/10/73/61/720107361.db2.gz IWLPDYMPBIOVFL-JXFKEZNVSA-N 1 1 390.484 2.492 20 5 GEBDMO COC(=O)c1ccnc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164726559 720396558 /nfs/dbraw/zinc/39/65/58/720396558.db2.gz PNAWBUYDJHNMEA-JKSUJKDBSA-N 1 1 383.408 2.025 20 5 GEBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164727874 720409771 /nfs/dbraw/zinc/40/97/71/720409771.db2.gz SAICEVHMAWEEFH-ROUUACIJSA-N 1 1 397.435 2.415 20 5 GEBDMO O=[N+]([O-])c1cccc2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc21 ZINC001164736686 720685052 /nfs/dbraw/zinc/68/50/52/720685052.db2.gz AKPZASOTNVVSOL-JKSUJKDBSA-N 1 1 392.419 2.275 20 5 GEBDMO Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ccc1[N+](=O)[O-] ZINC001164742117 720811177 /nfs/dbraw/zinc/81/11/77/720811177.db2.gz CEVSNXNPRBKMRT-YQVWRLOYSA-N 1 1 397.483 2.269 20 5 GEBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])[C@@H]2C ZINC001164856126 720967412 /nfs/dbraw/zinc/96/74/12/720967412.db2.gz AOPDFMOMMRXWAT-GFCCVEGCSA-N 1 1 394.863 2.500 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc5ccc([N+](=O)[O-])cc54)C[C@H]3C2)cn1 ZINC001164766394 721115657 /nfs/dbraw/zinc/11/56/57/721115657.db2.gz KYWGFNSBEMYPIR-HZPDHXFCSA-N 1 1 393.451 2.230 20 5 GEBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164894117 721383393 /nfs/dbraw/zinc/38/33/93/721383393.db2.gz XTCAJQJVQUHZDS-UYAOXDASSA-N 1 1 389.500 2.064 20 5 GEBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])[C@H]2CCCO[C@H]12 ZINC001164810058 721538460 /nfs/dbraw/zinc/53/84/60/721538460.db2.gz WRXLDAQRRMBWNW-JQHSSLGASA-N 1 1 387.415 2.392 20 5 GEBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])[C@H]2CCCO[C@H]12 ZINC001164810058 721538463 /nfs/dbraw/zinc/53/84/63/721538463.db2.gz WRXLDAQRRMBWNW-JQHSSLGASA-N 1 1 387.415 2.392 20 5 GEBDMO COc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ncc1[N+](=O)[O-] ZINC001164801554 721547381 /nfs/dbraw/zinc/54/73/81/721547381.db2.gz FPYMCEUMBACESQ-KNBMTAEXSA-N 1 1 399.451 2.262 20 5 GEBDMO COc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ncc1[N+](=O)[O-] ZINC001164801554 721547385 /nfs/dbraw/zinc/54/73/85/721547385.db2.gz FPYMCEUMBACESQ-KNBMTAEXSA-N 1 1 399.451 2.262 20 5 GEBDMO O=[N+]([O-])c1cc(C(F)(F)N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)cnc1Cl ZINC001164964693 722067783 /nfs/dbraw/zinc/06/77/83/722067783.db2.gz AXCAPQUFSGLRMB-BETUJISGSA-N 1 1 388.802 2.488 20 5 GEBDMO O=[N+]([O-])c1cc(C(F)(F)N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)cnc1Cl ZINC001164964693 722067784 /nfs/dbraw/zinc/06/77/84/722067784.db2.gz AXCAPQUFSGLRMB-BETUJISGSA-N 1 1 388.802 2.488 20 5 GEBDMO O=[N+]([O-])c1cc(F)cnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980660 722106198 /nfs/dbraw/zinc/10/61/98/722106198.db2.gz JWGAQTAMWYHODY-CRAIPNDOSA-N 1 1 387.415 2.251 20 5 GEBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(F)c1 ZINC001164982540 722110047 /nfs/dbraw/zinc/11/00/47/722110047.db2.gz WZROOKZCQFBGHA-CRAIPNDOSA-N 1 1 387.415 2.251 20 5 GEBDMO C[C@@H]1C[NH+](C[C@H](O)COc2ccc([N+](=O)[O-])cc2Br)C[C@@H](C)O1 ZINC000155051926 531653470 /nfs/dbraw/zinc/65/34/70/531653470.db2.gz YSYNICARIATLDP-WZRBSPASSA-N 1 1 389.246 2.206 20 5 GEBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000052782020 531751493 /nfs/dbraw/zinc/75/14/93/531751493.db2.gz XXFHYROYIIMMDV-GFCCVEGCSA-N 1 1 385.467 2.246 20 5 GEBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000190716911 532357609 /nfs/dbraw/zinc/35/76/09/532357609.db2.gz GONUBJAAVFYKDZ-LBPRGKRZSA-N 1 1 399.289 2.113 20 5 GEBDMO CSC[C@@H](O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000187740647 532345463 /nfs/dbraw/zinc/34/54/63/532345463.db2.gz MTFQTQCFQSCEBI-LBPRGKRZSA-N 1 1 379.404 2.460 20 5 GEBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1sc(Br)cc1[N+](=O)[O-] ZINC000373113881 532433366 /nfs/dbraw/zinc/43/33/66/532433366.db2.gz WKAHFHHGYPANPF-BDAKNGLRSA-N 1 1 390.259 2.012 20 5 GEBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431037170 532505023 /nfs/dbraw/zinc/50/50/23/532505023.db2.gz MACSLOGYVRZUMI-NSHDSACASA-N 1 1 386.246 2.198 20 5 GEBDMO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000432998585 532551902 /nfs/dbraw/zinc/55/19/02/532551902.db2.gz QTCZXQMYHAGNQM-CMPLNLGQSA-N 1 1 397.229 2.238 20 5 GEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000285685142 532697497 /nfs/dbraw/zinc/69/74/97/532697497.db2.gz HWKVLIYMNFJJLD-CABCVRRESA-N 1 1 398.257 2.211 20 5 GEBDMO C[C@H](Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000610909415 532720087 /nfs/dbraw/zinc/72/00/87/532720087.db2.gz INFBOXRMAHDBRS-ZUZCIYMTSA-N 1 1 395.257 2.458 20 5 GEBDMO C[C@H](Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000610909415 532720091 /nfs/dbraw/zinc/72/00/91/532720091.db2.gz INFBOXRMAHDBRS-ZUZCIYMTSA-N 1 1 395.257 2.458 20 5 GEBDMO C[N@H+]1CCC[C@@H](NC(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000611223004 532721124 /nfs/dbraw/zinc/72/11/24/532721124.db2.gz AVSKZMWDPWQISQ-LLVKDONJSA-N 1 1 389.193 2.023 20 5 GEBDMO CC[NH+]1CCN(C[C@@H](C)CNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267205953 532737408 /nfs/dbraw/zinc/73/74/08/532737408.db2.gz GRSISWNYIKNXDW-LBPRGKRZSA-N 1 1 386.294 2.438 20 5 GEBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000269909540 532792928 /nfs/dbraw/zinc/79/29/28/532792928.db2.gz CBTZNELGYOENJX-GFCCVEGCSA-N 1 1 386.246 2.116 20 5 GEBDMO CN(C)S(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000289691604 532863316 /nfs/dbraw/zinc/86/33/16/532863316.db2.gz SNEYWRDALQPISC-UHFFFAOYSA-N 1 1 387.845 2.489 20 5 GEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000290809631 532889732 /nfs/dbraw/zinc/88/97/32/532889732.db2.gz SDCPMSZUBPETAZ-GWCFXTLKSA-N 1 1 391.852 2.492 20 5 GEBDMO CCOCCC[N@H+]1CC[C@@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000736616298 599063670 /nfs/dbraw/zinc/06/36/70/599063670.db2.gz QVOOWXNZJVKMCI-DZGCQCFKSA-N 1 1 389.460 2.324 20 5 GEBDMO COc1ccccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000737151107 598551469 /nfs/dbraw/zinc/55/14/69/598551469.db2.gz XSIXBFZTMLWQBQ-UHFFFAOYSA-N 1 1 395.423 2.106 20 5 GEBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000738369304 598680087 /nfs/dbraw/zinc/68/00/87/598680087.db2.gz KQGNBOKEMQSKEQ-UHFFFAOYSA-N 1 1 383.387 2.236 20 5 GEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000826499472 607554047 /nfs/dbraw/zinc/55/40/47/607554047.db2.gz JYAIHMHWZRPPEY-SFHVURJKSA-N 1 1 380.408 2.473 20 5 GEBDMO Cc1cc(N2CCC(Nc3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000822206973 606102469 /nfs/dbraw/zinc/10/24/69/606102469.db2.gz GMVFEEUSLLJKSU-UHFFFAOYSA-N 1 1 395.427 2.263 20 5 GEBDMO CC1(C)CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000820607314 606707968 /nfs/dbraw/zinc/70/79/68/606707968.db2.gz QBNDHQFYGCYBGH-UHFFFAOYSA-N 1 1 394.439 2.271 20 5 GEBDMO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000823620427 606709412 /nfs/dbraw/zinc/70/94/12/606709412.db2.gz KYWXGAZLZOJLBR-OAHLLOKOSA-N 1 1 394.439 2.146 20 5 GEBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820705547 606710571 /nfs/dbraw/zinc/71/05/71/606710571.db2.gz UZXGBYGEPSHVIU-UONOGXRCSA-N 1 1 386.460 2.261 20 5 GEBDMO C[C@H](CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000820240009 606715011 /nfs/dbraw/zinc/71/50/11/606715011.db2.gz BKLWDAMGUISKRD-CYBMUJFWSA-N 1 1 382.428 2.492 20 5 GEBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000823639751 606772474 /nfs/dbraw/zinc/77/24/74/606772474.db2.gz HAHOSWBGHPMQPH-UHFFFAOYSA-N 1 1 384.787 2.366 20 5 GEBDMO C[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000820281589 607167465 /nfs/dbraw/zinc/16/74/65/607167465.db2.gz WQCCTUYYJJLDBJ-GFCCVEGCSA-N 1 1 380.412 2.029 20 5 GEBDMO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824529289 608391387 /nfs/dbraw/zinc/39/13/87/608391387.db2.gz FYMXICMEYBCXHC-VXGBXAGGSA-N 1 1 381.396 2.453 20 5 GEBDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000824530672 608391643 /nfs/dbraw/zinc/39/16/43/608391643.db2.gz MSSFGPJDLZALPH-NEPJUHHUSA-N 1 1 381.396 2.453 20 5 GEBDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000824770449 608409602 /nfs/dbraw/zinc/40/96/02/608409602.db2.gz KQHZXDZNWUPSAW-LBPRGKRZSA-N 1 1 398.402 2.192 20 5 GEBDMO COCC[N@@H+](C)CCCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501094087 650387992 /nfs/dbraw/zinc/38/79/92/650387992.db2.gz LFCWVLWFCPRTEM-UHFFFAOYSA-N 1 1 389.250 2.447 20 5 GEBDMO C[C@H]1Cc2ccc(Br)cc2C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000501437511 650392211 /nfs/dbraw/zinc/39/22/11/650392211.db2.gz WHEVDGOQXCINGZ-MEDUHNTESA-N 1 1 395.257 2.362 20 5 GEBDMO C[C@H]1Cc2ccc(Br)cc2C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000501437511 650392213 /nfs/dbraw/zinc/39/22/13/650392213.db2.gz WHEVDGOQXCINGZ-MEDUHNTESA-N 1 1 395.257 2.362 20 5 GEBDMO C[C@@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000504438257 650431376 /nfs/dbraw/zinc/43/13/76/650431376.db2.gz ISEMTTUCBJIRFQ-NXEZZACHSA-N 1 1 389.861 2.131 20 5 GEBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000462500532 650481956 /nfs/dbraw/zinc/48/19/56/650481956.db2.gz LAKXNENNNKMFPV-MWLCHTKSSA-N 1 1 392.275 2.118 20 5 GEBDMO C[NH+](C)Cc1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1Br ZINC000468185133 650504898 /nfs/dbraw/zinc/50/48/98/650504898.db2.gz ALNPHMOHXNCXLM-UHFFFAOYSA-N 1 1 382.218 2.254 20 5 GEBDMO CC(C)[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000523624677 650636718 /nfs/dbraw/zinc/63/67/18/650636718.db2.gz WLKAZTZZUOPERT-UHFFFAOYSA-N 1 1 391.209 2.269 20 5 GEBDMO C[N@@H+](CCNC(=O)c1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000535022097 650783138 /nfs/dbraw/zinc/78/31/38/650783138.db2.gz GNWUUIZRBMWKKM-UHFFFAOYSA-N 1 1 389.193 2.023 20 5 GEBDMO C[C@@H]1[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000536694411 650805312 /nfs/dbraw/zinc/80/53/12/650805312.db2.gz QDEVOGSYRHVFHB-MNOVXSKESA-N 1 1 385.262 2.320 20 5 GEBDMO COc1cccc([C@@H](CNS(=O)(=O)c2csc([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000119346031 643547818 /nfs/dbraw/zinc/54/78/18/643547818.db2.gz WATQIJQDSFRDCU-CQSZACIVSA-N 1 1 385.467 2.246 20 5 GEBDMO CC(C)c1cnc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000183788938 645003592 /nfs/dbraw/zinc/00/35/92/645003592.db2.gz YHEDQZZAGIGNMT-UHFFFAOYSA-N 1 1 384.483 2.243 20 5 GEBDMO CN1CC[N@H+](C)C[C@@H]1c1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000546498765 651001050 /nfs/dbraw/zinc/00/10/50/651001050.db2.gz VBNRUDLHICNGNZ-GFCCVEGCSA-N 1 1 382.218 2.326 20 5 GEBDMO CN1CC[N@@H+](C)C[C@@H]1c1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000546498765 651001053 /nfs/dbraw/zinc/00/10/53/651001053.db2.gz VBNRUDLHICNGNZ-GFCCVEGCSA-N 1 1 382.218 2.326 20 5 GEBDMO CC[N@H+](Cc1cccc(Br)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266510135 645846682 /nfs/dbraw/zinc/84/66/82/645846682.db2.gz DCSNEMKFWKCMBP-HNNXBMFYSA-N 1 1 383.246 2.437 20 5 GEBDMO CS[C@@H]1CN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270330418 646103772 /nfs/dbraw/zinc/10/37/72/646103772.db2.gz BPZWHEYDVFZWBH-QWHCGFSZSA-N 1 1 395.453 2.073 20 5 GEBDMO Cn1cc[nH+]c1N1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000278556925 646525546 /nfs/dbraw/zinc/52/55/46/646525546.db2.gz HZFKIHOMBXAEOX-UHFFFAOYSA-N 1 1 380.246 2.413 20 5 GEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c(Cl)c1 ZINC000365544127 647675445 /nfs/dbraw/zinc/67/54/45/647675445.db2.gz FGIVBBNVBQFHNP-NJZAAPMLSA-N 1 1 385.873 2.353 20 5 GEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@H]21 ZINC000368590833 647760515 /nfs/dbraw/zinc/76/05/15/647760515.db2.gz LBYFTJAUXCUWTE-XHDPSFHLSA-N 1 1 382.258 2.452 20 5 GEBDMO COCC(COC)[NH+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000413472948 648065704 /nfs/dbraw/zinc/06/57/04/648065704.db2.gz LBTMIDVJTCMPSQ-UHFFFAOYSA-N 1 1 388.262 2.141 20 5 GEBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[NH+]2CCC1CC2 ZINC000416472528 648137694 /nfs/dbraw/zinc/13/76/94/648137694.db2.gz TVDAYRLOJUMFMF-UHFFFAOYSA-N 1 1 379.360 2.082 20 5 GEBDMO C[N@H+]1CC[C@]2(CCN(c3c(I)cncc3[N+](=O)[O-])C2)C1 ZINC000418954266 648325278 /nfs/dbraw/zinc/32/52/78/648325278.db2.gz NHFOAZWBJWJIRX-ZDUSSCGKSA-N 1 1 388.209 2.126 20 5 GEBDMO C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)CC[N@H+]1C ZINC000719385449 651476027 /nfs/dbraw/zinc/47/60/27/651476027.db2.gz HCUURWVLRLGADB-PELKAZGASA-N 1 1 389.193 2.022 20 5 GEBDMO C[NH+]1CCN([C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)c2cccs2)CC1 ZINC000603825418 651499832 /nfs/dbraw/zinc/49/98/32/651499832.db2.gz MLTKKZXOPCPAEN-LBPRGKRZSA-N 1 1 380.495 2.436 20 5 GEBDMO CCCC[N@@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742296703 651975628 /nfs/dbraw/zinc/97/56/28/651975628.db2.gz ZSJNVPPKGCZKST-UHFFFAOYSA-N 1 1 394.291 2.368 20 5 GEBDMO CCC[N@@H+](CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000747284866 652156334 /nfs/dbraw/zinc/15/63/34/652156334.db2.gz GXJPAKHHROFJLM-UHFFFAOYSA-N 1 1 394.291 2.368 20 5 GEBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2cccc(O)c2Cl)c1 ZINC000590184042 652576426 /nfs/dbraw/zinc/57/64/26/652576426.db2.gz ZYHIHXGIDVFSMG-UHFFFAOYSA-N 1 1 385.829 2.022 20 5 GEBDMO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000599360612 652864069 /nfs/dbraw/zinc/86/40/69/652864069.db2.gz NHIWBSJARXUAKY-TZMCWYRMSA-N 1 1 398.257 2.029 20 5 GEBDMO O=C(C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)NCC(F)(F)F ZINC000602532360 653189016 /nfs/dbraw/zinc/18/90/16/653189016.db2.gz JYMPVUFCNPNABV-UHFFFAOYSA-N 1 1 376.154 2.187 20 5 GEBDMO O=[N+]([O-])c1sc(C[NH2+]C[C@H]2CCCCS2(=O)=O)cc1Br ZINC000602604930 653193627 /nfs/dbraw/zinc/19/36/27/653193627.db2.gz RPAFABYNAREIKO-SECBINFHSA-N 1 1 383.289 2.476 20 5 GEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000602886646 653212502 /nfs/dbraw/zinc/21/25/02/653212502.db2.gz LBLSPXMJBVQREN-ZDUSSCGKSA-N 1 1 396.245 2.411 20 5 GEBDMO C[N@H+](Cc1ccc(Br)cc1F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000602927138 653215726 /nfs/dbraw/zinc/21/57/26/653215726.db2.gz WKISRBKMKBTVBX-CYBMUJFWSA-N 1 1 387.209 2.186 20 5 GEBDMO C[C@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000809968070 653315275 /nfs/dbraw/zinc/31/52/75/653315275.db2.gz MNMMWWPCPGURMZ-JTQLQIEISA-N 1 1 375.210 2.335 20 5 GEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815014113 653643697 /nfs/dbraw/zinc/64/36/97/653643697.db2.gz WQRWAYFFUMGFKD-SNVBAGLBSA-N 1 1 379.841 2.350 20 5 GEBDMO COCC(COC)[NH+]1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000840356523 653683710 /nfs/dbraw/zinc/68/37/10/653683710.db2.gz ASIPQVMELAANMK-UHFFFAOYSA-N 1 1 388.262 2.141 20 5 GEBDMO C[N@@H+](CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000881863746 653744346 /nfs/dbraw/zinc/74/43/46/653744346.db2.gz DJEWSWMFEGLKBN-LBPRGKRZSA-N 1 1 388.287 2.411 20 5 GEBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000842826350 653769750 /nfs/dbraw/zinc/76/97/50/653769750.db2.gz NONIDNZCEBUKJP-JTQLQIEISA-N 1 1 392.275 2.120 20 5 GEBDMO CC[N@H+]1CCCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000822569609 653831836 /nfs/dbraw/zinc/83/18/36/653831836.db2.gz UVZRRYNQLNFLRV-SNVBAGLBSA-N 1 1 385.262 2.496 20 5 GEBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884957330 653898358 /nfs/dbraw/zinc/89/83/58/653898358.db2.gz OHDPLSHSTPVLEP-NXEZZACHSA-N 1 1 377.825 2.292 20 5 GEBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000897827972 653939167 /nfs/dbraw/zinc/93/91/67/653939167.db2.gz NCTILWFLTUMRCG-UHFFFAOYSA-N 1 1 381.376 2.129 20 5 GEBDMO CC[N@H+]1CC[C@@H](CNC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000795415895 653951429 /nfs/dbraw/zinc/95/14/29/653951429.db2.gz RFSQYBBOTIJRKM-LBPRGKRZSA-N 1 1 399.289 2.252 20 5 GEBDMO COC[C@@H]1CC[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795432080 653952425 /nfs/dbraw/zinc/95/24/25/653952425.db2.gz MJSOEVVEYOYTNA-SNVBAGLBSA-N 1 1 384.230 2.239 20 5 GEBDMO COC[C@@H]1CC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795432080 653952431 /nfs/dbraw/zinc/95/24/31/653952431.db2.gz MJSOEVVEYOYTNA-SNVBAGLBSA-N 1 1 384.230 2.239 20 5 GEBDMO CN(CC(=O)N1CC[NH+](C2CC2)CC1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000795768526 653965703 /nfs/dbraw/zinc/96/57/03/653965703.db2.gz MCKXMGVKKUJGGB-UHFFFAOYSA-N 1 1 397.273 2.100 20 5 GEBDMO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000795796332 653966750 /nfs/dbraw/zinc/96/67/50/653966750.db2.gz OHRDPRBDMYLUES-NWDGAFQWSA-N 1 1 377.825 2.292 20 5 GEBDMO O=[N+]([O-])c1cccc(Br)c1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000827699298 654004588 /nfs/dbraw/zinc/00/45/88/654004588.db2.gz GRZYEPBSCOOZOH-ZDUSSCGKSA-N 1 1 384.274 2.388 20 5 GEBDMO C[N@H+]1CCCC12CCN(C(=O)c1cc([N+](=O)[O-])ncc1Br)CC2 ZINC000827748103 654006791 /nfs/dbraw/zinc/00/67/91/654006791.db2.gz WMJITJQCDXWXCO-UHFFFAOYSA-N 1 1 383.246 2.453 20 5 GEBDMO O=C1CC[C@@H]([NH+]2CCN(c3ccc([N+](=O)[O-])cc3Br)CC2)CCN1 ZINC000829352604 654065422 /nfs/dbraw/zinc/06/54/22/654065422.db2.gz UZOMINXKIDUNKZ-GFCCVEGCSA-N 1 1 397.273 2.148 20 5 GEBDMO O=[N+]([O-])c1cn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000871983263 654300761 /nfs/dbraw/zinc/30/07/61/654300761.db2.gz ZAWDORKZADXMNS-HNNXBMFYSA-N 1 1 381.230 2.191 20 5 GEBDMO O=[N+]([O-])c1cn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000871983263 654300765 /nfs/dbraw/zinc/30/07/65/654300765.db2.gz ZAWDORKZADXMNS-HNNXBMFYSA-N 1 1 381.230 2.191 20 5 GEBDMO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000872665518 654387805 /nfs/dbraw/zinc/38/78/05/654387805.db2.gz ZXHGHWUCFCOLIC-NWDGAFQWSA-N 1 1 377.825 2.245 20 5 GEBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000872665518 654387810 /nfs/dbraw/zinc/38/78/10/654387810.db2.gz ZXHGHWUCFCOLIC-NWDGAFQWSA-N 1 1 377.825 2.245 20 5 GEBDMO O=[N+]([O-])c1ccc(Br)c(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000931066672 654727992 /nfs/dbraw/zinc/72/79/92/654727992.db2.gz KJFIEBWPDMPLON-HNNXBMFYSA-N 1 1 384.274 2.388 20 5 GEBDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC001164647910 719309103 /nfs/dbraw/zinc/30/91/03/719309103.db2.gz OLOSKMYEIOWRMZ-UHFFFAOYSA-N 1 1 389.416 2.300 20 5 GEBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])C2 ZINC001164811745 720138647 /nfs/dbraw/zinc/13/86/47/720138647.db2.gz NDONITVJKOCPBM-KDOFPFPSSA-N 1 1 396.875 2.066 20 5 GEBDMO COC(=O)c1ccnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164726556 720395467 /nfs/dbraw/zinc/39/54/67/720395467.db2.gz PNAWBUYDJHNMEA-CVEARBPZSA-N 1 1 383.408 2.025 20 5 GEBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c2ccccc21 ZINC001164744344 720683062 /nfs/dbraw/zinc/68/30/62/720683062.db2.gz ZKUVMXKMKJJKFK-GJZGRUSLSA-N 1 1 392.419 2.275 20 5 GEBDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)cc(C)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164852559 720846968 /nfs/dbraw/zinc/84/69/68/720846968.db2.gz KVBWMTCJTRHAJX-KGLIPLIRSA-N 1 1 384.864 2.125 20 5 GEBDMO COCC[N@H+]1CCO[C@H]2CN(c3nccc4ccc([N+](=O)[O-])cc43)CC[C@H]2C1 ZINC001164854306 720870618 /nfs/dbraw/zinc/87/06/18/720870618.db2.gz JGIYBQLSEKNEFW-LPHOPBHVSA-N 1 1 386.452 2.317 20 5 GEBDMO Cc1nc(Cl)nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164762970 721075162 /nfs/dbraw/zinc/07/51/62/721075162.db2.gz FPWLKYRFSUWYRB-KBPBESRZSA-N 1 1 391.863 2.038 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc5cc([N+](=O)[O-])ccc54)C[C@@H]3C2)cn1 ZINC001164773738 721118080 /nfs/dbraw/zinc/11/80/80/721118080.db2.gz YVLOBFFTCLBYMS-HOTGVXAUSA-N 1 1 393.451 2.230 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc5cc([N+](=O)[O-])ccc54)C[C@H]3C2)cn1 ZINC001164773747 721118696 /nfs/dbraw/zinc/11/86/96/721118696.db2.gz YVLOBFFTCLBYMS-JKSUJKDBSA-N 1 1 393.451 2.230 20 5 GEBDMO Cc1cnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c([N+](=O)[O-])c1 ZINC001164886743 721383372 /nfs/dbraw/zinc/38/33/72/721383372.db2.gz GAYSTFARLHCTIX-FXAWDEMLSA-N 1 1 389.500 2.064 20 5 GEBDMO Cc1ccnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1[N+](=O)[O-] ZINC001164892252 721393431 /nfs/dbraw/zinc/39/34/31/721393431.db2.gz SKEVJBARBNKJDW-FXAWDEMLSA-N 1 1 389.500 2.064 20 5 GEBDMO COc1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164904636 721530373 /nfs/dbraw/zinc/53/03/73/721530373.db2.gz FUUAQAMSAZEPIS-RHSMWYFYSA-N 1 1 388.399 2.479 20 5 GEBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164906380 721543443 /nfs/dbraw/zinc/54/34/43/721543443.db2.gz KHIUHQDZXBOJAX-WBVHZDCISA-N 1 1 388.399 2.018 20 5 GEBDMO Cc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164977277 722101373 /nfs/dbraw/zinc/10/13/73/722101373.db2.gz FQBUPWSUFYULQE-IEBWSBKVSA-N 1 1 383.452 2.421 20 5 GEBDMO Cc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164984105 722101713 /nfs/dbraw/zinc/10/17/13/722101713.db2.gz RRQYNQMAVRZHJQ-PKOBYXMFSA-N 1 1 383.452 2.421 20 5 GEBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000042985796 531676104 /nfs/dbraw/zinc/67/61/04/531676104.db2.gz IEMQFKMEDPYUKJ-GFCCVEGCSA-N 1 1 385.467 2.246 20 5 GEBDMO O=[N+]([O-])c1cnn(CC[N@@H+](CCO)Cc2cc(Br)ccc2F)c1 ZINC000157936129 531759421 /nfs/dbraw/zinc/75/94/21/531759421.db2.gz HXODWPFNESTZKG-UHFFFAOYSA-N 1 1 387.209 2.187 20 5 GEBDMO O=[N+]([O-])c1cnn(CC[N@H+](CCO)Cc2cc(Br)ccc2F)c1 ZINC000157936129 531759430 /nfs/dbraw/zinc/75/94/30/531759430.db2.gz HXODWPFNESTZKG-UHFFFAOYSA-N 1 1 387.209 2.187 20 5 GEBDMO CN(C[C@@H]1CC[N@@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163311625 531857878 /nfs/dbraw/zinc/85/78/78/531857878.db2.gz VYSRJPLBEMHMMV-SNVBAGLBSA-N 1 1 381.376 2.186 20 5 GEBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1ccc(F)cc1Cl ZINC000136162933 532282754 /nfs/dbraw/zinc/28/27/54/532282754.db2.gz PUSNHFDVIBZWHV-UHFFFAOYSA-N 1 1 387.820 2.455 20 5 GEBDMO CC[C@H](CO)[NH+]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000183684888 532327788 /nfs/dbraw/zinc/32/77/88/532327788.db2.gz PRDKXGLCHVXQTF-CYBMUJFWSA-N 1 1 387.889 2.255 20 5 GEBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000184293132 532331667 /nfs/dbraw/zinc/33/16/67/532331667.db2.gz WYIVOFPBZVQMDD-GFCCVEGCSA-N 1 1 399.289 2.113 20 5 GEBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000190716928 532357640 /nfs/dbraw/zinc/35/76/40/532357640.db2.gz GONUBJAAVFYKDZ-GFCCVEGCSA-N 1 1 399.289 2.113 20 5 GEBDMO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000589926428 532365329 /nfs/dbraw/zinc/36/53/29/532365329.db2.gz UTKUSIBKVPRDJQ-PRHODGIISA-N 1 1 380.253 2.226 20 5 GEBDMO C[N@H+]1C[C@H]2CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000589926428 532365336 /nfs/dbraw/zinc/36/53/36/532365336.db2.gz UTKUSIBKVPRDJQ-PRHODGIISA-N 1 1 380.253 2.226 20 5 GEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c(Br)c1 ZINC000373957324 532481808 /nfs/dbraw/zinc/48/18/08/532481808.db2.gz UKFODFLSXPIZMH-CYBMUJFWSA-N 1 1 399.289 2.176 20 5 GEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c(Br)c1 ZINC000373957324 532481812 /nfs/dbraw/zinc/48/18/12/532481812.db2.gz UKFODFLSXPIZMH-CYBMUJFWSA-N 1 1 399.289 2.176 20 5 GEBDMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)C[C@@H]2C1 ZINC000296482129 532524628 /nfs/dbraw/zinc/52/46/28/532524628.db2.gz YKDDNXXIYFMRJL-DTORHVGOSA-N 1 1 380.253 2.084 20 5 GEBDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccsc1 ZINC000564567189 532529802 /nfs/dbraw/zinc/52/98/02/532529802.db2.gz JKNOWTKRZXJBAE-ZDUSSCGKSA-N 1 1 384.483 2.413 20 5 GEBDMO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCC[N@H+]2CCC[C@H]2C1 ZINC000376598780 532620644 /nfs/dbraw/zinc/62/06/44/532620644.db2.gz FRRQMNOVLVGNAN-NSHDSACASA-N 1 1 375.397 2.266 20 5 GEBDMO Cc1c(Br)c(N2CCC([N@H+]3CC[C@H](O)C3)CC2)ncc1[N+](=O)[O-] ZINC000596538437 532596994 /nfs/dbraw/zinc/59/69/94/532596994.db2.gz KRRWWZHJDCNMAM-LBPRGKRZSA-N 1 1 385.262 2.096 20 5 GEBDMO CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])[N@@H+](C)C1 ZINC000284605148 532604544 /nfs/dbraw/zinc/60/45/44/532604544.db2.gz ATEYNKICPUIAEY-RYUDHWBXSA-N 1 1 386.246 2.148 20 5 GEBDMO CS[C@@H]1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000436439307 532633267 /nfs/dbraw/zinc/63/32/67/532633267.db2.gz MIGJPUHIKVNZFI-UONOGXRCSA-N 1 1 385.511 2.014 20 5 GEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000285685146 532698117 /nfs/dbraw/zinc/69/81/17/532698117.db2.gz HWKVLIYMNFJJLD-HUUCEWRRSA-N 1 1 398.257 2.211 20 5 GEBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000378290794 532689426 /nfs/dbraw/zinc/68/94/26/532689426.db2.gz YRUPCXFQMQXAQZ-RYUDHWBXSA-N 1 1 399.245 2.342 20 5 GEBDMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@H](O)CN1CCOCC1 ZINC000289723149 532863958 /nfs/dbraw/zinc/86/39/58/532863958.db2.gz HBQIDIXKHBFFKS-ZDUSSCGKSA-N 1 1 378.256 2.027 20 5 GEBDMO C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@H](O)CN1CCOCC1 ZINC000289723149 532863960 /nfs/dbraw/zinc/86/39/60/532863960.db2.gz HBQIDIXKHBFFKS-ZDUSSCGKSA-N 1 1 378.256 2.027 20 5 GEBDMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416367985 532872224 /nfs/dbraw/zinc/87/22/24/532872224.db2.gz GBVLURPCJPGEKD-LLVKDONJSA-N 1 1 381.376 2.376 20 5 GEBDMO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000290700268 532887327 /nfs/dbraw/zinc/88/73/27/532887327.db2.gz IPIPRGGYTFMYSG-ZANVPECISA-N 1 1 377.825 2.102 20 5 GEBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000290700268 532887330 /nfs/dbraw/zinc/88/73/30/532887330.db2.gz IPIPRGGYTFMYSG-ZANVPECISA-N 1 1 377.825 2.102 20 5 GEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000290809635 532890006 /nfs/dbraw/zinc/89/00/06/532890006.db2.gz SDCPMSZUBPETAZ-GXFFZTMASA-N 1 1 391.852 2.492 20 5 GEBDMO CCc1[nH+]ccn1C[C@H]1CCCN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000363676274 532900137 /nfs/dbraw/zinc/90/01/37/532900137.db2.gz VURUVANPJVMINK-LLVKDONJSA-N 1 1 384.483 2.488 20 5 GEBDMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000369553379 532940021 /nfs/dbraw/zinc/94/00/21/532940021.db2.gz MCYVVINMGQYKNE-HUUCEWRRSA-N 1 1 398.257 2.029 20 5 GEBDMO CCOCCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000736617624 599063703 /nfs/dbraw/zinc/06/37/03/599063703.db2.gz ZIACQLIVPBHBKW-XJKSGUPXSA-N 1 1 389.460 2.324 20 5 GEBDMO Cc1cnc(N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c([N+](=O)[O-])c1 ZINC000822394495 599105420 /nfs/dbraw/zinc/10/54/20/599105420.db2.gz BGMJPLUOUHTKGK-UHFFFAOYSA-N 1 1 394.439 2.191 20 5 GEBDMO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737411610 598368501 /nfs/dbraw/zinc/36/85/01/598368501.db2.gz MYDHVYJPKJIKHO-UHFFFAOYSA-N 1 1 379.424 2.406 20 5 GEBDMO O=[N+]([O-])c1cccc(F)c1CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738368080 598758166 /nfs/dbraw/zinc/75/81/66/598758166.db2.gz CYQOISKQOPNYPU-UHFFFAOYSA-N 1 1 397.414 2.232 20 5 GEBDMO C[C@@H]1CCC[N@@H+](CCNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820711340 606453594 /nfs/dbraw/zinc/45/35/94/606453594.db2.gz WRWZZUMAFRHISX-GFCCVEGCSA-N 1 1 382.428 2.467 20 5 GEBDMO C[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000820281592 607167068 /nfs/dbraw/zinc/16/70/68/607167068.db2.gz WQCCTUYYJJLDBJ-LBPRGKRZSA-N 1 1 380.412 2.029 20 5 GEBDMO O=C(CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407208 607942996 /nfs/dbraw/zinc/94/29/96/607942996.db2.gz FLIGPAQNBXCJOC-UHFFFAOYSA-N 1 1 393.407 2.162 20 5 GEBDMO CC[N@H+]1C[C@H](C)N(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000825450555 608232021 /nfs/dbraw/zinc/23/20/21/608232021.db2.gz AUXCDNVBQOAQRT-NEPJUHHUSA-N 1 1 382.428 2.242 20 5 GEBDMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447013724 649994324 /nfs/dbraw/zinc/99/43/24/649994324.db2.gz QKTWSLODKQLQLG-JTQLQIEISA-N 1 1 394.291 2.366 20 5 GEBDMO COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000502375253 650405774 /nfs/dbraw/zinc/40/57/74/650405774.db2.gz CKNOLLZZZGINFF-CQSZACIVSA-N 1 1 385.467 2.246 20 5 GEBDMO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000462500529 650482096 /nfs/dbraw/zinc/48/20/96/650482096.db2.gz LAKXNENNNKMFPV-GXSJLCMTSA-N 1 1 392.275 2.118 20 5 GEBDMO Cc1sc(S(=O)(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1[N+](=O)[O-] ZINC000467053095 650501871 /nfs/dbraw/zinc/50/18/71/650501871.db2.gz FKHSIRWWZWQMRJ-UHFFFAOYSA-N 1 1 384.483 2.342 20 5 GEBDMO CC(C)[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000054131687 642747727 /nfs/dbraw/zinc/74/77/27/642747727.db2.gz JBNZTLDHPQLYGV-UHFFFAOYSA-N 1 1 391.209 2.269 20 5 GEBDMO C[C@H](CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000066578007 642923076 /nfs/dbraw/zinc/92/30/76/642923076.db2.gz LXGSQSVCGCMHAQ-SECBINFHSA-N 1 1 392.275 2.118 20 5 GEBDMO CC[N@@H+](CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000120201952 643595118 /nfs/dbraw/zinc/59/51/18/643595118.db2.gz ALAZIIWNWOZLFH-UHFFFAOYSA-N 1 1 392.275 2.120 20 5 GEBDMO C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000177307507 644414880 /nfs/dbraw/zinc/41/48/80/644414880.db2.gz ACGFMPBAKMGUAJ-NSHDSACASA-N 1 1 386.246 2.055 20 5 GEBDMO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000268155367 645948631 /nfs/dbraw/zinc/94/86/31/645948631.db2.gz NNXPCEMNAVNDJN-JQWIXIFHSA-N 1 1 377.413 2.368 20 5 GEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000268155367 645948637 /nfs/dbraw/zinc/94/86/37/645948637.db2.gz NNXPCEMNAVNDJN-JQWIXIFHSA-N 1 1 377.413 2.368 20 5 GEBDMO COCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000269959514 646076642 /nfs/dbraw/zinc/07/66/42/646076642.db2.gz IOWKJSOJFXWEMM-NSHDSACASA-N 1 1 387.234 2.200 20 5 GEBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000281087164 646744737 /nfs/dbraw/zinc/74/47/37/646744737.db2.gz COQLEIBSFFDOKS-SNVBAGLBSA-N 1 1 379.841 2.350 20 5 GEBDMO O=C(CC[N@@H+]1CCn2c(Br)cnc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000367143030 647721941 /nfs/dbraw/zinc/72/19/41/647721941.db2.gz DPCPOPNZYKKNTP-UHFFFAOYSA-N 1 1 394.229 2.398 20 5 GEBDMO O=C(CC[N@H+]1CCn2c(Br)cnc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000367143030 647721946 /nfs/dbraw/zinc/72/19/46/647721946.db2.gz DPCPOPNZYKKNTP-UHFFFAOYSA-N 1 1 394.229 2.398 20 5 GEBDMO C[NH+]1CCN(C[C@@H]2CCCN(c3c(Br)cncc3[N+](=O)[O-])C2)CC1 ZINC000367341831 647730777 /nfs/dbraw/zinc/73/07/77/647730777.db2.gz HRGFFKPXUVHSAQ-ZDUSSCGKSA-N 1 1 398.305 2.216 20 5 GEBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1Br ZINC000371287793 647790353 /nfs/dbraw/zinc/79/03/53/647790353.db2.gz SXDUUSIMBFFIDW-QWHCGFSZSA-N 1 1 398.257 2.340 20 5 GEBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1Br ZINC000371287793 647790357 /nfs/dbraw/zinc/79/03/57/647790357.db2.gz SXDUUSIMBFFIDW-QWHCGFSZSA-N 1 1 398.257 2.340 20 5 GEBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C[C@H]21 ZINC000377882834 647871354 /nfs/dbraw/zinc/87/13/54/647871354.db2.gz GZKQHNROJBJVPA-TVQRCGJNSA-N 1 1 377.825 2.102 20 5 GEBDMO CCC[N@H+]1CC[C@H](CNc2c(I)cncc2[N+](=O)[O-])C1 ZINC000418847203 648317014 /nfs/dbraw/zinc/31/70/14/648317014.db2.gz HPUVEEQGVFDXEZ-SNVBAGLBSA-N 1 1 390.225 2.160 20 5 GEBDMO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420744573 648448333 /nfs/dbraw/zinc/44/83/33/648448333.db2.gz XPCSYXKOTCYWKT-NSHDSACASA-N 1 1 381.376 2.328 20 5 GEBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440849484 648816834 /nfs/dbraw/zinc/81/68/34/648816834.db2.gz AZLJWUZBEGBICV-NSHDSACASA-N 1 1 392.275 2.120 20 5 GEBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3cccc(Br)c3)CC2)n1 ZINC000551709332 651130347 /nfs/dbraw/zinc/13/03/47/651130347.db2.gz IGENIAJBHDVGRC-UHFFFAOYSA-N 1 1 380.246 2.376 20 5 GEBDMO CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000609158351 651611692 /nfs/dbraw/zinc/61/16/92/651611692.db2.gz VAXFMNVZQDFAPP-SNVBAGLBSA-N 1 1 394.291 2.366 20 5 GEBDMO CSC1(C[NH+]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC000569586042 651719086 /nfs/dbraw/zinc/71/90/86/651719086.db2.gz LODQYPWCABSXKL-UHFFFAOYSA-N 1 1 385.511 2.187 20 5 GEBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588864054 652557240 /nfs/dbraw/zinc/55/72/40/652557240.db2.gz YMCDTXSHJHDKST-OLZOCXBDSA-N 1 1 385.873 2.008 20 5 GEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2cccc(O)c2Cl)cc1 ZINC000590183999 652576385 /nfs/dbraw/zinc/57/63/85/652576385.db2.gz RHPXKEYHNLUECU-UHFFFAOYSA-N 1 1 385.829 2.022 20 5 GEBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599682489 652883482 /nfs/dbraw/zinc/88/34/82/652883482.db2.gz KKNBAJCAQIWWGS-UHFFFAOYSA-N 1 1 394.229 2.053 20 5 GEBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602698831 653201338 /nfs/dbraw/zinc/20/13/38/653201338.db2.gz ZNHKUGMDBLCJKX-VHSXEESVSA-N 1 1 378.292 2.306 20 5 GEBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602698831 653201343 /nfs/dbraw/zinc/20/13/43/653201343.db2.gz ZNHKUGMDBLCJKX-VHSXEESVSA-N 1 1 378.292 2.306 20 5 GEBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809813287 653297761 /nfs/dbraw/zinc/29/77/61/653297761.db2.gz VPNLVZUHCOLPIZ-SNVBAGLBSA-N 1 1 379.841 2.398 20 5 GEBDMO CC[N@@H+](CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(C)C ZINC000780854884 653633692 /nfs/dbraw/zinc/63/36/92/653633692.db2.gz BBNVGMGKKMHJET-UHFFFAOYSA-N 1 1 394.291 2.366 20 5 GEBDMO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000817149852 653704258 /nfs/dbraw/zinc/70/42/58/653704258.db2.gz INWMMTLPXXZSLT-NSHDSACASA-N 1 1 392.275 2.072 20 5 GEBDMO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000819151563 653744622 /nfs/dbraw/zinc/74/46/22/653744622.db2.gz ZRVVARZIRFUCOF-UHFFFAOYSA-N 1 1 392.861 2.094 20 5 GEBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)C2)C1 ZINC000820342826 653772815 /nfs/dbraw/zinc/77/28/15/653772815.db2.gz OEJFFUXHKROTFL-HNNXBMFYSA-N 1 1 383.246 2.107 20 5 GEBDMO COCCOCC[NH+]1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000845769129 653862006 /nfs/dbraw/zinc/86/20/06/653862006.db2.gz PDCLLASNPBHLQV-UHFFFAOYSA-N 1 1 388.262 2.142 20 5 GEBDMO CN(CC[NH+]1CCCCC1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000846037754 653884162 /nfs/dbraw/zinc/88/41/62/653884162.db2.gz NEEOHNFRPLSWBE-UHFFFAOYSA-N 1 1 379.841 2.494 20 5 GEBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884957331 653898198 /nfs/dbraw/zinc/89/81/98/653898198.db2.gz OHDPLSHSTPVLEP-UWVGGRQHSA-N 1 1 377.825 2.292 20 5 GEBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000795199030 653938447 /nfs/dbraw/zinc/93/84/47/653938447.db2.gz BVUGMCHCZLEMHR-AWEZNQCLSA-N 1 1 381.479 2.457 20 5 GEBDMO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000795796331 653966824 /nfs/dbraw/zinc/96/68/24/653966824.db2.gz OHRDPRBDMYLUES-NEPJUHHUSA-N 1 1 377.825 2.292 20 5 GEBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ncc1Br ZINC000848352537 653971745 /nfs/dbraw/zinc/97/17/45/653971745.db2.gz QOCLOFDDSPCVEF-OLZOCXBDSA-N 1 1 383.246 2.499 20 5 GEBDMO C[C@H](CNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000796073312 653984571 /nfs/dbraw/zinc/98/45/71/653984571.db2.gz VRPHEVJJRDGPBV-LLVKDONJSA-N 1 1 399.289 2.392 20 5 GEBDMO CC[N@H+]1CCCN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000796277966 653994817 /nfs/dbraw/zinc/99/48/17/653994817.db2.gz KDNQXEOQHLYYCC-UHFFFAOYSA-N 1 1 399.289 2.348 20 5 GEBDMO CN(CC(=O)NC[C@H]1CCC[N@@H+](C)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796275801 653994896 /nfs/dbraw/zinc/99/48/96/653994896.db2.gz PWCYBDWILYZNNY-GFCCVEGCSA-N 1 1 399.289 2.252 20 5 GEBDMO CN(CC(=O)N(C)[C@H]1CCC[N@@H+](C)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796638678 654002970 /nfs/dbraw/zinc/00/29/70/654002970.db2.gz FGKNXXMIHGCTNJ-ZDUSSCGKSA-N 1 1 399.289 2.346 20 5 GEBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1cc([N+](=O)[O-])ncc1Br ZINC000830530074 654124314 /nfs/dbraw/zinc/12/43/14/654124314.db2.gz VKFKFAOMDASVQW-NSHDSACASA-N 1 1 383.246 2.499 20 5 GEBDMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889770370 654171303 /nfs/dbraw/zinc/17/13/03/654171303.db2.gz ZVATXQULKOAUAH-CABCVRRESA-N 1 1 398.257 2.029 20 5 GEBDMO CC(C)[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000832765743 654293991 /nfs/dbraw/zinc/29/39/91/654293991.db2.gz ZLBUHBJADKLEJE-JTQLQIEISA-N 1 1 379.841 2.491 20 5 GEBDMO CC[N@H+]1CCN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000804381497 654307923 /nfs/dbraw/zinc/30/79/23/654307923.db2.gz OTQYSMOOCWKXQP-LBPRGKRZSA-N 1 1 399.289 2.346 20 5 GEBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2cccc(Br)c2[N+](=O)[O-])C1 ZINC000856728092 654487118 /nfs/dbraw/zinc/48/71/18/654487118.db2.gz JOHRWDGAHPPYAW-LLVKDONJSA-N 1 1 385.262 2.357 20 5 GEBDMO C[N@H+]1CC[C@@H]1CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000925422377 654544264 /nfs/dbraw/zinc/54/42/64/654544264.db2.gz VAKZBCKVVSCJCE-SNVBAGLBSA-N 1 1 383.246 2.129 20 5 GEBDMO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(c2ncc(Br)cn2)CCC1 ZINC000933320778 654808739 /nfs/dbraw/zinc/80/87/39/654808739.db2.gz SOYYSENIQSQYDS-UHFFFAOYSA-N 1 1 381.234 2.321 20 5 GEBDMO O=[N+]([O-])c1cc(Br)ccc1CN1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934275179 654842680 /nfs/dbraw/zinc/84/26/80/654842680.db2.gz SKHADIFPXYXYIJ-CABCVRRESA-N 1 1 384.274 2.388 20 5 GEBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)ncc1[N+](=O)[O-])C2 ZINC001164807527 720071916 /nfs/dbraw/zinc/07/19/16/720071916.db2.gz FVCRKPXVMVUKFQ-CXAGYDPISA-N 1 1 381.864 2.223 20 5 GEBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C)cc(OC)c1[N+](=O)[O-])C2 ZINC001164809952 720108011 /nfs/dbraw/zinc/10/80/11/720108011.db2.gz IWLPDYMPBIOVFL-OXJNMPFZSA-N 1 1 390.484 2.492 20 5 GEBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])C2 ZINC001164815855 720121865 /nfs/dbraw/zinc/12/18/65/720121865.db2.gz WKZAUXUOFDSLNH-KSSFIOAISA-N 1 1 396.875 2.066 20 5 GEBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721067 720340997 /nfs/dbraw/zinc/34/09/97/720340997.db2.gz ABIZDSNLIDSHOB-IRXDYDNUSA-N 1 1 383.408 2.025 20 5 GEBDMO Cc1cc([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1Cl ZINC001164737252 720667889 /nfs/dbraw/zinc/66/78/89/720667889.db2.gz DUMSXUJEXGDKDC-QWHCGFSZSA-N 1 1 390.831 2.084 20 5 GEBDMO O=[N+]([O-])c1cccc2nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)ccc21 ZINC001164736704 720690251 /nfs/dbraw/zinc/69/02/51/720690251.db2.gz AMZKWIUGPZGYTK-HUUCEWRRSA-N 1 1 392.419 2.275 20 5 GEBDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(C)cc(Cl)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164853709 720848211 /nfs/dbraw/zinc/84/82/11/720848211.db2.gz OQQXVQCAJFABOY-UKRRQHHQSA-N 1 1 384.864 2.125 20 5 GEBDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164861763 720865565 /nfs/dbraw/zinc/86/55/65/720865565.db2.gz YNHCOKFEKVDWAG-VQIMIIECSA-N 1 1 386.452 2.317 20 5 GEBDMO COCC[N@H+]1CCO[C@@H]2CN(c3nccc4ccc([N+](=O)[O-])cc43)CC[C@H]2C1 ZINC001164854309 720870696 /nfs/dbraw/zinc/87/06/96/720870696.db2.gz JGIYBQLSEKNEFW-QFBILLFUSA-N 1 1 386.452 2.317 20 5 GEBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])[C@H]2C ZINC001164857125 720977935 /nfs/dbraw/zinc/97/79/35/720977935.db2.gz CLAHACLWLKEARA-LBPRGKRZSA-N 1 1 394.863 2.500 20 5 GEBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164764275 721090452 /nfs/dbraw/zinc/09/04/52/721090452.db2.gz HCWQTRJGSAVCQD-ZIAGYGMSSA-N 1 1 391.863 2.038 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cnc5cc([N+](=O)[O-])ccc5n4)C[C@H]3C2)cn1 ZINC001164762139 721092028 /nfs/dbraw/zinc/09/20/28/721092028.db2.gz COSVAUNALWTOQA-HZPDHXFCSA-N 1 1 393.451 2.230 20 5 GEBDMO CCOc1nc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164773406 721171751 /nfs/dbraw/zinc/17/17/51/721171751.db2.gz XDIPUFKNCWMKDH-CVEARBPZSA-N 1 1 386.456 2.080 20 5 GEBDMO Cc1cnc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c([N+](=O)[O-])c1 ZINC001164886747 721384086 /nfs/dbraw/zinc/38/40/86/721384086.db2.gz GAYSTFARLHCTIX-YLJYHZDGSA-N 1 1 389.500 2.064 20 5 GEBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])[C@H]2CCCO[C@@H]12 ZINC001164810056 721538383 /nfs/dbraw/zinc/53/83/83/721538383.db2.gz WRXLDAQRRMBWNW-CGTJXYLNSA-N 1 1 387.415 2.392 20 5 GEBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])[C@H]2CCCO[C@@H]12 ZINC001164810056 721538385 /nfs/dbraw/zinc/53/83/85/721538385.db2.gz WRXLDAQRRMBWNW-CGTJXYLNSA-N 1 1 387.415 2.392 20 5 GEBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001164934827 721889877 /nfs/dbraw/zinc/88/98/77/721889877.db2.gz UREHRTYNYLUWRI-HUUCEWRRSA-N 1 1 390.875 2.406 20 5 GEBDMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001164934827 721889880 /nfs/dbraw/zinc/88/98/80/721889880.db2.gz UREHRTYNYLUWRI-HUUCEWRRSA-N 1 1 390.875 2.406 20 5 GEBDMO COc1nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)ncc1[N+](=O)[O-] ZINC001164954850 722011955 /nfs/dbraw/zinc/01/19/55/722011955.db2.gz PFSMNGCTLZSKBP-UHFFFAOYSA-N 1 1 384.440 2.281 20 5 GEBDMO Cc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164977279 722101173 /nfs/dbraw/zinc/10/11/73/722101173.db2.gz FQBUPWSUFYULQE-PKOBYXMFSA-N 1 1 383.452 2.421 20 5 GEBDMO Cc1ccnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164977264 722105958 /nfs/dbraw/zinc/10/59/58/722105958.db2.gz FNFKRDVONFIISE-MSOLQXFVSA-N 1 1 383.452 2.421 20 5 GEBDMO COc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164976646 722111264 /nfs/dbraw/zinc/11/12/64/722111264.db2.gz LZWLUIBWPATPRZ-LPHOPBHVSA-N 1 1 399.451 2.121 20 5 GEBDMO COCC[NH+]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000155191262 531663970 /nfs/dbraw/zinc/66/39/70/531663970.db2.gz NVWODAAGYVGDOP-UHFFFAOYSA-N 1 1 387.234 2.153 20 5 GEBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000042985794 531676266 /nfs/dbraw/zinc/67/62/66/531676266.db2.gz IEMQFKMEDPYUKJ-LBPRGKRZSA-N 1 1 385.467 2.246 20 5 GEBDMO COCC[N@@H+]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000121585745 532034993 /nfs/dbraw/zinc/03/49/93/532034993.db2.gz DLXRQJTVXFNWAM-NSHDSACASA-N 1 1 386.246 2.150 20 5 GEBDMO COCC[N@H+]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000121585745 532035002 /nfs/dbraw/zinc/03/50/02/532035002.db2.gz DLXRQJTVXFNWAM-NSHDSACASA-N 1 1 386.246 2.150 20 5 GEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177108133 532161951 /nfs/dbraw/zinc/16/19/51/532161951.db2.gz OSTYKLAFLCXCRP-GFCCVEGCSA-N 1 1 386.246 2.198 20 5 GEBDMO C[N@H+]1CC[C@@H](Cn2nnnc2Sc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000131959799 532207508 /nfs/dbraw/zinc/20/75/08/532207508.db2.gz FCSIACRXTFVBQE-SECBINFHSA-N 1 1 399.274 2.447 20 5 GEBDMO NC(=O)c1ccc(C[NH2+][C@@H](CO)c2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000183897130 532329882 /nfs/dbraw/zinc/32/98/82/532329882.db2.gz BATXQIVDLYBCJS-AWEZNQCLSA-N 1 1 394.225 2.279 20 5 GEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c(Br)c1 ZINC000373957325 532482064 /nfs/dbraw/zinc/48/20/64/532482064.db2.gz UKFODFLSXPIZMH-ZDUSSCGKSA-N 1 1 399.289 2.176 20 5 GEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c(Br)c1 ZINC000373957325 532482069 /nfs/dbraw/zinc/48/20/69/532482069.db2.gz UKFODFLSXPIZMH-ZDUSSCGKSA-N 1 1 399.289 2.176 20 5 GEBDMO C[N@@H+]1CC[C@H]2CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375041589 532530008 /nfs/dbraw/zinc/53/00/08/532530008.db2.gz RFUCGPFQSNDEJB-HZMBPMFUSA-N 1 1 375.397 2.122 20 5 GEBDMO C[N@H+]1CC[C@H]2CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375041589 532530014 /nfs/dbraw/zinc/53/00/14/532530014.db2.gz RFUCGPFQSNDEJB-HZMBPMFUSA-N 1 1 375.397 2.122 20 5 GEBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3ccc(Br)cc3)CC2)c1 ZINC000595722772 532569900 /nfs/dbraw/zinc/56/99/00/532569900.db2.gz IPJLDGYGOONGNS-UHFFFAOYSA-N 1 1 380.246 2.376 20 5 GEBDMO CS[C@@H]1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000436439308 532633816 /nfs/dbraw/zinc/63/38/16/532633816.db2.gz MIGJPUHIKVNZFI-ZIAGYGMSSA-N 1 1 385.511 2.014 20 5 GEBDMO C[C@@H]1C[NH+](C[C@@H](O)COc2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000533708712 532665868 /nfs/dbraw/zinc/66/58/68/532665868.db2.gz YEKQDJDGXQKKNQ-NQBHXWOUSA-N 1 1 389.246 2.206 20 5 GEBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599370760 532659523 /nfs/dbraw/zinc/65/95/23/532659523.db2.gz JULFKFZDIXFTCS-NSHDSACASA-N 1 1 386.246 2.198 20 5 GEBDMO C[N@H+]1CCN(CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1(C)C ZINC000599900767 532670325 /nfs/dbraw/zinc/67/03/25/532670325.db2.gz PGENOPIOBNUGRT-UHFFFAOYSA-N 1 1 399.289 2.113 20 5 GEBDMO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCCN2CCC2)c1 ZINC000569708760 532705299 /nfs/dbraw/zinc/70/52/99/532705299.db2.gz RZXCNRCEWJPFFO-UHFFFAOYSA-N 1 1 375.210 2.385 20 5 GEBDMO C[C@H]1CC[N@H+](C)CCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000500040078 532731946 /nfs/dbraw/zinc/73/19/46/532731946.db2.gz RBGZBJKKKWXOTG-JTQLQIEISA-N 1 1 392.275 2.072 20 5 GEBDMO C[C@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000500040078 532731949 /nfs/dbraw/zinc/73/19/49/532731949.db2.gz RBGZBJKKKWXOTG-JTQLQIEISA-N 1 1 392.275 2.072 20 5 GEBDMO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000301286656 532747668 /nfs/dbraw/zinc/74/76/68/532747668.db2.gz VOAIQBKNNIMAST-LLVKDONJSA-N 1 1 375.397 2.266 20 5 GEBDMO COCCOCC[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289689753 532863099 /nfs/dbraw/zinc/86/30/99/532863099.db2.gz IAQYTSODXSXIKM-UHFFFAOYSA-N 1 1 394.209 2.294 20 5 GEBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000416383708 532873931 /nfs/dbraw/zinc/87/39/31/532873931.db2.gz GUYFBKLKDOVZST-UHFFFAOYSA-N 1 1 381.376 2.330 20 5 GEBDMO CC[N@H+]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000416383708 532873935 /nfs/dbraw/zinc/87/39/35/532873935.db2.gz GUYFBKLKDOVZST-UHFFFAOYSA-N 1 1 381.376 2.330 20 5 GEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000290809642 532890088 /nfs/dbraw/zinc/89/00/88/532890088.db2.gz SDCPMSZUBPETAZ-ZWNOBZJWSA-N 1 1 391.852 2.492 20 5 GEBDMO C[N@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000290738498 532888390 /nfs/dbraw/zinc/88/83/90/532888390.db2.gz LUNJQMBZWBFBOH-GWCFXTLKSA-N 1 1 391.852 2.492 20 5 GEBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821614509 599081013 /nfs/dbraw/zinc/08/10/13/599081013.db2.gz JCFZIVRTXFXDRJ-INIZCTEOSA-N 1 1 379.424 2.486 20 5 GEBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(-c2nn[nH]n2)cc1 ZINC000736135197 598274663 /nfs/dbraw/zinc/27/46/63/598274663.db2.gz NWTABMMHTYPWDX-NSHDSACASA-N 1 1 382.380 2.492 20 5 GEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000737194246 598816682 /nfs/dbraw/zinc/81/66/82/598816682.db2.gz GDEOFKQYTDCLHP-CQSZACIVSA-N 1 1 379.424 2.486 20 5 GEBDMO Cc1[nH+]ccn1CCCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822477958 599577473 /nfs/dbraw/zinc/57/74/73/599577473.db2.gz NPSBWESTLYMJLV-UHFFFAOYSA-N 1 1 379.384 2.330 20 5 GEBDMO CN(c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821619480 606789072 /nfs/dbraw/zinc/78/90/72/606789072.db2.gz YUVZBTSBYUUPDM-INIZCTEOSA-N 1 1 379.424 2.486 20 5 GEBDMO CC(C)[N@H+]1CC[C@@H](CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820129307 606797597 /nfs/dbraw/zinc/79/75/97/606797597.db2.gz YOOYMPVJAXWHKE-LBPRGKRZSA-N 1 1 382.428 2.465 20 5 GEBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825428316 608061213 /nfs/dbraw/zinc/06/12/13/608061213.db2.gz JHICEPISDJHAIM-ZDUSSCGKSA-N 1 1 383.412 2.020 20 5 GEBDMO C[C@H]([NH2+][C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000824553842 608392079 /nfs/dbraw/zinc/39/20/79/608392079.db2.gz IUYMPYOZBFQMEQ-GXFFZTMASA-N 1 1 399.436 2.293 20 5 GEBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000447024676 649994686 /nfs/dbraw/zinc/99/46/86/649994686.db2.gz AIXYNNOXQYFWCR-NXEZZACHSA-N 1 1 392.275 2.118 20 5 GEBDMO C[C@H]1CC[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447029765 649995133 /nfs/dbraw/zinc/99/51/33/649995133.db2.gz MOZZUYKHDWADNC-JTQLQIEISA-N 1 1 392.275 2.072 20 5 GEBDMO C[C@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447029765 649995135 /nfs/dbraw/zinc/99/51/35/649995135.db2.gz MOZZUYKHDWADNC-JTQLQIEISA-N 1 1 392.275 2.072 20 5 GEBDMO C[C@@H]1C[N@@H+](CCO)CCN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000450955384 650076462 /nfs/dbraw/zinc/07/64/62/650076462.db2.gz PIFUOVGDHXXJDK-LLVKDONJSA-N 1 1 395.257 2.408 20 5 GEBDMO C[N@@H+](Cc1ccc(F)cc1Br)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000485008055 650692111 /nfs/dbraw/zinc/69/21/11/650692111.db2.gz URGIDEDAHYDNAX-ZDUSSCGKSA-N 1 1 387.209 2.186 20 5 GEBDMO C[N@H+](Cc1ccc(F)cc1Br)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000485008055 650692113 /nfs/dbraw/zinc/69/21/13/650692113.db2.gz URGIDEDAHYDNAX-ZDUSSCGKSA-N 1 1 387.209 2.186 20 5 GEBDMO O=C(NCC[NH+]1CCSCC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000490621674 650777301 /nfs/dbraw/zinc/77/73/01/650777301.db2.gz KBQXGCOYGYLJPM-UHFFFAOYSA-N 1 1 376.385 2.367 20 5 GEBDMO COc1cccc([C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)[NH+](C)C)c1 ZINC000064243003 642871427 /nfs/dbraw/zinc/87/14/27/642871427.db2.gz VMDBGAWXAMJMOT-ZDUSSCGKSA-N 1 1 385.467 2.246 20 5 GEBDMO CC[N@H+](CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])CCC(F)(F)F ZINC000494407374 650806906 /nfs/dbraw/zinc/80/69/06/650806906.db2.gz UCBFVPBCUJEMCG-UHFFFAOYSA-N 1 1 383.392 2.289 20 5 GEBDMO CC[N@@H+](CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])CCC(F)(F)F ZINC000494407374 650806907 /nfs/dbraw/zinc/80/69/07/650806907.db2.gz UCBFVPBCUJEMCG-UHFFFAOYSA-N 1 1 383.392 2.289 20 5 GEBDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000113267791 643388400 /nfs/dbraw/zinc/38/84/00/643388400.db2.gz DYWAVUSBCGUNQE-WCQYABFASA-N 1 1 397.273 2.464 20 5 GEBDMO C[NH+]1CCN(CCCCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000161900996 644224506 /nfs/dbraw/zinc/22/45/06/644224506.db2.gz TVQJGTAEMMPDMN-UHFFFAOYSA-N 1 1 399.289 2.115 20 5 GEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000178931429 644445324 /nfs/dbraw/zinc/44/53/24/644445324.db2.gz MDKNYCWIVYXVKK-HNNXBMFYSA-N 1 1 383.495 2.421 20 5 GEBDMO O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000180574731 644508680 /nfs/dbraw/zinc/50/86/80/644508680.db2.gz MRFSASSOVVYXSN-GFCCVEGCSA-N 1 1 398.257 2.152 20 5 GEBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)c1 ZINC000192918671 645230257 /nfs/dbraw/zinc/23/02/57/645230257.db2.gz ZSTVOBGJQDKZHN-UHFFFAOYSA-N 1 1 385.511 2.235 20 5 GEBDMO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000268155365 645948750 /nfs/dbraw/zinc/94/87/50/645948750.db2.gz NNXPCEMNAVNDJN-CMPLNLGQSA-N 1 1 377.413 2.368 20 5 GEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000268155365 645948754 /nfs/dbraw/zinc/94/87/54/645948754.db2.gz NNXPCEMNAVNDJN-CMPLNLGQSA-N 1 1 377.413 2.368 20 5 GEBDMO CS[C@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000274715081 646328423 /nfs/dbraw/zinc/32/84/23/646328423.db2.gz ZGNSQTKAYDMCFQ-HOTGVXAUSA-N 1 1 385.511 2.014 20 5 GEBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363258319 647589181 /nfs/dbraw/zinc/58/91/81/647589181.db2.gz FOOLMHVTUAQNFT-YUTCNCBUSA-N 1 1 385.873 2.353 20 5 GEBDMO CCC[N@H+]1CC[C@@H](CNc2c(I)cncc2[N+](=O)[O-])C1 ZINC000418847196 648316962 /nfs/dbraw/zinc/31/69/62/648316962.db2.gz HPUVEEQGVFDXEZ-JTQLQIEISA-N 1 1 390.225 2.160 20 5 GEBDMO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000420762627 648453450 /nfs/dbraw/zinc/45/34/50/648453450.db2.gz IHBKVNWAWHMWJE-NSHDSACASA-N 1 1 392.275 2.072 20 5 GEBDMO COC[C@]1(C(=O)OC)CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425494882 648681800 /nfs/dbraw/zinc/68/18/00/648681800.db2.gz RIHHFSBYXBBOAD-HNNXBMFYSA-N 1 1 387.230 2.369 20 5 GEBDMO COC[C@]1(C(=O)OC)CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425494882 648681803 /nfs/dbraw/zinc/68/18/03/648681803.db2.gz RIHHFSBYXBBOAD-HNNXBMFYSA-N 1 1 387.230 2.369 20 5 GEBDMO C[N@H+](Cc1cc(Br)cs1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438832325 648806001 /nfs/dbraw/zinc/80/60/01/648806001.db2.gz UKOFKEDWNARWSH-LLVKDONJSA-N 1 1 375.248 2.108 20 5 GEBDMO C[N@@H+]1CCO[C@@H](CNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000609425903 651619467 /nfs/dbraw/zinc/61/94/67/651619467.db2.gz UQFWMMLJMKTMSU-NSHDSACASA-N 1 1 381.230 2.070 20 5 GEBDMO C[N@H+]1CCO[C@@H](CNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000609425903 651619471 /nfs/dbraw/zinc/61/94/71/651619471.db2.gz UQFWMMLJMKTMSU-NSHDSACASA-N 1 1 381.230 2.070 20 5 GEBDMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000610572470 651671372 /nfs/dbraw/zinc/67/13/72/651671372.db2.gz IKGWJZSGZKJERX-DZGCQCFKSA-N 1 1 398.257 2.029 20 5 GEBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](CC2CCSCC2)CC1 ZINC000602434421 653180653 /nfs/dbraw/zinc/18/06/53/653180653.db2.gz QUOCCXXGGPCDMG-UHFFFAOYSA-N 1 1 385.511 2.044 20 5 GEBDMO CC1(C)CN(Cc2cc(Br)c([N+](=O)[O-])s2)CC[N@@H+]1CCO ZINC000602626891 653195926 /nfs/dbraw/zinc/19/59/26/653195926.db2.gz AXCHBNHTHVXLRU-UHFFFAOYSA-N 1 1 378.292 2.307 20 5 GEBDMO CC1(C)CN(Cc2cc(Br)c([N+](=O)[O-])s2)CC[N@H+]1CCO ZINC000602626891 653195934 /nfs/dbraw/zinc/19/59/34/653195934.db2.gz AXCHBNHTHVXLRU-UHFFFAOYSA-N 1 1 378.292 2.307 20 5 GEBDMO CN(CCCN1CC[NH+](C)CC1)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602658442 653199022 /nfs/dbraw/zinc/19/90/22/653199022.db2.gz XTTHVBUOYAIZDJ-UHFFFAOYSA-N 1 1 391.335 2.488 20 5 GEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)n1 ZINC000602886066 653212428 /nfs/dbraw/zinc/21/24/28/653212428.db2.gz IUUUQVODAFRADI-GFCCVEGCSA-N 1 1 382.218 2.102 20 5 GEBDMO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809817048 653299844 /nfs/dbraw/zinc/29/98/44/653299844.db2.gz VSCFZJGDLNLHKK-JTQLQIEISA-N 1 1 377.825 2.245 20 5 GEBDMO CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809817048 653299859 /nfs/dbraw/zinc/29/98/59/653299859.db2.gz VSCFZJGDLNLHKK-JTQLQIEISA-N 1 1 377.825 2.245 20 5 GEBDMO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000857335405 653310821 /nfs/dbraw/zinc/31/08/21/653310821.db2.gz UGJAMXKOAPERLP-LBPRGKRZSA-N 1 1 398.257 2.029 20 5 GEBDMO O=[N+]([O-])c1sc(CNC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1Br ZINC000877021749 653460948 /nfs/dbraw/zinc/46/09/48/653460948.db2.gz FXYQKAXDSCFDBR-ZJUUUORDSA-N 1 1 376.276 2.372 20 5 GEBDMO O=C(O[C@H]1C[C@@H]([NH+]2CCOCC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000838906572 653635421 /nfs/dbraw/zinc/63/54/21/653635421.db2.gz KRLAKGJPDMIYFE-TXEJJXNPSA-N 1 1 385.214 2.377 20 5 GEBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000814987195 653641958 /nfs/dbraw/zinc/64/19/58/653641958.db2.gz LLKMWLCXRYIHCR-SECBINFHSA-N 1 1 377.825 2.150 20 5 GEBDMO C[N@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000815024899 653645196 /nfs/dbraw/zinc/64/51/96/653645196.db2.gz ORLNEDGQVZNCDD-GXFFZTMASA-N 1 1 391.852 2.492 20 5 GEBDMO C[N@H+]1CC[C@]2(CCN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])C2)C1 ZINC000815049308 653648239 /nfs/dbraw/zinc/64/82/39/653648239.db2.gz YTSUGLMHFYPRDS-AWEZNQCLSA-N 1 1 377.825 2.104 20 5 GEBDMO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)OCC[NH+]1CCC1 ZINC000861392718 653656551 /nfs/dbraw/zinc/65/65/51/653656551.db2.gz XOPIXLAXUXYAAO-UHFFFAOYSA-N 1 1 390.177 2.370 20 5 GEBDMO COC(=O)[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000840498238 653687054 /nfs/dbraw/zinc/68/70/54/653687054.db2.gz IBSQYUOFJJKNSO-VIFPVBQESA-N 1 1 390.223 2.078 20 5 GEBDMO COC(=O)[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000840498238 653687056 /nfs/dbraw/zinc/68/70/56/653687056.db2.gz IBSQYUOFJJKNSO-VIFPVBQESA-N 1 1 390.223 2.078 20 5 GEBDMO C[N@H+]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)[C@@H](Cc2ccccc2)C1 ZINC000844743433 653816106 /nfs/dbraw/zinc/81/61/06/653816106.db2.gz XNJZWRQUAACGGF-AWEZNQCLSA-N 1 1 394.273 2.370 20 5 GEBDMO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@H]1CC[N@H+](C2CC2)C1 ZINC000883416061 653839593 /nfs/dbraw/zinc/83/95/93/653839593.db2.gz KUEUCGPKDLWXEY-LBPRGKRZSA-N 1 1 383.246 2.393 20 5 GEBDMO CN(C)S(=O)(=O)C1(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000895809798 653851104 /nfs/dbraw/zinc/85/11/04/653851104.db2.gz BAJNYAYYHXPPDJ-UHFFFAOYSA-N 1 1 381.376 2.127 20 5 GEBDMO CCCN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000823499973 653870173 /nfs/dbraw/zinc/87/01/73/653870173.db2.gz QTRKEICPHJQKHM-LLVKDONJSA-N 1 1 385.262 2.496 20 5 GEBDMO C[N@H+]1C[C@H]2CCN(C(=O)NCc3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000896447160 653880465 /nfs/dbraw/zinc/88/04/65/653880465.db2.gz QNWHCQYEMGYGJG-RISCZKNCSA-N 1 1 383.246 2.203 20 5 GEBDMO CN([C@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000867424647 653931096 /nfs/dbraw/zinc/93/10/96/653931096.db2.gz QWTSYFCCZRBLLM-ZDUSSCGKSA-N 1 1 377.825 2.102 20 5 GEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827233653 653982160 /nfs/dbraw/zinc/98/21/60/653982160.db2.gz QWBHKRJWXDBFEN-OCCSQVGLSA-N 1 1 382.258 2.452 20 5 GEBDMO CC[N@@H+](CCNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])C1CC1 ZINC000796108410 653986685 /nfs/dbraw/zinc/98/66/85/653986685.db2.gz OCILCPRTVHDMAD-UHFFFAOYSA-N 1 1 399.289 2.394 20 5 GEBDMO C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)CC[C@H]21 ZINC000867809893 653990964 /nfs/dbraw/zinc/99/09/64/653990964.db2.gz VDXQMGUAQLTBCM-JOYOIKCWSA-N 1 1 377.825 2.102 20 5 GEBDMO CC(C)[N@@H+](C)CCNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796433015 653997727 /nfs/dbraw/zinc/99/77/27/653997727.db2.gz CJEOJOHXYKMVEP-UHFFFAOYSA-N 1 1 387.278 2.250 20 5 GEBDMO CN(CC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796638676 654002934 /nfs/dbraw/zinc/00/29/34/654002934.db2.gz FGKNXXMIHGCTNJ-CYBMUJFWSA-N 1 1 399.289 2.346 20 5 GEBDMO O=[N+]([O-])c1cn(Cc2ccc(C[NH+]3CCOCC3)cc2)c(Br)n1 ZINC000849993248 654065351 /nfs/dbraw/zinc/06/53/51/654065351.db2.gz RYCPBTVKRQMILB-UHFFFAOYSA-N 1 1 381.230 2.434 20 5 GEBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C[C@@H]2C1 ZINC000916662093 654104064 /nfs/dbraw/zinc/10/40/64/654104064.db2.gz KDZMGZPWFPYSQR-ZJUUUORDSA-N 1 1 394.280 2.474 20 5 GEBDMO Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000799763209 654110393 /nfs/dbraw/zinc/11/03/93/654110393.db2.gz BNMMCUNMSJEXDM-SNVBAGLBSA-N 1 1 392.275 2.038 20 5 GEBDMO Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000799763209 654110394 /nfs/dbraw/zinc/11/03/94/654110394.db2.gz BNMMCUNMSJEXDM-SNVBAGLBSA-N 1 1 392.275 2.038 20 5 GEBDMO C[N@@H+]1CC=C(CNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000889721495 654164344 /nfs/dbraw/zinc/16/43/44/654164344.db2.gz DZIIJUDQGUWAKX-UHFFFAOYSA-N 1 1 383.246 2.418 20 5 GEBDMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889763903 654170025 /nfs/dbraw/zinc/17/00/25/654170025.db2.gz OVXYKOZLIIUGQH-LSDHHAIUSA-N 1 1 398.257 2.029 20 5 GEBDMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889767606 654170757 /nfs/dbraw/zinc/17/07/57/654170757.db2.gz IDIOFLUYUMKGOW-UONOGXRCSA-N 1 1 398.257 2.029 20 5 GEBDMO CCC[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(C)C1=O ZINC000801586046 654201133 /nfs/dbraw/zinc/20/11/33/654201133.db2.gz YTMZKNUOTFUXPU-CYBMUJFWSA-N 1 1 384.230 2.327 20 5 GEBDMO CCC[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(C)C1=O ZINC000801586046 654201137 /nfs/dbraw/zinc/20/11/37/654201137.db2.gz YTMZKNUOTFUXPU-CYBMUJFWSA-N 1 1 384.230 2.327 20 5 GEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000802979423 654253516 /nfs/dbraw/zinc/25/35/16/654253516.db2.gz YNCKWLBUPWCJOS-NWDGAFQWSA-N 1 1 399.289 2.345 20 5 GEBDMO O=[N+]([O-])c1cnc2cc(Br)ccc2c1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000894349781 654467599 /nfs/dbraw/zinc/46/75/99/654467599.db2.gz OSJPGURVTZCDOQ-GFCCVEGCSA-N 1 1 393.241 2.161 20 5 GEBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])C2 ZINC001164815856 720122266 /nfs/dbraw/zinc/12/22/66/720122266.db2.gz WKZAUXUOFDSLNH-RDTXWAMCSA-N 1 1 396.875 2.066 20 5 GEBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164727877 720409418 /nfs/dbraw/zinc/40/94/18/720409418.db2.gz SAICEVHMAWEEFH-ZWKOTPCHSA-N 1 1 397.435 2.415 20 5 GEBDMO Cc1ncc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164833770 720534345 /nfs/dbraw/zinc/53/43/45/720534345.db2.gz BOBUVTKLMNOLHM-BRWVUGGUSA-N 1 1 385.472 2.268 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nccc(Cl)c4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164765845 721077003 /nfs/dbraw/zinc/07/70/03/721077003.db2.gz JXVNMJLKURPJJB-KGLIPLIRSA-N 1 1 376.848 2.335 20 5 GEBDMO COc1cc(C)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164864040 721080392 /nfs/dbraw/zinc/08/03/92/721080392.db2.gz DQLQMKIEWXHFJA-DLBZAZTESA-N 1 1 399.451 2.182 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc5cccc([N+](=O)[O-])c54)C[C@@H]3C2)cn1 ZINC001164763866 721233613 /nfs/dbraw/zinc/23/36/13/721233613.db2.gz NJLKGRYFRGSNJR-CVEARBPZSA-N 1 1 393.451 2.230 20 5 GEBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164788449 721397798 /nfs/dbraw/zinc/39/77/98/721397798.db2.gz SABIJMOBFIJSHF-PHIMTYICSA-N 1 1 380.861 2.371 20 5 GEBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164788449 721397800 /nfs/dbraw/zinc/39/78/00/721397800.db2.gz SABIJMOBFIJSHF-PHIMTYICSA-N 1 1 380.861 2.371 20 5 GEBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165038636 721905696 /nfs/dbraw/zinc/90/56/96/721905696.db2.gz MTVGVCOWIZXJCD-LBPRGKRZSA-N 1 1 377.832 2.492 20 5 GEBDMO O=[N+]([O-])c1cc(-c2ccc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)nn2)ccc1F ZINC001164967406 722076730 /nfs/dbraw/zinc/07/67/30/722076730.db2.gz FAKBUBZVYWWVHF-IYBDPMFKSA-N 1 1 399.426 2.490 20 5 GEBDMO COc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164984755 722106334 /nfs/dbraw/zinc/10/63/34/722106334.db2.gz UVAOGCRFIIDNGV-FUHWJXTLSA-N 1 1 399.451 2.121 20 5 GEBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(Cc3ccc(Br)cc3)CC2)n1 ZINC000163954620 531867375 /nfs/dbraw/zinc/86/73/75/531867375.db2.gz HDXHOFHZIIRAJO-UHFFFAOYSA-N 1 1 394.273 2.372 20 5 GEBDMO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000173406409 532009671 /nfs/dbraw/zinc/00/96/71/532009671.db2.gz DZIMFHVGDWTLGV-SNVBAGLBSA-N 1 1 392.275 2.072 20 5 GEBDMO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000173406409 532009677 /nfs/dbraw/zinc/00/96/77/532009677.db2.gz DZIMFHVGDWTLGV-SNVBAGLBSA-N 1 1 392.275 2.072 20 5 GEBDMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000177346298 532168375 /nfs/dbraw/zinc/16/83/75/532168375.db2.gz ACOHBEGPZSLFMD-LBPRGKRZSA-N 1 1 398.257 2.152 20 5 GEBDMO Cc1c(Br)cc(C(=O)NCC[N@@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000189396592 532352175 /nfs/dbraw/zinc/35/21/75/532352175.db2.gz CRVHZCIAPFZKEV-UHFFFAOYSA-N 1 1 386.246 2.118 20 5 GEBDMO Cc1c(Br)cc(C(=O)NCC[N@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000189396592 532352176 /nfs/dbraw/zinc/35/21/76/532352176.db2.gz CRVHZCIAPFZKEV-UHFFFAOYSA-N 1 1 386.246 2.118 20 5 GEBDMO COC[C@]1(C(=O)OC)CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000295104786 532404063 /nfs/dbraw/zinc/40/40/63/532404063.db2.gz UCGHMGMLDDBXLC-HNNXBMFYSA-N 1 1 387.230 2.369 20 5 GEBDMO COC[C@]1(C(=O)OC)CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000295104786 532404069 /nfs/dbraw/zinc/40/40/69/532404069.db2.gz UCGHMGMLDDBXLC-HNNXBMFYSA-N 1 1 387.230 2.369 20 5 GEBDMO COC(C[N@H+](CCCO)Cc1ccc(Br)c([N+](=O)[O-])c1)OC ZINC000283116585 532519648 /nfs/dbraw/zinc/51/96/48/532519648.db2.gz MRJGFZKWPRTFBB-UHFFFAOYSA-N 1 1 377.235 2.161 20 5 GEBDMO COC(C[N@@H+](CCCO)Cc1ccc(Br)c([N+](=O)[O-])c1)OC ZINC000283116585 532519652 /nfs/dbraw/zinc/51/96/52/532519652.db2.gz MRJGFZKWPRTFBB-UHFFFAOYSA-N 1 1 377.235 2.161 20 5 GEBDMO C[N@@H+]1CC[C@@H]2CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375041592 532529435 /nfs/dbraw/zinc/52/94/35/532529435.db2.gz RFUCGPFQSNDEJB-YGRLFVJLSA-N 1 1 375.397 2.122 20 5 GEBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375041592 532529445 /nfs/dbraw/zinc/52/94/45/532529445.db2.gz RFUCGPFQSNDEJB-YGRLFVJLSA-N 1 1 375.397 2.122 20 5 GEBDMO C[N@@H+]1CC[C@H]2CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])C[C@H]21 ZINC000375041590 532529639 /nfs/dbraw/zinc/52/96/39/532529639.db2.gz RFUCGPFQSNDEJB-IINYFYTJSA-N 1 1 375.397 2.122 20 5 GEBDMO C[N@H+]1CC[C@H]2CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])C[C@H]21 ZINC000375041590 532529643 /nfs/dbraw/zinc/52/96/43/532529643.db2.gz RFUCGPFQSNDEJB-IINYFYTJSA-N 1 1 375.397 2.122 20 5 GEBDMO CN(C)C(=O)C[NH+]1CCC(Nc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596119510 532586771 /nfs/dbraw/zinc/58/67/71/532586771.db2.gz CVQTUAVCXILQTF-UHFFFAOYSA-N 1 1 385.262 2.322 20 5 GEBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596104863 532587024 /nfs/dbraw/zinc/58/70/24/532587024.db2.gz OSANWQFYKIVXRR-NSHDSACASA-N 1 1 385.262 2.357 20 5 GEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000284410787 532590579 /nfs/dbraw/zinc/59/05/79/532590579.db2.gz DONSOPFOSFVXAF-UHFFFAOYSA-N 1 1 399.289 2.033 20 5 GEBDMO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000597693119 532624062 /nfs/dbraw/zinc/62/40/62/532624062.db2.gz BFBQLIFHXVAPMX-GJZGRUSLSA-N 1 1 398.257 2.293 20 5 GEBDMO Cc1c(Br)cc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000378256821 532686439 /nfs/dbraw/zinc/68/64/39/532686439.db2.gz ZOMZTBDCUVFYQH-CHWSQXEVSA-N 1 1 398.257 2.259 20 5 GEBDMO C[C@H](CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000488670719 532701488 /nfs/dbraw/zinc/70/14/88/532701488.db2.gz RXLIZSPNVZCGOW-SECBINFHSA-N 1 1 392.275 2.118 20 5 GEBDMO C[C@@H](CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000488670724 532701517 /nfs/dbraw/zinc/70/15/17/532701517.db2.gz RXLIZSPNVZCGOW-VIFPVBQESA-N 1 1 392.275 2.118 20 5 GEBDMO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)[C@H]2C1 ZINC000286425899 532746714 /nfs/dbraw/zinc/74/67/14/532746714.db2.gz MPJAOOHNOIAVMW-CABZTGNLSA-N 1 1 377.825 2.102 20 5 GEBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)[C@H]2C1 ZINC000286425899 532746719 /nfs/dbraw/zinc/74/67/19/532746719.db2.gz MPJAOOHNOIAVMW-CABZTGNLSA-N 1 1 377.825 2.102 20 5 GEBDMO O=[N+]([O-])c1cnc(N2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)c(Br)c1 ZINC000301560294 532754711 /nfs/dbraw/zinc/75/47/11/532754711.db2.gz KDILMMHOXQMRGD-RYUDHWBXSA-N 1 1 385.262 2.178 20 5 GEBDMO O=[N+]([O-])c1cc(Br)cnc1N1CCC[N@H+](C2CCOCC2)CC1 ZINC000301712483 532757101 /nfs/dbraw/zinc/75/71/01/532757101.db2.gz YKCKZDZHZHMHGI-UHFFFAOYSA-N 1 1 385.262 2.443 20 5 GEBDMO COc1cc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000268253437 532759078 /nfs/dbraw/zinc/75/90/78/532759078.db2.gz KMXYPVMEZMUUGU-CQSZACIVSA-N 1 1 385.467 2.246 20 5 GEBDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554934387 532806358 /nfs/dbraw/zinc/80/63/58/532806358.db2.gz LRKRRXUTTGARMP-SECBINFHSA-N 1 1 392.193 2.440 20 5 GEBDMO O=C(C1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1)N1CCCC1 ZINC000053845963 205137835 /nfs/dbraw/zinc/13/78/35/205137835.db2.gz VAHUPQFQEOJPJN-UHFFFAOYSA-N 1 1 385.424 2.479 20 5 GEBDMO CC[N@@H+](CCOCCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289339977 532852987 /nfs/dbraw/zinc/85/29/87/532852987.db2.gz FRISLCLQQKLIER-UHFFFAOYSA-N 1 1 394.209 2.030 20 5 GEBDMO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289504895 532856934 /nfs/dbraw/zinc/85/69/34/532856934.db2.gz KZPVGFOBUILNQO-UGZDLDLSSA-N 1 1 396.250 2.398 20 5 GEBDMO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289504895 532856937 /nfs/dbraw/zinc/85/69/37/532856937.db2.gz KZPVGFOBUILNQO-UGZDLDLSSA-N 1 1 396.250 2.398 20 5 GEBDMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416367988 532872151 /nfs/dbraw/zinc/87/21/51/532872151.db2.gz GBVLURPCJPGEKD-NSHDSACASA-N 1 1 381.376 2.376 20 5 GEBDMO C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000416459438 532878203 /nfs/dbraw/zinc/87/82/03/532878203.db2.gz SODSABUCJOKCII-KOLCDFICSA-N 1 1 381.376 2.375 20 5 GEBDMO C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC[N@H+]1C ZINC000416459438 532878205 /nfs/dbraw/zinc/87/82/05/532878205.db2.gz SODSABUCJOKCII-KOLCDFICSA-N 1 1 381.376 2.375 20 5 GEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000290809638 532890041 /nfs/dbraw/zinc/89/00/41/532890041.db2.gz SDCPMSZUBPETAZ-MFKMUULPSA-N 1 1 391.852 2.492 20 5 GEBDMO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccncc1Cl ZINC000421845696 532890998 /nfs/dbraw/zinc/89/09/98/532890998.db2.gz QQYJWWGPLHYCBB-NSHDSACASA-N 1 1 384.845 2.272 20 5 GEBDMO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)NCc1ccc(Cl)s1 ZINC000369683116 532940379 /nfs/dbraw/zinc/94/03/79/532940379.db2.gz IZSLEASYCLKSCH-UHFFFAOYSA-N 1 1 383.861 2.460 20 5 GEBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736204942 598498996 /nfs/dbraw/zinc/49/89/96/598498996.db2.gz UNNSPAKOIATMQY-GXTWGEPZSA-N 1 1 380.412 2.417 20 5 GEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000820570536 599365490 /nfs/dbraw/zinc/36/54/90/599365490.db2.gz LXUYFAHIYVLQOW-ZDUSSCGKSA-N 1 1 380.412 2.053 20 5 GEBDMO O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc(-c3nn[nH]n3)c2c1 ZINC000823645544 599483853 /nfs/dbraw/zinc/48/38/53/599483853.db2.gz TUJJSJWUSOFKCK-VXGBXAGGSA-N 1 1 380.412 2.362 20 5 GEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820761628 606470648 /nfs/dbraw/zinc/47/06/48/606470648.db2.gz YVQIGNFOCVSBMS-CXAGYDPISA-N 1 1 394.439 2.492 20 5 GEBDMO CC(C)[N@@H+]1C[C@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)[C@@H](C)C1 ZINC000820751710 606805605 /nfs/dbraw/zinc/80/56/05/606805605.db2.gz HQYYVGUUUWWKRB-ZBEGNZNMSA-N 1 1 382.428 2.464 20 5 GEBDMO Cc1ccc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000826288166 608515350 /nfs/dbraw/zinc/51/53/50/608515350.db2.gz UIISIQAEGIXUSN-UHFFFAOYSA-N 1 1 379.424 2.406 20 5 GEBDMO C[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000447024679 649994809 /nfs/dbraw/zinc/99/48/09/649994809.db2.gz AIXYNNOXQYFWCR-VHSXEESVSA-N 1 1 392.275 2.118 20 5 GEBDMO C[C@@H]1CC[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447029766 649995082 /nfs/dbraw/zinc/99/50/82/649995082.db2.gz MOZZUYKHDWADNC-SNVBAGLBSA-N 1 1 392.275 2.072 20 5 GEBDMO C[C@@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447029766 649995086 /nfs/dbraw/zinc/99/50/86/649995086.db2.gz MOZZUYKHDWADNC-SNVBAGLBSA-N 1 1 392.275 2.072 20 5 GEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](c3cccc(Br)c3)C2)c1 ZINC000451576094 650127026 /nfs/dbraw/zinc/12/70/26/650127026.db2.gz ZKPIOSMFKRMMGP-BBRMVZONSA-N 1 1 395.257 2.404 20 5 GEBDMO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c(C)s1 ZINC000478326472 650584328 /nfs/dbraw/zinc/58/43/28/650584328.db2.gz VKKMGNAJEGTSPA-UHFFFAOYSA-N 1 1 387.458 2.480 20 5 GEBDMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000066576280 642922341 /nfs/dbraw/zinc/92/23/41/642922341.db2.gz UQSJTKLFPJKJHL-NSHDSACASA-N 1 1 392.275 2.120 20 5 GEBDMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000066576280 642922346 /nfs/dbraw/zinc/92/23/46/642922346.db2.gz UQSJTKLFPJKJHL-NSHDSACASA-N 1 1 392.275 2.120 20 5 GEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000536694410 650805492 /nfs/dbraw/zinc/80/54/92/650805492.db2.gz QDEVOGSYRHVFHB-GHMZBOCLSA-N 1 1 385.262 2.320 20 5 GEBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000153851754 644008215 /nfs/dbraw/zinc/00/82/15/644008215.db2.gz YEKQDJDGXQKKNQ-LOWVWBTDSA-N 1 1 389.246 2.206 20 5 GEBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000153851754 644008219 /nfs/dbraw/zinc/00/82/19/644008219.db2.gz YEKQDJDGXQKKNQ-LOWVWBTDSA-N 1 1 389.246 2.206 20 5 GEBDMO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163386139 644254278 /nfs/dbraw/zinc/25/42/78/644254278.db2.gz SXQCAJBJPCLIAU-LLVKDONJSA-N 1 1 381.376 2.328 20 5 GEBDMO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163386139 644254281 /nfs/dbraw/zinc/25/42/81/644254281.db2.gz SXQCAJBJPCLIAU-LLVKDONJSA-N 1 1 381.376 2.328 20 5 GEBDMO Cc1c(Br)c(N2CC[NH+](C[C@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC000544395881 650940982 /nfs/dbraw/zinc/94/09/82/650940982.db2.gz XBWICCJZRPTXCX-GFCCVEGCSA-N 1 1 385.262 2.219 20 5 GEBDMO C[N@H+]1CC=C(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000546884445 651013192 /nfs/dbraw/zinc/01/31/92/651013192.db2.gz KXQKCGZWHSXJEX-UHFFFAOYSA-N 1 1 380.253 2.442 20 5 GEBDMO C[N@@H+]1CC=C(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000546884445 651013195 /nfs/dbraw/zinc/01/31/95/651013195.db2.gz KXQKCGZWHSXJEX-UHFFFAOYSA-N 1 1 380.253 2.442 20 5 GEBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000281087158 646744661 /nfs/dbraw/zinc/74/46/61/646744661.db2.gz COQLEIBSFFDOKS-JTQLQIEISA-N 1 1 379.841 2.350 20 5 GEBDMO C[N@H+]1CC[C@@]2(CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])C2)C1 ZINC000292459095 647190998 /nfs/dbraw/zinc/19/09/98/647190998.db2.gz ZSOGNIFTXGEJEW-OAHLLOKOSA-N 1 1 375.397 2.123 20 5 GEBDMO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000362334628 647569878 /nfs/dbraw/zinc/56/98/78/647569878.db2.gz HXINQOPVJYGURQ-ZDUSSCGKSA-N 1 1 381.479 2.447 20 5 GEBDMO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000362334628 647569882 /nfs/dbraw/zinc/56/98/82/647569882.db2.gz HXINQOPVJYGURQ-ZDUSSCGKSA-N 1 1 381.479 2.447 20 5 GEBDMO Cc1[nH+]ccn1CCCNc1c(I)cncc1[N+](=O)[O-] ZINC000418877123 648320783 /nfs/dbraw/zinc/32/07/83/648320783.db2.gz IAAMGPCIKIYTIH-UHFFFAOYSA-N 1 1 387.181 2.023 20 5 GEBDMO Cn1cc[nH+]c1[C@H]1CCN(c2c(I)cncc2[N+](=O)[O-])C1 ZINC000418886809 648321161 /nfs/dbraw/zinc/32/11/61/648321161.db2.gz LRNLATBPPUMSMG-VIFPVBQESA-N 1 1 399.192 2.322 20 5 GEBDMO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000420771580 648454911 /nfs/dbraw/zinc/45/49/11/648454911.db2.gz SFHFGCLSINOORB-NSHDSACASA-N 1 1 381.376 2.328 20 5 GEBDMO COCC[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000550221561 651107279 /nfs/dbraw/zinc/10/72/79/651107279.db2.gz CTZAPBQZXQUHSA-UHFFFAOYSA-N 1 1 388.262 2.364 20 5 GEBDMO CCC[N@H+](CC(=O)NC)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000563571625 651532983 /nfs/dbraw/zinc/53/29/83/651532983.db2.gz DVFVEELKZVNURI-UHFFFAOYSA-N 1 1 391.209 2.157 20 5 GEBDMO CCC[N@@H+](CC(=O)NC)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000563571625 651532988 /nfs/dbraw/zinc/53/29/88/651532988.db2.gz DVFVEELKZVNURI-UHFFFAOYSA-N 1 1 391.209 2.157 20 5 GEBDMO CC(C)[N@H+]1CC[C@@H](CNc2c(I)cncc2[N+](=O)[O-])C1 ZINC000574668094 652035429 /nfs/dbraw/zinc/03/54/29/652035429.db2.gz XSKRZOJRYBMYCL-JTQLQIEISA-N 1 1 390.225 2.159 20 5 GEBDMO CC[N@@H+]1CC[C@H]2OCCN(c3ncc([N+](=O)[O-])c(C)c3Br)[C@H]2C1 ZINC000590141602 652575455 /nfs/dbraw/zinc/57/54/55/652575455.db2.gz MCXAEISCPUEEIS-QWHCGFSZSA-N 1 1 385.262 2.360 20 5 GEBDMO CC[N@H+]1CC[C@H]2OCCN(c3ncc([N+](=O)[O-])c(C)c3Br)[C@H]2C1 ZINC000590141602 652575460 /nfs/dbraw/zinc/57/54/60/652575460.db2.gz MCXAEISCPUEEIS-QWHCGFSZSA-N 1 1 385.262 2.360 20 5 GEBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1cccc(O)c1Cl ZINC000590185383 652576365 /nfs/dbraw/zinc/57/63/65/652576365.db2.gz HCASHNVBJKCJSL-UHFFFAOYSA-N 1 1 385.829 2.022 20 5 GEBDMO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000594965437 652698415 /nfs/dbraw/zinc/69/84/15/652698415.db2.gz IEFFMAPBDIJTSN-UKRRQHHQSA-N 1 1 382.463 2.225 20 5 GEBDMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000598454995 652816452 /nfs/dbraw/zinc/81/64/52/652816452.db2.gz YMUSURYIFOMFGC-ZDUSSCGKSA-N 1 1 398.257 2.029 20 5 GEBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000765195904 652830355 /nfs/dbraw/zinc/83/03/55/652830355.db2.gz URYPKEKECGIHDJ-UWVGGRQHSA-N 1 1 392.275 2.118 20 5 GEBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000599108103 652850394 /nfs/dbraw/zinc/85/03/94/652850394.db2.gz RHNNCZGFDJQARR-NSHDSACASA-N 1 1 380.253 2.465 20 5 GEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[NH+](CCCF)CC1 ZINC000600076478 652901971 /nfs/dbraw/zinc/90/19/71/652901971.db2.gz LTPFJCVOZDWAML-UHFFFAOYSA-N 1 1 388.237 2.404 20 5 GEBDMO Cc1cc(S(=O)(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)c([N+](=O)[O-])s1 ZINC000601371743 653088951 /nfs/dbraw/zinc/08/89/51/653088951.db2.gz MSOFPQOCAXCZFT-UHFFFAOYSA-N 1 1 382.467 2.179 20 5 GEBDMO CNS(=O)(=O)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602468461 653183679 /nfs/dbraw/zinc/18/36/79/653183679.db2.gz PAWSIQYGTGTACY-UHFFFAOYSA-N 1 1 381.376 2.127 20 5 GEBDMO Cn1cc(Br)c(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000602677219 653200173 /nfs/dbraw/zinc/20/01/73/653200173.db2.gz WERCMXXNKGZKLC-UHFFFAOYSA-N 1 1 395.261 2.244 20 5 GEBDMO Cn1cc(I)c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000602685016 653200633 /nfs/dbraw/zinc/20/06/33/653200633.db2.gz VUHJTDVCMMRRCC-UHFFFAOYSA-N 1 1 386.193 2.265 20 5 GEBDMO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1Cl ZINC000809808688 653296731 /nfs/dbraw/zinc/29/67/31/653296731.db2.gz DQAPEXVLSDZKBH-NEPJUHHUSA-N 1 1 377.825 2.292 20 5 GEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809817533 653300120 /nfs/dbraw/zinc/30/01/20/653300120.db2.gz DUFYNYJOKMFYNO-SNVBAGLBSA-N 1 1 379.841 2.350 20 5 GEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809822054 653301874 /nfs/dbraw/zinc/30/18/74/653301874.db2.gz WBSKZJZJDAHGBM-BXKDBHETSA-N 1 1 379.841 2.348 20 5 GEBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000813500575 653513732 /nfs/dbraw/zinc/51/37/32/653513732.db2.gz HWTSNZJRFFJRLH-UHFFFAOYSA-N 1 1 376.240 2.430 20 5 GEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815018634 653644193 /nfs/dbraw/zinc/64/41/93/653644193.db2.gz WDNLOPINAYLMCW-CABZTGNLSA-N 1 1 379.841 2.348 20 5 GEBDMO CC[C@H]1C[N@@H+](C)CCN1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000840091084 653674028 /nfs/dbraw/zinc/67/40/28/653674028.db2.gz ISUGSRNFAJDAOJ-LBPRGKRZSA-N 1 1 397.273 2.297 20 5 GEBDMO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[C@H]1[NH+]1CCCC1 ZINC000786797352 653728150 /nfs/dbraw/zinc/72/81/50/653728150.db2.gz QHHPVWWPMONRHM-CABCVRRESA-N 1 1 385.511 2.014 20 5 GEBDMO CN(C)c1[nH+]cc(CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)n1C ZINC000865780955 653774778 /nfs/dbraw/zinc/77/47/78/653774778.db2.gz UINIWGWCXYFKAZ-UHFFFAOYSA-N 1 1 396.245 2.016 20 5 GEBDMO O=C(NCCC[NH+]1CCOCC1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000895466058 653836531 /nfs/dbraw/zinc/83/65/31/653836531.db2.gz SBOZXBDUCIBGTM-UHFFFAOYSA-N 1 1 380.203 2.493 20 5 GEBDMO Cc1c(Br)c(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)ncc1[N+](=O)[O-] ZINC000897220585 653910992 /nfs/dbraw/zinc/91/09/92/653910992.db2.gz BSYMBRWPOZYHIL-VXGBXAGGSA-N 1 1 385.262 2.096 20 5 GEBDMO Cc1c(Br)c(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)ncc1[N+](=O)[O-] ZINC000897220585 653910993 /nfs/dbraw/zinc/91/09/93/653910993.db2.gz BSYMBRWPOZYHIL-VXGBXAGGSA-N 1 1 385.262 2.096 20 5 GEBDMO C[C@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000794743398 653918126 /nfs/dbraw/zinc/91/81/26/653918126.db2.gz ZDSRLCYKBNUQHF-UWVGGRQHSA-N 1 1 389.861 2.131 20 5 GEBDMO Cn1cc[nH+]c1N1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000827892297 654012138 /nfs/dbraw/zinc/01/21/38/654012138.db2.gz VJMFKEJACCEEPI-UHFFFAOYSA-N 1 1 380.246 2.413 20 5 GEBDMO C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000900810940 654082186 /nfs/dbraw/zinc/08/21/86/654082186.db2.gz IVBYFZVIOZQWLF-RNCFNFMXSA-N 1 1 375.256 2.266 20 5 GEBDMO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000851820518 654183199 /nfs/dbraw/zinc/18/31/99/654183199.db2.gz AWPPMGGHCPAAGR-SNVBAGLBSA-N 1 1 392.275 2.120 20 5 GEBDMO CN(CC(=O)NCC1=CC[N@@H+](C)CC1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000803033721 654261214 /nfs/dbraw/zinc/26/12/14/654261214.db2.gz KYYDKFJUSSKBPE-UHFFFAOYSA-N 1 1 397.273 2.172 20 5 GEBDMO O=[N+]([O-])c1cnc2cc(Br)ccc2c1N1CC[NH+](CCO)CC1 ZINC000891433134 654293669 /nfs/dbraw/zinc/29/36/69/654293669.db2.gz DHPVRMZSIMLNNM-UHFFFAOYSA-N 1 1 381.230 2.020 20 5 GEBDMO CC(C)[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000832764250 654293900 /nfs/dbraw/zinc/29/39/00/654293900.db2.gz KJNWOHIBLXZKFS-SNVBAGLBSA-N 1 1 379.841 2.491 20 5 GEBDMO CCN(C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000855361558 654415166 /nfs/dbraw/zinc/41/51/66/654415166.db2.gz WMERTTCYGXJDDG-CYBMUJFWSA-N 1 1 399.289 2.346 20 5 GEBDMO CCC[N@H+]1CC[C@@H](NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000856073723 654460182 /nfs/dbraw/zinc/46/01/82/654460182.db2.gz WCCWGFNAFZVWNL-CYBMUJFWSA-N 1 1 399.289 2.394 20 5 GEBDMO C[N@H+]1CC[C@H]1CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000925422376 654544367 /nfs/dbraw/zinc/54/43/67/654544367.db2.gz VAKZBCKVVSCJCE-JTQLQIEISA-N 1 1 383.246 2.129 20 5 GEBDMO O=[N+]([O-])c1ccc(Br)c(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000931066673 654727972 /nfs/dbraw/zinc/72/79/72/654727972.db2.gz KJFIEBWPDMPLON-OAHLLOKOSA-N 1 1 384.274 2.388 20 5 GEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000933436619 654812977 /nfs/dbraw/zinc/81/29/77/654812977.db2.gz USEWWHXFMIPGOR-CABZTGNLSA-N 1 1 385.262 2.352 20 5 GEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC000934953574 654868088 /nfs/dbraw/zinc/86/80/88/654868088.db2.gz ZDJBQEUPYXFDJL-GXFFZTMASA-N 1 1 397.273 2.496 20 5 GEBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])C2 ZINC001164815853 720121432 /nfs/dbraw/zinc/12/14/32/720121432.db2.gz WKZAUXUOFDSLNH-KBXCAEBGSA-N 1 1 396.875 2.066 20 5 GEBDMO Cc1ncc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164833772 720534981 /nfs/dbraw/zinc/53/49/81/720534981.db2.gz BOBUVTKLMNOLHM-GVDBMIGSSA-N 1 1 385.472 2.268 20 5 GEBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744806 720811466 /nfs/dbraw/zinc/81/14/66/720811466.db2.gz IPSXVOBSPNVEPR-NZSAHSFTSA-N 1 1 397.483 2.269 20 5 GEBDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)cc(C)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164852561 720846951 /nfs/dbraw/zinc/84/69/51/720846951.db2.gz KVBWMTCJTRHAJX-ZIAGYGMSSA-N 1 1 384.864 2.125 20 5 GEBDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)cc(C)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164852558 720847172 /nfs/dbraw/zinc/84/71/72/720847172.db2.gz KVBWMTCJTRHAJX-KBPBESRZSA-N 1 1 384.864 2.125 20 5 GEBDMO COCC[N@H+]1CCO[C@@H]2CN(c3nccc4ccc([N+](=O)[O-])cc43)CC[C@@H]2C1 ZINC001164854313 720870737 /nfs/dbraw/zinc/87/07/37/720870737.db2.gz JGIYBQLSEKNEFW-VQIMIIECSA-N 1 1 386.452 2.317 20 5 GEBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1 ZINC001164788450 721397828 /nfs/dbraw/zinc/39/78/28/721397828.db2.gz SABIJMOBFIJSHF-QWRGUYRKSA-N 1 1 380.861 2.371 20 5 GEBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164956154 722019530 /nfs/dbraw/zinc/01/95/30/722019530.db2.gz XHMIFOPKOMKHOV-UHFFFAOYSA-N 1 1 383.452 2.424 20 5 GEBDMO COc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164976652 722111218 /nfs/dbraw/zinc/11/12/18/722111218.db2.gz LZWLUIBWPATPRZ-VQIMIIECSA-N 1 1 399.451 2.121 20 5 GEBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177278289 532167211 /nfs/dbraw/zinc/16/72/11/532167211.db2.gz SKFIVSCJACYXBS-UHFFFAOYSA-N 1 1 399.289 2.067 20 5 GEBDMO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000589926435 532364990 /nfs/dbraw/zinc/36/49/90/532364990.db2.gz UTKUSIBKVPRDJQ-UFBFGSQYSA-N 1 1 380.253 2.226 20 5 GEBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000589926435 532364994 /nfs/dbraw/zinc/36/49/94/532364994.db2.gz UTKUSIBKVPRDJQ-UFBFGSQYSA-N 1 1 380.253 2.226 20 5 GEBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000590011947 532366438 /nfs/dbraw/zinc/36/64/38/532366438.db2.gz NLKKLRNJLROPDX-FZMZJTMJSA-N 1 1 387.221 2.335 20 5 GEBDMO COC(=O)c1ccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000564858591 532536038 /nfs/dbraw/zinc/53/60/38/532536038.db2.gz VDMGYVGUZFBSCO-UHFFFAOYSA-N 1 1 384.435 2.006 20 5 GEBDMO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ncc(Br)cn1 ZINC000432995700 532551379 /nfs/dbraw/zinc/55/13/79/532551379.db2.gz YFLNGIKGRXAAPA-GWCFXTLKSA-N 1 1 397.229 2.238 20 5 GEBDMO CCC[N@@H+](C)CC(C)(C)NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000595382122 532562339 /nfs/dbraw/zinc/56/23/39/532562339.db2.gz QASNGTZFQMXQTC-UHFFFAOYSA-N 1 1 377.438 2.141 20 5 GEBDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000597693117 532624042 /nfs/dbraw/zinc/62/40/42/532624042.db2.gz BFBQLIFHXVAPMX-CABCVRRESA-N 1 1 398.257 2.293 20 5 GEBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000533708713 532665353 /nfs/dbraw/zinc/66/53/53/532665353.db2.gz YEKQDJDGXQKKNQ-NTZNESFSSA-N 1 1 389.246 2.206 20 5 GEBDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000533708713 532665361 /nfs/dbraw/zinc/66/53/61/532665361.db2.gz YEKQDJDGXQKKNQ-NTZNESFSSA-N 1 1 389.246 2.206 20 5 GEBDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000567868946 532668218 /nfs/dbraw/zinc/66/82/18/532668218.db2.gz LDIJULGSIIBTQZ-SNVBAGLBSA-N 1 1 381.376 2.234 20 5 GEBDMO Cc1c(Br)cc(S(=O)(=O)NCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000439245334 532685808 /nfs/dbraw/zinc/68/58/08/532685808.db2.gz JWGXIYWZQMSBCL-UHFFFAOYSA-N 1 1 392.275 2.038 20 5 GEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301253998 532745579 /nfs/dbraw/zinc/74/55/79/532745579.db2.gz CZMTUVWCUAHRCU-LLVKDONJSA-N 1 1 377.413 2.369 20 5 GEBDMO COCC[N@H+]1CC[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000501121116 532736528 /nfs/dbraw/zinc/73/65/28/532736528.db2.gz TZKVBFYRZXXWEP-NSHDSACASA-N 1 1 387.234 2.200 20 5 GEBDMO C[C@@H]1C[N@H+](C2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)CCO1 ZINC000301521038 532753535 /nfs/dbraw/zinc/75/35/35/532753535.db2.gz GXGNAQVXFZCRCN-LLVKDONJSA-N 1 1 385.262 2.442 20 5 GEBDMO CCc1nn(C)c(Cl)c1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273490187 532824831 /nfs/dbraw/zinc/82/48/31/532824831.db2.gz NBVGYFUIUOLGKB-UHFFFAOYSA-N 1 1 386.861 2.108 20 5 GEBDMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000331133734 532833663 /nfs/dbraw/zinc/83/36/63/532833663.db2.gz BWXJFUILWKSBPA-LLVKDONJSA-N 1 1 392.275 2.120 20 5 GEBDMO O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCC[N@@H+]1CC=CCC1 ZINC000225461940 206048708 /nfs/dbraw/zinc/04/87/08/206048708.db2.gz DFTVMMXJHVPMJT-UHFFFAOYSA-N 1 1 394.497 2.443 20 5 GEBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000416285189 532869692 /nfs/dbraw/zinc/86/96/92/532869692.db2.gz BUNYWWYZACYTLO-NWDGAFQWSA-N 1 1 387.889 2.254 20 5 GEBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000416285189 532869695 /nfs/dbraw/zinc/86/96/95/532869695.db2.gz BUNYWWYZACYTLO-NWDGAFQWSA-N 1 1 387.889 2.254 20 5 GEBDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000290127903 532873736 /nfs/dbraw/zinc/87/37/36/532873736.db2.gz ZGXDDADBSKUWHM-VIFPVBQESA-N 1 1 391.209 2.013 20 5 GEBDMO CN(C[C@H]1CCC[N@@H+]1C)c1c(I)cncc1[N+](=O)[O-] ZINC000420632128 532884443 /nfs/dbraw/zinc/88/44/43/532884443.db2.gz HOJVIRFDSOBWTI-SECBINFHSA-N 1 1 376.198 2.125 20 5 GEBDMO CN(C[C@H]1CCC[N@H+]1C)c1c(I)cncc1[N+](=O)[O-] ZINC000420632128 532884445 /nfs/dbraw/zinc/88/44/45/532884445.db2.gz HOJVIRFDSOBWTI-SECBINFHSA-N 1 1 376.198 2.125 20 5 GEBDMO C[NH+]1CCN(C[C@H]2CCCN(c3ncc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000361812099 532894470 /nfs/dbraw/zinc/89/44/70/532894470.db2.gz JHNMJVDDBWLKSL-CYBMUJFWSA-N 1 1 398.305 2.216 20 5 GEBDMO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000736822779 598580295 /nfs/dbraw/zinc/58/02/95/598580295.db2.gz UCVGBCQIGJQIJQ-QGZVFWFLSA-N 1 1 393.407 2.012 20 5 GEBDMO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000736822779 598580296 /nfs/dbraw/zinc/58/02/96/598580296.db2.gz UCVGBCQIGJQIJQ-QGZVFWFLSA-N 1 1 393.407 2.012 20 5 GEBDMO Cc1cc(N2CCC[C@@H](Nc3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])C2)nc(C)[nH+]1 ZINC000737271011 598672810 /nfs/dbraw/zinc/67/28/10/598672810.db2.gz HRHHMJZSDGOBIW-CQSZACIVSA-N 1 1 395.427 2.263 20 5 GEBDMO CS[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1[NH+]1CCCC1 ZINC000445710929 649964191 /nfs/dbraw/zinc/96/41/91/649964191.db2.gz BHAAZUGDUKFOHE-QWHCGFSZSA-N 1 1 391.540 2.165 20 5 GEBDMO C[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000820280928 607166712 /nfs/dbraw/zinc/16/67/12/607166712.db2.gz PNTULIMLZXPEJR-JTQLQIEISA-N 1 1 386.441 2.090 20 5 GEBDMO Cc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)c(N2CCCC2)[nH+]1 ZINC000826288316 609312825 /nfs/dbraw/zinc/31/28/25/609312825.db2.gz AVVGOSBDYKNWGP-UHFFFAOYSA-N 1 1 381.400 2.086 20 5 GEBDMO CCCC[N@@H+](C)CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000489854045 650764724 /nfs/dbraw/zinc/76/47/24/650764724.db2.gz ATCWONLKSOONGO-UHFFFAOYSA-N 1 1 394.291 2.368 20 5 GEBDMO C[C@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000490023182 650766609 /nfs/dbraw/zinc/76/66/09/650766609.db2.gz AIEISELPSXFNBM-NSHDSACASA-N 1 1 395.257 2.408 20 5 GEBDMO C[C@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000490023182 650766612 /nfs/dbraw/zinc/76/66/12/650766612.db2.gz AIEISELPSXFNBM-NSHDSACASA-N 1 1 395.257 2.408 20 5 GEBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1I)C1CC1 ZINC000059490860 642831440 /nfs/dbraw/zinc/83/14/40/642831440.db2.gz UCURCGNNUXGHJL-UHFFFAOYSA-N 1 1 389.193 2.023 20 5 GEBDMO CCOCCC[N@H+]1CC[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000119772469 643571350 /nfs/dbraw/zinc/57/13/50/643571350.db2.gz PYPHYXUHTLRVCV-OCCSQVGLSA-N 1 1 391.515 2.072 20 5 GEBDMO C[C@H](CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000170787982 644287066 /nfs/dbraw/zinc/28/70/66/644287066.db2.gz BLPKXXZJIBOTAJ-SECBINFHSA-N 1 1 392.275 2.118 20 5 GEBDMO CC[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C1CC1 ZINC000170873330 644294351 /nfs/dbraw/zinc/29/43/51/644294351.db2.gz JFBDLGFXVWZOKA-UHFFFAOYSA-N 1 1 392.275 2.120 20 5 GEBDMO CC[N@@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000173098323 644351764 /nfs/dbraw/zinc/35/17/64/644351764.db2.gz TUXKJTMENNAUAI-UHFFFAOYSA-N 1 1 392.275 2.120 20 5 GEBDMO C[NH+](C)[C@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000178931469 644445263 /nfs/dbraw/zinc/44/52/63/644445263.db2.gz QMJIYDKOAZOTJY-OAHLLOKOSA-N 1 1 383.495 2.421 20 5 GEBDMO CN1CC[N@H+](C)C[C@H]1c1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000546498766 651000998 /nfs/dbraw/zinc/00/09/98/651000998.db2.gz VBNRUDLHICNGNZ-LBPRGKRZSA-N 1 1 382.218 2.326 20 5 GEBDMO CN1CC[N@@H+](C)C[C@H]1c1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000546498766 651001001 /nfs/dbraw/zinc/00/10/01/651001001.db2.gz VBNRUDLHICNGNZ-LBPRGKRZSA-N 1 1 382.218 2.326 20 5 GEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000270896322 646149647 /nfs/dbraw/zinc/14/96/47/646149647.db2.gz IMNRDWPADPCMPF-INIZCTEOSA-N 1 1 383.495 2.421 20 5 GEBDMO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cn1 ZINC000274953326 646336543 /nfs/dbraw/zinc/33/65/43/646336543.db2.gz VNFRWPXHGBCBAX-NSHDSACASA-N 1 1 384.845 2.272 20 5 GEBDMO CN(C)c1[nH+]cc(CNC(=O)c2cccc([N+](=O)[O-])c2Br)n1C ZINC000277304263 646399774 /nfs/dbraw/zinc/39/97/74/646399774.db2.gz PLROIDAEJVWSKS-UHFFFAOYSA-N 1 1 382.218 2.087 20 5 GEBDMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000331319422 647380449 /nfs/dbraw/zinc/38/04/49/647380449.db2.gz BOLFTRCKHHNYSX-JTQLQIEISA-N 1 1 392.275 2.120 20 5 GEBDMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000331319422 647380451 /nfs/dbraw/zinc/38/04/51/647380451.db2.gz BOLFTRCKHHNYSX-JTQLQIEISA-N 1 1 392.275 2.120 20 5 GEBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000362719709 647572015 /nfs/dbraw/zinc/57/20/15/647572015.db2.gz NMTPWKVBLNYEHY-STQMWFEESA-N 1 1 398.257 2.340 20 5 GEBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000362719709 647572017 /nfs/dbraw/zinc/57/20/17/647572017.db2.gz NMTPWKVBLNYEHY-STQMWFEESA-N 1 1 398.257 2.340 20 5 GEBDMO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@H](c3nnc[nH]3)C2)c1 ZINC000425359107 648673881 /nfs/dbraw/zinc/67/38/81/648673881.db2.gz SEIKYCZRFHPRJP-JTQLQIEISA-N 1 1 399.192 2.307 20 5 GEBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@H](c3nnc[nH]3)C2)c1 ZINC000425359107 648673883 /nfs/dbraw/zinc/67/38/83/648673883.db2.gz SEIKYCZRFHPRJP-JTQLQIEISA-N 1 1 399.192 2.307 20 5 GEBDMO C[N@H+]1CC[C@]2(CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Br)C2)C1 ZINC000429016749 648742787 /nfs/dbraw/zinc/74/27/87/648742787.db2.gz DHGIYYQVRVRWBC-INIZCTEOSA-N 1 1 397.273 2.323 20 5 GEBDMO C[N@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000608783472 651607593 /nfs/dbraw/zinc/60/75/93/651607593.db2.gz KKGVJPYXICXJAX-VIFPVBQESA-N 1 1 389.193 2.023 20 5 GEBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000610572493 651671429 /nfs/dbraw/zinc/67/14/29/651671429.db2.gz OTCWKACWCMLGNE-GFCCVEGCSA-N 1 1 386.246 2.198 20 5 GEBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1cscc1Cl ZINC000610931093 651692950 /nfs/dbraw/zinc/69/29/50/651692950.db2.gz YOSQVHZUDNHBAH-UHFFFAOYSA-N 1 1 375.859 2.378 20 5 GEBDMO Cc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)c(N2CCCC2)[nH+]1 ZINC000611584698 651730299 /nfs/dbraw/zinc/73/02/99/651730299.db2.gz ZUVRGNJEZMJSIF-UHFFFAOYSA-N 1 1 382.467 2.438 20 5 GEBDMO O=[N+]([O-])c1cncc(I)c1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000569912436 651733004 /nfs/dbraw/zinc/73/30/04/651733004.db2.gz SNWNVVDKRMTVNH-JTQLQIEISA-N 1 1 388.209 2.269 20 5 GEBDMO C[N@@H+]1CCC[C@@H]1CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000584498659 652522979 /nfs/dbraw/zinc/52/29/79/652522979.db2.gz AMFQZOSZNMBHLQ-GFCCVEGCSA-N 1 1 375.210 2.383 20 5 GEBDMO C[N@H+]1CCC[C@@H]1CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000584498659 652522982 /nfs/dbraw/zinc/52/29/82/652522982.db2.gz AMFQZOSZNMBHLQ-GFCCVEGCSA-N 1 1 375.210 2.383 20 5 GEBDMO COCCOCC[NH+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000593517265 652623572 /nfs/dbraw/zinc/62/35/72/652623572.db2.gz IKOBVLOTIACNNO-UHFFFAOYSA-N 1 1 388.262 2.142 20 5 GEBDMO O=[N+]([O-])c1cnc(N2CCC([N@H+]3CCCOCC3)CC2)c(Br)c1 ZINC000596269444 652757258 /nfs/dbraw/zinc/75/72/58/652757258.db2.gz UTQKAKVNTHHUAE-UHFFFAOYSA-N 1 1 385.262 2.443 20 5 GEBDMO C[C@@]1(C[NH+]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCCS1 ZINC000600106954 652904087 /nfs/dbraw/zinc/90/40/87/652904087.db2.gz OIIWUBOKLZNOOZ-INIZCTEOSA-N 1 1 385.511 2.187 20 5 GEBDMO C[C@]1(C[NH+]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCCS1 ZINC000600105926 652904114 /nfs/dbraw/zinc/90/41/14/652904114.db2.gz FIYOFTSKFKWJEC-MRXNPFEDSA-N 1 1 385.511 2.187 20 5 GEBDMO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])s1 ZINC000601343152 653087490 /nfs/dbraw/zinc/08/74/90/653087490.db2.gz KMDTWHUTFFRVSK-CYBMUJFWSA-N 1 1 385.442 2.439 20 5 GEBDMO CC[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C(=O)N1CCOCC1 ZINC000602563661 653191393 /nfs/dbraw/zinc/19/13/93/653191393.db2.gz FWLWHQRUIDFXAQ-NSHDSACASA-N 1 1 392.275 2.146 20 5 GEBDMO O=[N+]([O-])c1sc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1Br ZINC000602722141 653202248 /nfs/dbraw/zinc/20/22/48/653202248.db2.gz NIDLVZBTQCLGLR-LLVKDONJSA-N 1 1 390.303 2.450 20 5 GEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCO)Cc1ccc(Br)s1 ZINC000602827689 653208660 /nfs/dbraw/zinc/20/86/60/653208660.db2.gz MTFWVYRRVROIAG-UHFFFAOYSA-N 1 1 389.275 2.418 20 5 GEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CCO)Cc1ccc(Br)s1 ZINC000602827689 653208668 /nfs/dbraw/zinc/20/86/68/653208668.db2.gz MTFWVYRRVROIAG-UHFFFAOYSA-N 1 1 389.275 2.418 20 5 GEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)c1 ZINC000602885585 653212700 /nfs/dbraw/zinc/21/27/00/653212700.db2.gz GEXRHBVZYSGABF-CYBMUJFWSA-N 1 1 382.218 2.102 20 5 GEBDMO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000809842895 653308866 /nfs/dbraw/zinc/30/88/66/653308866.db2.gz IPMRLGBSCRDAQV-SNVBAGLBSA-N 1 1 379.841 2.492 20 5 GEBDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000809842895 653308872 /nfs/dbraw/zinc/30/88/72/653308872.db2.gz IPMRLGBSCRDAQV-SNVBAGLBSA-N 1 1 379.841 2.492 20 5 GEBDMO CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000809861303 653311339 /nfs/dbraw/zinc/31/13/39/653311339.db2.gz YOMRYCGFSAWYRR-JTQLQIEISA-N 1 1 394.291 2.364 20 5 GEBDMO C[N@H+]1C[C@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)[C@H]2C1 ZINC000813741035 653613674 /nfs/dbraw/zinc/61/36/74/653613674.db2.gz NFUMIOVIBCBWPG-PELKAZGASA-N 1 1 380.253 2.226 20 5 GEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815018635 653644150 /nfs/dbraw/zinc/64/41/50/653644150.db2.gz WDNLOPINAYLMCW-JOYOIKCWSA-N 1 1 379.841 2.348 20 5 GEBDMO C[N@H+]1CCC[C@@H](CCNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000841546307 653730876 /nfs/dbraw/zinc/73/08/76/653730876.db2.gz LPCGBEKXOXJWKV-JTQLQIEISA-N 1 1 379.841 2.398 20 5 GEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000896539987 653883567 /nfs/dbraw/zinc/88/35/67/653883567.db2.gz CMNOWQHCPSJZBV-IAQYHMDHSA-N 1 1 399.289 2.030 20 5 GEBDMO CO[C@]1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000896681520 653890508 /nfs/dbraw/zinc/89/05/08/653890508.db2.gz DUGVXOFRPSKVGQ-ZDUSSCGKSA-N 1 1 383.253 2.195 20 5 GEBDMO CN(CC(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000795563013 653958882 /nfs/dbraw/zinc/95/88/82/653958882.db2.gz MOHXREIXGSUTOH-LBPRGKRZSA-N 1 1 397.273 2.146 20 5 GEBDMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000885869607 653960946 /nfs/dbraw/zinc/96/09/46/653960946.db2.gz UKLHVMHYAMPAGM-CYBMUJFWSA-N 1 1 398.257 2.340 20 5 GEBDMO CC(C)[N@@H+](C)CCNS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795940984 653978694 /nfs/dbraw/zinc/97/86/94/653978694.db2.gz ZNZVEWMONFOSGC-UHFFFAOYSA-N 1 1 398.254 2.115 20 5 GEBDMO CN(CC(=O)N[C@@H]1CCC[N@@H+](C)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796186639 653990002 /nfs/dbraw/zinc/99/00/02/653990002.db2.gz OOIIUXBDPXKIND-GFCCVEGCSA-N 1 1 385.262 2.004 20 5 GEBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000798227872 654055676 /nfs/dbraw/zinc/05/56/76/654055676.db2.gz AADCZICHTIKSSJ-JTQLQIEISA-N 1 1 379.841 2.350 20 5 GEBDMO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000851821624 654183907 /nfs/dbraw/zinc/18/39/07/654183907.db2.gz WAOXHZFIRDHTGK-SNVBAGLBSA-N 1 1 392.275 2.120 20 5 GEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCC3)C2)c(C(F)(F)F)c1 ZINC000903209569 654227048 /nfs/dbraw/zinc/22/70/48/654227048.db2.gz DCEVDTKBMMERRP-LLVKDONJSA-N 1 1 379.360 2.082 20 5 GEBDMO C[N@@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000872666353 654387899 /nfs/dbraw/zinc/38/78/99/654387899.db2.gz YCYMFFFNJZVXBQ-NEPJUHHUSA-N 1 1 377.825 2.245 20 5 GEBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000872666353 654387902 /nfs/dbraw/zinc/38/79/02/654387902.db2.gz YCYMFFFNJZVXBQ-NEPJUHHUSA-N 1 1 377.825 2.245 20 5 GEBDMO COc1c(O)ccc(C[N@H+](C)CCn2cc(Br)cn2)c1[N+](=O)[O-] ZINC000894528463 654483181 /nfs/dbraw/zinc/48/31/81/654483181.db2.gz VIQRJYJZZUZPAP-UHFFFAOYSA-N 1 1 385.218 2.400 20 5 GEBDMO COc1c(O)ccc(C[N@@H+](C)CCn2cc(Br)cn2)c1[N+](=O)[O-] ZINC000894528463 654483184 /nfs/dbraw/zinc/48/31/84/654483184.db2.gz VIQRJYJZZUZPAP-UHFFFAOYSA-N 1 1 385.218 2.400 20 5 GEBDMO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)CC[N@H+]1C ZINC000928437250 654647138 /nfs/dbraw/zinc/64/71/38/654647138.db2.gz BTGCZAKJVNVIFM-PRHODGIISA-N 1 1 389.193 2.022 20 5 GEBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000933447141 654813962 /nfs/dbraw/zinc/81/39/62/654813962.db2.gz UWZIBQOPPCUEKY-MWLCHTKSSA-N 1 1 385.262 2.494 20 5 GEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC000933799031 654827654 /nfs/dbraw/zinc/82/76/54/654827654.db2.gz UZVPCKMHHMZHAH-JTQLQIEISA-N 1 1 385.262 2.353 20 5 GEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000934888971 654864666 /nfs/dbraw/zinc/86/46/66/654864666.db2.gz GMMNOXNHSHBIRR-GXFFZTMASA-N 1 1 397.273 2.496 20 5 GEBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C)cc(OC)c1[N+](=O)[O-])C2 ZINC001164809953 720106997 /nfs/dbraw/zinc/10/69/97/720106997.db2.gz IWLPDYMPBIOVFL-OXQOHEQNSA-N 1 1 390.484 2.492 20 5 GEBDMO Cc1cc([N+](=O)[O-])cnc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164811519 720211406 /nfs/dbraw/zinc/21/14/06/720211406.db2.gz JEXIODSVXXSTCG-UHFFFAOYSA-N 1 1 386.456 2.105 20 5 GEBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164727869 720409222 /nfs/dbraw/zinc/40/92/22/720409222.db2.gz SAICEVHMAWEEFH-MSOLQXFVSA-N 1 1 397.435 2.415 20 5 GEBDMO CCOC(=O)c1ccnc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164732254 720470371 /nfs/dbraw/zinc/47/03/71/720470371.db2.gz YVNIVLKYWMVVPY-DLBZAZTESA-N 1 1 397.435 2.415 20 5 GEBDMO O=[N+]([O-])c1ccc2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2c1 ZINC001164738874 720670388 /nfs/dbraw/zinc/67/03/88/720670388.db2.gz LESSYGGQGCKQQB-DLBZAZTESA-N 1 1 392.419 2.275 20 5 GEBDMO Cc1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1[N+](=O)[O-] ZINC001164746824 720818050 /nfs/dbraw/zinc/81/80/50/720818050.db2.gz ZHXCUUSSQHHVSJ-OKZBNKHCSA-N 1 1 397.483 2.269 20 5 GEBDMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)CC[C@@H]2C1 ZINC001164858214 720848145 /nfs/dbraw/zinc/84/81/45/720848145.db2.gz ZCJYOZCWNUORQJ-VQIMIIECSA-N 1 1 386.452 2.317 20 5 GEBDMO COCC[N@H+]1CCO[C@H]2CN(c3ccc4cccc([N+](=O)[O-])c4n3)CC[C@@H]2C1 ZINC001164851842 720852371 /nfs/dbraw/zinc/85/23/71/720852371.db2.gz IDQNWBWMSRFQIL-AEFFLSMTSA-N 1 1 386.452 2.317 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc(Cl)cc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164771585 721077374 /nfs/dbraw/zinc/07/73/74/721077374.db2.gz SCESOHNZPJJYLU-KGLIPLIRSA-N 1 1 376.848 2.335 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cnc5cc([N+](=O)[O-])ccc5n4)C[C@@H]3C2)cn1 ZINC001164762137 721091839 /nfs/dbraw/zinc/09/18/39/721091839.db2.gz COSVAUNALWTOQA-HOTGVXAUSA-N 1 1 393.451 2.230 20 5 GEBDMO CCOc1nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164865718 721118962 /nfs/dbraw/zinc/11/89/62/721118962.db2.gz OVKCYHINYKQQRU-DLBZAZTESA-N 1 1 399.451 2.263 20 5 GEBDMO COc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ccc1[N+](=O)[O-] ZINC001164805285 721538054 /nfs/dbraw/zinc/53/80/54/721538054.db2.gz LLRKNKCKCLECCM-HHXXYDBFSA-N 1 1 399.451 2.262 20 5 GEBDMO COc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ccc1[N+](=O)[O-] ZINC001164805285 721538058 /nfs/dbraw/zinc/53/80/58/721538058.db2.gz LLRKNKCKCLECCM-HHXXYDBFSA-N 1 1 399.451 2.262 20 5 GEBDMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001164932462 721856707 /nfs/dbraw/zinc/85/67/07/721856707.db2.gz XYFZVLHMZKODEH-CABCVRRESA-N 1 1 390.875 2.406 20 5 GEBDMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001164932462 721856709 /nfs/dbraw/zinc/85/67/09/721856709.db2.gz XYFZVLHMZKODEH-CABCVRRESA-N 1 1 390.875 2.406 20 5 GEBDMO O=[N+]([O-])c1ccc(-c2ccc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)nn2)cc1 ZINC001164966667 722075342 /nfs/dbraw/zinc/07/53/42/722075342.db2.gz FYLAEKYXXZTPOU-HDICACEKSA-N 1 1 381.436 2.351 20 5 GEBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121679493 532042355 /nfs/dbraw/zinc/04/23/55/532042355.db2.gz WHZLMYUEDFRWJL-UHFFFAOYSA-N 1 1 399.289 2.067 20 5 GEBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1sc(Br)cc1[N+](=O)[O-] ZINC000373113887 532433907 /nfs/dbraw/zinc/43/39/07/532433907.db2.gz WKAHFHHGYPANPF-RKDXNWHRSA-N 1 1 390.259 2.012 20 5 GEBDMO O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000282222713 532450084 /nfs/dbraw/zinc/45/00/84/532450084.db2.gz KJZJSEHDRHUQLE-GFCCVEGCSA-N 1 1 385.262 2.301 20 5 GEBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1Br ZINC000373788311 532470351 /nfs/dbraw/zinc/47/03/51/532470351.db2.gz SDRMHGXHLCEALM-VXGBXAGGSA-N 1 1 398.257 2.340 20 5 GEBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1Br ZINC000373788311 532470356 /nfs/dbraw/zinc/47/03/56/532470356.db2.gz SDRMHGXHLCEALM-VXGBXAGGSA-N 1 1 398.257 2.340 20 5 GEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000593559024 532488651 /nfs/dbraw/zinc/48/86/51/532488651.db2.gz VUNFEAHDEOSLCE-AWEZNQCLSA-N 1 1 384.845 2.224 20 5 GEBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000593559025 532488674 /nfs/dbraw/zinc/48/86/74/532488674.db2.gz VUNFEAHDEOSLCE-CQSZACIVSA-N 1 1 384.845 2.224 20 5 GEBDMO CSC1(C[NH+]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000519672432 532474853 /nfs/dbraw/zinc/47/48/53/532474853.db2.gz KRMMQOFLADQTHD-UHFFFAOYSA-N 1 1 385.511 2.187 20 5 GEBDMO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000432998590 532552281 /nfs/dbraw/zinc/55/22/81/532552281.db2.gz QTCZXQMYHAGNQM-ZYHUDNBSSA-N 1 1 397.229 2.238 20 5 GEBDMO Nc1ccc(N2CCN(c3c(Br)cccc3[N+](=O)[O-])CC2)c[nH+]1 ZINC000596097991 532586724 /nfs/dbraw/zinc/58/67/24/532586724.db2.gz MGXVKFACFHKVPF-UHFFFAOYSA-N 1 1 378.230 2.661 20 5 GEBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596174599 532589342 /nfs/dbraw/zinc/58/93/42/532589342.db2.gz JOZKNNWYLFMPTJ-CQSZACIVSA-N 1 1 397.273 2.276 20 5 GEBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000378290793 532689229 /nfs/dbraw/zinc/68/92/29/532689229.db2.gz YRUPCXFQMQXAQZ-NWDGAFQWSA-N 1 1 399.245 2.342 20 5 GEBDMO C[C@@H]1CC[N@H+](C)CCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000500039429 532731299 /nfs/dbraw/zinc/73/12/99/532731299.db2.gz QCRPWGBEZMNRAM-SNVBAGLBSA-N 1 1 392.275 2.072 20 5 GEBDMO C[C@@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000500039429 532731300 /nfs/dbraw/zinc/73/13/00/532731300.db2.gz QCRPWGBEZMNRAM-SNVBAGLBSA-N 1 1 392.275 2.072 20 5 GEBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000610905318 532719616 /nfs/dbraw/zinc/71/96/16/532719616.db2.gz LSYNMXBUVVTMEZ-ZDUSSCGKSA-N 1 1 386.246 2.198 20 5 GEBDMO COC(=O)CC[N@@H+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000301976169 532762521 /nfs/dbraw/zinc/76/25/21/532762521.db2.gz CGACHALUWQARCD-LLVKDONJSA-N 1 1 386.246 2.431 20 5 GEBDMO COC(=O)CC[N@H+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000301976169 532762525 /nfs/dbraw/zinc/76/25/25/532762525.db2.gz CGACHALUWQARCD-LLVKDONJSA-N 1 1 386.246 2.431 20 5 GEBDMO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000290700261 532887037 /nfs/dbraw/zinc/88/70/37/532887037.db2.gz IPIPRGGYTFMYSG-RNCFNFMXSA-N 1 1 377.825 2.102 20 5 GEBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000290700261 532887040 /nfs/dbraw/zinc/88/70/40/532887040.db2.gz IPIPRGGYTFMYSG-RNCFNFMXSA-N 1 1 377.825 2.102 20 5 GEBDMO NC(=O)[C@H]1CCC[N@@H+]1CCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290801758 532889990 /nfs/dbraw/zinc/88/99/90/532889990.db2.gz FHSPJSBJVOVLDB-CYBMUJFWSA-N 1 1 375.256 2.331 20 5 GEBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290801758 532889992 /nfs/dbraw/zinc/88/99/92/532889992.db2.gz FHSPJSBJVOVLDB-CYBMUJFWSA-N 1 1 375.256 2.331 20 5 GEBDMO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000290759392 532888811 /nfs/dbraw/zinc/88/88/11/532888811.db2.gz NJKBXFZCCOUAEK-VHSXEESVSA-N 1 1 379.841 2.491 20 5 GEBDMO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1Cl ZINC000421823670 532890829 /nfs/dbraw/zinc/89/08/29/532890829.db2.gz DQJKLSFNULMIJT-NSHDSACASA-N 1 1 384.845 2.272 20 5 GEBDMO CCOCCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000736617621 599063839 /nfs/dbraw/zinc/06/38/39/599063839.db2.gz ZIACQLIVPBHBKW-BBRMVZONSA-N 1 1 389.460 2.324 20 5 GEBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(F)cc3-c3nn[nH]n3)CC2)cc1 ZINC000738370027 598680092 /nfs/dbraw/zinc/68/00/92/598680092.db2.gz MTMYSPYDOLGINQ-UHFFFAOYSA-N 1 1 383.387 2.236 20 5 GEBDMO O=[N+]([O-])c1ccc2nc(N3CCC(c4[nH]cc[nH+]4)CC3)cc(-c3nn[nH]n3)c2c1 ZINC000823644210 599510324 /nfs/dbraw/zinc/51/03/24/599510324.db2.gz GWCGDEAPZLURSO-UHFFFAOYSA-N 1 1 391.395 2.430 20 5 GEBDMO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000826169920 608353399 /nfs/dbraw/zinc/35/33/99/608353399.db2.gz JTXKRZOSMFQTEN-UHFFFAOYSA-N 1 1 395.423 2.106 20 5 GEBDMO C[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[N@H+]1C ZINC000447028583 649994778 /nfs/dbraw/zinc/99/47/78/649994778.db2.gz OLTQDFHWIJXZGN-VHSXEESVSA-N 1 1 381.376 2.375 20 5 GEBDMO C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000456227348 650334789 /nfs/dbraw/zinc/33/47/89/650334789.db2.gz CNUKBAAGOQLMMU-TXEJJXNPSA-N 1 1 387.889 2.254 20 5 GEBDMO C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000456227348 650334794 /nfs/dbraw/zinc/33/47/94/650334794.db2.gz CNUKBAAGOQLMMU-TXEJJXNPSA-N 1 1 387.889 2.254 20 5 GEBDMO O=C(NCCC[NH+]1CCOCC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501092487 650387911 /nfs/dbraw/zinc/38/79/11/650387911.db2.gz GLRYAGZHWUFYET-UHFFFAOYSA-N 1 1 387.234 2.201 20 5 GEBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](O)[C@@H](CO)C3)o2)c(Br)c1 ZINC000459702135 650429911 /nfs/dbraw/zinc/42/99/11/650429911.db2.gz KZGQHUQKWCTWLR-BMIGLBTASA-N 1 1 397.225 2.402 20 5 GEBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000462484181 650481718 /nfs/dbraw/zinc/48/17/18/650481718.db2.gz JJXCNZVYKXWGFU-KOLCDFICSA-N 1 1 392.275 2.118 20 5 GEBDMO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000093531075 643077690 /nfs/dbraw/zinc/07/76/90/643077690.db2.gz CYMDMLVRRLNVHC-GFCCVEGCSA-N 1 1 381.479 2.447 20 5 GEBDMO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000093531075 643077697 /nfs/dbraw/zinc/07/76/97/643077697.db2.gz CYMDMLVRRLNVHC-GFCCVEGCSA-N 1 1 381.479 2.447 20 5 GEBDMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000109065162 643288702 /nfs/dbraw/zinc/28/87/02/643288702.db2.gz SMRAXWZGCPKIPZ-JTQLQIEISA-N 1 1 394.291 2.366 20 5 GEBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000125879768 643714864 /nfs/dbraw/zinc/71/48/64/643714864.db2.gz NPFHUZAQTKOFMO-LLVKDONJSA-N 1 1 386.246 2.198 20 5 GEBDMO C[C@@H]1C[NH+](C[C@H](O)COc2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000153851989 644008155 /nfs/dbraw/zinc/00/81/55/644008155.db2.gz YEKQDJDGXQKKNQ-WZRBSPASSA-N 1 1 389.246 2.206 20 5 GEBDMO CC(C)c1cnc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000183560316 644997736 /nfs/dbraw/zinc/99/77/36/644997736.db2.gz KXSCAQVDZALFAO-UHFFFAOYSA-N 1 1 384.483 2.243 20 5 GEBDMO COCC[N@@H+](C)CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267940608 645937285 /nfs/dbraw/zinc/93/72/85/645937285.db2.gz RQBRVIKWFRNWPM-UHFFFAOYSA-N 1 1 392.225 2.195 20 5 GEBDMO CC[NH+]1CCN(C[C@@H](C)CNc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000277153434 646383520 /nfs/dbraw/zinc/38/35/20/646383520.db2.gz RQUSCUGASIGPSS-LBPRGKRZSA-N 1 1 386.294 2.438 20 5 GEBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]2[C@H]3CCCC[N@@H+]3C[C@H]2C1 ZINC000363258316 647589075 /nfs/dbraw/zinc/58/90/75/647589075.db2.gz FOOLMHVTUAQNFT-FPMFFAJLSA-N 1 1 385.873 2.353 20 5 GEBDMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000440831530 648815044 /nfs/dbraw/zinc/81/50/44/648815044.db2.gz IITWUVFZQVIBQO-LLVKDONJSA-N 1 1 381.376 2.376 20 5 GEBDMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000440851303 648816852 /nfs/dbraw/zinc/81/68/52/648816852.db2.gz FMMRYCDRVOJJOK-LLVKDONJSA-N 1 1 392.275 2.120 20 5 GEBDMO CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000571247683 651820248 /nfs/dbraw/zinc/82/02/48/651820248.db2.gz YUFCONQBLMKVNE-JTQLQIEISA-N 1 1 394.291 2.364 20 5 GEBDMO CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000589236417 652563277 /nfs/dbraw/zinc/56/32/77/652563277.db2.gz DDLWVRUUWOECGS-JTQLQIEISA-N 1 1 394.291 2.364 20 5 GEBDMO [NH3+][C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1Br ZINC000595955336 652743612 /nfs/dbraw/zinc/74/36/12/652743612.db2.gz XIMAKHPKOWBZKG-HNNXBMFYSA-N 1 1 391.225 2.337 20 5 GEBDMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC([NH+]2CCOCC2)CC1 ZINC000600105174 652904169 /nfs/dbraw/zinc/90/41/69/652904169.db2.gz INLGNRQWBRYESZ-UHFFFAOYSA-N 1 1 398.257 2.294 20 5 GEBDMO O=[N+]([O-])c1nn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1Br ZINC000601959154 653133261 /nfs/dbraw/zinc/13/32/61/653133261.db2.gz OWTFKWPLBIEOBF-HNNXBMFYSA-N 1 1 381.230 2.191 20 5 GEBDMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768890191 653136193 /nfs/dbraw/zinc/13/61/93/653136193.db2.gz HYLKMZDPBAFTIT-SWLSCSKDSA-N 1 1 381.479 2.455 20 5 GEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768890191 653136199 /nfs/dbraw/zinc/13/61/99/653136199.db2.gz HYLKMZDPBAFTIT-SWLSCSKDSA-N 1 1 381.479 2.455 20 5 GEBDMO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602610563 653194239 /nfs/dbraw/zinc/19/42/39/653194239.db2.gz BJJKATQUMMACST-LBPRGKRZSA-N 1 1 381.248 2.477 20 5 GEBDMO O=[N+]([O-])c1sc(CNC[C@H]2CCC[N@@H+]2CCCO)cc1Br ZINC000602673205 653199644 /nfs/dbraw/zinc/19/96/44/653199644.db2.gz JGZVUALVDQSNOS-SNVBAGLBSA-N 1 1 378.292 2.355 20 5 GEBDMO C[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CS1(=O)=O ZINC000602711572 653201828 /nfs/dbraw/zinc/20/18/28/653201828.db2.gz QSJKNUAOJMNNCI-SFYZADRCSA-N 1 1 383.289 2.474 20 5 GEBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000814990251 653642161 /nfs/dbraw/zinc/64/21/61/653642161.db2.gz JIMCIGVIEUNOFG-NWDGAFQWSA-N 1 1 377.825 2.292 20 5 GEBDMO C[N@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)C2)C1 ZINC000815064889 653649258 /nfs/dbraw/zinc/64/92/58/653649258.db2.gz KKHVPEPMAALACR-OAHLLOKOSA-N 1 1 391.852 2.494 20 5 GEBDMO C[N@@H+](Cc1cscc1Br)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000880359385 653704758 /nfs/dbraw/zinc/70/47/58/653704758.db2.gz JMXWNSKTSAHIDY-NSHDSACASA-N 1 1 375.248 2.108 20 5 GEBDMO C[N@H+](Cc1cscc1Br)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000880359385 653704759 /nfs/dbraw/zinc/70/47/59/653704759.db2.gz JMXWNSKTSAHIDY-NSHDSACASA-N 1 1 375.248 2.108 20 5 GEBDMO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[C@@H]1[NH+]1CCCC1 ZINC000786797354 653728197 /nfs/dbraw/zinc/72/81/97/653728197.db2.gz QHHPVWWPMONRHM-GJZGRUSLSA-N 1 1 385.511 2.014 20 5 GEBDMO C[C@@H]1CN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000818626300 653734802 /nfs/dbraw/zinc/73/48/02/653734802.db2.gz UBSJDWYUXQBIJO-TXEJJXNPSA-N 1 1 399.289 2.345 20 5 GEBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)C2)C1 ZINC000820609668 653777721 /nfs/dbraw/zinc/77/77/21/653777721.db2.gz RRKHRNSYLYSBDE-INIZCTEOSA-N 1 1 397.273 2.497 20 5 GEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000882485034 653784451 /nfs/dbraw/zinc/78/44/51/653784451.db2.gz FBMDHXBVLQIMEF-SNVBAGLBSA-N 1 1 389.193 2.023 20 5 GEBDMO C[C@H]1CN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000820874668 653785623 /nfs/dbraw/zinc/78/56/23/653785623.db2.gz ROJMVDCOUSJTTG-SNVBAGLBSA-N 1 1 397.273 2.496 20 5 GEBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000885869609 653960864 /nfs/dbraw/zinc/96/08/64/653960864.db2.gz UKLHVMHYAMPAGM-ZDUSSCGKSA-N 1 1 398.257 2.340 20 5 GEBDMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000885876777 653961254 /nfs/dbraw/zinc/96/12/54/653961254.db2.gz YDSGFUDGOCEXFK-CQSZACIVSA-N 1 1 398.257 2.340 20 5 GEBDMO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795829080 653968814 /nfs/dbraw/zinc/96/88/14/653968814.db2.gz KITUGDLSRSEPFV-JTQLQIEISA-N 1 1 377.825 2.245 20 5 GEBDMO CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795829080 653968823 /nfs/dbraw/zinc/96/88/23/653968823.db2.gz KITUGDLSRSEPFV-JTQLQIEISA-N 1 1 377.825 2.245 20 5 GEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795887477 653974985 /nfs/dbraw/zinc/97/49/85/653974985.db2.gz AMUVKGCGWBCIJV-GXFFZTMASA-N 1 1 391.852 2.492 20 5 GEBDMO C[N@H+]1C[C@@H]2CN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887924799 654058751 /nfs/dbraw/zinc/05/87/51/654058751.db2.gz ZWHRSEBFRDCGCP-WBMJQRKESA-N 1 1 382.258 2.310 20 5 GEBDMO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000872781647 654395151 /nfs/dbraw/zinc/39/51/51/654395151.db2.gz WNKLXIXFOVUIQJ-NWDGAFQWSA-N 1 1 375.397 2.264 20 5 GEBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000872781647 654395154 /nfs/dbraw/zinc/39/51/54/654395154.db2.gz WNKLXIXFOVUIQJ-NWDGAFQWSA-N 1 1 375.397 2.264 20 5 GEBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1cc([N+](=O)[O-])ccc1Br ZINC000906442269 654437741 /nfs/dbraw/zinc/43/77/41/654437741.db2.gz YRAZJKDUFFZNDL-ZDUSSCGKSA-N 1 1 398.257 2.340 20 5 GEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000932907428 654794219 /nfs/dbraw/zinc/79/42/19/654794219.db2.gz DRWCIPGLDLEPFS-SNVBAGLBSA-N 1 1 385.262 2.353 20 5 GEBDMO O=[N+]([O-])c1cccc(Br)c1CN1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934275304 654842706 /nfs/dbraw/zinc/84/27/06/654842706.db2.gz OIYNRVXTQFNLRT-JKSUJKDBSA-N 1 1 384.274 2.388 20 5 GEBDMO O=[N+]([O-])c1cccc(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1Br ZINC000934276649 654842717 /nfs/dbraw/zinc/84/27/17/654842717.db2.gz ZGCGIQYCRSAUIU-ZIAGYGMSSA-N 1 1 384.274 2.388 20 5 GEBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000935779540 654916135 /nfs/dbraw/zinc/91/61/35/654916135.db2.gz ZQJNBCRBCGJJSH-LLVKDONJSA-N 1 1 385.262 2.496 20 5 GEBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1nccc3cc([N+](=O)[O-])ccc31)CC2 ZINC001164689819 719755160 /nfs/dbraw/zinc/75/51/60/719755160.db2.gz KFAJTGCHYCLOJQ-UHFFFAOYSA-N 1 1 383.452 2.324 20 5 GEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164729499 720483078 /nfs/dbraw/zinc/48/30/78/720483078.db2.gz RFCALSNDDOCCBN-JKSUJKDBSA-N 1 1 383.408 2.025 20 5 GEBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c2ccccc21 ZINC001164744343 720683016 /nfs/dbraw/zinc/68/30/16/720683016.db2.gz ZKUVMXKMKJJKFK-CABCVRRESA-N 1 1 392.419 2.275 20 5 GEBDMO O=[N+]([O-])c1cccc2nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)ccc21 ZINC001164736701 720689291 /nfs/dbraw/zinc/68/92/91/720689291.db2.gz AMZKWIUGPZGYTK-CABCVRRESA-N 1 1 392.419 2.275 20 5 GEBDMO COCC[N@H+]1CCO[C@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164861745 720865475 /nfs/dbraw/zinc/86/54/75/720865475.db2.gz YNHCOKFEKVDWAG-APWZRJJASA-N 1 1 386.452 2.317 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nccc(Cl)c4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164765853 721077928 /nfs/dbraw/zinc/07/79/28/721077928.db2.gz JXVNMJLKURPJJB-ZIAGYGMSSA-N 1 1 376.848 2.335 20 5 GEBDMO Cc1c(C)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164864087 721098479 /nfs/dbraw/zinc/09/84/79/721098479.db2.gz DZLGFSDOCCKTIE-ZWKOTPCHSA-N 1 1 383.452 2.481 20 5 GEBDMO O=[N+]([O-])c1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc2[nH]ccc21 ZINC001164867697 721115562 /nfs/dbraw/zinc/11/55/62/721115562.db2.gz ZPIHOCATUASVIL-HOTGVXAUSA-N 1 1 394.435 2.346 20 5 GEBDMO Cc1nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ccc1[N+](=O)[O-] ZINC001164894036 721383458 /nfs/dbraw/zinc/38/34/58/721383458.db2.gz WJJRSKLYXWRBPP-XLIONFOSSA-N 1 1 389.500 2.064 20 5 GEBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164906378 721543233 /nfs/dbraw/zinc/54/32/33/721543233.db2.gz KHIUHQDZXBOJAX-NVXWUHKLSA-N 1 1 388.399 2.018 20 5 GEBDMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164930716 721856784 /nfs/dbraw/zinc/85/67/84/721856784.db2.gz SIQJJERMYSIOOU-CVEARBPZSA-N 1 1 390.875 2.406 20 5 GEBDMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164930716 721856786 /nfs/dbraw/zinc/85/67/86/721856786.db2.gz SIQJJERMYSIOOU-CVEARBPZSA-N 1 1 390.875 2.406 20 5 GEBDMO Cc1ncc([N+](=O)[O-])c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164963222 722055264 /nfs/dbraw/zinc/05/52/64/722055264.db2.gz IWINWRDWFHFPDH-UHFFFAOYSA-N 1 1 398.467 2.207 20 5 GEBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000184293114 532331708 /nfs/dbraw/zinc/33/17/08/532331708.db2.gz WYIVOFPBZVQMDD-LBPRGKRZSA-N 1 1 399.289 2.113 20 5 GEBDMO C[C@H]1C[N@@H+](CCCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000277995425 532368815 /nfs/dbraw/zinc/36/88/15/532368815.db2.gz UVQGPZNPACRSQR-LBPRGKRZSA-N 1 1 391.877 2.027 20 5 GEBDMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000372766495 532408052 /nfs/dbraw/zinc/40/80/52/532408052.db2.gz MJEZVHNUSVDUGY-HUUCEWRRSA-N 1 1 398.257 2.029 20 5 GEBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)C[C@@H]21 ZINC000375710749 532577586 /nfs/dbraw/zinc/57/75/86/532577586.db2.gz MWAIPPXZVIYTIA-SKDRFNHKSA-N 1 1 377.825 2.102 20 5 GEBDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597695119 532623949 /nfs/dbraw/zinc/62/39/49/532623949.db2.gz QKZNCBUOIOFMKN-CABCVRRESA-N 1 1 398.257 2.293 20 5 GEBDMO Cc1c(Br)cc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000378256823 532686777 /nfs/dbraw/zinc/68/67/77/532686777.db2.gz ZOMZTBDCUVFYQH-QWHCGFSZSA-N 1 1 398.257 2.259 20 5 GEBDMO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC[N@H+]1C ZINC000286190997 532733154 /nfs/dbraw/zinc/73/31/54/532733154.db2.gz ZVJUDKTZEZJPBJ-NXEZZACHSA-N 1 1 379.841 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653133153 /nfs/dbraw/zinc/13/31/53/653133153.db2.gz OWTFKWPLBIEOBF-OAHLLOKOSA-N 1 1 381.230 2.191 20 5 GEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CC(Cc3ccccc3Br)C2)c1 ZINC000601962997 653133838 /nfs/dbraw/zinc/13/38/38/653133838.db2.gz IXQDXOWFPMRHTO-HNNXBMFYSA-N 1 1 395.257 2.089 20 5 GEBDMO O=[N+]([O-])c1nn(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Br ZINC000772828562 653168114 /nfs/dbraw/zinc/16/81/14/653168114.db2.gz MPRAMDWEXVEVRB-SMDDNHRTSA-N 1 1 384.278 2.460 20 5 GEBDMO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000602650977 653197636 /nfs/dbraw/zinc/19/76/36/653197636.db2.gz UHGGWUYKQAIEND-VHSXEESVSA-N 1 1 378.292 2.306 20 5 GEBDMO C[C@@H](O)C[N@H+]1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000602650977 653197644 /nfs/dbraw/zinc/19/76/44/653197644.db2.gz UHGGWUYKQAIEND-VHSXEESVSA-N 1 1 378.292 2.306 20 5 GEBDMO C[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1(S(C)(=O)=O)CC1 ZINC000602660401 653198816 /nfs/dbraw/zinc/19/88/16/653198816.db2.gz BZSQBJUSCASGLD-ZETCQYMHSA-N 1 1 383.289 2.474 20 5 GEBDMO C[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000836868874 653384578 /nfs/dbraw/zinc/38/45/78/653384578.db2.gz OLXFCWJCYAEQJV-AOOOYVTPSA-N 1 1 376.240 2.429 20 5 GEBDMO C[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000836868874 653384582 /nfs/dbraw/zinc/38/45/82/653384582.db2.gz OLXFCWJCYAEQJV-AOOOYVTPSA-N 1 1 376.240 2.429 20 5 GEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@@H]2C1 ZINC000812338810 653423350 /nfs/dbraw/zinc/42/33/50/653423350.db2.gz QTLVEGQDWRFFMF-OLZOCXBDSA-N 1 1 382.258 2.310 20 5 GEBDMO CC1(C)CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000813530886 653516134 /nfs/dbraw/zinc/51/61/34/653516134.db2.gz TYYWGJHDGLCWSC-UHFFFAOYSA-N 1 1 376.240 2.430 20 5 GEBDMO CC1(C)CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@H+]1CCO ZINC000813530886 653516415 /nfs/dbraw/zinc/51/64/15/653516415.db2.gz TYYWGJHDGLCWSC-UHFFFAOYSA-N 1 1 376.240 2.430 20 5 GEBDMO C[N@H+]1C[C@@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)[C@@H]2C1 ZINC000813741037 653613827 /nfs/dbraw/zinc/61/38/27/653613827.db2.gz NFUMIOVIBCBWPG-QPUJVOFHSA-N 1 1 380.253 2.226 20 5 GEBDMO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815040808 653647430 /nfs/dbraw/zinc/64/74/30/653647430.db2.gz CSEXAGGEDAZOEH-JTQLQIEISA-N 1 1 379.841 2.492 20 5 GEBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815040808 653647432 /nfs/dbraw/zinc/64/74/32/653647432.db2.gz CSEXAGGEDAZOEH-JTQLQIEISA-N 1 1 379.841 2.492 20 5 GEBDMO COC(=O)[C@]12C[N@@H+](Cc3cccc([N+](=O)[O-])c3Br)C[C@H]1COCC2 ZINC000839587378 653656416 /nfs/dbraw/zinc/65/64/16/653656416.db2.gz BMFICGIEPHYYNQ-BLLLJJGKSA-N 1 1 399.241 2.369 20 5 GEBDMO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@]1(C)CC1(Cl)Cl ZINC000817287629 653707442 /nfs/dbraw/zinc/70/74/42/653707442.db2.gz DWVKADZVUIGGLE-ZDUSSCGKSA-N 1 1 396.296 2.389 20 5 GEBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@]1(C)CC1(Cl)Cl ZINC000817287629 653707443 /nfs/dbraw/zinc/70/74/43/653707443.db2.gz DWVKADZVUIGGLE-ZDUSSCGKSA-N 1 1 396.296 2.389 20 5 GEBDMO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@]1(C)CC1(Cl)Cl ZINC000817287624 653707461 /nfs/dbraw/zinc/70/74/61/653707461.db2.gz DWVKADZVUIGGLE-CYBMUJFWSA-N 1 1 396.296 2.389 20 5 GEBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@]1(C)CC1(Cl)Cl ZINC000817287624 653707463 /nfs/dbraw/zinc/70/74/63/653707463.db2.gz DWVKADZVUIGGLE-CYBMUJFWSA-N 1 1 396.296 2.389 20 5 GEBDMO CNC(=O)C[NH+]1CCC(Nc2cc(F)cc(Br)c2[N+](=O)[O-])CC1 ZINC000881798784 653740241 /nfs/dbraw/zinc/74/02/41/653740241.db2.gz LSDUJVSHQPNGSB-UHFFFAOYSA-N 1 1 389.225 2.119 20 5 GEBDMO [NH3+]CC(F)(F)CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841971206 653742954 /nfs/dbraw/zinc/74/29/54/653742954.db2.gz GHZGYMXRHYTHRE-UHFFFAOYSA-N 1 1 393.188 2.019 20 5 GEBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC000822150553 653819675 /nfs/dbraw/zinc/81/96/75/653819675.db2.gz GZZBTADMERGKHB-NSHDSACASA-N 1 1 385.262 2.494 20 5 GEBDMO CC[N@H+]1CCCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000822569608 653831779 /nfs/dbraw/zinc/83/17/79/653831779.db2.gz UVZRRYNQLNFLRV-JTQLQIEISA-N 1 1 385.262 2.496 20 5 GEBDMO COC(=O)[C@]12C[N@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C[C@H]1COCC2 ZINC000793346738 653875863 /nfs/dbraw/zinc/87/58/63/653875863.db2.gz JQRUJCISTCXPTA-BLLLJJGKSA-N 1 1 399.241 2.369 20 5 GEBDMO COC(=O)[C@]12C[N@@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C[C@H]1COCC2 ZINC000793346738 653875867 /nfs/dbraw/zinc/87/58/67/653875867.db2.gz JQRUJCISTCXPTA-BLLLJJGKSA-N 1 1 399.241 2.369 20 5 GEBDMO C[C@@H](NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)[C@@H]1C[N@H+](C)CCO1 ZINC000897077337 653906428 /nfs/dbraw/zinc/90/64/28/653906428.db2.gz KCJDAYAMHFCQHP-XCBNKYQSSA-N 1 1 380.203 2.490 20 5 GEBDMO C[C@@H](NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)[C@@H]1C[N@@H+](C)CCO1 ZINC000897077337 653906432 /nfs/dbraw/zinc/90/64/32/653906432.db2.gz KCJDAYAMHFCQHP-XCBNKYQSSA-N 1 1 380.203 2.490 20 5 GEBDMO Cc1[nH+]ccn1CCNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000795867382 653973118 /nfs/dbraw/zinc/97/31/18/653973118.db2.gz LXWLSIPGFYRYSK-UHFFFAOYSA-N 1 1 396.245 2.115 20 5 GEBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000867810116 653990990 /nfs/dbraw/zinc/99/09/90/653990990.db2.gz XDBDAFCRTIGOMO-SKDRFNHKSA-N 1 1 377.825 2.102 20 5 GEBDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000828122469 654025075 /nfs/dbraw/zinc/02/50/75/654025075.db2.gz NADLNXLVCGMTGX-HIFRSBDPSA-N 1 1 381.479 2.280 20 5 GEBDMO CN1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000888986400 654118318 /nfs/dbraw/zinc/11/83/18/654118318.db2.gz FDPWKOFDCFTMDO-UHFFFAOYSA-N 1 1 386.905 2.046 20 5 GEBDMO CN1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000888986400 654118326 /nfs/dbraw/zinc/11/83/26/654118326.db2.gz FDPWKOFDCFTMDO-UHFFFAOYSA-N 1 1 386.905 2.046 20 5 GEBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000869778564 654122534 /nfs/dbraw/zinc/12/25/34/654122534.db2.gz DMZGAENDUWQGGA-LBPRGKRZSA-N 1 1 387.889 2.302 20 5 GEBDMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889767607 654170469 /nfs/dbraw/zinc/17/04/69/654170469.db2.gz IDIOFLUYUMKGOW-ZIAGYGMSSA-N 1 1 398.257 2.029 20 5 GEBDMO O=C1CC2(CCOCC2)[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CCN1 ZINC000872285322 654321207 /nfs/dbraw/zinc/32/12/07/654321207.db2.gz YAHQXJFNLXIOJH-UHFFFAOYSA-N 1 1 398.257 2.228 20 5 GEBDMO O=C1CC2(CCOCC2)[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CCN1 ZINC000872285322 654321211 /nfs/dbraw/zinc/32/12/11/654321211.db2.gz YAHQXJFNLXIOJH-UHFFFAOYSA-N 1 1 398.257 2.228 20 5 GEBDMO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000872666357 654387967 /nfs/dbraw/zinc/38/79/67/654387967.db2.gz YCYMFFFNJZVXBQ-RYUDHWBXSA-N 1 1 377.825 2.245 20 5 GEBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000872666357 654387970 /nfs/dbraw/zinc/38/79/70/654387970.db2.gz YCYMFFFNJZVXBQ-RYUDHWBXSA-N 1 1 377.825 2.245 20 5 GEBDMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000907554170 654557355 /nfs/dbraw/zinc/55/73/55/654557355.db2.gz LDVNEUNFUJNXKY-OTYXRUKQSA-N 1 1 394.280 2.474 20 5 GEBDMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C[C@]2(C)C1 ZINC000907565400 654558531 /nfs/dbraw/zinc/55/85/31/654558531.db2.gz UMBCOZCMTQGYJP-OTYXRUKQSA-N 1 1 394.280 2.474 20 5 GEBDMO CC[N@@H+](CCC(=O)NC)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000933862721 654828641 /nfs/dbraw/zinc/82/86/41/654828641.db2.gz MWJIEKLIUZIRQR-UHFFFAOYSA-N 1 1 391.209 2.157 20 5 GEBDMO O=[N+]([O-])c1cc(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000934266657 654841616 /nfs/dbraw/zinc/84/16/16/654841616.db2.gz UDGYPRGCQBCKEC-HUUCEWRRSA-N 1 1 384.274 2.388 20 5 GEBDMO Cc1ccnc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1[N+](=O)[O-] ZINC001164811720 720215722 /nfs/dbraw/zinc/21/57/22/720215722.db2.gz JVQNAYVVIYENFF-UHFFFAOYSA-N 1 1 386.456 2.105 20 5 GEBDMO COC(=O)c1cnc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001164723578 720360660 /nfs/dbraw/zinc/36/06/60/720360660.db2.gz IAACNQMAYGTLCE-HOTGVXAUSA-N 1 1 383.408 2.025 20 5 GEBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c2ccccc21 ZINC001164744347 720682366 /nfs/dbraw/zinc/68/23/66/720682366.db2.gz ZKUVMXKMKJJKFK-LSDHHAIUSA-N 1 1 392.419 2.275 20 5 GEBDMO COCC[N@H+]1CCO[C@H]2CN(c3ccc4cccc([N+](=O)[O-])c4n3)CC[C@H]2C1 ZINC001164851845 720852243 /nfs/dbraw/zinc/85/22/43/720852243.db2.gz IDQNWBWMSRFQIL-WMZOPIPTSA-N 1 1 386.452 2.317 20 5 GEBDMO COc1ncnc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c1[N+](=O)[O-] ZINC001164862980 720960327 /nfs/dbraw/zinc/96/03/27/720960327.db2.gz XNHJTBGLQIGLDW-LBPRGKRZSA-N 1 1 375.433 2.011 20 5 GEBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164894116 721383225 /nfs/dbraw/zinc/38/32/25/721383225.db2.gz XTCAJQJVQUHZDS-QUCCMNQESA-N 1 1 389.500 2.064 20 5 GEBDMO Cc1ccnc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1[N+](=O)[O-] ZINC001164892254 721393766 /nfs/dbraw/zinc/39/37/66/721393766.db2.gz SKEVJBARBNKJDW-PXNSSMCTSA-N 1 1 389.500 2.064 20 5 GEBDMO CCOc1nc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164784852 721420181 /nfs/dbraw/zinc/42/01/81/721420181.db2.gz LRWNQHBJJCGCSQ-BETUJISGSA-N 1 1 375.454 2.413 20 5 GEBDMO CCOc1nc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164784852 721420183 /nfs/dbraw/zinc/42/01/83/721420183.db2.gz LRWNQHBJJCGCSQ-BETUJISGSA-N 1 1 375.454 2.413 20 5 GEBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)[C@@H]2CCCO[C@@H]12 ZINC001164803769 721545632 /nfs/dbraw/zinc/54/56/32/721545632.db2.gz IZILCCJGSJUOSA-KZNAEPCWSA-N 1 1 387.415 2.392 20 5 GEBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)[C@@H]2CCCO[C@@H]12 ZINC001164803769 721545633 /nfs/dbraw/zinc/54/56/33/721545633.db2.gz IZILCCJGSJUOSA-KZNAEPCWSA-N 1 1 387.415 2.392 20 5 GEBDMO COc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ncc1[N+](=O)[O-] ZINC001164801559 721547323 /nfs/dbraw/zinc/54/73/23/721547323.db2.gz FPYMCEUMBACESQ-RIFZZMRRSA-N 1 1 399.451 2.262 20 5 GEBDMO COc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ncc1[N+](=O)[O-] ZINC001164801559 721547326 /nfs/dbraw/zinc/54/73/26/721547326.db2.gz FPYMCEUMBACESQ-RIFZZMRRSA-N 1 1 399.451 2.262 20 5 GEBDMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001164934370 721877436 /nfs/dbraw/zinc/87/74/36/721877436.db2.gz QVBGUXCPQHQVKE-OALUTQOASA-N 1 1 382.468 2.266 20 5 GEBDMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001164934370 721877437 /nfs/dbraw/zinc/87/74/37/721877437.db2.gz QVBGUXCPQHQVKE-OALUTQOASA-N 1 1 382.468 2.266 20 5 GEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000030431833 531636295 /nfs/dbraw/zinc/63/62/95/531636295.db2.gz YPEKCPCMLLYYMX-UHFFFAOYSA-N 1 1 385.511 2.235 20 5 GEBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000052782019 531750394 /nfs/dbraw/zinc/75/03/94/531750394.db2.gz XXFHYROYIIMMDV-LBPRGKRZSA-N 1 1 385.467 2.246 20 5 GEBDMO COCC[N@@H+]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000121585588 532035276 /nfs/dbraw/zinc/03/52/76/532035276.db2.gz DLXRQJTVXFNWAM-LLVKDONJSA-N 1 1 386.246 2.150 20 5 GEBDMO COCC[N@H+]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000121585588 532035282 /nfs/dbraw/zinc/03/52/82/532035282.db2.gz DLXRQJTVXFNWAM-LLVKDONJSA-N 1 1 386.246 2.150 20 5 GEBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000122192136 532060922 /nfs/dbraw/zinc/06/09/22/532060922.db2.gz DNQSOADXPDHNBX-UHFFFAOYSA-N 1 1 385.467 2.123 20 5 GEBDMO CN1CC[NH+](CCCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000181800516 532306813 /nfs/dbraw/zinc/30/68/13/532306813.db2.gz WPFVGMHXMXAZEI-UHFFFAOYSA-N 1 1 386.905 2.094 20 5 GEBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000184390705 532332726 /nfs/dbraw/zinc/33/27/26/532332726.db2.gz QRNXNNHPFMUANR-LBPRGKRZSA-N 1 1 399.289 2.113 20 5 GEBDMO C[C@H]1C[N@@H+](CCCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000432337332 532535638 /nfs/dbraw/zinc/53/56/38/532535638.db2.gz BAUSFPADUFRDOG-LBPRGKRZSA-N 1 1 391.877 2.027 20 5 GEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000375048770 532529762 /nfs/dbraw/zinc/52/97/62/532529762.db2.gz ZSEDUOARTYXKTK-DGCLKSJQSA-N 1 1 398.257 2.259 20 5 GEBDMO C[N@@H+]1CC[C@@H]2CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])C[C@H]21 ZINC000375041591 532530401 /nfs/dbraw/zinc/53/04/01/532530401.db2.gz RFUCGPFQSNDEJB-QMTHXVAHSA-N 1 1 375.397 2.122 20 5 GEBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])C[C@H]21 ZINC000375041591 532530407 /nfs/dbraw/zinc/53/04/07/532530407.db2.gz RFUCGPFQSNDEJB-QMTHXVAHSA-N 1 1 375.397 2.122 20 5 GEBDMO O=C(CN1CC[N@H+]2CCCC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000248371237 532552068 /nfs/dbraw/zinc/55/20/68/532552068.db2.gz YLAPODWJUZGKAC-ZDUSSCGKSA-N 1 1 397.273 2.466 20 5 GEBDMO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000595353749 532560022 /nfs/dbraw/zinc/56/00/22/532560022.db2.gz KBGHYBVMDGMYQJ-LLVKDONJSA-N 1 1 392.275 2.120 20 5 GEBDMO O=[N+]([O-])c1cncc(Br)c1N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000596515297 532597430 /nfs/dbraw/zinc/59/74/30/532597430.db2.gz UNZATGPSDVKVCW-ZIAGYGMSSA-N 1 1 397.273 2.230 20 5 GEBDMO CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc(Br)c([N+](=O)[O-])c2)[N@@H+](C)C1 ZINC000284594875 532604562 /nfs/dbraw/zinc/60/45/62/532604562.db2.gz JFSRMRDHLYYBEA-RYUDHWBXSA-N 1 1 386.246 2.148 20 5 GEBDMO Cc1c(Br)cc(C(=O)N2CC(C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000597682805 532624962 /nfs/dbraw/zinc/62/49/62/532624962.db2.gz UUVQBFMNFWSBOQ-UHFFFAOYSA-N 1 1 398.257 2.070 20 5 GEBDMO O=c1c(Br)cn(Cc2[nH+]ccn2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000477422608 532652947 /nfs/dbraw/zinc/65/29/47/532652947.db2.gz MZWYSMQFKMNLRY-UHFFFAOYSA-N 1 1 381.108 2.326 20 5 GEBDMO C[C@@H]1COCC[N@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000603402087 532694447 /nfs/dbraw/zinc/69/44/47/532694447.db2.gz MFPICBZJLSMADP-LLVKDONJSA-N 1 1 385.262 2.442 20 5 GEBDMO CN(C[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1)S(C)(=O)=O ZINC000285618140 532694880 /nfs/dbraw/zinc/69/48/80/532694880.db2.gz NCWQCBUNYBPEEI-CYBMUJFWSA-N 1 1 375.878 2.352 20 5 GEBDMO CN(C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1)S(C)(=O)=O ZINC000285618140 532694886 /nfs/dbraw/zinc/69/48/86/532694886.db2.gz NCWQCBUNYBPEEI-CYBMUJFWSA-N 1 1 375.878 2.352 20 5 GEBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000378290791 532689618 /nfs/dbraw/zinc/68/96/18/532689618.db2.gz YRUPCXFQMQXAQZ-NEPJUHHUSA-N 1 1 399.245 2.342 20 5 GEBDMO C[C@@H]1CC[N@H+](C)CCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000500040079 532731710 /nfs/dbraw/zinc/73/17/10/532731710.db2.gz RBGZBJKKKWXOTG-SNVBAGLBSA-N 1 1 392.275 2.072 20 5 GEBDMO C[C@@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000500040079 532731718 /nfs/dbraw/zinc/73/17/18/532731718.db2.gz RBGZBJKKKWXOTG-SNVBAGLBSA-N 1 1 392.275 2.072 20 5 GEBDMO O=[N+]([O-])c1cnc(N2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)c(Br)c1 ZINC000301560296 532755285 /nfs/dbraw/zinc/75/52/85/532755285.db2.gz KDILMMHOXQMRGD-VXGBXAGGSA-N 1 1 385.262 2.178 20 5 GEBDMO C[C@@H]1C[N@H+](C2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)CCO1 ZINC000301629780 532756598 /nfs/dbraw/zinc/75/65/98/532756598.db2.gz AZXPFMUTLVSXJE-LLVKDONJSA-N 1 1 385.262 2.442 20 5 GEBDMO O=[N+]([O-])c1cncc(Br)c1N1CCC[N@H+](C2CCOCC2)CC1 ZINC000301873202 532761194 /nfs/dbraw/zinc/76/11/94/532761194.db2.gz HVBKQPCFPRDGKH-UHFFFAOYSA-N 1 1 385.262 2.443 20 5 GEBDMO CN(C(=O)C[N@@H+](C)CCn1cc(Br)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000288784380 532837984 /nfs/dbraw/zinc/83/79/84/532837984.db2.gz KQYJEEQDNBPVGM-UHFFFAOYSA-N 1 1 396.245 2.149 20 5 GEBDMO CN(C(=O)C[N@H+](C)CCn1cc(Br)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000288784380 532837981 /nfs/dbraw/zinc/83/79/81/532837981.db2.gz KQYJEEQDNBPVGM-UHFFFAOYSA-N 1 1 396.245 2.149 20 5 GEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)[C@H]2C1 ZINC000293930995 532933533 /nfs/dbraw/zinc/93/35/33/532933533.db2.gz PTHQALOGTGLDOB-LSDHHAIUSA-N 1 1 398.257 2.293 20 5 GEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCc3c(Br)cccc3C2)c1 ZINC000368780855 532934323 /nfs/dbraw/zinc/93/43/23/532934323.db2.gz XGUASQKMGRMHBS-AWEZNQCLSA-N 1 1 395.257 2.363 20 5 GEBDMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000369553378 532940018 /nfs/dbraw/zinc/94/00/18/532940018.db2.gz MCYVVINMGQYKNE-GJZGRUSLSA-N 1 1 398.257 2.029 20 5 GEBDMO Cc1ccnc(N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1[N+](=O)[O-] ZINC000737437696 599041876 /nfs/dbraw/zinc/04/18/76/599041876.db2.gz PTBQCGSHANPQLM-UHFFFAOYSA-N 1 1 394.439 2.191 20 5 GEBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821614722 599081545 /nfs/dbraw/zinc/08/15/45/599081545.db2.gz SBEFCPXXSCNVJA-INIZCTEOSA-N 1 1 379.424 2.486 20 5 GEBDMO O=[N+]([O-])c1ccc2nc(NC[C@@H]3CC[N@H+](C4CC4)C3)cc(-c3nn[nH]n3)c2c1 ZINC000738366110 599273630 /nfs/dbraw/zinc/27/36/30/599273630.db2.gz CODYISVNDOGRQX-NSHDSACASA-N 1 1 380.412 2.219 20 5 GEBDMO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000736817751 598580345 /nfs/dbraw/zinc/58/03/45/598580345.db2.gz ISHGGDXQNPXZLP-QGZVFWFLSA-N 1 1 393.407 2.012 20 5 GEBDMO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000736817751 598580347 /nfs/dbraw/zinc/58/03/47/598580347.db2.gz ISHGGDXQNPXZLP-QGZVFWFLSA-N 1 1 393.407 2.012 20 5 GEBDMO O=[N+]([O-])c1ccc2nc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)cc(-c3nn[nH]n3)c2c1 ZINC000823645542 599483543 /nfs/dbraw/zinc/48/35/43/599483543.db2.gz TUJJSJWUSOFKCK-RYUDHWBXSA-N 1 1 380.412 2.362 20 5 GEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000820570700 599563076 /nfs/dbraw/zinc/56/30/76/599563076.db2.gz PIKPRFAPEVMOJC-CYBMUJFWSA-N 1 1 380.412 2.053 20 5 GEBDMO CN(c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821618964 606044099 /nfs/dbraw/zinc/04/40/99/606044099.db2.gz CYPZQQNDRHHILE-HNNXBMFYSA-N 1 1 394.439 2.271 20 5 GEBDMO CN(c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821618965 606045307 /nfs/dbraw/zinc/04/53/07/606045307.db2.gz CYPZQQNDRHHILE-OAHLLOKOSA-N 1 1 394.439 2.271 20 5 GEBDMO O=[N+]([O-])c1cc(N2CCC[N@@H+](Cc3ccccc3)CC2)ccc1-c1nn[nH]n1 ZINC000823634759 606645342 /nfs/dbraw/zinc/64/53/42/606645342.db2.gz LRHHXOZKSOECAL-UHFFFAOYSA-N 1 1 379.424 2.487 20 5 GEBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820571104 606700534 /nfs/dbraw/zinc/70/05/34/606700534.db2.gz VWPYRKLWPUEQCG-TZMCWYRMSA-N 1 1 380.412 2.417 20 5 GEBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821597862 606713347 /nfs/dbraw/zinc/71/33/47/606713347.db2.gz JXJBHCAMKNKMLQ-HNNXBMFYSA-N 1 1 394.439 2.128 20 5 GEBDMO C[C@H]([NH2+][C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000824556116 608392050 /nfs/dbraw/zinc/39/20/50/608392050.db2.gz ZOFKJJHSXNSKJP-LRDDRELGSA-N 1 1 393.407 2.231 20 5 GEBDMO COc1cc(C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)c([N+](=O)[O-])cc1OC ZINC000826179138 608522873 /nfs/dbraw/zinc/52/28/73/608522873.db2.gz AKAJQCDPNIDZMR-UHFFFAOYSA-N 1 1 384.396 2.424 20 5 GEBDMO COc1cc(C[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)c([N+](=O)[O-])cc1OC ZINC000826179138 608522874 /nfs/dbraw/zinc/52/28/74/608522874.db2.gz AKAJQCDPNIDZMR-UHFFFAOYSA-N 1 1 384.396 2.424 20 5 GEBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000531094878 650734492 /nfs/dbraw/zinc/73/44/92/650734492.db2.gz YTTGLBNRUPNDPJ-CYBMUJFWSA-N 1 1 384.845 2.224 20 5 GEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000531094883 650734587 /nfs/dbraw/zinc/73/45/87/650734587.db2.gz YTTGLBNRUPNDPJ-ZDUSSCGKSA-N 1 1 384.845 2.224 20 5 GEBDMO C[C@@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000490023181 650766577 /nfs/dbraw/zinc/76/65/77/650766577.db2.gz AIEISELPSXFNBM-LLVKDONJSA-N 1 1 395.257 2.408 20 5 GEBDMO C[C@@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000490023181 650766580 /nfs/dbraw/zinc/76/65/80/650766580.db2.gz AIEISELPSXFNBM-LLVKDONJSA-N 1 1 395.257 2.408 20 5 GEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)s1 ZINC000064245430 642871924 /nfs/dbraw/zinc/87/19/24/642871924.db2.gz SXKHGBHTWHRIFK-UHFFFAOYSA-N 1 1 381.479 2.383 20 5 GEBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000536694412 650805256 /nfs/dbraw/zinc/80/52/56/650805256.db2.gz QDEVOGSYRHVFHB-QWRGUYRKSA-N 1 1 385.262 2.320 20 5 GEBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000125879566 643714874 /nfs/dbraw/zinc/71/48/74/643714874.db2.gz NPFHUZAQTKOFMO-NSHDSACASA-N 1 1 386.246 2.198 20 5 GEBDMO Cc1c(Br)cc(C(=O)NCCC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000163079858 644247570 /nfs/dbraw/zinc/24/75/70/644247570.db2.gz UWYDPRQLTDLMFP-UHFFFAOYSA-N 1 1 399.289 2.033 20 5 GEBDMO C[C@@H](CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000170787980 644287205 /nfs/dbraw/zinc/28/72/05/644287205.db2.gz BLPKXXZJIBOTAJ-VIFPVBQESA-N 1 1 392.275 2.118 20 5 GEBDMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000194189718 645315273 /nfs/dbraw/zinc/31/52/73/645315273.db2.gz WWIJCQQXZJVDOE-LLVKDONJSA-N 1 1 392.275 2.120 20 5 GEBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237830158 645444915 /nfs/dbraw/zinc/44/49/15/645444915.db2.gz MNYDCUOPOIPKER-ULKQDVFKSA-N 1 1 380.253 2.463 20 5 GEBDMO CC[N@H+](Cc1ccccc1Br)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266536745 645848163 /nfs/dbraw/zinc/84/81/63/645848163.db2.gz OQMFZFGWFVFTOV-CQSZACIVSA-N 1 1 383.246 2.437 20 5 GEBDMO O=[N+]([O-])c1cnc(N2CC[NH+](CC3CCOCC3)CC2)c(Br)c1 ZINC000267262181 645893126 /nfs/dbraw/zinc/89/31/26/645893126.db2.gz QIYGTKUNFQERAY-UHFFFAOYSA-N 1 1 385.262 2.301 20 5 GEBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000270953234 646157275 /nfs/dbraw/zinc/15/72/75/646157275.db2.gz MKBZNZLVZVUXOI-CYBMUJFWSA-N 1 1 398.305 2.359 20 5 GEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000272453588 646274355 /nfs/dbraw/zinc/27/43/55/646274355.db2.gz KEGAXNLILFIKHF-INIZCTEOSA-N 1 1 383.495 2.421 20 5 GEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(Br)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000297973354 647268932 /nfs/dbraw/zinc/26/89/32/647268932.db2.gz WOEJUAGKXQSDKU-LSDHHAIUSA-N 1 1 398.257 2.293 20 5 GEBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1c(I)cncc1[N+](=O)[O-] ZINC000418962435 648326032 /nfs/dbraw/zinc/32/60/32/648326032.db2.gz GYDNYKJSJXMPNJ-SECBINFHSA-N 1 1 378.214 2.157 20 5 GEBDMO COCCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000550277585 651108450 /nfs/dbraw/zinc/10/84/50/651108450.db2.gz ASTNIDXKTKXETK-UHFFFAOYSA-N 1 1 388.262 2.364 20 5 GEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)c1 ZINC000551092803 651117986 /nfs/dbraw/zinc/11/79/86/651117986.db2.gz KMHFNEYQFSLQCL-DZGCQCFKSA-N 1 1 396.245 2.147 20 5 GEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)c1 ZINC000551092803 651117988 /nfs/dbraw/zinc/11/79/88/651117988.db2.gz KMHFNEYQFSLQCL-DZGCQCFKSA-N 1 1 396.245 2.147 20 5 GEBDMO C[C@@H]1C[NH+](C[C@@H](O)COc2ccc([N+](=O)[O-])cc2Br)C[C@@H](C)O1 ZINC000559282790 651294915 /nfs/dbraw/zinc/29/49/15/651294915.db2.gz YSYNICARIATLDP-NQBHXWOUSA-N 1 1 389.246 2.206 20 5 GEBDMO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000731967729 651641320 /nfs/dbraw/zinc/64/13/20/651641320.db2.gz PIOVKSQJBFESFD-JTQLQIEISA-N 1 1 375.397 2.487 20 5 GEBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[N@H+]1C ZINC000742308939 651978133 /nfs/dbraw/zinc/97/81/33/651978133.db2.gz MNUBXNDIPXVMAX-UWVGGRQHSA-N 1 1 392.275 2.118 20 5 GEBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3cccc(Br)c3)CC2)c1 ZINC000578891620 652301891 /nfs/dbraw/zinc/30/18/91/652301891.db2.gz UJHTVSMRWRZIGZ-UHFFFAOYSA-N 1 1 380.246 2.376 20 5 GEBDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccsc1 ZINC000593529174 652624166 /nfs/dbraw/zinc/62/41/66/652624166.db2.gz YKQLDFJZYKVDLR-AWEZNQCLSA-N 1 1 384.483 2.413 20 5 GEBDMO O=[N+]([O-])c1cc(Br)ccc1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595864220 652739751 /nfs/dbraw/zinc/73/97/51/652739751.db2.gz RCVQXJVRELDBCO-OAHLLOKOSA-N 1 1 384.274 2.388 20 5 GEBDMO C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CS1(=O)=O ZINC000602711570 653201722 /nfs/dbraw/zinc/20/17/22/653201722.db2.gz QSJKNUAOJMNNCI-HTQZYQBOSA-N 1 1 383.289 2.474 20 5 GEBDMO O=C(OCCC[NH+]1CCOCC1)c1sc(Br)cc1[N+](=O)[O-] ZINC000773600337 653207394 /nfs/dbraw/zinc/20/73/94/653207394.db2.gz RMRTVGQBMDDGPN-UHFFFAOYSA-N 1 1 379.232 2.298 20 5 GEBDMO Cc1ccc(N2CC(CN3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1Br ZINC000858610588 653369955 /nfs/dbraw/zinc/36/99/55/653369955.db2.gz DDGWHOSRPWRNRQ-UHFFFAOYSA-N 1 1 383.290 2.349 20 5 GEBDMO O=[N+]([O-])c1sc(CNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1Br ZINC000877021748 653460640 /nfs/dbraw/zinc/46/06/40/653460640.db2.gz FXYQKAXDSCFDBR-VHSXEESVSA-N 1 1 376.276 2.372 20 5 GEBDMO O=[N+]([O-])c1sc(CNC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1Br ZINC000877021746 653460823 /nfs/dbraw/zinc/46/08/23/653460823.db2.gz FXYQKAXDSCFDBR-UWVGGRQHSA-N 1 1 376.276 2.372 20 5 GEBDMO Cn1nnnc1C1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000877781585 653619892 /nfs/dbraw/zinc/61/98/92/653619892.db2.gz NLPYDEITFALMLI-UHFFFAOYSA-N 1 1 381.234 2.260 20 5 GEBDMO C[C@@H]1CCC[N@H+]1CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000780867994 653634198 /nfs/dbraw/zinc/63/41/98/653634198.db2.gz UGXVBIZHCXTIKB-SNVBAGLBSA-N 1 1 392.275 2.120 20 5 GEBDMO C[C@@H]1CCC[N@H+]1CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000780868340 653634390 /nfs/dbraw/zinc/63/43/90/653634390.db2.gz SUBYISXQLQJENP-SNVBAGLBSA-N 1 1 392.275 2.120 20 5 GEBDMO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000839521972 653653591 /nfs/dbraw/zinc/65/35/91/653653591.db2.gz SDVWMGWOGWGGDB-AWEZNQCLSA-N 1 1 375.219 2.415 20 5 GEBDMO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000817149851 653704302 /nfs/dbraw/zinc/70/43/02/653704302.db2.gz INWMMTLPXXZSLT-LLVKDONJSA-N 1 1 392.275 2.072 20 5 GEBDMO C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000883359091 653836887 /nfs/dbraw/zinc/83/68/87/653836887.db2.gz YCESEEJDXLIUGP-NSHDSACASA-N 1 1 385.262 2.498 20 5 GEBDMO C[C@@H]1C[N@H+](CCN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCO1 ZINC000792910638 653855576 /nfs/dbraw/zinc/85/55/76/653855576.db2.gz FGIGLPJCFCQEHM-GFCCVEGCSA-N 1 1 384.274 2.436 20 5 GEBDMO C[C@@H]1C[N@@H+](CCN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCO1 ZINC000792910638 653855577 /nfs/dbraw/zinc/85/55/77/653855577.db2.gz FGIGLPJCFCQEHM-GFCCVEGCSA-N 1 1 384.274 2.436 20 5 GEBDMO CO[C@@]1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000896681519 653890598 /nfs/dbraw/zinc/89/05/98/653890598.db2.gz DUGVXOFRPSKVGQ-CYBMUJFWSA-N 1 1 383.253 2.195 20 5 GEBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884957333 653898305 /nfs/dbraw/zinc/89/83/05/653898305.db2.gz OHDPLSHSTPVLEP-ZJUUUORDSA-N 1 1 377.825 2.292 20 5 GEBDMO CN([C@@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000867424303 653931026 /nfs/dbraw/zinc/93/10/26/653931026.db2.gz NRTWANFTWJOGTG-GFCCVEGCSA-N 1 1 377.825 2.102 20 5 GEBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000885893460 653962748 /nfs/dbraw/zinc/96/27/48/653962748.db2.gz RHFZRTUJROXZTL-LBPRGKRZSA-N 1 1 398.257 2.340 20 5 GEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795887479 653975174 /nfs/dbraw/zinc/97/51/74/653975174.db2.gz AMUVKGCGWBCIJV-ZWNOBZJWSA-N 1 1 391.852 2.492 20 5 GEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795887478 653975235 /nfs/dbraw/zinc/97/52/35/653975235.db2.gz AMUVKGCGWBCIJV-MFKMUULPSA-N 1 1 391.852 2.492 20 5 GEBDMO C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000867810106 653991066 /nfs/dbraw/zinc/99/10/66/653991066.db2.gz WYMGDUOYHVJVEH-CABZTGNLSA-N 1 1 377.825 2.102 20 5 GEBDMO C[C@H]1C[C@@H](NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000796640541 654002997 /nfs/dbraw/zinc/00/29/97/654002997.db2.gz SCAUNXSULBZLIX-AAEUAGOBSA-N 1 1 399.289 2.392 20 5 GEBDMO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000899219997 654004632 /nfs/dbraw/zinc/00/46/32/654004632.db2.gz GUBAARPBZKBPPF-GFCCVEGCSA-N 1 1 388.237 2.450 20 5 GEBDMO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000899219997 654004635 /nfs/dbraw/zinc/00/46/35/654004635.db2.gz GUBAARPBZKBPPF-GFCCVEGCSA-N 1 1 388.237 2.450 20 5 GEBDMO O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000900790873 654080489 /nfs/dbraw/zinc/08/04/89/654080489.db2.gz AIOHXNUIGMDNAU-CHWSQXEVSA-N 1 1 398.257 2.029 20 5 GEBDMO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000889726928 654164585 /nfs/dbraw/zinc/16/45/85/654164585.db2.gz XSNVIBDHCZGVHP-UHFFFAOYSA-N 1 1 383.246 2.347 20 5 GEBDMO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1c(Br)cccc1[N+](=O)[O-])C2 ZINC000903978487 654293997 /nfs/dbraw/zinc/29/39/97/654293997.db2.gz HBTMYGRZAXTRQA-USBNGQNGSA-N 1 1 398.257 2.070 20 5 GEBDMO CN1C(=O)NCC12CC[NH+](Cc1cc([N+](=O)[O-])ccc1Br)CC2 ZINC000930762798 654719163 /nfs/dbraw/zinc/71/91/63/654719163.db2.gz LBLGYDWMCRUXDL-UHFFFAOYSA-N 1 1 383.246 2.347 20 5 GEBDMO C[N@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)C[C@H]21 ZINC001164669911 719469783 /nfs/dbraw/zinc/46/97/83/719469783.db2.gz VXZSLQPCXNKCCF-CVEARBPZSA-N 1 1 375.816 2.224 20 5 GEBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc([N+](=O)[O-])c(OC)n1)C2 ZINC001164810382 720087475 /nfs/dbraw/zinc/08/74/75/720087475.db2.gz LKBHMUAWCNCZCM-DNVCBOLYSA-N 1 1 376.457 2.183 20 5 GEBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC001164805855 720092502 /nfs/dbraw/zinc/09/25/02/720092502.db2.gz ABAOKUYKPZETJR-KSSFIOAISA-N 1 1 391.428 2.083 20 5 GEBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(N)c([N+](=O)[O-])cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834985 720557851 /nfs/dbraw/zinc/55/78/51/720557851.db2.gz GJODMJWCYABUGG-YQQAZPJKSA-N 1 1 385.472 2.146 20 5 GEBDMO O=[N+]([O-])c1ccc2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2c1 ZINC001164738875 720671266 /nfs/dbraw/zinc/67/12/66/720671266.db2.gz LESSYGGQGCKQQB-IAGOWNOFSA-N 1 1 392.419 2.275 20 5 GEBDMO O=[N+]([O-])c1cccc2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc21 ZINC001164736679 720685620 /nfs/dbraw/zinc/68/56/20/720685620.db2.gz AKPZASOTNVVSOL-CVEARBPZSA-N 1 1 392.419 2.275 20 5 GEBDMO COCC[N@H+]1CCO[C@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164861752 720865645 /nfs/dbraw/zinc/86/56/45/720865645.db2.gz YNHCOKFEKVDWAG-LPHOPBHVSA-N 1 1 386.452 2.317 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc(Cl)cc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164771586 721077063 /nfs/dbraw/zinc/07/70/63/721077063.db2.gz SCESOHNZPJJYLU-UONOGXRCSA-N 1 1 376.848 2.335 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nccc(Cl)c4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164765848 721077173 /nfs/dbraw/zinc/07/71/73/721077173.db2.gz JXVNMJLKURPJJB-UONOGXRCSA-N 1 1 376.848 2.335 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cnc5ccc([N+](=O)[O-])cc5n4)C[C@H]3C2)cn1 ZINC001164772681 721086024 /nfs/dbraw/zinc/08/60/24/721086024.db2.gz VRNKKQMWEUFWHY-JKSUJKDBSA-N 1 1 393.451 2.230 20 5 GEBDMO O=[N+]([O-])c1c[nH]c2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc21 ZINC001164865499 721107742 /nfs/dbraw/zinc/10/77/42/721107742.db2.gz LZPBMOIUTHMNQR-HOTGVXAUSA-N 1 1 394.435 2.346 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc5ccc([N+](=O)[O-])cc54)C[C@H]3C2)cn1 ZINC001164766395 721116170 /nfs/dbraw/zinc/11/61/70/721116170.db2.gz KYWGFNSBEMYPIR-JKSUJKDBSA-N 1 1 393.451 2.230 20 5 GEBDMO Cc1nc(Cl)nc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164787687 721390273 /nfs/dbraw/zinc/39/02/73/721390273.db2.gz QVSLAFDZTQAJLS-PHIMTYICSA-N 1 1 380.861 2.371 20 5 GEBDMO Cc1nc(Cl)nc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164787687 721390276 /nfs/dbraw/zinc/39/02/76/721390276.db2.gz QVSLAFDZTQAJLS-PHIMTYICSA-N 1 1 380.861 2.371 20 5 GEBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982806 722101022 /nfs/dbraw/zinc/10/10/22/722101022.db2.gz PEHAQPRLMBULJF-HKUYNNGSSA-N 1 1 383.452 2.421 20 5 GEBDMO Cc1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164984101 722101743 /nfs/dbraw/zinc/10/17/43/722101743.db2.gz RRQYNQMAVRZHJQ-MJGOQNOKSA-N 1 1 383.452 2.421 20 5 GEBDMO CC(C)[N@@H+](C)CCNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000154781198 531630857 /nfs/dbraw/zinc/63/08/57/531630857.db2.gz QXUJKJHVFNZJHF-UHFFFAOYSA-N 1 1 391.209 2.269 20 5 GEBDMO C[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000171275245 531903107 /nfs/dbraw/zinc/90/31/07/531903107.db2.gz YMCOYBFJWQJONJ-JTQLQIEISA-N 1 1 389.193 2.023 20 5 GEBDMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000122294358 532064554 /nfs/dbraw/zinc/06/45/54/532064554.db2.gz IPKSWOLHFQPMNX-GFCCVEGCSA-N 1 1 398.257 2.152 20 5 GEBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)C[NH+]1CCOCC1 ZINC000123586767 532102692 /nfs/dbraw/zinc/10/26/92/532102692.db2.gz DEEZRIBRORVUME-NSHDSACASA-N 1 1 386.246 2.055 20 5 GEBDMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)cn1 ZINC000177510103 532173755 /nfs/dbraw/zinc/17/37/55/532173755.db2.gz OHBDVOGPGXSFQQ-UHFFFAOYSA-N 1 1 379.423 2.024 20 5 GEBDMO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccnc1Cl ZINC000178005055 532189883 /nfs/dbraw/zinc/18/98/83/532189883.db2.gz YLGHVCWJDZMWQS-LLVKDONJSA-N 1 1 384.845 2.272 20 5 GEBDMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000185225777 532337153 /nfs/dbraw/zinc/33/71/53/532337153.db2.gz DBUREBOPAJBSJQ-UHFFFAOYSA-N 1 1 381.376 2.328 20 5 GEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000192984931 532415537 /nfs/dbraw/zinc/41/55/37/532415537.db2.gz BIQDTJMKSYYPIC-AWEZNQCLSA-N 1 1 381.479 2.457 20 5 GEBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1sc(Br)cc1[N+](=O)[O-] ZINC000373113883 532433314 /nfs/dbraw/zinc/43/33/14/532433314.db2.gz WKAHFHHGYPANPF-DTWKUNHWSA-N 1 1 390.259 2.012 20 5 GEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000469484286 532503278 /nfs/dbraw/zinc/50/32/78/532503278.db2.gz QXUJDWPLZHBQMW-UHFFFAOYSA-N 1 1 382.218 2.405 20 5 GEBDMO O=[N+]([O-])c1cncc(Br)c1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000283517278 532544902 /nfs/dbraw/zinc/54/49/02/532544902.db2.gz MUISTOSFTQKMGP-LBPRGKRZSA-N 1 1 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C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000151616167 643949977 /nfs/dbraw/zinc/94/99/77/643949977.db2.gz WLRQXZIOXNZRNG-CQSZACIVSA-N 1 1 397.273 2.100 20 5 GEBDMO Cc1c(Br)c(NC2CC[NH+](CCN(C)C)CC2)ncc1[N+](=O)[O-] ZINC000543437741 650911903 /nfs/dbraw/zinc/91/19/03/650911903.db2.gz SZKITGAWLWLVQP-UHFFFAOYSA-N 1 1 386.294 2.499 20 5 GEBDMO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccnc1Cl ZINC000178000063 644428509 /nfs/dbraw/zinc/42/85/09/644428509.db2.gz HGHAIRIYODXNDT-NSHDSACASA-N 1 1 384.845 2.272 20 5 GEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@H]21 ZINC000368590831 647759793 /nfs/dbraw/zinc/75/97/93/647759793.db2.gz LBYFTJAUXCUWTE-IAQYHMDHSA-N 1 1 382.258 2.452 20 5 GEBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000377882832 647871315 /nfs/dbraw/zinc/87/13/15/647871315.db2.gz GZKQHNROJBJVPA-RNCFNFMXSA-N 1 1 377.825 2.102 20 5 GEBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 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C[NH+]1CCN(CCCCNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599062507 652847172 /nfs/dbraw/zinc/84/71/72/652847172.db2.gz XIUBJXHIVXCXJP-UHFFFAOYSA-N 1 1 399.289 2.115 20 5 GEBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC1CC([NH+]2CCOCC2)C1 ZINC000600066004 652902009 /nfs/dbraw/zinc/90/20/09/652902009.db2.gz FFSRHNJNUBPSNU-UHFFFAOYSA-N 1 1 385.873 2.320 20 5 GEBDMO O=c1c([N+](=O)[O-])cn(Cc2cn3cc(Br)ccc3[nH+]2)cc1[N+](=O)[O-] ZINC000768459300 653113546 /nfs/dbraw/zinc/11/35/46/653113546.db2.gz LHRXIKVXPULBNC-UHFFFAOYSA-N 1 1 394.141 2.123 20 5 GEBDMO CC(C)(O)C[NH+]1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602454135 653182420 /nfs/dbraw/zinc/18/24/20/653182420.db2.gz KEFCAAJHZGFYCI-UHFFFAOYSA-N 1 1 378.292 2.307 20 5 GEBDMO C[C@H]1CC[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CS1(=O)=O ZINC000602711573 653201563 /nfs/dbraw/zinc/20/15/63/653201563.db2.gz QSJKNUAOJMNNCI-YUMQZZPRSA-N 1 1 383.289 2.474 20 5 GEBDMO C[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CS1(=O)=O ZINC000602711571 653201919 /nfs/dbraw/zinc/20/19/19/653201919.db2.gz QSJKNUAOJMNNCI-JGVFFNPUSA-N 1 1 383.289 2.474 20 5 GEBDMO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1Cl ZINC000809808691 653297136 /nfs/dbraw/zinc/29/71/36/653297136.db2.gz DQAPEXVLSDZKBH-VXGBXAGGSA-N 1 1 377.825 2.292 20 5 GEBDMO O=[N+]([O-])c1sc(CN2CC[NH+](CCCCO)CC2)cc1Br ZINC000876725222 653444181 /nfs/dbraw/zinc/44/41/81/653444181.db2.gz PBOBMDFOLDFIKN-UHFFFAOYSA-N 1 1 378.292 2.309 20 5 GEBDMO C[C@H]1CCC[N@H+]1CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000780864648 653633868 /nfs/dbraw/zinc/63/38/68/653633868.db2.gz DSQCYMAERKYADH-JTQLQIEISA-N 1 1 392.275 2.120 20 5 GEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815028132 653645598 /nfs/dbraw/zinc/64/55/98/653645598.db2.gz RMJSBHYEBKHOCE-GWCFXTLKSA-N 1 1 391.852 2.492 20 5 GEBDMO Cn1cc[nH+]c1N1CCN(Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839525083 653653813 /nfs/dbraw/zinc/65/38/13/653653813.db2.gz NYGFYSMZIVORAR-UHFFFAOYSA-N 1 1 380.246 2.413 20 5 GEBDMO Cn1nnnc1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000879917400 653687291 /nfs/dbraw/zinc/68/72/91/653687291.db2.gz RZXOPPALWNBNEP-UHFFFAOYSA-N 1 1 381.234 2.260 20 5 GEBDMO CN(C[C@@H]1CCC[N@H+]1C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000817374847 653709454 /nfs/dbraw/zinc/70/94/54/653709454.db2.gz MXVZAHVGOFOMOI-LBPRGKRZSA-N 1 1 397.273 2.297 20 5 GEBDMO C[N@H+]1C[C@@H]2CCCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)[C@@H]2C1 ZINC000819910421 653762116 /nfs/dbraw/zinc/76/21/16/653762116.db2.gz ARAKMLYYUWQHDF-JOYOIKCWSA-N 1 1 377.825 2.102 20 5 GEBDMO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NCC[NH+]1CCSCC1 ZINC000865747774 653773839 /nfs/dbraw/zinc/77/38/39/653773839.db2.gz SXFITMTWPINXKU-UHFFFAOYSA-N 1 1 388.287 2.065 20 5 GEBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)C2 ZINC000821026143 653789009 /nfs/dbraw/zinc/78/90/09/653789009.db2.gz QCEAPAYSDHLRTG-INIZCTEOSA-N 1 1 397.273 2.497 20 5 GEBDMO COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000790479000 653792848 /nfs/dbraw/zinc/79/28/48/653792848.db2.gz FOECMZACZTVUOA-CQSZACIVSA-N 1 1 385.467 2.246 20 5 GEBDMO C[C@H]1C[N@H+](CCN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCO1 ZINC000792910643 653855502 /nfs/dbraw/zinc/85/55/02/653855502.db2.gz FGIGLPJCFCQEHM-LBPRGKRZSA-N 1 1 384.274 2.436 20 5 GEBDMO C[C@H]1C[N@@H+](CCN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCO1 ZINC000792910643 653855506 /nfs/dbraw/zinc/85/55/06/653855506.db2.gz FGIGLPJCFCQEHM-LBPRGKRZSA-N 1 1 384.274 2.436 20 5 GEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896539988 653883611 /nfs/dbraw/zinc/88/36/11/653883611.db2.gz CMNOWQHCPSJZBV-NHYWBVRUSA-N 1 1 399.289 2.030 20 5 GEBDMO CN(CC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000795563011 653959025 /nfs/dbraw/zinc/95/90/25/653959025.db2.gz MOHXREIXGSUTOH-GFCCVEGCSA-N 1 1 397.273 2.146 20 5 GEBDMO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795829081 653968897 /nfs/dbraw/zinc/96/88/97/653968897.db2.gz KITUGDLSRSEPFV-SNVBAGLBSA-N 1 1 377.825 2.245 20 5 GEBDMO CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795829081 653968902 /nfs/dbraw/zinc/96/89/02/653968902.db2.gz KITUGDLSRSEPFV-SNVBAGLBSA-N 1 1 377.825 2.245 20 5 GEBDMO C[C@@H]1C[C@@H](NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000796640550 654002856 /nfs/dbraw/zinc/00/28/56/654002856.db2.gz SCAUNXSULBZLIX-YPMHNXCESA-N 1 1 399.289 2.392 20 5 GEBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000798227874 654055794 /nfs/dbraw/zinc/05/57/94/654055794.db2.gz AADCZICHTIKSSJ-SNVBAGLBSA-N 1 1 379.841 2.350 20 5 GEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000829564416 654072407 /nfs/dbraw/zinc/07/24/07/654072407.db2.gz YKQWEIXHRLTWAB-WDEREUQCSA-N 1 1 383.246 2.248 20 5 GEBDMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1cccc([N+](=O)[O-])c1Br ZINC000900719336 654077902 /nfs/dbraw/zinc/07/79/02/654077902.db2.gz GOUCLFKYXYYVCH-GFCCVEGCSA-N 1 1 398.257 2.340 20 5 GEBDMO O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000900790874 654080519 /nfs/dbraw/zinc/08/05/19/654080519.db2.gz AIOHXNUIGMDNAU-OLZOCXBDSA-N 1 1 398.257 2.029 20 5 GEBDMO C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000900810936 654082078 /nfs/dbraw/zinc/08/20/78/654082078.db2.gz IVBYFZVIOZQWLF-NOZJJQNGSA-N 1 1 375.256 2.266 20 5 GEBDMO Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+](C)C1CC1 ZINC000799765041 654110412 /nfs/dbraw/zinc/11/04/12/654110412.db2.gz BSQQSGKTDBAMOU-UHFFFAOYSA-N 1 1 392.275 2.038 20 5 GEBDMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889763902 654170097 /nfs/dbraw/zinc/17/00/97/654170097.db2.gz OVXYKOZLIIUGQH-HUUCEWRRSA-N 1 1 398.257 2.029 20 5 GEBDMO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000851821292 654183645 /nfs/dbraw/zinc/18/36/45/654183645.db2.gz QFFMIGANEWSMCP-SNVBAGLBSA-N 1 1 392.275 2.120 20 5 GEBDMO O=[N+]([O-])c1cc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)ccc1Br ZINC000852708182 654255294 /nfs/dbraw/zinc/25/52/94/654255294.db2.gz SRFQWHHOOGTSTP-AWEZNQCLSA-N 1 1 384.274 2.388 20 5 GEBDMO CC[N@H+]1CCN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000804381496 654307733 /nfs/dbraw/zinc/30/77/33/654307733.db2.gz OTQYSMOOCWKXQP-GFCCVEGCSA-N 1 1 399.289 2.346 20 5 GEBDMO C[NH+]1CCN(CC2CN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)CC1 ZINC000854644630 654372731 /nfs/dbraw/zinc/37/27/31/654372731.db2.gz QMUDVEDPALSGLY-UHFFFAOYSA-N 1 1 387.267 2.221 20 5 GEBDMO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)CC[N@H+]1C ZINC000928437254 654647224 /nfs/dbraw/zinc/64/72/24/654647224.db2.gz BTGCZAKJVNVIFM-QPUJVOFHSA-N 1 1 389.193 2.022 20 5 GEBDMO Cn1nnnc1C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000931605492 654749094 /nfs/dbraw/zinc/74/90/94/654749094.db2.gz UNYUZQZYNIPVMW-UHFFFAOYSA-N 1 1 381.234 2.260 20 5 GEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2cncc(Br)c2)c1 ZINC000932249918 654772255 /nfs/dbraw/zinc/77/22/55/654772255.db2.gz HBYPAZOUKNLYAF-LSDHHAIUSA-N 1 1 396.245 2.147 20 5 GEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2cncc(Br)c2)c1 ZINC000932249918 654772256 /nfs/dbraw/zinc/77/22/56/654772256.db2.gz HBYPAZOUKNLYAF-LSDHHAIUSA-N 1 1 396.245 2.147 20 5 GEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000934888973 654864761 /nfs/dbraw/zinc/86/47/61/654864761.db2.gz GMMNOXNHSHBIRR-ZWNOBZJWSA-N 1 1 397.273 2.496 20 5 GEBDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])CC2 ZINC001164650146 719313140 /nfs/dbraw/zinc/31/31/40/719313140.db2.gz UOTLAKKHUAADJC-UHFFFAOYSA-N 1 1 394.863 2.283 20 5 GEBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1nccc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164685555 719734348 /nfs/dbraw/zinc/73/43/48/719734348.db2.gz MDIUANGDNLCLDW-UHFFFAOYSA-N 1 1 383.452 2.324 20 5 GEBDMO COC(=O)c1cnc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001164723580 720360959 /nfs/dbraw/zinc/36/09/59/720360959.db2.gz IAACNQMAYGTLCE-HZPDHXFCSA-N 1 1 383.408 2.025 20 5 GEBDMO O=[N+]([O-])c1cccc2nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)ccc21 ZINC001164736702 720689713 /nfs/dbraw/zinc/68/97/13/720689713.db2.gz AMZKWIUGPZGYTK-GJZGRUSLSA-N 1 1 392.419 2.275 20 5 GEBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737893 720729233 /nfs/dbraw/zinc/72/92/33/720729233.db2.gz DIZGMCIJJUUULC-HZPDHXFCSA-N 1 1 392.419 2.275 20 5 GEBDMO Cc1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1[N+](=O)[O-] ZINC001164746821 720817774 /nfs/dbraw/zinc/81/77/74/720817774.db2.gz ZHXCUUSSQHHVSJ-KZNAEPCWSA-N 1 1 397.483 2.269 20 5 GEBDMO COc1nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)ncc1[N+](=O)[O-] ZINC001164856757 720919928 /nfs/dbraw/zinc/91/99/28/720919928.db2.gz KTIFGRNOXIJTFO-GFCCVEGCSA-N 1 1 375.433 2.011 20 5 GEBDMO O=[N+]([O-])c1c[nH]c2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc21 ZINC001164865500 721107797 /nfs/dbraw/zinc/10/77/97/721107797.db2.gz LZPBMOIUTHMNQR-HZPDHXFCSA-N 1 1 394.435 2.346 20 5 GEBDMO COc1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164904638 721530700 /nfs/dbraw/zinc/53/07/00/721530700.db2.gz FUUAQAMSAZEPIS-WMLDXEAASA-N 1 1 388.399 2.479 20 5 GEBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc([N+](=O)[O-])cc[n+]1[O-])C2 ZINC001164907875 721744477 /nfs/dbraw/zinc/74/44/77/721744477.db2.gz BZUMSOLSHQBTMM-UHFFFAOYSA-N 1 1 395.419 2.411 20 5 GEBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc([N+](=O)[O-])cc[n+]1[O-])C2 ZINC001164907875 721744479 /nfs/dbraw/zinc/74/44/79/721744479.db2.gz BZUMSOLSHQBTMM-UHFFFAOYSA-N 1 1 395.419 2.411 20 5 GEBDMO Cc1nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)ncc1[N+](=O)[O-] ZINC001164961582 722061585 /nfs/dbraw/zinc/06/15/85/722061585.db2.gz MBJOCOVOEMHWTP-UHFFFAOYSA-N 1 1 398.467 2.207 20 5 GEBDMO O=[N+]([O-])c1cc(F)cnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980663 722106269 /nfs/dbraw/zinc/10/62/69/722106269.db2.gz JWGAQTAMWYHODY-MAUKXSAKSA-N 1 1 387.415 2.251 20 5 GEBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000030431813 531636721 /nfs/dbraw/zinc/63/67/21/531636721.db2.gz KGZPLBJPRBEIIB-UHFFFAOYSA-N 1 1 385.511 2.235 20 5 GEBDMO CCN1CC[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000159807613 531795552 /nfs/dbraw/zinc/79/55/52/531795552.db2.gz SXJBXLCDOGJORL-UHFFFAOYSA-N 1 1 399.289 2.115 20 5 GEBDMO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000162936734 531852692 /nfs/dbraw/zinc/85/26/92/531852692.db2.gz FFEBTMKJWDOPPE-SNVBAGLBSA-N 1 1 381.376 2.376 20 5 GEBDMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000162936734 531852699 /nfs/dbraw/zinc/85/26/99/531852699.db2.gz FFEBTMKJWDOPPE-SNVBAGLBSA-N 1 1 381.376 2.376 20 5 GEBDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000163349609 531857317 /nfs/dbraw/zinc/85/73/17/531857317.db2.gz JRQAGBRDJHXAGM-SNVBAGLBSA-N 1 1 381.376 2.234 20 5 GEBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000171275237 531902454 /nfs/dbraw/zinc/90/24/54/531902454.db2.gz YMCOYBFJWQJONJ-SNVBAGLBSA-N 1 1 389.193 2.023 20 5 GEBDMO CC(C)(O)C[NH+]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000182646729 532316177 /nfs/dbraw/zinc/31/61/77/532316177.db2.gz NCBMSPQIBSCKDX-UHFFFAOYSA-N 1 1 387.889 2.255 20 5 GEBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000184382123 532332647 /nfs/dbraw/zinc/33/26/47/532332647.db2.gz UYHIQSDFASORHY-LBPRGKRZSA-N 1 1 399.289 2.113 20 5 GEBDMO Cc1cc(Br)c2c(c1)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000189226442 532351418 /nfs/dbraw/zinc/35/14/18/532351418.db2.gz CRTNIMLQADDBGH-CQSZACIVSA-N 1 1 395.257 2.281 20 5 GEBDMO Cc1cc(Br)c2c(c1)C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000189226442 532351419 /nfs/dbraw/zinc/35/14/19/532351419.db2.gz CRTNIMLQADDBGH-CQSZACIVSA-N 1 1 395.257 2.281 20 5 GEBDMO CSC[C@H](O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000187740631 532345442 /nfs/dbraw/zinc/34/54/42/532345442.db2.gz MTFQTQCFQSCEBI-GFCCVEGCSA-N 1 1 379.404 2.460 20 5 GEBDMO O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000283483879 532541849 /nfs/dbraw/zinc/54/18/49/532541849.db2.gz KJZJSEHDRHUQLE-LBPRGKRZSA-N 1 1 385.262 2.301 20 5 GEBDMO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000595353613 532559554 /nfs/dbraw/zinc/55/95/54/532559554.db2.gz IQDLMNYKYAKDQL-LLVKDONJSA-N 1 1 381.376 2.376 20 5 GEBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000283997958 532572702 /nfs/dbraw/zinc/57/27/02/532572702.db2.gz NKJPQPAXEZSWOM-LLVKDONJSA-N 1 1 386.246 2.116 20 5 GEBDMO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597695120 532624324 /nfs/dbraw/zinc/62/43/24/532624324.db2.gz QKZNCBUOIOFMKN-GJZGRUSLSA-N 1 1 398.257 2.293 20 5 GEBDMO CS[C@H]1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000436439306 532633176 /nfs/dbraw/zinc/63/31/76/532633176.db2.gz MIGJPUHIKVNZFI-KGLIPLIRSA-N 1 1 385.511 2.014 20 5 GEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000330592918 532821761 /nfs/dbraw/zinc/82/17/61/532821761.db2.gz PENKNEFQDAMLDH-GHMZBOCLSA-N 1 1 385.262 2.320 20 5 GEBDMO C[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C[N@H+]1C ZINC000330592919 532821837 /nfs/dbraw/zinc/82/18/37/532821837.db2.gz PENKNEFQDAMLDH-MNOVXSKESA-N 1 1 385.262 2.320 20 5 GEBDMO COc1cc(C[N@H+]2C[C@H](O)C[C@H]2CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000359975181 206274905 /nfs/dbraw/zinc/27/49/05/206274905.db2.gz PZGJCKPGPSBRGT-ZWKOTPCHSA-N 1 1 388.420 2.110 20 5 GEBDMO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289504896 532856705 /nfs/dbraw/zinc/85/67/05/532856705.db2.gz KZPVGFOBUILNQO-ZRNGKTOUSA-N 1 1 396.250 2.398 20 5 GEBDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289504896 532856707 /nfs/dbraw/zinc/85/67/07/532856707.db2.gz KZPVGFOBUILNQO-ZRNGKTOUSA-N 1 1 396.250 2.398 20 5 GEBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000416408196 532876727 /nfs/dbraw/zinc/87/67/27/532876727.db2.gz OOSBHBWKQZCIAH-KOLCDFICSA-N 1 1 381.376 2.375 20 5 GEBDMO NC(=O)[C@@H]1CCC[N@@H+]1CCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290801763 532889756 /nfs/dbraw/zinc/88/97/56/532889756.db2.gz FHSPJSBJVOVLDB-ZDUSSCGKSA-N 1 1 375.256 2.331 20 5 GEBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290801763 532889759 /nfs/dbraw/zinc/88/97/59/532889759.db2.gz FHSPJSBJVOVLDB-ZDUSSCGKSA-N 1 1 375.256 2.331 20 5 GEBDMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000369553381 532939904 /nfs/dbraw/zinc/93/99/04/532939904.db2.gz MCYVVINMGQYKNE-LSDHHAIUSA-N 1 1 398.257 2.029 20 5 GEBDMO CCOCCC[N@H+]1CC[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000736616300 599063291 /nfs/dbraw/zinc/06/32/91/599063291.db2.gz QVOOWXNZJVKMCI-HIFRSBDPSA-N 1 1 389.460 2.324 20 5 GEBDMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000822449484 607306006 /nfs/dbraw/zinc/30/60/06/607306006.db2.gz BJAXTWYRRUITDT-UHFFFAOYSA-N 1 1 382.384 2.059 20 5 GEBDMO Cc1[nH+]ccn1-c1ccccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000737503363 598501130 /nfs/dbraw/zinc/50/11/30/598501130.db2.gz UVXDTEYSWWDAAI-UHFFFAOYSA-N 1 1 377.368 2.276 20 5 GEBDMO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000826183754 607510009 /nfs/dbraw/zinc/51/00/09/607510009.db2.gz ZEGZGWWZJWYPQE-UHFFFAOYSA-N 1 1 395.423 2.106 20 5 GEBDMO C[C@H]1CCC[N@@H+](CCNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820711341 606453431 /nfs/dbraw/zinc/45/34/31/606453431.db2.gz WRWZZUMAFRHISX-LBPRGKRZSA-N 1 1 382.428 2.467 20 5 GEBDMO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000823620736 606703809 /nfs/dbraw/zinc/70/38/09/606703809.db2.gz PFEAIXVDTZUURI-OAHLLOKOSA-N 1 1 394.439 2.494 20 5 GEBDMO C[C@H]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000820727151 606713485 /nfs/dbraw/zinc/71/34/85/606713485.db2.gz HTXYWNDARRVAQW-AWEZNQCLSA-N 1 1 394.439 2.271 20 5 GEBDMO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[N@H+]1Cc1ccccc1 ZINC000820668967 606875511 /nfs/dbraw/zinc/87/55/11/606875511.db2.gz XUESLICNYSKIKI-TZMCWYRMSA-N 1 1 380.412 2.245 20 5 GEBDMO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)c1 ZINC000823646962 606965423 /nfs/dbraw/zinc/96/54/23/606965423.db2.gz DVPSAJPWTQHACU-UHFFFAOYSA-N 1 1 383.387 2.236 20 5 GEBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826498429 608067782 /nfs/dbraw/zinc/06/77/82/608067782.db2.gz ULQNYSXIYZAKPP-SFHVURJKSA-N 1 1 380.408 2.391 20 5 GEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826498429 608067783 /nfs/dbraw/zinc/06/77/83/608067783.db2.gz ULQNYSXIYZAKPP-SFHVURJKSA-N 1 1 380.408 2.391 20 5 GEBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826498428 608067997 /nfs/dbraw/zinc/06/79/97/608067997.db2.gz ULQNYSXIYZAKPP-GOSISDBHSA-N 1 1 380.408 2.391 20 5 GEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826498428 608067998 /nfs/dbraw/zinc/06/79/98/608067998.db2.gz ULQNYSXIYZAKPP-GOSISDBHSA-N 1 1 380.408 2.391 20 5 GEBDMO CC[N@H+]1C[C@@H](C)N(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000825450559 608232159 /nfs/dbraw/zinc/23/21/59/608232159.db2.gz AUXCDNVBQOAQRT-VXGBXAGGSA-N 1 1 382.428 2.242 20 5 GEBDMO C[C@@H]([NH2+][C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000824556120 608391454 /nfs/dbraw/zinc/39/14/54/608391454.db2.gz ZOFKJJHSXNSKJP-WBMJQRKESA-N 1 1 393.407 2.231 20 5 GEBDMO CC[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000447026578 649994708 /nfs/dbraw/zinc/99/47/08/649994708.db2.gz IUEAEQBVPPPUGN-UHFFFAOYSA-N 1 1 392.275 2.120 20 5 GEBDMO C[C@H]1C[N@@H+](CCO)CCN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000450955385 650076336 /nfs/dbraw/zinc/07/63/36/650076336.db2.gz PIFUOVGDHXXJDK-NSHDSACASA-N 1 1 395.257 2.408 20 5 GEBDMO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)n1 ZINC000468186576 650504767 /nfs/dbraw/zinc/50/47/67/650504767.db2.gz JEKSUJOAZNQDTF-UHFFFAOYSA-N 1 1 382.218 2.405 20 5 GEBDMO CC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000513057364 650556942 /nfs/dbraw/zinc/55/69/42/650556942.db2.gz DTTISPQJEKFABF-UHFFFAOYSA-N 1 1 391.209 2.189 20 5 GEBDMO COC(=O)COc1ccc(CNc2cc[nH+]cc2Br)cc1[N+](=O)[O-] ZINC000486378426 650712726 /nfs/dbraw/zinc/71/27/26/650712726.db2.gz KZKVBHXKXAFACN-UHFFFAOYSA-N 1 1 396.197 2.338 20 5 GEBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2c(Br)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000154005479 644014008 /nfs/dbraw/zinc/01/40/08/644014008.db2.gz PYFDZNOXQZADTF-TUAOUCFPSA-N 1 1 389.246 2.206 20 5 GEBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2c(Br)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000154005479 644014014 /nfs/dbraw/zinc/01/40/14/644014014.db2.gz PYFDZNOXQZADTF-TUAOUCFPSA-N 1 1 389.246 2.206 20 5 GEBDMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000158148638 644141338 /nfs/dbraw/zinc/14/13/38/644141338.db2.gz GRGTWUWLHNAZIC-JTQLQIEISA-N 1 1 394.291 2.366 20 5 GEBDMO C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000177307526 644414933 /nfs/dbraw/zinc/41/49/33/644414933.db2.gz ACGFMPBAKMGUAJ-LLVKDONJSA-N 1 1 386.246 2.055 20 5 GEBDMO COCC[N@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000277155358 646384308 /nfs/dbraw/zinc/38/43/08/646384308.db2.gz IWKSQMHCLKYUHZ-UHFFFAOYSA-N 1 1 386.246 2.152 20 5 GEBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363258317 647589238 /nfs/dbraw/zinc/58/92/38/647589238.db2.gz FOOLMHVTUAQNFT-IACUBPJLSA-N 1 1 385.873 2.353 20 5 GEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3[C@H]4CCCC[N@@H+]4C[C@H]3C2)c(Cl)c1 ZINC000365544125 647675357 /nfs/dbraw/zinc/67/53/57/647675357.db2.gz FGIVBBNVBQFHNP-CORIIIEPSA-N 1 1 385.873 2.353 20 5 GEBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C[C@H]21 ZINC000377882830 647871338 /nfs/dbraw/zinc/87/13/38/647871338.db2.gz GZKQHNROJBJVPA-NOZJJQNGSA-N 1 1 377.825 2.102 20 5 GEBDMO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000377888403 647872023 /nfs/dbraw/zinc/87/20/23/647872023.db2.gz JKGYULGDEGCYSY-SNVBAGLBSA-N 1 1 377.825 2.246 20 5 GEBDMO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425494883 648681467 /nfs/dbraw/zinc/68/14/67/648681467.db2.gz RIHHFSBYXBBOAD-OAHLLOKOSA-N 1 1 387.230 2.369 20 5 GEBDMO COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425494883 648681474 /nfs/dbraw/zinc/68/14/74/648681474.db2.gz RIHHFSBYXBBOAD-OAHLLOKOSA-N 1 1 387.230 2.369 20 5 GEBDMO C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)CC[N@H+]1C ZINC000719385452 651476113 /nfs/dbraw/zinc/47/61/13/651476113.db2.gz HCUURWVLRLGADB-PRHODGIISA-N 1 1 389.193 2.022 20 5 GEBDMO C[N@H+]1CCCN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000610065040 651641386 /nfs/dbraw/zinc/64/13/86/651641386.db2.gz CMZKPUZOEWNUNH-UHFFFAOYSA-N 1 1 399.289 2.115 20 5 GEBDMO CN1CCC[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000610065040 651641392 /nfs/dbraw/zinc/64/13/92/651641392.db2.gz CMZKPUZOEWNUNH-UHFFFAOYSA-N 1 1 399.289 2.115 20 5 GEBDMO CN1CCC[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000610065040 651641393 /nfs/dbraw/zinc/64/13/93/651641393.db2.gz CMZKPUZOEWNUNH-UHFFFAOYSA-N 1 1 399.289 2.115 20 5 GEBDMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000610572473 651671444 /nfs/dbraw/zinc/67/14/44/651671444.db2.gz IKGWJZSGZKJERX-ZFWWWQNUSA-N 1 1 398.257 2.029 20 5 GEBDMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000757795508 652523232 /nfs/dbraw/zinc/52/32/32/652523232.db2.gz QUFXEJRIWZBAJP-RNCFNFMXSA-N 1 1 375.397 2.486 20 5 GEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000757795508 652523236 /nfs/dbraw/zinc/52/32/36/652523236.db2.gz QUFXEJRIWZBAJP-RNCFNFMXSA-N 1 1 375.397 2.486 20 5 GEBDMO CC[C@H](CC(F)F)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595545849 652733894 /nfs/dbraw/zinc/73/38/94/652733894.db2.gz KJAVMVDFTNPCLU-GFCCVEGCSA-N 1 1 379.429 2.486 20 5 GEBDMO CC[C@@H](CC(F)F)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595545850 652733971 /nfs/dbraw/zinc/73/39/71/652733971.db2.gz KJAVMVDFTNPCLU-LBPRGKRZSA-N 1 1 379.429 2.486 20 5 GEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599338105 652862307 /nfs/dbraw/zinc/86/23/07/652862307.db2.gz BKAMUSWZRKYRAY-NSHDSACASA-N 1 1 386.246 2.198 20 5 GEBDMO C[NH+](C)C1(CS(=O)(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000601403996 653092098 /nfs/dbraw/zinc/09/20/98/653092098.db2.gz DGTOLSLIEXMVMG-UHFFFAOYSA-N 1 1 381.376 2.127 20 5 GEBDMO O=[N+]([O-])c1sc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1Br ZINC000602460030 653182965 /nfs/dbraw/zinc/18/29/65/653182965.db2.gz RGDGTWMZUSYHDP-QWHCGFSZSA-N 1 1 390.303 2.450 20 5 GEBDMO CC[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C(=O)N1CCOCC1 ZINC000602563660 653191127 /nfs/dbraw/zinc/19/11/27/653191127.db2.gz FWLWHQRUIDFXAQ-LLVKDONJSA-N 1 1 392.275 2.146 20 5 GEBDMO COC(=O)C[C@]1([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCOC1 ZINC000602612475 653194764 /nfs/dbraw/zinc/19/47/64/653194764.db2.gz SKVHMHCAGZAYKI-GFCCVEGCSA-N 1 1 379.232 2.231 20 5 GEBDMO Cn1cc[nH+]c1N1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602716936 653202502 /nfs/dbraw/zinc/20/25/02/653202502.db2.gz VOWRWFMTGRBELI-UHFFFAOYSA-N 1 1 386.275 2.475 20 5 GEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809822057 653301699 /nfs/dbraw/zinc/30/16/99/653301699.db2.gz WBSKZJZJDAHGBM-SKDRFNHKSA-N 1 1 379.841 2.348 20 5 GEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809822055 653301985 /nfs/dbraw/zinc/30/19/85/653301985.db2.gz WBSKZJZJDAHGBM-CABZTGNLSA-N 1 1 379.841 2.348 20 5 GEBDMO C[C@@H]1CCC[N@H+]1CCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000780869018 653634360 /nfs/dbraw/zinc/63/43/60/653634360.db2.gz ZZSYJRXXAHZITQ-SNVBAGLBSA-N 1 1 392.275 2.120 20 5 GEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815018636 653644133 /nfs/dbraw/zinc/64/41/33/653644133.db2.gz WDNLOPINAYLMCW-SKDRFNHKSA-N 1 1 379.841 2.348 20 5 GEBDMO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000815018576 653644162 /nfs/dbraw/zinc/64/41/62/653644162.db2.gz UGHXGZUQQSFILI-ZJUUUORDSA-N 1 1 379.841 2.491 20 5 GEBDMO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815040810 653647321 /nfs/dbraw/zinc/64/73/21/653647321.db2.gz CSEXAGGEDAZOEH-SNVBAGLBSA-N 1 1 379.841 2.492 20 5 GEBDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815040810 653647326 /nfs/dbraw/zinc/64/73/26/653647326.db2.gz CSEXAGGEDAZOEH-SNVBAGLBSA-N 1 1 379.841 2.492 20 5 GEBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[NH2+]C[C@H]1C(F)F ZINC000843481164 653787930 /nfs/dbraw/zinc/78/79/30/653787930.db2.gz PSCGYXHEYUXLBK-VIFPVBQESA-N 1 1 382.136 2.176 20 5 GEBDMO C[N@H+]1C[C@@H]2CN(C(=O)NCc3ccc(Br)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896446388 653880308 /nfs/dbraw/zinc/88/03/08/653880308.db2.gz GAZSFOQWMLKFHG-WBMJQRKESA-N 1 1 397.273 2.450 20 5 GEBDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1(S(C)(=O)=O)CC1 ZINC000794743400 653918144 /nfs/dbraw/zinc/91/81/44/653918144.db2.gz ZDSRLCYKBNUQHF-VHSXEESVSA-N 1 1 389.861 2.131 20 5 GEBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795808583 653967936 /nfs/dbraw/zinc/96/79/36/653967936.db2.gz CCFPUQDSFOHYET-JTQLQIEISA-N 1 1 379.841 2.398 20 5 GEBDMO O=C1CC[C@H]([NH+]2CCN(c3ccc([N+](=O)[O-])cc3Br)CC2)CCN1 ZINC000829352605 654065350 /nfs/dbraw/zinc/06/53/50/654065350.db2.gz UZOMINXKIDUNKZ-LBPRGKRZSA-N 1 1 397.273 2.148 20 5 GEBDMO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000919841538 654194023 /nfs/dbraw/zinc/19/40/23/654194023.db2.gz AJZXHSQVNTZABA-VHSXEESVSA-N 1 1 377.825 2.245 20 5 GEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000919841538 654194029 /nfs/dbraw/zinc/19/40/29/654194029.db2.gz AJZXHSQVNTZABA-VHSXEESVSA-N 1 1 377.825 2.245 20 5 GEBDMO CC(C)[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000832765745 654293792 /nfs/dbraw/zinc/29/37/92/654293792.db2.gz ZLBUHBJADKLEJE-SNVBAGLBSA-N 1 1 379.841 2.491 20 5 GEBDMO CC(C)[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000832764940 654293806 /nfs/dbraw/zinc/29/38/06/654293806.db2.gz RRJOHWVQXXLHKZ-JTQLQIEISA-N 1 1 379.841 2.491 20 5 GEBDMO NC(=O)c1c[nH+]ccc1N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000804703647 654318467 /nfs/dbraw/zinc/31/84/67/654318467.db2.gz UAQIYSUQCZUGSY-UHFFFAOYSA-N 1 1 377.198 2.414 20 5 GEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ncc(Br)s1 ZINC000872240199 654318846 /nfs/dbraw/zinc/31/88/46/654318846.db2.gz PENMAUKMHTWNLL-SECBINFHSA-N 1 1 388.243 2.343 20 5 GEBDMO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000872781648 654395362 /nfs/dbraw/zinc/39/53/62/654395362.db2.gz WNKLXIXFOVUIQJ-RYUDHWBXSA-N 1 1 375.397 2.264 20 5 GEBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000872781648 654395366 /nfs/dbraw/zinc/39/53/66/654395366.db2.gz WNKLXIXFOVUIQJ-RYUDHWBXSA-N 1 1 375.397 2.264 20 5 GEBDMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000908029423 654598265 /nfs/dbraw/zinc/59/82/65/654598265.db2.gz JOFIINYJHFZCHB-SECBINFHSA-N 1 1 391.230 2.160 20 5 GEBDMO O=[N+]([O-])CC[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000929800105 654692240 /nfs/dbraw/zinc/69/22/40/654692240.db2.gz DDQSEXACQHKSBC-UHFFFAOYSA-N 1 1 376.194 2.411 20 5 GEBDMO COC1(OC)CCOC[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000931676313 654753084 /nfs/dbraw/zinc/75/30/84/654753084.db2.gz VDBVLQHPEFFXDN-CYBMUJFWSA-N 1 1 375.219 2.225 20 5 GEBDMO Cc1cnc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c([N+](=O)[O-])c1 ZINC001164814124 720211841 /nfs/dbraw/zinc/21/18/41/720211841.db2.gz STIQYEGZDJPXIO-UHFFFAOYSA-N 1 1 386.456 2.105 20 5 GEBDMO COC(=O)c1cnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001164723576 720360515 /nfs/dbraw/zinc/36/05/15/720360515.db2.gz IAACNQMAYGTLCE-CVEARBPZSA-N 1 1 383.408 2.025 20 5 GEBDMO CCOC(=O)c1ccnc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164732258 720469447 /nfs/dbraw/zinc/46/94/47/720469447.db2.gz YVNIVLKYWMVVPY-IRXDYDNUSA-N 1 1 397.435 2.415 20 5 GEBDMO Cc1cc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164737079 720665192 /nfs/dbraw/zinc/66/51/92/720665192.db2.gz CXXISUSRNQJIMZ-OLZOCXBDSA-N 1 1 390.831 2.084 20 5 GEBDMO O=[N+]([O-])c1ccc2ccnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164746381 720748257 /nfs/dbraw/zinc/74/82/57/720748257.db2.gz XSNDYZLFGXYOEY-IAGOWNOFSA-N 1 1 392.419 2.275 20 5 GEBDMO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c([N+](=O)[O-])c1 ZINC001164747771 720811779 /nfs/dbraw/zinc/81/17/79/720811779.db2.gz PJSHCQQYYUGBJG-RCCFBDPRSA-N 1 1 397.483 2.269 20 5 GEBDMO COCC[N@H+]1CCO[C@H]2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)CC[C@@H]2C1 ZINC001164858208 720848485 /nfs/dbraw/zinc/84/84/85/720848485.db2.gz ZCJYOZCWNUORQJ-APWZRJJASA-N 1 1 386.452 2.317 20 5 GEBDMO COc1nc(C)c([N+](=O)[O-])c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164860524 720963383 /nfs/dbraw/zinc/96/33/83/720963383.db2.gz QMLLZODZJMOHCV-CYBMUJFWSA-N 1 1 389.460 2.320 20 5 GEBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867624 721098697 /nfs/dbraw/zinc/09/86/97/721098697.db2.gz YURFMKSALSZBDJ-ROUUACIJSA-N 1 1 383.452 2.481 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(Cl)cc([N+](=O)[O-])n4)C[C@H]3C2)cn1 ZINC001164761713 721109942 /nfs/dbraw/zinc/10/99/42/721109942.db2.gz APLHYQJOQFLDSU-ZIAGYGMSSA-N 1 1 376.848 2.335 20 5 GEBDMO Cc1cnc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c([N+](=O)[O-])c1 ZINC001164886744 721383477 /nfs/dbraw/zinc/38/34/77/721383477.db2.gz GAYSTFARLHCTIX-PXNSSMCTSA-N 1 1 389.500 2.064 20 5 GEBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])C[C@H]21 ZINC001165027670 721800831 /nfs/dbraw/zinc/80/08/31/721800831.db2.gz XFMWWIWENSCMGL-KFKAGJAMSA-N 1 1 383.452 2.360 20 5 GEBDMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001164934770 721883170 /nfs/dbraw/zinc/88/31/70/721883170.db2.gz TXIIASJVWPSCNL-OALUTQOASA-N 1 1 382.468 2.266 20 5 GEBDMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001164934770 721883171 /nfs/dbraw/zinc/88/31/71/721883171.db2.gz TXIIASJVWPSCNL-OALUTQOASA-N 1 1 382.468 2.266 20 5 GEBDMO O=[N+]([O-])c1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(F)c1 ZINC001164982544 722110060 /nfs/dbraw/zinc/11/00/60/722110060.db2.gz WZROOKZCQFBGHA-MAUKXSAKSA-N 1 1 387.415 2.251 20 5 GEBDMO C[N@@H+](CCc1ccc(Br)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173708509 532027578 /nfs/dbraw/zinc/02/75/78/532027578.db2.gz JOAZCWYMNSVSNO-OAHLLOKOSA-N 1 1 383.246 2.089 20 5 GEBDMO Cc1c(Br)cc(S(=O)(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000123976835 532111715 /nfs/dbraw/zinc/11/17/15/532111715.db2.gz FGPUCHSBVQHYHM-DTORHVGOSA-N 1 1 392.275 2.037 20 5 GEBDMO Cc1c(Br)cc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000127941147 532158776 /nfs/dbraw/zinc/15/87/76/532158776.db2.gz NORMDQTTXYCZKF-YGRLFVJLSA-N 1 1 386.246 2.115 20 5 GEBDMO Cc1c(Br)cc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000127941147 532158779 /nfs/dbraw/zinc/15/87/79/532158779.db2.gz NORMDQTTXYCZKF-YGRLFVJLSA-N 1 1 386.246 2.115 20 5 GEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc(F)cc2Cl)cc1 ZINC000135972331 532281148 /nfs/dbraw/zinc/28/11/48/532281148.db2.gz KJALTRVURIBNSE-UHFFFAOYSA-N 1 1 387.820 2.455 20 5 GEBDMO C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000591242849 532402607 /nfs/dbraw/zinc/40/26/07/532402607.db2.gz MYHFIAGLWGXUQW-AWEZNQCLSA-N 1 1 396.241 2.012 20 5 GEBDMO C[N@@H+]1C[C@H]2CN(Cc3cc(I)cc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000522037138 532522360 /nfs/dbraw/zinc/52/23/60/532522360.db2.gz FCSMKHYYRXGIPJ-TXEJJXNPSA-N 1 1 387.221 2.193 20 5 GEBDMO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ncc(Br)cn1 ZINC000432995703 532551823 /nfs/dbraw/zinc/55/18/23/532551823.db2.gz YFLNGIKGRXAAPA-MFKMUULPSA-N 1 1 397.229 2.238 20 5 GEBDMO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000595747825 532571707 /nfs/dbraw/zinc/57/17/07/532571707.db2.gz GZVQIVCFSIHMMR-SMDDNHRTSA-N 1 1 389.239 2.124 20 5 GEBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000595747825 532571712 /nfs/dbraw/zinc/57/17/12/532571712.db2.gz GZVQIVCFSIHMMR-SMDDNHRTSA-N 1 1 389.239 2.124 20 5 GEBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)C[C@@H]21 ZINC000375710746 532577376 /nfs/dbraw/zinc/57/73/76/532577376.db2.gz MWAIPPXZVIYTIA-CABZTGNLSA-N 1 1 377.825 2.102 20 5 GEBDMO CCC[N@@H+](CC)CCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000474187370 532609631 /nfs/dbraw/zinc/60/96/31/532609631.db2.gz DEWTVBZCTIBXDE-UHFFFAOYSA-N 1 1 394.291 2.368 20 5 GEBDMO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1 ZINC000376644990 532622796 /nfs/dbraw/zinc/62/27/96/532622796.db2.gz SUMSFXNYDGFURK-JTQLQIEISA-N 1 1 377.825 2.246 20 5 GEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H]2c2cccc(Br)c2)c1 ZINC000378642538 532700446 /nfs/dbraw/zinc/70/04/46/532700446.db2.gz GKIMILLMEVHIPS-HUUCEWRRSA-N 1 1 381.230 2.362 20 5 GEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H]2c2cccc(Br)c2)c1 ZINC000378642538 532700453 /nfs/dbraw/zinc/70/04/53/532700453.db2.gz GKIMILLMEVHIPS-HUUCEWRRSA-N 1 1 381.230 2.362 20 5 GEBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301278345 532747625 /nfs/dbraw/zinc/74/76/25/532747625.db2.gz PIUYRQVVAVATFQ-CQSZACIVSA-N 1 1 397.273 2.100 20 5 GEBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301707606 532757158 /nfs/dbraw/zinc/75/71/58/532757158.db2.gz JCJIHVDJWRHUMV-HNNXBMFYSA-N 1 1 397.273 2.100 20 5 GEBDMO C[C@@H]1C[N@H+](C2CCN(c3c(Br)cncc3[N+](=O)[O-])CC2)CCO1 ZINC000301988659 532764715 /nfs/dbraw/zinc/76/47/15/532764715.db2.gz NYMXGOCECKGQSE-LLVKDONJSA-N 1 1 385.262 2.442 20 5 GEBDMO C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000290738509 532888188 /nfs/dbraw/zinc/88/81/88/532888188.db2.gz LUNJQMBZWBFBOH-MFKMUULPSA-N 1 1 391.852 2.492 20 5 GEBDMO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000290759388 532888777 /nfs/dbraw/zinc/88/87/77/532888777.db2.gz NJKBXFZCCOUAEK-UWVGGRQHSA-N 1 1 379.841 2.491 20 5 GEBDMO COCCOCCOCC[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000276202397 532890612 /nfs/dbraw/zinc/89/06/12/532890612.db2.gz NWOYOIKCZYUHRH-UHFFFAOYSA-N 1 1 391.262 2.469 20 5 GEBDMO Cc1cc(N2CCC[C@H](Nc3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])C2)nc(C)[nH+]1 ZINC000737271008 598672423 /nfs/dbraw/zinc/67/24/23/598672423.db2.gz HRHHMJZSDGOBIW-AWEZNQCLSA-N 1 1 395.427 2.263 20 5 GEBDMO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccc(F)cc3-c3nn[nH]n3)CC2)c1 ZINC000738368671 598681457 /nfs/dbraw/zinc/68/14/57/598681457.db2.gz HZLCSCNMXQANNV-UHFFFAOYSA-N 1 1 383.387 2.236 20 5 GEBDMO CC[N@@H+](CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(C)C ZINC000444176355 649939413 /nfs/dbraw/zinc/93/94/13/649939413.db2.gz OPFSUTWVISKAFZ-UHFFFAOYSA-N 1 1 394.291 2.366 20 5 GEBDMO O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCC[N@H+]1CCCOCC1 ZINC000445667758 649963408 /nfs/dbraw/zinc/96/34/08/649963408.db2.gz HZBXJZYAYIASRV-UHFFFAOYSA-N 1 1 395.257 2.462 20 5 GEBDMO C[C@@H]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000820727152 606713500 /nfs/dbraw/zinc/71/35/00/606713500.db2.gz HTXYWNDARRVAQW-CQSZACIVSA-N 1 1 394.439 2.271 20 5 GEBDMO C[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000820280929 607166826 /nfs/dbraw/zinc/16/68/26/607166826.db2.gz PNTULIMLZXPEJR-SNVBAGLBSA-N 1 1 386.441 2.090 20 5 GEBDMO CCCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447018690 649994291 /nfs/dbraw/zinc/99/42/91/649994291.db2.gz VYKMXLKDQTYKCP-UHFFFAOYSA-N 1 1 394.291 2.368 20 5 GEBDMO COC(=O)[C@@H]([NH2+]CCCNc1ncc(Br)cc1[N+](=O)[O-])C(C)C ZINC000450603600 650067981 /nfs/dbraw/zinc/06/79/81/650067981.db2.gz UICFATROGJPZRG-LBPRGKRZSA-N 1 1 389.250 2.342 20 5 GEBDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1(S(C)(=O)=O)CC1 ZINC000504438259 650431324 /nfs/dbraw/zinc/43/13/24/650431324.db2.gz ISEMTTUCBJIRFQ-VHSXEESVSA-N 1 1 389.861 2.131 20 5 GEBDMO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CC[N@H+](C2CC2)C1 ZINC000532574522 650750440 /nfs/dbraw/zinc/75/04/40/650750440.db2.gz CBQYJTGTVLRYPC-ZDUSSCGKSA-N 1 1 397.273 2.464 20 5 GEBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000045809840 642598070 /nfs/dbraw/zinc/59/80/70/642598070.db2.gz PDDPGLDYWZDXLM-CYBMUJFWSA-N 1 1 385.467 2.246 20 5 GEBDMO COc1cccc([C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)[NH+](C)C)c1 ZINC000066327379 642908740 /nfs/dbraw/zinc/90/87/40/642908740.db2.gz VMDBGAWXAMJMOT-CYBMUJFWSA-N 1 1 385.467 2.246 20 5 GEBDMO CC[N@H+](CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)CCC(F)(F)F ZINC000494381348 650805686 /nfs/dbraw/zinc/80/56/86/650805686.db2.gz AFXIVTBPKJNOLG-UHFFFAOYSA-N 1 1 383.392 2.456 20 5 GEBDMO CC[N@@H+](CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)CCC(F)(F)F ZINC000494381348 650805688 /nfs/dbraw/zinc/80/56/88/650805688.db2.gz AFXIVTBPKJNOLG-UHFFFAOYSA-N 1 1 383.392 2.456 20 5 GEBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000108874321 643284344 /nfs/dbraw/zinc/28/43/44/643284344.db2.gz YEDSTKJISZVKKL-UHFFFAOYSA-N 1 1 392.275 2.074 20 5 GEBDMO CC[N@H+]1CCCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000108874321 643284348 /nfs/dbraw/zinc/28/43/48/643284348.db2.gz YEDSTKJISZVKKL-UHFFFAOYSA-N 1 1 392.275 2.074 20 5 GEBDMO C[N@H+]1CC[C@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000499155845 650875086 /nfs/dbraw/zinc/87/50/86/650875086.db2.gz JQSYPHKXYVZWTP-VIFPVBQESA-N 1 1 399.274 2.447 20 5 GEBDMO Cc1c(Br)c(N2CCC([N@@H+](C)CCCO)CC2)ncc1[N+](=O)[O-] ZINC000541577296 650878066 /nfs/dbraw/zinc/87/80/66/650878066.db2.gz QJFSHGUYSBMBFK-UHFFFAOYSA-N 1 1 387.278 2.344 20 5 GEBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000152112544 643963422 /nfs/dbraw/zinc/96/34/22/643963422.db2.gz TUTRESJYNRRTCG-UHFFFAOYSA-N 1 1 383.857 2.457 20 5 GEBDMO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)[N@@H+](C)C1CC1 ZINC000170787966 644287076 /nfs/dbraw/zinc/28/70/76/644287076.db2.gz FPZLGLXLHAHFES-VIFPVBQESA-N 1 1 392.275 2.118 20 5 GEBDMO CN(C)c1[nH+]cc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])n1C ZINC000267465989 645904838 /nfs/dbraw/zinc/90/48/38/645904838.db2.gz LYXCKFLEXRLXMW-UHFFFAOYSA-N 1 1 382.218 2.087 20 5 GEBDMO CCN1CC[NH+](C[C@H](C)CNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000268454887 645970157 /nfs/dbraw/zinc/97/01/57/645970157.db2.gz BTFWPNLHZYULGM-GFCCVEGCSA-N 1 1 386.294 2.438 20 5 GEBDMO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269485199 646039007 /nfs/dbraw/zinc/03/90/07/646039007.db2.gz QGOUOTKLSAIBAA-LLVKDONJSA-N 1 1 392.275 2.072 20 5 GEBDMO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269485199 646039012 /nfs/dbraw/zinc/03/90/12/646039012.db2.gz QGOUOTKLSAIBAA-LLVKDONJSA-N 1 1 392.275 2.072 20 5 GEBDMO O=[N+]([O-])c1cnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c(Br)c1 ZINC000283649463 646825467 /nfs/dbraw/zinc/82/54/67/646825467.db2.gz WRONTXFAHHMLHV-LBPRGKRZSA-N 1 1 385.262 2.301 20 5 GEBDMO C[N@@H+](CCCCNc1c(I)cncc1[N+](=O)[O-])C1CC1 ZINC000418959997 648325503 /nfs/dbraw/zinc/32/55/03/648325503.db2.gz DUXUGHVBAKJSTL-UHFFFAOYSA-N 1 1 390.225 2.303 20 5 GEBDMO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)c1 ZINC000425359108 648673917 /nfs/dbraw/zinc/67/39/17/648673917.db2.gz SEIKYCZRFHPRJP-SNVBAGLBSA-N 1 1 399.192 2.307 20 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651913422 /nfs/dbraw/zinc/91/34/22/651913422.db2.gz WPTFCCXWPTZQPQ-UHFFFAOYSA-N 1 1 383.857 2.457 20 5 GEBDMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000574322941 652016253 /nfs/dbraw/zinc/01/62/53/652016253.db2.gz VNWWHJDDKYXPAL-LLVKDONJSA-N 1 1 381.376 2.376 20 5 GEBDMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000594965435 652698523 /nfs/dbraw/zinc/69/85/23/652698523.db2.gz IEFFMAPBDIJTSN-DZGCQCFKSA-N 1 1 382.463 2.225 20 5 GEBDMO CCN1CC[NH+](CCCNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599066275 652847157 /nfs/dbraw/zinc/84/71/57/652847157.db2.gz SQDPPBMLGFVBIP-UHFFFAOYSA-N 1 1 399.289 2.115 20 5 GEBDMO C[C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000599543807 652877366 /nfs/dbraw/zinc/87/73/66/652877366.db2.gz GSILHFCIFHIKBH-LLVKDONJSA-N 1 1 386.246 2.055 20 5 GEBDMO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H]1C[C@@H](O)C1 ZINC000599655786 652882540 /nfs/dbraw/zinc/88/25/40/652882540.db2.gz PHBIBDBUDJQUKG-GSJFWJNXSA-N 1 1 376.194 2.402 20 5 GEBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000807931988 653212088 /nfs/dbraw/zinc/21/20/88/653212088.db2.gz MUEZVYNZDQXPMV-UHFFFAOYSA-N 1 1 398.192 2.182 20 5 GEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809817532 653300413 /nfs/dbraw/zinc/30/04/13/653300413.db2.gz DUFYNYJOKMFYNO-JTQLQIEISA-N 1 1 379.841 2.350 20 5 GEBDMO C[N@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)CC1(C)COC1 ZINC000863296154 653705730 /nfs/dbraw/zinc/70/57/30/653705730.db2.gz JWRNZRXWIBTTSN-UHFFFAOYSA-N 1 1 384.230 2.239 20 5 GEBDMO C[N@@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)CC1(C)COC1 ZINC000863296154 653705733 /nfs/dbraw/zinc/70/57/33/653705733.db2.gz JWRNZRXWIBTTSN-UHFFFAOYSA-N 1 1 384.230 2.239 20 5 GEBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)C2)C1 ZINC000820609671 653777718 /nfs/dbraw/zinc/77/77/18/653777718.db2.gz RRKHRNSYLYSBDE-MRXNPFEDSA-N 1 1 397.273 2.497 20 5 GEBDMO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000884956284 653897840 /nfs/dbraw/zinc/89/78/40/653897840.db2.gz ZQKSOAUMWPWYCL-NXEZZACHSA-N 1 1 377.825 2.292 20 5 GEBDMO Cc1c(Br)c(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)ncc1[N+](=O)[O-] ZINC000897220584 653911138 /nfs/dbraw/zinc/91/11/38/653911138.db2.gz BSYMBRWPOZYHIL-RYUDHWBXSA-N 1 1 385.262 2.096 20 5 GEBDMO Cc1c(Br)c(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)ncc1[N+](=O)[O-] ZINC000897220584 653911143 /nfs/dbraw/zinc/91/11/43/653911143.db2.gz BSYMBRWPOZYHIL-RYUDHWBXSA-N 1 1 385.262 2.096 20 5 GEBDMO C[N@H+](C[C@@H]1CCOC1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795438595 653952702 /nfs/dbraw/zinc/95/27/02/653952702.db2.gz OATZZBZJROJQRH-JTQLQIEISA-N 1 1 384.230 2.239 20 5 GEBDMO C[N@@H+](C[C@@H]1CCOC1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795438595 653952709 /nfs/dbraw/zinc/95/27/09/653952709.db2.gz OATZZBZJROJQRH-JTQLQIEISA-N 1 1 384.230 2.239 20 5 GEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795837509 653969686 /nfs/dbraw/zinc/96/96/86/653969686.db2.gz IZBZVQUOFNTIFE-JTQLQIEISA-N 1 1 379.841 2.350 20 5 GEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCS(=O)(=O)CC(F)(F)F)c1 ZINC000850363863 654073032 /nfs/dbraw/zinc/07/30/32/654073032.db2.gz LJRZFIACRZAVNA-UHFFFAOYSA-N 1 1 392.302 2.263 20 5 GEBDMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889770373 654171354 /nfs/dbraw/zinc/17/13/54/654171354.db2.gz ZVATXQULKOAUAH-LSDHHAIUSA-N 1 1 398.257 2.029 20 5 GEBDMO CCC[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CC(=O)N(C)C1=O ZINC000801586047 654200836 /nfs/dbraw/zinc/20/08/36/654200836.db2.gz YTMZKNUOTFUXPU-ZDUSSCGKSA-N 1 1 384.230 2.327 20 5 GEBDMO CCC[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CC(=O)N(C)C1=O ZINC000801586047 654200843 /nfs/dbraw/zinc/20/08/43/654200843.db2.gz YTMZKNUOTFUXPU-ZDUSSCGKSA-N 1 1 384.230 2.327 20 5 GEBDMO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C[C@@H]21 ZINC000832273613 654256721 /nfs/dbraw/zinc/25/67/21/654256721.db2.gz UNEVMCKBEGNWTC-PELKAZGASA-N 1 1 380.253 2.226 20 5 GEBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C[C@@H]21 ZINC000832273613 654256725 /nfs/dbraw/zinc/25/67/25/654256725.db2.gz UNEVMCKBEGNWTC-PELKAZGASA-N 1 1 380.253 2.226 20 5 GEBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC[N@H+](C2CC2)C1 ZINC000832949800 654300997 /nfs/dbraw/zinc/30/09/97/654300997.db2.gz PCYHAIPXCQTOGK-JTQLQIEISA-N 1 1 383.246 2.309 20 5 GEBDMO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000872666359 654387892 /nfs/dbraw/zinc/38/78/92/654387892.db2.gz YCYMFFFNJZVXBQ-VXGBXAGGSA-N 1 1 377.825 2.245 20 5 GEBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000872666359 654387895 /nfs/dbraw/zinc/38/78/95/654387895.db2.gz YCYMFFFNJZVXBQ-VXGBXAGGSA-N 1 1 377.825 2.245 20 5 GEBDMO O=[N+]([O-])c1ccc(Br)c(CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000934271273 654842193 /nfs/dbraw/zinc/84/21/93/654842193.db2.gz FCIOQOXPMODHNE-CVEARBPZSA-N 1 1 384.274 2.388 20 5 GEBDMO C[N@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)C[C@H]21 ZINC001164669920 719469405 /nfs/dbraw/zinc/46/94/05/719469405.db2.gz VXZSLQPCXNKCCF-HZPDHXFCSA-N 1 1 375.816 2.224 20 5 GEBDMO COC(=O)c1cnc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001164723582 720360777 /nfs/dbraw/zinc/36/07/77/720360777.db2.gz IAACNQMAYGTLCE-JKSUJKDBSA-N 1 1 383.408 2.025 20 5 GEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164729497 720483728 /nfs/dbraw/zinc/48/37/28/720483728.db2.gz RFCALSNDDOCCBN-HOTGVXAUSA-N 1 1 383.408 2.025 20 5 GEBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc([N+](=O)[O-])c(N)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834955 720561226 /nfs/dbraw/zinc/56/12/26/720561226.db2.gz GCGIYZXULNMQGD-HRCADAONSA-N 1 1 385.472 2.146 20 5 GEBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc([N+](=O)[O-])c(N)n3)CC[C@@H]21 ZINC001164834961 720562226 /nfs/dbraw/zinc/56/22/26/720562226.db2.gz GCGIYZXULNMQGD-PMPSAXMXSA-N 1 1 385.472 2.146 20 5 GEBDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)c(C)cc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164849277 720847528 /nfs/dbraw/zinc/84/75/28/720847528.db2.gz BWBMKNPNNQBSEE-UKRRQHHQSA-N 1 1 384.864 2.125 20 5 GEBDMO COc1nc(C)c([N+](=O)[O-])c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164860617 720961938 /nfs/dbraw/zinc/96/19/38/720961938.db2.gz QMLLZODZJMOHCV-ZDUSSCGKSA-N 1 1 389.460 2.320 20 5 GEBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])[C@H]2C ZINC001164856127 720966279 /nfs/dbraw/zinc/96/62/79/720966279.db2.gz AOPDFMOMMRXWAT-LBPRGKRZSA-N 1 1 394.863 2.500 20 5 GEBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867625 721099617 /nfs/dbraw/zinc/09/96/17/721099617.db2.gz YURFMKSALSZBDJ-ZWKOTPCHSA-N 1 1 383.452 2.481 20 5 GEBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)[C@H]2CCCO[C@H]12 ZINC001164803763 721545607 /nfs/dbraw/zinc/54/56/07/721545607.db2.gz IZILCCJGSJUOSA-KSZLIROESA-N 1 1 387.415 2.392 20 5 GEBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)[C@H]2CCCO[C@H]12 ZINC001164803763 721545610 /nfs/dbraw/zinc/54/56/10/721545610.db2.gz IZILCCJGSJUOSA-KSZLIROESA-N 1 1 387.415 2.392 20 5 GEBDMO CSc1nc(Cl)nc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1[N+](=O)[O-] ZINC001164967350 722072590 /nfs/dbraw/zinc/07/25/90/722072590.db2.gz OAGKGXYWTKXWCS-PHIMTYICSA-N 1 1 385.877 2.060 20 5 GEBDMO CSc1nc(Cl)nc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c1[N+](=O)[O-] ZINC001164967350 722072591 /nfs/dbraw/zinc/07/25/91/722072591.db2.gz OAGKGXYWTKXWCS-PHIMTYICSA-N 1 1 385.877 2.060 20 5 GEBDMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000171421884 531906468 /nfs/dbraw/zinc/90/64/68/531906468.db2.gz HZZZSEYRKJTCGZ-NSHDSACASA-N 1 1 392.275 2.120 20 5 GEBDMO COC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000114062308 531954282 /nfs/dbraw/zinc/95/42/82/531954282.db2.gz JTMGXINFANKKJF-SECBINFHSA-N 1 1 388.218 2.037 20 5 GEBDMO COC(=O)[C@H](C)C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000114062308 531954287 /nfs/dbraw/zinc/95/42/87/531954287.db2.gz JTMGXINFANKKJF-SECBINFHSA-N 1 1 388.218 2.037 20 5 GEBDMO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176194057 532129396 /nfs/dbraw/zinc/12/93/96/532129396.db2.gz YCVSSBHQPNPHGD-UHFFFAOYSA-N 1 1 396.245 2.433 20 5 GEBDMO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176194057 532129399 /nfs/dbraw/zinc/12/93/99/532129399.db2.gz YCVSSBHQPNPHGD-UHFFFAOYSA-N 1 1 396.245 2.433 20 5 GEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2cc(Cl)ccc2F)cc1 ZINC000179008775 532220210 /nfs/dbraw/zinc/22/02/10/532220210.db2.gz JZPBZWWBRKJLPT-UHFFFAOYSA-N 1 1 387.820 2.455 20 5 GEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+]3CCC2CC3)c(C(F)(F)F)c1 ZINC000191096744 532359493 /nfs/dbraw/zinc/35/94/93/532359493.db2.gz NAQHWEKMHDCMQO-UHFFFAOYSA-N 1 1 379.360 2.082 20 5 GEBDMO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000294979895 532394526 /nfs/dbraw/zinc/39/45/26/532394526.db2.gz GMZRHRPODQNBKF-LBPRGKRZSA-N 1 1 384.483 2.136 20 5 GEBDMO C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000591242850 532402459 /nfs/dbraw/zinc/40/24/59/532402459.db2.gz MYHFIAGLWGXUQW-CQSZACIVSA-N 1 1 396.241 2.012 20 5 GEBDMO CN1CCC([N@@H+]2CC[C@@H](Nc3ncc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000373112207 532431893 /nfs/dbraw/zinc/43/18/93/532431893.db2.gz ZIUUENQVWIFUEV-GFCCVEGCSA-N 1 1 384.278 2.333 20 5 GEBDMO CN1CCC([N@H+]2CC[C@@H](Nc3ncc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000373112207 532431900 /nfs/dbraw/zinc/43/19/00/532431900.db2.gz ZIUUENQVWIFUEV-GFCCVEGCSA-N 1 1 384.278 2.333 20 5 GEBDMO CCc1nc(CNCc2cc(I)cc([N+](=O)[O-])c2)n[nH]1 ZINC000296033622 532495218 /nfs/dbraw/zinc/49/52/18/532495218.db2.gz NMZJMVWXIKONHM-UHFFFAOYSA-N 1 1 387.181 2.170 20 5 GEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000375048772 532529173 /nfs/dbraw/zinc/52/91/73/532529173.db2.gz ZSEDUOARTYXKTK-YPMHNXCESA-N 1 1 398.257 2.259 20 5 GEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000283292436 532530972 /nfs/dbraw/zinc/53/09/72/532530972.db2.gz CNGOZZGGCIYTDR-UHFFFAOYSA-N 1 1 396.245 2.395 20 5 GEBDMO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000301286658 532747648 /nfs/dbraw/zinc/74/76/48/532747648.db2.gz VOAIQBKNNIMAST-NSHDSACASA-N 1 1 375.397 2.266 20 5 GEBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301824455 532760193 /nfs/dbraw/zinc/76/01/93/532760193.db2.gz NVOADIZZXNVUOB-AWEZNQCLSA-N 1 1 397.273 2.276 20 5 GEBDMO Cn1c[nH+]cc1CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000302185900 532769219 /nfs/dbraw/zinc/76/92/19/532769219.db2.gz UEGUJZSWOHOIDD-UHFFFAOYSA-N 1 1 378.332 2.276 20 5 GEBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000359996625 206276862 /nfs/dbraw/zinc/27/68/62/206276862.db2.gz RPGURXGUKHNYGV-FVQBIDKESA-N 1 1 379.461 2.417 20 5 GEBDMO COc1ccccc1N1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000024213901 206299020 /nfs/dbraw/zinc/29/90/20/206299020.db2.gz ZKRCQIASNAMCRK-QGZVFWFLSA-N 1 1 387.436 2.165 20 5 GEBDMO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289504891 532856814 /nfs/dbraw/zinc/85/68/14/532856814.db2.gz KZPVGFOBUILNQO-AYLIAGHASA-N 1 1 396.250 2.398 20 5 GEBDMO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289504891 532856815 /nfs/dbraw/zinc/85/68/15/532856815.db2.gz KZPVGFOBUILNQO-AYLIAGHASA-N 1 1 396.250 2.398 20 5 GEBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737285811 598498062 /nfs/dbraw/zinc/49/80/62/598498062.db2.gz VMMDUPNNTGSFDP-UHFFFAOYSA-N 1 1 394.439 2.191 20 5 GEBDMO O=[N+]([O-])c1cnc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c(-c2nn[nH]n2)c1 ZINC000823651123 599397808 /nfs/dbraw/zinc/39/78/08/599397808.db2.gz GOCBZZLQKNMLDA-QPJJXVBHSA-N 1 1 392.423 2.005 20 5 GEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000820570702 599562956 /nfs/dbraw/zinc/56/29/56/599562956.db2.gz PIKPRFAPEVMOJC-ZDUSSCGKSA-N 1 1 380.412 2.053 20 5 GEBDMO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000826183122 607518136 /nfs/dbraw/zinc/51/81/36/607518136.db2.gz FDLLXPYCBBEGDA-UHFFFAOYSA-N 1 1 395.423 2.106 20 5 GEBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000823648345 607176830 /nfs/dbraw/zinc/17/68/30/607176830.db2.gz VJQRVJNJVDGJQP-SFHVURJKSA-N 1 1 380.408 2.473 20 5 GEBDMO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(-c2nn[nH]n2)c1C ZINC000826341843 608469704 /nfs/dbraw/zinc/46/97/04/608469704.db2.gz RKHRNCSEXSIWQO-JTQLQIEISA-N 1 1 385.384 2.274 20 5 GEBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[N@H+]1C ZINC000447028584 649994668 /nfs/dbraw/zinc/99/46/68/649994668.db2.gz OLTQDFHWIJXZGN-ZJUUUORDSA-N 1 1 381.376 2.375 20 5 GEBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[N@H+]1C ZINC000447028581 649994792 /nfs/dbraw/zinc/99/47/92/649994792.db2.gz OLTQDFHWIJXZGN-UWVGGRQHSA-N 1 1 381.376 2.375 20 5 GEBDMO C[N@H+]1CC[C@@H]2CN(Cc3cc(I)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000449520567 650042212 /nfs/dbraw/zinc/04/22/12/650042212.db2.gz FUVRTCLCSOWFOG-RISCZKNCSA-N 1 1 387.221 2.335 20 5 GEBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452784791 650197445 /nfs/dbraw/zinc/19/74/45/650197445.db2.gz PURBFSPNJNZWPN-ZDUSSCGKSA-N 1 1 387.889 2.303 20 5 GEBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000462484182 650481698 /nfs/dbraw/zinc/48/16/98/650481698.db2.gz JJXCNZVYKXWGFU-MWLCHTKSSA-N 1 1 392.275 2.118 20 5 GEBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000045809836 642598198 /nfs/dbraw/zinc/59/81/98/642598198.db2.gz PDDPGLDYWZDXLM-ZDUSSCGKSA-N 1 1 385.467 2.246 20 5 GEBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000113267789 643388038 /nfs/dbraw/zinc/38/80/38/643388038.db2.gz DYWAVUSBCGUNQE-DGCLKSJQSA-N 1 1 397.273 2.464 20 5 GEBDMO CC(C)(C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)NS(C)(=O)=O ZINC000113340598 643395071 /nfs/dbraw/zinc/39/50/71/643395071.db2.gz UXBDZIXTAXGCKD-UHFFFAOYSA-N 1 1 384.483 2.136 20 5 GEBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCNS(=O)(=O)c2cccs2)c1 ZINC000122255718 643652187 /nfs/dbraw/zinc/65/21/87/643652187.db2.gz FXFPXNOCFWNNAG-UHFFFAOYSA-N 1 1 375.859 2.378 20 5 GEBDMO Cc1c(Br)c(N2CC[NH+](C[C@@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC000544395887 650941172 /nfs/dbraw/zinc/94/11/72/650941172.db2.gz XBWICCJZRPTXCX-LBPRGKRZSA-N 1 1 385.262 2.219 20 5 GEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH+]2CCCCC2)cc1Br ZINC000193885190 645305131 /nfs/dbraw/zinc/30/51/31/645305131.db2.gz ZBUAOONLUSDBAO-UHFFFAOYSA-N 1 1 392.275 2.122 20 5 GEBDMO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000268155369 645948584 /nfs/dbraw/zinc/94/85/84/645948584.db2.gz NNXPCEMNAVNDJN-PWSUYJOCSA-N 1 1 377.413 2.368 20 5 GEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000268155369 645948588 /nfs/dbraw/zinc/94/85/88/645948588.db2.gz NNXPCEMNAVNDJN-PWSUYJOCSA-N 1 1 377.413 2.368 20 5 GEBDMO CN(C)c1[nH+]cc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1C ZINC000269282884 646025412 /nfs/dbraw/zinc/02/54/12/646025412.db2.gz QRXPYIZZGXPYIH-UHFFFAOYSA-N 1 1 382.218 2.087 20 5 GEBDMO C[N@H+]1CCN(CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1(C)C ZINC000281772494 646797820 /nfs/dbraw/zinc/79/78/20/646797820.db2.gz MGYMUCONQXLIDF-UHFFFAOYSA-N 1 1 399.289 2.113 20 5 GEBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365542356 647675287 /nfs/dbraw/zinc/67/52/87/647675287.db2.gz ZBPPEZMYXJXDTP-OUCADQQQSA-N 1 1 385.873 2.353 20 5 GEBDMO 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 647675420 /nfs/dbraw/zinc/67/54/20/647675420.db2.gz FGIVBBNVBQFHNP-WHOFXGATSA-N 1 1 385.873 2.353 20 5 GEBDMO O=[N+]([O-])c1cc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)cs1 ZINC000441377183 648826275 /nfs/dbraw/zinc/82/62/75/648826275.db2.gz FUPQBNPNAKOPBY-UHFFFAOYSA-N 1 1 377.394 2.003 20 5 GEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)c1 ZINC000551092806 651117939 /nfs/dbraw/zinc/11/79/39/651117939.db2.gz KMHFNEYQFSLQCL-ZFWWWQNUSA-N 1 1 396.245 2.147 20 5 GEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)c1 ZINC000551092806 651117941 /nfs/dbraw/zinc/11/79/41/651117941.db2.gz KMHFNEYQFSLQCL-ZFWWWQNUSA-N 1 1 396.245 2.147 20 5 GEBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000559282791 651294789 /nfs/dbraw/zinc/29/47/89/651294789.db2.gz YSYNICARIATLDP-NTZNESFSSA-N 1 1 389.246 2.206 20 5 GEBDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000559282791 651294798 /nfs/dbraw/zinc/29/47/98/651294798.db2.gz YSYNICARIATLDP-NTZNESFSSA-N 1 1 389.246 2.206 20 5 GEBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000610572494 651671348 /nfs/dbraw/zinc/67/13/48/651671348.db2.gz OTCWKACWCMLGNE-LBPRGKRZSA-N 1 1 386.246 2.198 20 5 GEBDMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000610572472 651671648 /nfs/dbraw/zinc/67/16/48/651671648.db2.gz IKGWJZSGZKJERX-UKRRQHHQSA-N 1 1 398.257 2.029 20 5 GEBDMO Cc1nc([C@@H](C)[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000611012165 651699458 /nfs/dbraw/zinc/69/94/58/651699458.db2.gz HUZVANSDGVWFAZ-SNVBAGLBSA-N 1 1 384.483 2.297 20 5 GEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000585700715 652534125 /nfs/dbraw/zinc/53/41/25/652534125.db2.gz OBHOKULQJHENPA-QMTHXVAHSA-N 1 1 386.246 2.115 20 5 GEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000585700715 652534127 /nfs/dbraw/zinc/53/41/27/652534127.db2.gz OBHOKULQJHENPA-QMTHXVAHSA-N 1 1 386.246 2.115 20 5 GEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599338104 652862118 /nfs/dbraw/zinc/86/21/18/652862118.db2.gz BKAMUSWZRKYRAY-LLVKDONJSA-N 1 1 386.246 2.198 20 5 GEBDMO CN(C)c1[nH+]cc(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])n1C ZINC000599470249 652874966 /nfs/dbraw/zinc/87/49/66/652874966.db2.gz ZSWKCPSFKDGZEU-UHFFFAOYSA-N 1 1 382.218 2.087 20 5 GEBDMO C[C@@]1(C[NH+]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCCS1 ZINC000600107795 652904297 /nfs/dbraw/zinc/90/42/97/652904297.db2.gz YBUUZJZRUNOONG-INIZCTEOSA-N 1 1 385.511 2.187 20 5 GEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CC(Cc3ccccc3Br)C2)c1 ZINC000601962999 653133935 /nfs/dbraw/zinc/13/39/35/653133935.db2.gz IXQDXOWFPMRHTO-OAHLLOKOSA-N 1 1 395.257 2.089 20 5 GEBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](CC3CCSCC3)CC2)c1 ZINC000602435103 653180516 /nfs/dbraw/zinc/18/05/16/653180516.db2.gz SYRJYBIFUULNSQ-UHFFFAOYSA-N 1 1 385.511 2.044 20 5 GEBDMO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1Cl ZINC000809815580 653298545 /nfs/dbraw/zinc/29/85/45/653298545.db2.gz JRNCMWYETZPSGP-SNVBAGLBSA-N 1 1 377.825 2.150 20 5 GEBDMO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000809842894 653308791 /nfs/dbraw/zinc/30/87/91/653308791.db2.gz IPMRLGBSCRDAQV-JTQLQIEISA-N 1 1 379.841 2.492 20 5 GEBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000809842894 653308795 /nfs/dbraw/zinc/30/87/95/653308795.db2.gz IPMRLGBSCRDAQV-JTQLQIEISA-N 1 1 379.841 2.492 20 5 GEBDMO C[C@H]1CCC[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000780868106 653634370 /nfs/dbraw/zinc/63/43/70/653634370.db2.gz QKJSILASMDWXPT-JTQLQIEISA-N 1 1 392.275 2.120 20 5 GEBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000814990252 653642135 /nfs/dbraw/zinc/64/21/35/653642135.db2.gz JIMCIGVIEUNOFG-RYUDHWBXSA-N 1 1 377.825 2.292 20 5 GEBDMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842826304 653769848 /nfs/dbraw/zinc/76/98/48/653769848.db2.gz LJMJJZAXKPEWQZ-LLVKDONJSA-N 1 1 392.275 2.120 20 5 GEBDMO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000895193594 653822144 /nfs/dbraw/zinc/82/21/44/653822144.db2.gz XQVQGXPECQZKAB-WDEREUQCSA-N 1 1 375.397 2.264 20 5 GEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000895193594 653822147 /nfs/dbraw/zinc/82/21/47/653822147.db2.gz XQVQGXPECQZKAB-WDEREUQCSA-N 1 1 375.397 2.264 20 5 GEBDMO CCCN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000823499974 653870165 /nfs/dbraw/zinc/87/01/65/653870165.db2.gz QTRKEICPHJQKHM-NSHDSACASA-N 1 1 385.262 2.496 20 5 GEBDMO CN([C@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000867424528 653930910 /nfs/dbraw/zinc/93/09/10/653930910.db2.gz QNGSHBAUXCFIAJ-ZDUSSCGKSA-N 1 1 377.825 2.102 20 5 GEBDMO CC[N@H+]1CC[C@H](CNC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000795415893 653951014 /nfs/dbraw/zinc/95/10/14/653951014.db2.gz RFSQYBBOTIJRKM-GFCCVEGCSA-N 1 1 399.289 2.252 20 5 GEBDMO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000848374568 653972520 /nfs/dbraw/zinc/97/25/20/653972520.db2.gz INYKWBAFRBUBDP-UHFFFAOYSA-N 1 1 380.202 2.043 20 5 GEBDMO C[C@@H](CNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000796073313 653984665 /nfs/dbraw/zinc/98/46/65/653984665.db2.gz VRPHEVJJRDGPBV-NSHDSACASA-N 1 1 399.289 2.392 20 5 GEBDMO C[N@H+]1CC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CC[C@@H]21 ZINC000827308314 653985253 /nfs/dbraw/zinc/98/52/53/653985253.db2.gz BKNOVGRHMCUXGV-WFASDCNBSA-N 1 1 382.258 2.452 20 5 GEBDMO CN(CC(=O)NC[C@@H]1CCC[N@@H+](C)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796275802 653994853 /nfs/dbraw/zinc/99/48/53/653994853.db2.gz PWCYBDWILYZNNY-LBPRGKRZSA-N 1 1 399.289 2.252 20 5 GEBDMO C[C@H]1CC[N@@H+](CCNC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000796867918 654010623 /nfs/dbraw/zinc/01/06/23/654010623.db2.gz XWYUYKRRHVVNLL-LBPRGKRZSA-N 1 1 399.289 2.252 20 5 GEBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000916663690 654103943 /nfs/dbraw/zinc/10/39/43/654103943.db2.gz LPEUNPDNGAYZEK-ZJUUUORDSA-N 1 1 394.280 2.474 20 5 GEBDMO Nc1n[nH]c(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3Br)CC2)n1 ZINC000852058428 654215341 /nfs/dbraw/zinc/21/53/41/654215341.db2.gz XGLQLBZPHFWUKA-UHFFFAOYSA-N 1 1 381.234 2.437 20 5 GEBDMO O=C(CC[N@@H+]1CCn2ncc(Br)c2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000852626904 654251567 /nfs/dbraw/zinc/25/15/67/654251567.db2.gz XURMKOXEJTXOCW-UHFFFAOYSA-N 1 1 394.229 2.398 20 5 GEBDMO O=C(CC[N@H+]1CCn2ncc(Br)c2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000852626904 654251569 /nfs/dbraw/zinc/25/15/69/654251569.db2.gz XURMKOXEJTXOCW-UHFFFAOYSA-N 1 1 394.229 2.398 20 5 GEBDMO O=[N+]([O-])c1cccc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c1Br ZINC000852707909 654254941 /nfs/dbraw/zinc/25/49/41/654254941.db2.gz LFYGMPSYMACSRP-AWEZNQCLSA-N 1 1 384.274 2.388 20 5 GEBDMO O=[N+]([O-])c1cnc2cc(Br)ccc2c1N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000894429958 654475336 /nfs/dbraw/zinc/47/53/36/654475336.db2.gz NJNJCVGPVMWPQO-NWDGAFQWSA-N 1 1 393.241 2.161 20 5 GEBDMO O=[N+]([O-])c1cc(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000934266656 654841655 /nfs/dbraw/zinc/84/16/55/654841655.db2.gz UDGYPRGCQBCKEC-GJZGRUSLSA-N 1 1 384.274 2.388 20 5 GEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC000934953572 654868031 /nfs/dbraw/zinc/86/80/31/654868031.db2.gz ZDJBQEUPYXFDJL-GWCFXTLKSA-N 1 1 397.273 2.496 20 5 GEBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(OC)c([N+](=O)[O-])cn1)C2 ZINC001164809675 720103807 /nfs/dbraw/zinc/10/38/07/720103807.db2.gz IBVZDJJCAPWINX-HNAYVOBHSA-N 1 1 376.457 2.183 20 5 GEBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164731033 720404704 /nfs/dbraw/zinc/40/47/04/720404704.db2.gz YEVBGWBQLPNBGF-HUUCEWRRSA-N 1 1 375.816 2.130 20 5 GEBDMO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164732256 720470143 /nfs/dbraw/zinc/47/01/43/720470143.db2.gz YVNIVLKYWMVVPY-IAGOWNOFSA-N 1 1 397.435 2.415 20 5 GEBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3N)CC[C@@H]21 ZINC001164835955 720595802 /nfs/dbraw/zinc/59/58/02/720595802.db2.gz DAJCJQMMDRPRBA-HFTRVMKXSA-N 1 1 385.472 2.146 20 5 GEBDMO Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ccc1[N+](=O)[O-] ZINC001164742110 720811245 /nfs/dbraw/zinc/81/12/45/720811245.db2.gz CEVSNXNPRBKMRT-JENIJYKNSA-N 1 1 397.483 2.269 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc([N+](=O)[O-])c5cc[nH]c5n4)C[C@H]3C2)cn1 ZINC001164771833 721170603 /nfs/dbraw/zinc/17/06/03/721170603.db2.gz RCESHAQWMWMFDE-LSDHHAIUSA-N 1 1 381.440 2.163 20 5 GEBDMO COc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c([N+](=O)[O-])c1 ZINC001164807193 721550287 /nfs/dbraw/zinc/55/02/87/721550287.db2.gz QFFCPRKFTBDMAT-NEWSRXKRSA-N 1 1 399.451 2.262 20 5 GEBDMO COc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c([N+](=O)[O-])c1 ZINC001164807193 721550290 /nfs/dbraw/zinc/55/02/90/721550290.db2.gz QFFCPRKFTBDMAT-NEWSRXKRSA-N 1 1 399.451 2.262 20 5 GEBDMO COc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164984756 722106257 /nfs/dbraw/zinc/10/62/57/722106257.db2.gz UVAOGCRFIIDNGV-SJLPKXTDSA-N 1 1 399.451 2.121 20 5 GEBDMO Cc1ccnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164977268 722106538 /nfs/dbraw/zinc/10/65/38/722106538.db2.gz FNFKRDVONFIISE-ZWKOTPCHSA-N 1 1 383.452 2.421 20 5 GEBDMO COc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164979786 722112969 /nfs/dbraw/zinc/11/29/69/722112969.db2.gz PYQMDCWPKFTZPV-QFBILLFUSA-N 1 1 399.451 2.121 20 5 GEBDMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162166912 531838042 /nfs/dbraw/zinc/83/80/42/531838042.db2.gz YKXOXRWRDAWMRD-NSHDSACASA-N 1 1 381.376 2.376 20 5 GEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH+]2CCCCC2)c(C(F)(F)F)c1 ZINC000162805350 531851958 /nfs/dbraw/zinc/85/19/58/531851958.db2.gz YZUIWRNXYUBEMQ-UHFFFAOYSA-N 1 1 381.376 2.378 20 5 GEBDMO CN(C[C@H]1CC[N@@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163311479 531857001 /nfs/dbraw/zinc/85/70/01/531857001.db2.gz VYSRJPLBEMHMMV-JTQLQIEISA-N 1 1 381.376 2.186 20 5 GEBDMO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000173412820 532008969 /nfs/dbraw/zinc/00/89/69/532008969.db2.gz PWPQCXLWADWBJY-NSHDSACASA-N 1 1 392.275 2.072 20 5 GEBDMO CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000173412820 532008971 /nfs/dbraw/zinc/00/89/71/532008971.db2.gz PWPQCXLWADWBJY-NSHDSACASA-N 1 1 392.275 2.072 20 5 GEBDMO C[N@H+](Cc1cc(Br)ccc1F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173582727 532020634 /nfs/dbraw/zinc/02/06/34/532020634.db2.gz ULKPPKLJDTVHRT-CYBMUJFWSA-N 1 1 387.209 2.186 20 5 GEBDMO Cc1sc(S(=O)(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000125641324 532139474 /nfs/dbraw/zinc/13/94/74/532139474.db2.gz UJXSPQJMYVTRNM-UHFFFAOYSA-N 1 1 382.467 2.179 20 5 GEBDMO CCOC(=O)CC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000178559183 532205143 /nfs/dbraw/zinc/20/51/43/532205143.db2.gz WHHJDRIYIMAKMY-UHFFFAOYSA-N 1 1 388.218 2.181 20 5 GEBDMO CCOC(=O)CC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000178559183 532205148 /nfs/dbraw/zinc/20/51/48/532205148.db2.gz WHHJDRIYIMAKMY-UHFFFAOYSA-N 1 1 388.218 2.181 20 5 GEBDMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000185236081 532337382 /nfs/dbraw/zinc/33/73/82/532337382.db2.gz LAXVGKDDMVVDHX-UHFFFAOYSA-N 1 1 392.275 2.072 20 5 GEBDMO Cc1cc(Br)c2c(c1)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000189226416 532351458 /nfs/dbraw/zinc/35/14/58/532351458.db2.gz CRTNIMLQADDBGH-AWEZNQCLSA-N 1 1 395.257 2.281 20 5 GEBDMO Cc1cc(Br)c2c(c1)C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000189226416 532351459 /nfs/dbraw/zinc/35/14/59/532351459.db2.gz CRTNIMLQADDBGH-AWEZNQCLSA-N 1 1 395.257 2.281 20 5 GEBDMO CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000557525319 532366808 /nfs/dbraw/zinc/36/68/08/532366808.db2.gz JOGMLGMKQVXATO-JTQLQIEISA-N 1 1 394.291 2.364 20 5 GEBDMO COc1ccc(Br)c(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000429304100 532473188 /nfs/dbraw/zinc/47/31/88/532473188.db2.gz DYKMTUCOKHEUCZ-CYBMUJFWSA-N 1 1 399.245 2.055 20 5 GEBDMO COc1ccc(Br)c(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000429304100 532473197 /nfs/dbraw/zinc/47/31/97/532473197.db2.gz DYKMTUCOKHEUCZ-CYBMUJFWSA-N 1 1 399.245 2.055 20 5 GEBDMO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594601627 532515533 /nfs/dbraw/zinc/51/55/33/532515533.db2.gz DUYYLWUBUIFIFD-NWDGAFQWSA-N 1 1 393.241 2.161 20 5 GEBDMO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000432998587 532552180 /nfs/dbraw/zinc/55/21/80/532552180.db2.gz QTCZXQMYHAGNQM-JQWIXIFHSA-N 1 1 397.229 2.238 20 5 GEBDMO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000432998588 532552634 /nfs/dbraw/zinc/55/26/34/532552634.db2.gz QTCZXQMYHAGNQM-PWSUYJOCSA-N 1 1 397.229 2.238 20 5 GEBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599370759 532659171 /nfs/dbraw/zinc/65/91/71/532659171.db2.gz JULFKFZDIXFTCS-LLVKDONJSA-N 1 1 386.246 2.198 20 5 GEBDMO CCC[N@@H+](CC)C[C@H](C)NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000569157726 532688860 /nfs/dbraw/zinc/68/88/60/532688860.db2.gz FBDCQBVCCDGJBN-NSHDSACASA-N 1 1 377.438 2.141 20 5 GEBDMO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC[N@H+]1C ZINC000286191004 532732798 /nfs/dbraw/zinc/73/27/98/532732798.db2.gz ZVJUDKTZEZJPBJ-VHSXEESVSA-N 1 1 379.841 2.491 20 5 GEBDMO COCC[NH+]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000501114647 532736182 /nfs/dbraw/zinc/73/61/82/532736182.db2.gz WBBGKCOVJRSOIW-UHFFFAOYSA-N 1 1 387.234 2.153 20 5 GEBDMO Cc1cc(NC[C@](C)(O)C[NH+]2CCOCC2)c(Br)cc1[N+](=O)[O-] ZINC000302712449 532772799 /nfs/dbraw/zinc/77/27/99/532772799.db2.gz XIFFOYUQCCUVJE-HNNXBMFYSA-N 1 1 388.262 2.161 20 5 GEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000330592920 532821598 /nfs/dbraw/zinc/82/15/98/532821598.db2.gz PENKNEFQDAMLDH-QWRGUYRKSA-N 1 1 385.262 2.320 20 5 GEBDMO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccncc1Cl ZINC000421845695 532890816 /nfs/dbraw/zinc/89/08/16/532890816.db2.gz QQYJWWGPLHYCBB-LLVKDONJSA-N 1 1 384.845 2.272 20 5 GEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000293871764 532932590 /nfs/dbraw/zinc/93/25/90/532932590.db2.gz KGEYQLXFWITMPK-LSDHHAIUSA-N 1 1 398.257 2.293 20 5 GEBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000371696834 532949390 /nfs/dbraw/zinc/94/93/90/532949390.db2.gz QGJUMGMIXLFSCP-QWHCGFSZSA-N 1 1 385.873 2.320 20 5 GEBDMO CCOCCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)[C@H](C)C1 ZINC000736617623 599063036 /nfs/dbraw/zinc/06/30/36/599063036.db2.gz ZIACQLIVPBHBKW-CZUORRHYSA-N 1 1 389.460 2.324 20 5 GEBDMO COc1ccc(OCC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)c([N+](=O)[O-])c1 ZINC000821842207 599559746 /nfs/dbraw/zinc/55/97/46/599559746.db2.gz QDMKMAAORZNDCD-UHFFFAOYSA-N 1 1 384.396 2.294 20 5 GEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821623131 599559791 /nfs/dbraw/zinc/55/97/91/599559791.db2.gz DKYSLUMQYXICJB-LBPRGKRZSA-N 1 1 382.428 2.101 20 5 GEBDMO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000823620425 606709262 /nfs/dbraw/zinc/70/92/62/606709262.db2.gz KYWXGAZLZOJLBR-HNNXBMFYSA-N 1 1 394.439 2.146 20 5 GEBDMO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[N@H+]1Cc1ccccc1 ZINC000820668964 606875322 /nfs/dbraw/zinc/87/53/22/606875322.db2.gz XUESLICNYSKIKI-GXTWGEPZSA-N 1 1 380.412 2.245 20 5 GEBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1 ZINC000826498395 608173682 /nfs/dbraw/zinc/17/36/82/608173682.db2.gz SNUYFVGGLAJAPU-GOSISDBHSA-N 1 1 380.408 2.473 20 5 GEBDMO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000451876294 650149324 /nfs/dbraw/zinc/14/93/24/650149324.db2.gz FAKZFEGFEHVMPM-PELKAZGASA-N 1 1 380.253 2.226 20 5 GEBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000451876294 650149326 /nfs/dbraw/zinc/14/93/26/650149326.db2.gz FAKZFEGFEHVMPM-PELKAZGASA-N 1 1 380.253 2.226 20 5 GEBDMO C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000533328760 650759998 /nfs/dbraw/zinc/75/99/98/650759998.db2.gz WHVKROZSDOFUEV-SNVBAGLBSA-N 1 1 381.376 2.234 20 5 GEBDMO C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000121810685 643641874 /nfs/dbraw/zinc/64/18/74/643641874.db2.gz IWJJNLRFDSRJGA-LLVKDONJSA-N 1 1 386.246 2.055 20 5 GEBDMO CN1CC[N@@H+](C)C[C@H]1c1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000546495838 651000533 /nfs/dbraw/zinc/00/05/33/651000533.db2.gz FOVPMXAGWGJPPW-LBPRGKRZSA-N 1 1 382.218 2.326 20 5 GEBDMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000193723168 645293578 /nfs/dbraw/zinc/29/35/78/645293578.db2.gz RJHHKPBWPIOYKL-JTQLQIEISA-N 1 1 392.275 2.120 20 5 GEBDMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000194189735 645315444 /nfs/dbraw/zinc/31/54/44/645315444.db2.gz WWIJCQQXZJVDOE-NSHDSACASA-N 1 1 392.275 2.120 20 5 GEBDMO CN1CC[N@H+](C)C[C@H]1c1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000546495838 651000529 /nfs/dbraw/zinc/00/05/29/651000529.db2.gz FOVPMXAGWGJPPW-LBPRGKRZSA-N 1 1 382.218 2.326 20 5 GEBDMO CN(C)c1[nH+]cc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)n1C ZINC000265934359 645812988 /nfs/dbraw/zinc/81/29/88/645812988.db2.gz AYGSCQYKVPXFDZ-UHFFFAOYSA-N 1 1 382.218 2.087 20 5 GEBDMO CS[C@H]1CN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270330420 646103790 /nfs/dbraw/zinc/10/37/90/646103790.db2.gz BPZWHEYDVFZWBH-STQMWFEESA-N 1 1 395.453 2.073 20 5 GEBDMO C[NH+]1CCN(C[C@H]2CCCN(c3c(Br)cncc3[N+](=O)[O-])C2)CC1 ZINC000367341830 647730589 /nfs/dbraw/zinc/73/05/89/647730589.db2.gz HRGFFKPXUVHSAQ-CYBMUJFWSA-N 1 1 398.305 2.216 20 5 GEBDMO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000420764830 648453396 /nfs/dbraw/zinc/45/33/96/648453396.db2.gz KMSPWIMVPWETER-NSHDSACASA-N 1 1 392.275 2.072 20 5 GEBDMO C[C@@H]1C[N@@H+](C)CCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000568817037 651681462 /nfs/dbraw/zinc/68/14/62/651681462.db2.gz YVYRODJGEMEKRS-SNVBAGLBSA-N 1 1 375.210 2.335 20 5 GEBDMO CC(C)(C)[N@H+](CC(N)=O)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000582898037 652465999 /nfs/dbraw/zinc/46/59/99/652465999.db2.gz XTSIVSMWAFINRL-UHFFFAOYSA-N 1 1 391.209 2.285 20 5 GEBDMO CC(C)(C)[N@@H+](CC(N)=O)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000582898037 652466004 /nfs/dbraw/zinc/46/60/04/652466004.db2.gz XTSIVSMWAFINRL-UHFFFAOYSA-N 1 1 391.209 2.285 20 5 GEBDMO CCCC[N@@H+](C)CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000765182748 652829430 /nfs/dbraw/zinc/82/94/30/652829430.db2.gz BDYRSWJZQQJNKO-UHFFFAOYSA-N 1 1 394.291 2.368 20 5 GEBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000765195906 652830367 /nfs/dbraw/zinc/83/03/67/652830367.db2.gz URYPKEKECGIHDJ-ZJUUUORDSA-N 1 1 392.275 2.118 20 5 GEBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000765551184 652843671 /nfs/dbraw/zinc/84/36/71/652843671.db2.gz CRJBBMVYMXFPJQ-CQSZACIVSA-N 1 1 397.273 2.100 20 5 GEBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599108102 652850459 /nfs/dbraw/zinc/85/04/59/652850459.db2.gz RHNNCZGFDJQARR-LLVKDONJSA-N 1 1 380.253 2.465 20 5 GEBDMO CC[C@@H](CO)[NH+]1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602480766 653185600 /nfs/dbraw/zinc/18/56/00/653185600.db2.gz BSIYCFYEQJMPOR-JTQLQIEISA-N 1 1 378.292 2.307 20 5 GEBDMO C[C@H](CNCc1cc(Br)c([N+](=O)[O-])s1)C[NH+]1CCN(C)CC1 ZINC000602542385 653189379 /nfs/dbraw/zinc/18/93/79/653189379.db2.gz WPFBKPZBSPKMQA-LLVKDONJSA-N 1 1 391.335 2.392 20 5 GEBDMO C[C@@H]1CN(Cc2cc(Br)c([N+](=O)[O-])s2)C[C@H](C)[N@H+]1CCO ZINC000602679725 653200203 /nfs/dbraw/zinc/20/02/03/653200203.db2.gz BRPCFUWRYWNYDM-AOOOYVTPSA-N 1 1 378.292 2.306 20 5 GEBDMO C[C@@H]1CN(Cc2cc(Br)c([N+](=O)[O-])s2)C[C@H](C)[N@@H+]1CCO ZINC000602679725 653200206 /nfs/dbraw/zinc/20/02/06/653200206.db2.gz BRPCFUWRYWNYDM-AOOOYVTPSA-N 1 1 378.292 2.306 20 5 GEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000712334384 653323722 /nfs/dbraw/zinc/32/37/22/653323722.db2.gz IWRPCNHWDILIAK-SNVBAGLBSA-N 1 1 389.193 2.023 20 5 GEBDMO C[N@@H+](C[C@@H](O)COc1cc([N+](=O)[O-])ccc1I)C1CC1 ZINC000811818888 653407386 /nfs/dbraw/zinc/40/73/86/653407386.db2.gz WLZBLOIGDVZZBX-LLVKDONJSA-N 1 1 392.193 2.033 20 5 GEBDMO CC(C)(O)C[N@@H+]1CC[C@H](NCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000877664979 653616212 /nfs/dbraw/zinc/61/62/12/653616212.db2.gz AMBKJOLMNCBVAI-VIFPVBQESA-N 1 1 378.292 2.354 20 5 GEBDMO CC(C)(O)C[N@H+]1CC[C@H](NCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000877664979 653616213 /nfs/dbraw/zinc/61/62/13/653616213.db2.gz AMBKJOLMNCBVAI-VIFPVBQESA-N 1 1 378.292 2.354 20 5 GEBDMO O=C(OCC[NH+]1CCC1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000861388951 653656277 /nfs/dbraw/zinc/65/62/77/653656277.db2.gz RZUIOBMRRBUXTL-UHFFFAOYSA-N 1 1 376.150 2.062 20 5 GEBDMO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000817149174 653704173 /nfs/dbraw/zinc/70/41/73/653704173.db2.gz BFHSCEVGTQCOQS-JTQLQIEISA-N 1 1 392.275 2.072 20 5 GEBDMO C[N@H+]1CCC[C@@H](CCNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000841546000 653730986 /nfs/dbraw/zinc/73/09/86/653730986.db2.gz BUFCCVUGLARCNV-JTQLQIEISA-N 1 1 379.841 2.398 20 5 GEBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000842826250 653769731 /nfs/dbraw/zinc/76/97/31/653769731.db2.gz JLAOCGCDOCBZJY-JTQLQIEISA-N 1 1 392.275 2.120 20 5 GEBDMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000842826251 653769829 /nfs/dbraw/zinc/76/98/29/653769829.db2.gz JLAOCGCDOCBZJY-SNVBAGLBSA-N 1 1 392.275 2.120 20 5 GEBDMO CN1C(=O)NCC12CC[NH+](Cc1cccc([N+](=O)[O-])c1Br)CC2 ZINC000823650352 653875339 /nfs/dbraw/zinc/87/53/39/653875339.db2.gz ZFLNZRWIMDSUQG-UHFFFAOYSA-N 1 1 383.246 2.347 20 5 GEBDMO O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CC(C[NH+]2CCOCC2)C1 ZINC000897822025 653939260 /nfs/dbraw/zinc/93/92/60/653939260.db2.gz XJBIQPBVHBDZAZ-UHFFFAOYSA-N 1 1 392.214 2.445 20 5 GEBDMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000885893459 653962571 /nfs/dbraw/zinc/96/25/71/653962571.db2.gz RHFZRTUJROXZTL-GFCCVEGCSA-N 1 1 398.257 2.340 20 5 GEBDMO C[N@H+]1CC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CC[C@H]21 ZINC000827308313 653985281 /nfs/dbraw/zinc/98/52/81/653985281.db2.gz BKNOVGRHMCUXGV-SWLSCSKDSA-N 1 1 382.258 2.452 20 5 GEBDMO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)c1 ZINC000886573164 653992285 /nfs/dbraw/zinc/99/22/85/653992285.db2.gz XEUUVPATWYQVCJ-DDTOSNHZSA-N 1 1 388.205 2.402 20 5 GEBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)c1 ZINC000886573164 653992287 /nfs/dbraw/zinc/99/22/87/653992287.db2.gz XEUUVPATWYQVCJ-DDTOSNHZSA-N 1 1 388.205 2.402 20 5 GEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000828510130 654038954 /nfs/dbraw/zinc/03/89/54/654038954.db2.gz GYIYYQGDGLHLSA-BXKDBHETSA-N 1 1 383.246 2.106 20 5 GEBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1cccc([N+](=O)[O-])c1Br ZINC000900719338 654077862 /nfs/dbraw/zinc/07/78/62/654077862.db2.gz GOUCLFKYXYYVCH-LBPRGKRZSA-N 1 1 398.257 2.340 20 5 GEBDMO CC[N@H+]1CCN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])C[C@H]1C ZINC000802862745 654247297 /nfs/dbraw/zinc/24/72/97/654247297.db2.gz GOASNOYNWXMMGU-GFCCVEGCSA-N 1 1 399.289 2.346 20 5 GEBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000802878631 654249627 /nfs/dbraw/zinc/24/96/27/654249627.db2.gz XYOQWKSLKMKRLB-TXEJJXNPSA-N 1 1 399.289 2.345 20 5 GEBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000802994278 654254896 /nfs/dbraw/zinc/25/48/96/654254896.db2.gz UHXQSZQALCIVNI-NWDGAFQWSA-N 1 1 399.289 2.345 20 5 GEBDMO Cn1nc2c(c1C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])COCC2 ZINC000922332122 654384025 /nfs/dbraw/zinc/38/40/25/654384025.db2.gz CSBMGFBIKXUQLB-UHFFFAOYSA-N 1 1 381.230 2.453 20 5 GEBDMO CN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000932547007 654780606 /nfs/dbraw/zinc/78/06/06/654780606.db2.gz ADKFNAUNPRUPNJ-NSHDSACASA-N 1 1 383.246 2.248 20 5 GEBDMO CN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000932547006 654780749 /nfs/dbraw/zinc/78/07/49/654780749.db2.gz ADKFNAUNPRUPNJ-LLVKDONJSA-N 1 1 383.246 2.248 20 5 GEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000934888972 654864715 /nfs/dbraw/zinc/86/47/15/654864715.db2.gz GMMNOXNHSHBIRR-MFKMUULPSA-N 1 1 397.273 2.496 20 5 GEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000934888970 654864725 /nfs/dbraw/zinc/86/47/25/654864725.db2.gz GMMNOXNHSHBIRR-GWCFXTLKSA-N 1 1 397.273 2.496 20 5 GEBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC001164805854 720093160 /nfs/dbraw/zinc/09/31/60/720093160.db2.gz ABAOKUYKPZETJR-KDOFPFPSSA-N 1 1 391.428 2.083 20 5 GEBDMO O=[N+]([O-])c1ccc2ccnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164746386 720748363 /nfs/dbraw/zinc/74/83/63/720748363.db2.gz XSNDYZLFGXYOEY-SJORKVTESA-N 1 1 392.419 2.275 20 5 GEBDMO Cc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c([N+](=O)[O-])c1 ZINC001164747764 720811620 /nfs/dbraw/zinc/81/16/20/720811620.db2.gz PJSHCQQYYUGBJG-FGTMMUONSA-N 1 1 397.483 2.269 20 5 GEBDMO CCOC(=O)c1nc(Cl)nc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)c1[N+](=O)[O-] ZINC001164770056 721280676 /nfs/dbraw/zinc/28/06/76/721280676.db2.gz TXKPQMVOMOBBGJ-UHFFFAOYSA-N 1 1 395.847 2.137 20 5 GEBDMO Cc1ccnc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1[N+](=O)[O-] ZINC001164892255 721393541 /nfs/dbraw/zinc/39/35/41/721393541.db2.gz SKEVJBARBNKJDW-XLIONFOSSA-N 1 1 389.500 2.064 20 5 GEBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)[C@H]2CCCO[C@@H]12 ZINC001164803771 721546089 /nfs/dbraw/zinc/54/60/89/721546089.db2.gz IZILCCJGSJUOSA-RCCFBDPRSA-N 1 1 387.415 2.392 20 5 GEBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)[C@H]2CCCO[C@@H]12 ZINC001164803771 721546091 /nfs/dbraw/zinc/54/60/91/721546091.db2.gz IZILCCJGSJUOSA-RCCFBDPRSA-N 1 1 387.415 2.392 20 5 GEBDMO COc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)ncc1[N+](=O)[O-] ZINC001164801561 721547346 /nfs/dbraw/zinc/54/73/46/721547346.db2.gz FPYMCEUMBACESQ-SYNHAJSKSA-N 1 1 399.451 2.262 20 5 GEBDMO COc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)ncc1[N+](=O)[O-] ZINC001164801561 721547349 /nfs/dbraw/zinc/54/73/49/721547349.db2.gz FPYMCEUMBACESQ-SYNHAJSKSA-N 1 1 399.451 2.262 20 5 GEBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])C[C@@H]21 ZINC001165027668 721800654 /nfs/dbraw/zinc/80/06/54/721800654.db2.gz XFMWWIWENSCMGL-AYOQOUSVSA-N 1 1 383.452 2.360 20 5 GEBDMO COc1ncnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1[N+](=O)[O-] ZINC001164952124 722017790 /nfs/dbraw/zinc/01/77/90/722017790.db2.gz HRSHZXPFOBQDAQ-UHFFFAOYSA-N 1 1 384.440 2.281 20 5 GEBDMO Nc1nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)ccc1[N+](=O)[O-] ZINC001164962916 722057463 /nfs/dbraw/zinc/05/74/63/722057463.db2.gz FVRXHFXTYCECFU-UHFFFAOYSA-N 1 1 398.467 2.086 20 5 GEBDMO COc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164984757 722105970 /nfs/dbraw/zinc/10/59/70/722105970.db2.gz UVAOGCRFIIDNGV-WMZOPIPTSA-N 1 1 399.451 2.121 20 5 GEBDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000163349732 531857778 /nfs/dbraw/zinc/85/77/78/531857778.db2.gz JRQAGBRDJHXAGM-JTQLQIEISA-N 1 1 381.376 2.234 20 5 GEBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000163312635 531857825 /nfs/dbraw/zinc/85/78/25/531857825.db2.gz ZEYWARGXOAQEHU-UHFFFAOYSA-N 1 1 381.376 2.330 20 5 GEBDMO CC[N@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000163312635 531857832 /nfs/dbraw/zinc/85/78/32/531857832.db2.gz ZEYWARGXOAQEHU-UHFFFAOYSA-N 1 1 381.376 2.330 20 5 GEBDMO C[N@H+](Cc1ccc(Br)s1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174707098 532074810 /nfs/dbraw/zinc/07/48/10/532074810.db2.gz LIMNIVXCRSQTKX-JTQLQIEISA-N 1 1 375.248 2.108 20 5 GEBDMO O=C(CN1CC[N@H+]2CCCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000177764831 532182496 /nfs/dbraw/zinc/18/24/96/532182496.db2.gz YLAPODWJUZGKAC-CYBMUJFWSA-N 1 1 397.273 2.466 20 5 GEBDMO CN(CC[N@@H+](C)C1CC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000186795222 532342093 /nfs/dbraw/zinc/34/20/93/532342093.db2.gz JPVYVAFFKGWCTL-UHFFFAOYSA-N 1 1 385.262 2.322 20 5 GEBDMO C[N@H+]1C[C@@H]2CCN(Cc3cc(I)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590011949 532366743 /nfs/dbraw/zinc/36/67/43/532366743.db2.gz NLKKLRNJLROPDX-SMDDNHRTSA-N 1 1 387.221 2.335 20 5 GEBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1sc(Br)cc1[N+](=O)[O-] ZINC000373113885 532433123 /nfs/dbraw/zinc/43/31/23/532433123.db2.gz WKAHFHHGYPANPF-IUCAKERBSA-N 1 1 390.259 2.012 20 5 GEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000375048769 532530326 /nfs/dbraw/zinc/53/03/26/532530326.db2.gz ZSEDUOARTYXKTK-AAEUAGOBSA-N 1 1 398.257 2.259 20 5 GEBDMO Cc1c(Br)c(NCCC[N@H+]2CCCO[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000432879118 532547057 /nfs/dbraw/zinc/54/70/57/532547057.db2.gz SGOIGZUQNUZSIR-NSHDSACASA-N 1 1 387.278 2.974 20 5 GEBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596174598 532590035 /nfs/dbraw/zinc/59/00/35/532590035.db2.gz JOZKNNWYLFMPTJ-AWEZNQCLSA-N 1 1 397.273 2.276 20 5 GEBDMO O=[N+]([O-])c1cc2c(ncnc2NC[C@@]2([NH+]3CCOCC3)CCSC2)s1 ZINC000376075645 532594171 /nfs/dbraw/zinc/59/41/71/532594171.db2.gz XSPZPXQXLTVSAC-HNNXBMFYSA-N 1 1 381.483 2.219 20 5 GEBDMO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000595747824 532571970 /nfs/dbraw/zinc/57/19/70/532571970.db2.gz GZVQIVCFSIHMMR-RISCZKNCSA-N 1 1 389.239 2.124 20 5 GEBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000595747824 532571978 /nfs/dbraw/zinc/57/19/78/532571978.db2.gz GZVQIVCFSIHMMR-RISCZKNCSA-N 1 1 389.239 2.124 20 5 GEBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000283997960 532572600 /nfs/dbraw/zinc/57/26/00/532572600.db2.gz NKJPQPAXEZSWOM-NSHDSACASA-N 1 1 386.246 2.116 20 5 GEBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)C[C@H]21 ZINC000375710744 532578132 /nfs/dbraw/zinc/57/81/32/532578132.db2.gz MWAIPPXZVIYTIA-BXKDBHETSA-N 1 1 377.825 2.102 20 5 GEBDMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000472688494 532580625 /nfs/dbraw/zinc/58/06/25/532580625.db2.gz DWXHLWJIJXIZDW-UHFFFAOYSA-N 1 1 392.275 2.072 20 5 GEBDMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000597693123 532624109 /nfs/dbraw/zinc/62/41/09/532624109.db2.gz BFBQLIFHXVAPMX-LSDHHAIUSA-N 1 1 398.257 2.293 20 5 GEBDMO O=[N+]([O-])c1ccn(CC[N@H+](CCO)Cc2cc(Br)cs2)n1 ZINC000494279215 532715777 /nfs/dbraw/zinc/71/57/77/532715777.db2.gz IEWBPGQZQDCFDF-UHFFFAOYSA-N 1 1 375.248 2.110 20 5 GEBDMO C[N@H+]1CCC[C@H](NC(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000611223005 532720966 /nfs/dbraw/zinc/72/09/66/532720966.db2.gz AVSKZMWDPWQISQ-NSHDSACASA-N 1 1 389.193 2.023 20 5 GEBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000580131043 532745861 /nfs/dbraw/zinc/74/58/61/532745861.db2.gz XEUUVPATWYQVCJ-GDLCADMTSA-N 1 1 388.205 2.402 20 5 GEBDMO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000580131043 532745865 /nfs/dbraw/zinc/74/58/65/532745865.db2.gz XEUUVPATWYQVCJ-GDLCADMTSA-N 1 1 388.205 2.402 20 5 GEBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301702345 532758241 /nfs/dbraw/zinc/75/82/41/532758241.db2.gz UEKNLPXYBHVJDV-CQSZACIVSA-N 1 1 398.305 2.359 20 5 GEBDMO C[C@H](O)[C@@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000289483566 532856319 /nfs/dbraw/zinc/85/63/19/532856319.db2.gz IPHYNPFRHZDBAV-GXSJLCMTSA-N 1 1 376.194 2.402 20 5 GEBDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000289483566 532856321 /nfs/dbraw/zinc/85/63/21/532856321.db2.gz IPHYNPFRHZDBAV-GXSJLCMTSA-N 1 1 376.194 2.402 20 5 GEBDMO C[C@H]1[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000416459440 532878139 /nfs/dbraw/zinc/87/81/39/532878139.db2.gz SODSABUCJOKCII-ONGXEEELSA-N 1 1 381.376 2.375 20 5 GEBDMO C[C@H]1[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC[N@H+]1C ZINC000416459440 532878141 /nfs/dbraw/zinc/87/81/41/532878141.db2.gz SODSABUCJOKCII-ONGXEEELSA-N 1 1 381.376 2.375 20 5 GEBDMO C[N@@H+](CCc1cccc(Br)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000291273797 532899519 /nfs/dbraw/zinc/89/95/19/532899519.db2.gz PUAJBIZZWFHCNY-OAHLLOKOSA-N 1 1 383.246 2.089 20 5 GEBDMO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3ccc(F)cc3-c3nn[nH]n3)CC2)c1 ZINC000823648055 599501367 /nfs/dbraw/zinc/50/13/67/599501367.db2.gz SJLQXJOMUUNRTJ-UHFFFAOYSA-N 1 1 383.387 2.236 20 5 GEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820761630 606470706 /nfs/dbraw/zinc/47/07/06/606470706.db2.gz YVQIGNFOCVSBMS-GUYCJALGSA-N 1 1 394.439 2.492 20 5 GEBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820571103 606700528 /nfs/dbraw/zinc/70/05/28/606700528.db2.gz VWPYRKLWPUEQCG-OCCSQVGLSA-N 1 1 380.412 2.417 20 5 GEBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820705549 606710338 /nfs/dbraw/zinc/71/03/38/606710338.db2.gz UZXGBYGEPSHVIU-ZIAGYGMSSA-N 1 1 386.460 2.261 20 5 GEBDMO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[N@H+]1Cc1ccccc1 ZINC000820668965 606875390 /nfs/dbraw/zinc/87/53/90/606875390.db2.gz XUESLICNYSKIKI-JSGCOSHPSA-N 1 1 380.412 2.245 20 5 GEBDMO Cc1oc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(-c2nn[nH]n2)c1C ZINC000826341844 608469579 /nfs/dbraw/zinc/46/95/79/608469579.db2.gz RKHRNCSEXSIWQO-SNVBAGLBSA-N 1 1 385.384 2.274 20 5 GEBDMO COCCC[N@@H+](C)CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501087314 650387975 /nfs/dbraw/zinc/38/79/75/650387975.db2.gz XNQOHMGXTKFATA-UHFFFAOYSA-N 1 1 389.250 2.447 20 5 GEBDMO C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000501437510 650391921 /nfs/dbraw/zinc/39/19/21/650391921.db2.gz WHEVDGOQXCINGZ-BZNIZROVSA-N 1 1 395.257 2.362 20 5 GEBDMO C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000501437510 650391923 /nfs/dbraw/zinc/39/19/23/650391923.db2.gz WHEVDGOQXCINGZ-BZNIZROVSA-N 1 1 395.257 2.362 20 5 GEBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@H](CO)[C@H](O)C3)o2)c(Br)c1 ZINC000459702143 650430187 /nfs/dbraw/zinc/43/01/87/650430187.db2.gz KZGQHUQKWCTWLR-MEBBXXQBSA-N 1 1 397.225 2.402 20 5 GEBDMO CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000109065160 643288833 /nfs/dbraw/zinc/28/88/33/643288833.db2.gz SMRAXWZGCPKIPZ-SNVBAGLBSA-N 1 1 394.291 2.366 20 5 GEBDMO COc1cccc([C@H](CNS(=O)(=O)c2csc([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000119345914 643547773 /nfs/dbraw/zinc/54/77/73/643547773.db2.gz WATQIJQDSFRDCU-AWEZNQCLSA-N 1 1 385.467 2.246 20 5 GEBDMO O=[N+]([O-])c1cc(S(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)cs1 ZINC000119486008 643554090 /nfs/dbraw/zinc/55/40/90/643554090.db2.gz IIPDULHMBQURQO-UHFFFAOYSA-N 1 1 381.479 2.383 20 5 GEBDMO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)C[NH+]1CCOCC1 ZINC000180569814 644508072 /nfs/dbraw/zinc/50/80/72/644508072.db2.gz NTSJCODALYALOO-NSHDSACASA-N 1 1 386.246 2.055 20 5 GEBDMO C[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000194700973 645343537 /nfs/dbraw/zinc/34/35/37/645343537.db2.gz OLUAFLONDRJXHH-JTQLQIEISA-N 1 1 389.193 2.023 20 5 GEBDMO COCC[N@H+]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000267442944 645902953 /nfs/dbraw/zinc/90/29/53/645902953.db2.gz CQUWGGZDMYCRMB-UHFFFAOYSA-N 1 1 386.246 2.152 20 5 GEBDMO C[NH+](C)[C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000270896324 646149539 /nfs/dbraw/zinc/14/95/39/646149539.db2.gz IMNRDWPADPCMPF-MRXNPFEDSA-N 1 1 383.495 2.421 20 5 GEBDMO C[N@H+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1(C)C ZINC000281729148 646793191 /nfs/dbraw/zinc/79/31/91/646793191.db2.gz JCLVGWMGIQCCFD-UHFFFAOYSA-N 1 1 399.289 2.113 20 5 GEBDMO O=[N+]([O-])c1ccccc1C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000441371854 648825846 /nfs/dbraw/zinc/82/58/46/648825846.db2.gz AVBJNRBXQADUKP-UHFFFAOYSA-N 1 1 387.820 2.455 20 5 GEBDMO NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000443861666 648889654 /nfs/dbraw/zinc/88/96/54/648889654.db2.gz LJVLHWRQTKGCLZ-LBPRGKRZSA-N 1 1 385.829 2.371 20 5 GEBDMO NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000443861666 648889658 /nfs/dbraw/zinc/88/96/58/648889658.db2.gz LJVLHWRQTKGCLZ-LBPRGKRZSA-N 1 1 385.829 2.371 20 5 GEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)c1 ZINC000551092805 651117846 /nfs/dbraw/zinc/11/78/46/651117846.db2.gz KMHFNEYQFSLQCL-UKRRQHHQSA-N 1 1 396.245 2.147 20 5 GEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)c1 ZINC000551092805 651117849 /nfs/dbraw/zinc/11/78/49/651117849.db2.gz KMHFNEYQFSLQCL-UKRRQHHQSA-N 1 1 396.245 2.147 20 5 GEBDMO Cc1c(Br)cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000610338325 651656967 /nfs/dbraw/zinc/65/69/67/651656967.db2.gz XGCWZRXJEBZVPB-SNVBAGLBSA-N 1 1 392.275 2.038 20 5 GEBDMO Cc1c(Br)cc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000610338325 651656971 /nfs/dbraw/zinc/65/69/71/651656971.db2.gz XGCWZRXJEBZVPB-SNVBAGLBSA-N 1 1 392.275 2.038 20 5 GEBDMO C[C@@H]1C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H]1CO ZINC000575029622 652059184 /nfs/dbraw/zinc/05/91/84/652059184.db2.gz JDGKTNPCHZKBLU-KOLCDFICSA-N 1 1 376.194 2.260 20 5 GEBDMO C[C@@H]1C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H]1CO ZINC000575029622 652059187 /nfs/dbraw/zinc/05/91/87/652059187.db2.gz JDGKTNPCHZKBLU-KOLCDFICSA-N 1 1 376.194 2.260 20 5 GEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000585700716 652534072 /nfs/dbraw/zinc/53/40/72/652534072.db2.gz OBHOKULQJHENPA-YGRLFVJLSA-N 1 1 386.246 2.115 20 5 GEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000585700716 652534076 /nfs/dbraw/zinc/53/40/76/652534076.db2.gz OBHOKULQJHENPA-YGRLFVJLSA-N 1 1 386.246 2.115 20 5 GEBDMO O=[N+]([O-])c1sc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1Br ZINC000602722142 653202308 /nfs/dbraw/zinc/20/23/08/653202308.db2.gz NIDLVZBTQCLGLR-NSHDSACASA-N 1 1 390.303 2.450 20 5 GEBDMO C[C@H]1CCC[N@H+]1CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000780868337 653634401 /nfs/dbraw/zinc/63/44/01/653634401.db2.gz SUBYISXQLQJENP-JTQLQIEISA-N 1 1 392.275 2.120 20 5 GEBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCSC(C)(C)C ZINC000817288140 653707721 /nfs/dbraw/zinc/70/77/21/653707721.db2.gz HPRJEUMVFOXLNL-UHFFFAOYSA-N 1 1 375.516 2.337 20 5 GEBDMO CN(C)S(=O)(=O)C1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000895810049 653851127 /nfs/dbraw/zinc/85/11/27/653851127.db2.gz HBSFKFHTRXDLLZ-UHFFFAOYSA-N 1 1 382.269 2.415 20 5 GEBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000896259100 653871376 /nfs/dbraw/zinc/87/13/76/653871376.db2.gz RBRUZAJGSOQPFQ-QMMMGPOBSA-N 1 1 380.203 2.491 20 5 GEBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000795199031 653938548 /nfs/dbraw/zinc/93/85/48/653938548.db2.gz BVUGMCHCZLEMHR-CQSZACIVSA-N 1 1 381.479 2.457 20 5 GEBDMO C[N@H+](C[C@H]1CCOC1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795438777 653952833 /nfs/dbraw/zinc/95/28/33/653952833.db2.gz OATZZBZJROJQRH-SNVBAGLBSA-N 1 1 384.230 2.239 20 5 GEBDMO C[N@@H+](C[C@H]1CCOC1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795438777 653952842 /nfs/dbraw/zinc/95/28/42/653952842.db2.gz OATZZBZJROJQRH-SNVBAGLBSA-N 1 1 384.230 2.239 20 5 GEBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ncc1Br ZINC000848352536 653971816 /nfs/dbraw/zinc/97/18/16/653971816.db2.gz QOCLOFDDSPCVEF-CHWSQXEVSA-N 1 1 383.246 2.499 20 5 GEBDMO CC[NH+](CC)CCOCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795926473 653977915 /nfs/dbraw/zinc/97/79/15/653977915.db2.gz RFWYROWFAVJMOA-UHFFFAOYSA-N 1 1 397.856 2.024 20 5 GEBDMO C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000867810115 653991046 /nfs/dbraw/zinc/99/10/46/653991046.db2.gz XDBDAFCRTIGOMO-JOYOIKCWSA-N 1 1 377.825 2.102 20 5 GEBDMO O=[N+]([O-])c1cccc(Br)c1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000827699297 654004523 /nfs/dbraw/zinc/00/45/23/654004523.db2.gz GRZYEPBSCOOZOH-CYBMUJFWSA-N 1 1 384.274 2.388 20 5 GEBDMO C[N@@H+]1CC[C@@H]2CN(c3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000828987927 654057270 /nfs/dbraw/zinc/05/72/70/654057270.db2.gz OFBNIKXDQTXBNI-RNCFNFMXSA-N 1 1 379.360 2.029 20 5 GEBDMO C[N@H+]1CC[C@@H]2CN(c3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000828987927 654057272 /nfs/dbraw/zinc/05/72/72/654057272.db2.gz OFBNIKXDQTXBNI-RNCFNFMXSA-N 1 1 379.360 2.029 20 5 GEBDMO O=C(CC[N@@H+]1CCn2ncc(Br)c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000852626662 654251533 /nfs/dbraw/zinc/25/15/33/654251533.db2.gz PQIQDTHMPWGODW-UHFFFAOYSA-N 1 1 394.229 2.398 20 5 GEBDMO O=C(CC[N@H+]1CCn2ncc(Br)c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000852626662 654251536 /nfs/dbraw/zinc/25/15/36/654251536.db2.gz PQIQDTHMPWGODW-UHFFFAOYSA-N 1 1 394.229 2.398 20 5 GEBDMO O=[N+]([O-])c1cnc2cc(Br)ccc2c1N1CCC[N@H+](CCO)CC1 ZINC000892338300 654341133 /nfs/dbraw/zinc/34/11/33/654341133.db2.gz VSHUDZVZMFYENT-UHFFFAOYSA-N 1 1 395.257 2.410 20 5 GEBDMO CCNC(=O)C[N@@H+]1CCCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856723319 654486765 /nfs/dbraw/zinc/48/67/65/654486765.db2.gz MTAJZOZMJNZOAW-UHFFFAOYSA-N 1 1 385.262 2.006 20 5 GEBDMO CCNC(=O)C[N@H+]1CCCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856723319 654486768 /nfs/dbraw/zinc/48/67/68/654486768.db2.gz MTAJZOZMJNZOAW-UHFFFAOYSA-N 1 1 385.262 2.006 20 5 GEBDMO O=[N+]([O-])c1cc(CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000934266655 654841626 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CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440849481 648816792 /nfs/dbraw/zinc/81/67/92/648816792.db2.gz AZLJWUZBEGBICV-LLVKDONJSA-N 1 1 392.275 2.120 20 5 GEBDMO CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000609440106 651619577 /nfs/dbraw/zinc/61/95/77/651619577.db2.gz HGABHEZYLJPJCH-SNVBAGLBSA-N 1 1 394.291 2.366 20 5 GEBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[N@H+]1C ZINC000742308941 651978211 /nfs/dbraw/zinc/97/82/11/651978211.db2.gz MNUBXNDIPXVMAX-ZJUUUORDSA-N 1 1 392.275 2.118 20 5 GEBDMO Cc1c(Br)cc(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000577529852 652195388 /nfs/dbraw/zinc/19/53/88/652195388.db2.gz ZCTLYFZAPSETIQ-UHFFFAOYSA-N 1 1 394.229 2.351 20 5 GEBDMO CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000579177582 652321976 /nfs/dbraw/zinc/32/19/76/652321976.db2.gz FBDCQBVCCDGJBN-LLVKDONJSA-N 1 1 377.438 2.141 20 5 GEBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 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375.210 2.335 20 5 GEBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000813489503 653514271 /nfs/dbraw/zinc/51/42/71/653514271.db2.gz BWVYYMIPHHMWST-LLVKDONJSA-N 1 1 376.240 2.430 20 5 GEBDMO CC[N@@H+](CCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(C)C ZINC000780856240 653633611 /nfs/dbraw/zinc/63/36/11/653633611.db2.gz NMMAOHOBHCBVND-UHFFFAOYSA-N 1 1 394.291 2.366 20 5 GEBDMO C[N@@H+](Cc1cscc1Br)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000880359384 653704729 /nfs/dbraw/zinc/70/47/29/653704729.db2.gz JMXWNSKTSAHIDY-LLVKDONJSA-N 1 1 375.248 2.108 20 5 GEBDMO C[N@H+](Cc1cscc1Br)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000880359384 653704730 /nfs/dbraw/zinc/70/47/30/653704730.db2.gz JMXWNSKTSAHIDY-LLVKDONJSA-N 1 1 375.248 2.108 20 5 GEBDMO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[C@@H]1[NH+]1CCCC1 ZINC000786797356 653728161 /nfs/dbraw/zinc/72/81/61/653728161.db2.gz QHHPVWWPMONRHM-LSDHHAIUSA-N 1 1 385.511 2.014 20 5 GEBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 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SCAUNXSULBZLIX-DGCLKSJQSA-N 1 1 399.289 2.392 20 5 GEBDMO C[N@H+]1CCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CCC1(C)C ZINC000828299581 654032375 /nfs/dbraw/zinc/03/23/75/654032375.db2.gz DZMQSSVEVMKRLB-UHFFFAOYSA-N 1 1 385.262 2.496 20 5 GEBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000828958483 654056290 /nfs/dbraw/zinc/05/62/90/654056290.db2.gz FWICJINKIWLMNI-NEPJUHHUSA-N 1 1 383.246 2.248 20 5 GEBDMO CN(CC(=O)N1CC[N@@H+](C)CC1(C)C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000802956754 654252642 /nfs/dbraw/zinc/25/26/42/654252642.db2.gz JKDBSQPQPBBQND-UHFFFAOYSA-N 1 1 399.289 2.346 20 5 GEBDMO C[N@@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000872665517 654387942 /nfs/dbraw/zinc/38/79/42/654387942.db2.gz ZXHGHWUCFCOLIC-NEPJUHHUSA-N 1 1 377.825 2.245 20 5 GEBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000872665517 654387946 /nfs/dbraw/zinc/38/79/46/654387946.db2.gz ZXHGHWUCFCOLIC-NEPJUHHUSA-N 1 1 377.825 2.245 20 5 GEBDMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000908029424 654598292 /nfs/dbraw/zinc/59/82/92/654598292.db2.gz JOFIINYJHFZCHB-VIFPVBQESA-N 1 1 391.230 2.160 20 5 GEBDMO O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000908201950 654613001 /nfs/dbraw/zinc/61/30/01/654613001.db2.gz NNDGMTFULYRSBP-BDAKNGLRSA-N 1 1 392.214 2.322 20 5 GEBDMO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)CC[N@H+]1C ZINC000928437246 654647038 /nfs/dbraw/zinc/64/70/38/654647038.db2.gz BTGCZAKJVNVIFM-PELKAZGASA-N 1 1 389.193 2.022 20 5 GEBDMO Nc1c(Br)cc(C(=O)N2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000932761368 654788384 /nfs/dbraw/zinc/78/83/84/654788384.db2.gz ORBZQBMEVALBHH-UHFFFAOYSA-N 1 1 383.246 2.250 20 5 GEBDMO O=[N+]([O-])c1cccc(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1Br ZINC000934276646 654842748 /nfs/dbraw/zinc/84/27/48/654842748.db2.gz ZGCGIQYCRSAUIU-UONOGXRCSA-N 1 1 384.274 2.388 20 5 GEBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])C2 ZINC001164811747 720136972 /nfs/dbraw/zinc/13/69/72/720136972.db2.gz NDONITVJKOCPBM-KSSFIOAISA-N 1 1 396.875 2.066 20 5 GEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164729495 720482390 /nfs/dbraw/zinc/48/23/90/720482390.db2.gz RFCALSNDDOCCBN-CVEARBPZSA-N 1 1 383.408 2.025 20 5 GEBDMO Cc1ncc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164833774 720534495 /nfs/dbraw/zinc/53/44/95/720534495.db2.gz BOBUVTKLMNOLHM-IXDOHACOSA-N 1 1 385.472 2.268 20 5 GEBDMO Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncc1[N+](=O)[O-] ZINC001164841543 720633136 /nfs/dbraw/zinc/63/31/36/720633136.db2.gz SSBRTWMWXCDLQU-BRWVUGGUSA-N 1 1 385.472 2.268 20 5 GEBDMO Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncc1[N+](=O)[O-] ZINC001164841545 720634171 /nfs/dbraw/zinc/63/41/71/720634171.db2.gz SSBRTWMWXCDLQU-IXDOHACOSA-N 1 1 385.472 2.268 20 5 GEBDMO O=[N+]([O-])c1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc2[nH]ccc21 ZINC001164867699 721116224 /nfs/dbraw/zinc/11/62/24/721116224.db2.gz ZPIHOCATUASVIL-HZPDHXFCSA-N 1 1 394.435 2.346 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc([N+](=O)[O-])c5cc[nH]c5n4)C[C@@H]3C2)cn1 ZINC001164771831 721169312 /nfs/dbraw/zinc/16/93/12/721169312.db2.gz RCESHAQWMWMFDE-GJZGRUSLSA-N 1 1 381.440 2.163 20 5 GEBDMO Cc1nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ccc1[N+](=O)[O-] ZINC001164893635 721383234 /nfs/dbraw/zinc/38/32/34/721383234.db2.gz WJJRSKLYXWRBPP-PXNSSMCTSA-N 1 1 389.500 2.064 20 5 GEBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164894114 721383535 /nfs/dbraw/zinc/38/35/35/721383535.db2.gz XTCAJQJVQUHZDS-AZUAARDMSA-N 1 1 389.500 2.064 20 5 GEBDMO COc1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164904634 721530329 /nfs/dbraw/zinc/53/03/29/721530329.db2.gz FUUAQAMSAZEPIS-PBHICJAKSA-N 1 1 388.399 2.479 20 5 GEBDMO COc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)ccc1[N+](=O)[O-] ZINC001164805283 721538349 /nfs/dbraw/zinc/53/83/49/721538349.db2.gz LLRKNKCKCLECCM-AYBZRNKSSA-N 1 1 399.451 2.262 20 5 GEBDMO COc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)ccc1[N+](=O)[O-] ZINC001164805283 721538352 /nfs/dbraw/zinc/53/83/52/721538352.db2.gz LLRKNKCKCLECCM-AYBZRNKSSA-N 1 1 399.451 2.262 20 5 GEBDMO COc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC001164805289 721538362 /nfs/dbraw/zinc/53/83/62/721538362.db2.gz LLRKNKCKCLECCM-IEZWGBDMSA-N 1 1 399.451 2.262 20 5 GEBDMO COc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC001164805289 721538367 /nfs/dbraw/zinc/53/83/67/721538367.db2.gz LLRKNKCKCLECCM-IEZWGBDMSA-N 1 1 399.451 2.262 20 5 GEBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])C[C@@H]21 ZINC001165027671 721800680 /nfs/dbraw/zinc/80/06/80/721800680.db2.gz XFMWWIWENSCMGL-ZYSHUDEJSA-N 1 1 383.452 2.360 20 5 GEBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc([N+](=O)[O-])cc[n+]4[O-])CC3)C2)cc1 ZINC001164937576 721920924 /nfs/dbraw/zinc/92/09/24/721920924.db2.gz DCCMTYGHOUUZPP-UHFFFAOYSA-N 1 1 398.463 2.408 20 5 GEBDMO O=[N+]([O-])c1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(F)c1 ZINC001164982548 722110309 /nfs/dbraw/zinc/11/03/09/722110309.db2.gz WZROOKZCQFBGHA-YJBOKZPZSA-N 1 1 387.415 2.251 20 5 GEBDMO C[N@H+]1CCC[C@H]1CNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000154745507 531631840 /nfs/dbraw/zinc/63/18/40/531631840.db2.gz CAVVEDFMTPIMGE-NSHDSACASA-N 1 1 389.193 2.023 20 5 GEBDMO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c(C)s1 ZINC000158395930 531776979 /nfs/dbraw/zinc/77/69/79/531776979.db2.gz KWKSSSMZPUSIOE-UHFFFAOYSA-N 1 1 375.497 2.403 20 5 GEBDMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000162936618 531853488 /nfs/dbraw/zinc/85/34/88/531853488.db2.gz FFEBTMKJWDOPPE-JTQLQIEISA-N 1 1 381.376 2.376 20 5 GEBDMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000162936618 531853492 /nfs/dbraw/zinc/85/34/92/531853492.db2.gz FFEBTMKJWDOPPE-JTQLQIEISA-N 1 1 381.376 2.376 20 5 GEBDMO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000064469329 531865561 /nfs/dbraw/zinc/86/55/61/531865561.db2.gz ULXZLMTYJDOHHJ-UHFFFAOYSA-N 1 1 381.376 2.383 20 5 GEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121329611 532023275 /nfs/dbraw/zinc/02/32/75/532023275.db2.gz GSMLAURODLEUHU-GFCCVEGCSA-N 1 1 386.246 2.198 20 5 GEBDMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174164069 532054327 /nfs/dbraw/zinc/05/43/27/532054327.db2.gz FZJDRUXUUDFWMJ-GFCCVEGCSA-N 1 1 398.257 2.152 20 5 GEBDMO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000131306667 532195922 /nfs/dbraw/zinc/19/59/22/532195922.db2.gz UHGCCPIYTSQFKN-SNVBAGLBSA-N 1 1 392.275 2.072 20 5 GEBDMO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000131306667 532195926 /nfs/dbraw/zinc/19/59/26/532195926.db2.gz UHGCCPIYTSQFKN-SNVBAGLBSA-N 1 1 392.275 2.072 20 5 GEBDMO CCN1CC[NH+](CCCNC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000180528925 532274191 /nfs/dbraw/zinc/27/41/91/532274191.db2.gz GQBFBXVZFXKMCA-UHFFFAOYSA-N 1 1 399.289 2.115 20 5 GEBDMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000185229205 532337288 /nfs/dbraw/zinc/33/72/88/532337288.db2.gz UIJUVWGMOMWBRL-UHFFFAOYSA-N 1 1 392.275 2.072 20 5 GEBDMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000185230072 532337432 /nfs/dbraw/zinc/33/74/32/532337432.db2.gz LOCNVIYWNWJPDI-UHFFFAOYSA-N 1 1 392.275 2.072 20 5 GEBDMO C[N@@H+]1C[C@@H]2CCCN(c3c(I)cncc3[N+](=O)[O-])[C@@H]2C1 ZINC000425285451 532380678 /nfs/dbraw/zinc/38/06/78/532380678.db2.gz OKYDQKPGJNXYLD-JOYOIKCWSA-N 1 1 388.209 2.125 20 5 GEBDMO C[N@H+]1C[C@@H]2CCCN(c3c(I)cncc3[N+](=O)[O-])[C@@H]2C1 ZINC000425285451 532380681 /nfs/dbraw/zinc/38/06/81/532380681.db2.gz OKYDQKPGJNXYLD-JOYOIKCWSA-N 1 1 388.209 2.125 20 5 GEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CCn1cc(Br)cn1 ZINC000558181904 532388579 /nfs/dbraw/zinc/38/85/79/532388579.db2.gz FWJLYPXRWFQWBW-UHFFFAOYSA-N 1 1 396.245 2.433 20 5 GEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CCn1cc(Br)cn1 ZINC000558181904 532388584 /nfs/dbraw/zinc/38/85/84/532388584.db2.gz FWJLYPXRWFQWBW-UHFFFAOYSA-N 1 1 396.245 2.433 20 5 GEBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1Br ZINC000373788303 532470952 /nfs/dbraw/zinc/47/09/52/532470952.db2.gz SDRMHGXHLCEALM-NEPJUHHUSA-N 1 1 398.257 2.340 20 5 GEBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1Br ZINC000373788303 532470957 /nfs/dbraw/zinc/47/09/57/532470957.db2.gz SDRMHGXHLCEALM-NEPJUHHUSA-N 1 1 398.257 2.340 20 5 GEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000375048771 532530306 /nfs/dbraw/zinc/53/03/06/532530306.db2.gz ZSEDUOARTYXKTK-WCQYABFASA-N 1 1 398.257 2.259 20 5 GEBDMO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000595353614 532559747 /nfs/dbraw/zinc/55/97/47/532559747.db2.gz IQDLMNYKYAKDQL-NSHDSACASA-N 1 1 381.376 2.376 20 5 GEBDMO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000595353751 532560164 /nfs/dbraw/zinc/56/01/64/532560164.db2.gz KBGHYBVMDGMYQJ-NSHDSACASA-N 1 1 392.275 2.120 20 5 GEBDMO Cc1c(Br)c(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)ncc1[N+](=O)[O-] ZINC000596538428 532597306 /nfs/dbraw/zinc/59/73/06/532597306.db2.gz KRRWWZHJDCNMAM-GFCCVEGCSA-N 1 1 385.262 2.096 20 5 GEBDMO C[C@H]1COCC[N@H+]1C1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000603401219 532693677 /nfs/dbraw/zinc/69/36/77/532693677.db2.gz JOQOESMSZKRLBN-NSHDSACASA-N 1 1 385.262 2.442 20 5 GEBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000492253672 532712646 /nfs/dbraw/zinc/71/26/46/532712646.db2.gz QIEYEMKCZBLGDF-LLVKDONJSA-N 1 1 385.262 2.357 20 5 GEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000286127147 532729302 /nfs/dbraw/zinc/72/93/02/532729302.db2.gz WDHHYRLXQBXSAB-CABZTGNLSA-N 1 1 379.841 2.348 20 5 GEBDMO CC[N@@H+]1CCCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301165827 532743884 /nfs/dbraw/zinc/74/38/84/532743884.db2.gz DMYJKUAPIBECNG-UHFFFAOYSA-N 1 1 381.376 2.420 20 5 GEBDMO CC[N@H+]1CCCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301165827 532743889 /nfs/dbraw/zinc/74/38/89/532743889.db2.gz DMYJKUAPIBECNG-UHFFFAOYSA-N 1 1 381.376 2.420 20 5 GEBDMO Cc1cc(Br)ccc1C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000444689864 532751333 /nfs/dbraw/zinc/75/13/33/532751333.db2.gz HRDALLDMXUAWOE-HNNXBMFYSA-N 1 1 383.246 2.355 20 5 GEBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000416396036 532875427 /nfs/dbraw/zinc/87/54/27/532875427.db2.gz ZCEHCXHGDONATQ-SNVBAGLBSA-N 1 1 379.360 2.129 20 5 GEBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000416396036 532875430 /nfs/dbraw/zinc/87/54/30/532875430.db2.gz ZCEHCXHGDONATQ-SNVBAGLBSA-N 1 1 379.360 2.129 20 5 GEBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000367492578 532925788 /nfs/dbraw/zinc/92/57/88/532925788.db2.gz IQLDJCKJEJEOFX-JSGCOSHPSA-N 1 1 399.245 2.342 20 5 GEBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736204943 598498790 /nfs/dbraw/zinc/49/87/90/598498790.db2.gz UNNSPAKOIATMQY-JSGCOSHPSA-N 1 1 380.412 2.417 20 5 GEBDMO CC[N@H+]1CCC[C@@H]1CN(C)c1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821266662 606141934 /nfs/dbraw/zinc/14/19/34/606141934.db2.gz GBEGTCXUERDWEE-CYBMUJFWSA-N 1 1 382.428 2.244 20 5 GEBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820751705 606805726 /nfs/dbraw/zinc/80/57/26/606805726.db2.gz HQYYVGUUUWWKRB-BDJLRTHQSA-N 1 1 382.428 2.464 20 5 GEBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)cc1 ZINC000823639906 606960569 /nfs/dbraw/zinc/96/05/69/606960569.db2.gz LLDHFTVDUXXQGI-UHFFFAOYSA-N 1 1 383.387 2.236 20 5 GEBDMO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCCC[N@H+]1CCc2ccccc2C1 ZINC000823624769 607167806 /nfs/dbraw/zinc/16/78/06/607167806.db2.gz IVRXROVMGVYKLI-UHFFFAOYSA-N 1 1 380.412 2.030 20 5 GEBDMO C[C@H]([NH2+][C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000824556114 608391715 /nfs/dbraw/zinc/39/17/15/608391715.db2.gz ZOFKJJHSXNSKJP-BLLLJJGKSA-N 1 1 393.407 2.231 20 5 GEBDMO O=C1[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477054 609600828 /nfs/dbraw/zinc/60/08/28/609600828.db2.gz UVQRYFKAIFDTOM-CQSZACIVSA-N 1 1 399.436 2.122 20 5 GEBDMO CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447013725 649994248 /nfs/dbraw/zinc/99/42/48/649994248.db2.gz QKTWSLODKQLQLG-SNVBAGLBSA-N 1 1 394.291 2.366 20 5 GEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](c3cccc(Br)c3)C2)c1 ZINC000451576096 650127003 /nfs/dbraw/zinc/12/70/03/650127003.db2.gz ZKPIOSMFKRMMGP-CJNGLKHVSA-N 1 1 395.257 2.404 20 5 GEBDMO O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCCC[NH+]1CCOCC1 ZINC000502096008 650400638 /nfs/dbraw/zinc/40/06/38/650400638.db2.gz HSPSCTDAFMVTOY-UHFFFAOYSA-N 1 1 395.257 2.462 20 5 GEBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000462500530 650482079 /nfs/dbraw/zinc/48/20/79/650482079.db2.gz LAKXNENNNKMFPV-KOLCDFICSA-N 1 1 392.275 2.118 20 5 GEBDMO CC[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CCC(F)(F)F ZINC000494423202 650807764 /nfs/dbraw/zinc/80/77/64/650807764.db2.gz FGHFQXXFNPLSFC-UHFFFAOYSA-N 1 1 387.355 2.287 20 5 GEBDMO CC[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CCC(F)(F)F ZINC000494423202 650807765 /nfs/dbraw/zinc/80/77/65/650807765.db2.gz FGHFQXXFNPLSFC-UHFFFAOYSA-N 1 1 387.355 2.287 20 5 GEBDMO Cc1cccc(N2CCC(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)CC2)[nH+]1 ZINC000116904787 643477371 /nfs/dbraw/zinc/47/73/71/643477371.db2.gz YIJBRVAWUSEMNL-UHFFFAOYSA-N 1 1 382.467 2.307 20 5 GEBDMO O=[N+]([O-])c1cc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)cs1 ZINC000119540443 643555936 /nfs/dbraw/zinc/55/59/36/643555936.db2.gz WYUBMHNOURRBLE-UHFFFAOYSA-N 1 1 391.540 2.296 20 5 GEBDMO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000123356313 643666684 /nfs/dbraw/zinc/66/66/84/643666684.db2.gz LNRJKZCJYVUUOJ-LLVKDONJSA-N 1 1 392.275 2.072 20 5 GEBDMO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000123356313 643666687 /nfs/dbraw/zinc/66/66/87/643666687.db2.gz LNRJKZCJYVUUOJ-LLVKDONJSA-N 1 1 392.275 2.072 20 5 GEBDMO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163386024 644254234 /nfs/dbraw/zinc/25/42/34/644254234.db2.gz SXQCAJBJPCLIAU-NSHDSACASA-N 1 1 381.376 2.328 20 5 GEBDMO CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163386024 644254241 /nfs/dbraw/zinc/25/42/41/644254241.db2.gz SXQCAJBJPCLIAU-NSHDSACASA-N 1 1 381.376 2.328 20 5 GEBDMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000193723154 645293763 /nfs/dbraw/zinc/29/37/63/645293763.db2.gz RJHHKPBWPIOYKL-SNVBAGLBSA-N 1 1 392.275 2.120 20 5 GEBDMO CS[C@@H]1CN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270330415 646103813 /nfs/dbraw/zinc/10/38/13/646103813.db2.gz BPZWHEYDVFZWBH-CHWSQXEVSA-N 1 1 395.453 2.073 20 5 GEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCSCC1 ZINC000270761772 646135798 /nfs/dbraw/zinc/13/57/98/646135798.db2.gz XXCGEWLZZZJUAQ-UHFFFAOYSA-N 1 1 385.511 2.112 20 5 GEBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000377882836 647871289 /nfs/dbraw/zinc/87/12/89/647871289.db2.gz GZKQHNROJBJVPA-ZANVPECISA-N 1 1 377.825 2.102 20 5 GEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)[C@H]2C1 ZINC000378492942 647883054 /nfs/dbraw/zinc/88/30/54/647883054.db2.gz HZRKBTUANMKQTB-ABAIWWIYSA-N 1 1 382.258 2.452 20 5 GEBDMO C[C@@H]1C[NH+](C[C@@H](O)COc2c(Br)cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000550177153 651106645 /nfs/dbraw/zinc/10/66/45/651106645.db2.gz PYFDZNOXQZADTF-IJLUTSLNSA-N 1 1 389.246 2.206 20 5 GEBDMO C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)CC[N@H+]1C ZINC000719385455 651476046 /nfs/dbraw/zinc/47/60/46/651476046.db2.gz HCUURWVLRLGADB-QPUJVOFHSA-N 1 1 389.193 2.022 20 5 GEBDMO C[N@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000608783471 651607533 /nfs/dbraw/zinc/60/75/33/651607533.db2.gz KKGVJPYXICXJAX-SECBINFHSA-N 1 1 389.193 2.023 20 5 GEBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[N@H+]1C ZINC000742309056 651978182 /nfs/dbraw/zinc/97/81/82/651978182.db2.gz KHXKXOVNRPQLEP-UWVGGRQHSA-N 1 1 392.275 2.118 20 5 GEBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[N@H+]1C ZINC000742309055 651978223 /nfs/dbraw/zinc/97/82/23/651978223.db2.gz KHXKXOVNRPQLEP-NXEZZACHSA-N 1 1 392.275 2.118 20 5 GEBDMO O=C1CC[C@@H]([NH+]2CCN(c3c(Br)cccc3[N+](=O)[O-])CC2)CCN1 ZINC000596260424 652756326 /nfs/dbraw/zinc/75/63/26/652756326.db2.gz GYPLKRAOFKXBNI-GFCCVEGCSA-N 1 1 397.273 2.148 20 5 GEBDMO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000599594731 652878488 /nfs/dbraw/zinc/87/84/88/652878488.db2.gz IMMLDWVIIFNKJO-LBPRGKRZSA-N 1 1 398.257 2.152 20 5 GEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](CC3CCSCC3)CC2)cc1 ZINC000602432180 653180470 /nfs/dbraw/zinc/18/04/70/653180470.db2.gz DXIRKRCRUFVGQM-UHFFFAOYSA-N 1 1 385.511 2.044 20 5 GEBDMO COC(=O)C[C@@]1([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCOC1 ZINC000602612476 653194756 /nfs/dbraw/zinc/19/47/56/653194756.db2.gz SKVHMHCAGZAYKI-LBPRGKRZSA-N 1 1 379.232 2.231 20 5 GEBDMO C[C@@H]1CN(Cc2cc(Br)c([N+](=O)[O-])s2)[C@@H](C)C[N@@H+]1CCO ZINC000602698832 653201296 /nfs/dbraw/zinc/20/12/96/653201296.db2.gz ZNHKUGMDBLCJKX-ZJUUUORDSA-N 1 1 378.292 2.306 20 5 GEBDMO C[C@@H]1CN(Cc2cc(Br)c([N+](=O)[O-])s2)[C@@H](C)C[N@H+]1CCO ZINC000602698832 653201298 /nfs/dbraw/zinc/20/12/98/653201298.db2.gz ZNHKUGMDBLCJKX-ZJUUUORDSA-N 1 1 378.292 2.306 20 5 GEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](Oc3cncc(Br)c3)C2)c1 ZINC000602885587 653212477 /nfs/dbraw/zinc/21/24/77/653212477.db2.gz GEXRHBVZYSGABF-ZDUSSCGKSA-N 1 1 382.218 2.102 20 5 GEBDMO C[N@H+](CCn1cc(Br)cn1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000808243819 653223928 /nfs/dbraw/zinc/22/39/28/653223928.db2.gz QBJXRLCHSWVDNW-UHFFFAOYSA-N 1 1 379.218 2.493 20 5 GEBDMO C[N@@H+](CCn1cc(Br)cn1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000808243819 653223929 /nfs/dbraw/zinc/22/39/29/653223929.db2.gz QBJXRLCHSWVDNW-UHFFFAOYSA-N 1 1 379.218 2.493 20 5 GEBDMO CN(CCCN1CC[NH+](C)CC1)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000809743230 653292551 /nfs/dbraw/zinc/29/25/51/653292551.db2.gz NJTMWIJSCWBHEA-UHFFFAOYSA-N 1 1 385.306 2.427 20 5 GEBDMO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1Cl ZINC000809815579 653298377 /nfs/dbraw/zinc/29/83/77/653298377.db2.gz JRNCMWYETZPSGP-JTQLQIEISA-N 1 1 377.825 2.150 20 5 GEBDMO C[N@H+]1C[C@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)[C@@H]2C1 ZINC000813741036 653613964 /nfs/dbraw/zinc/61/39/64/653613964.db2.gz NFUMIOVIBCBWPG-PRHODGIISA-N 1 1 380.253 2.226 20 5 GEBDMO O=C(O[C@H]1C[C@@H]([NH+]2CCOCC2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000838907134 653635814 /nfs/dbraw/zinc/63/58/14/653635814.db2.gz RMTZSIJOMNXYKW-XBXGTLAGSA-N 1 1 385.214 2.377 20 5 GEBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815009087 653642976 /nfs/dbraw/zinc/64/29/76/653642976.db2.gz ZHEQRHDACCJWMI-SNVBAGLBSA-N 1 1 379.841 2.398 20 5 GEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815028134 653645666 /nfs/dbraw/zinc/64/56/66/653645666.db2.gz RMJSBHYEBKHOCE-MFKMUULPSA-N 1 1 391.852 2.492 20 5 GEBDMO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000817149175 653704102 /nfs/dbraw/zinc/70/41/02/653704102.db2.gz BFHSCEVGTQCOQS-SNVBAGLBSA-N 1 1 392.275 2.072 20 5 GEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000818978076 653739938 /nfs/dbraw/zinc/73/99/38/653739938.db2.gz QHZKVKFRHNDPBI-CYBMUJFWSA-N 1 1 399.289 2.346 20 5 GEBDMO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C2 ZINC000842795069 653767814 /nfs/dbraw/zinc/76/78/14/653767814.db2.gz HAAIUFOYPIZLPR-UHFFFAOYSA-N 1 1 380.253 2.450 20 5 GEBDMO C[N@H+]1CC[C@H]2CN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866205489 653788806 /nfs/dbraw/zinc/78/88/06/653788806.db2.gz MRKMLRUVDGDQLS-JQWIXIFHSA-N 1 1 375.397 2.122 20 5 GEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000866541127 653801370 /nfs/dbraw/zinc/80/13/70/653801370.db2.gz WTDVVFIBIJVFEZ-QMTHXVAHSA-N 1 1 382.258 2.499 20 5 GEBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000896259099 653871369 /nfs/dbraw/zinc/87/13/69/653871369.db2.gz RBRUZAJGSOQPFQ-MRVPVSSYSA-N 1 1 380.203 2.491 20 5 GEBDMO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000884956285 653897743 /nfs/dbraw/zinc/89/77/43/653897743.db2.gz ZQKSOAUMWPWYCL-UWVGGRQHSA-N 1 1 377.825 2.292 20 5 GEBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000885876776 653961090 /nfs/dbraw/zinc/96/10/90/653961090.db2.gz YDSGFUDGOCEXFK-AWEZNQCLSA-N 1 1 398.257 2.340 20 5 GEBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)C2)C1 ZINC000868534954 654042136 /nfs/dbraw/zinc/04/21/36/654042136.db2.gz NRCSFAPADDHSGI-MRXNPFEDSA-N 1 1 382.258 2.454 20 5 GEBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798173621 654052743 /nfs/dbraw/zinc/05/27/43/654052743.db2.gz YMKWSHSIFKZBER-UHFFFAOYSA-N 1 1 382.218 2.467 20 5 GEBDMO C[C@@H]1[C@H](C)N(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000802994277 654254743 /nfs/dbraw/zinc/25/47/43/654254743.db2.gz UHXQSZQALCIVNI-NEPJUHHUSA-N 1 1 399.289 2.345 20 5 GEBDMO O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000908201951 654612980 /nfs/dbraw/zinc/61/29/80/654612980.db2.gz NNDGMTFULYRSBP-DTWKUNHWSA-N 1 1 392.214 2.322 20 5 GEBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000933447140 654813827 /nfs/dbraw/zinc/81/38/27/654813827.db2.gz UWZIBQOPPCUEKY-KOLCDFICSA-N 1 1 385.262 2.494 20 5 GEBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccc3cccc([N+](=O)[O-])c3n1)CC2 ZINC001164684280 719716473 /nfs/dbraw/zinc/71/64/73/719716473.db2.gz OISSJDAJODNSGF-UHFFFAOYSA-N 1 1 383.452 2.324 20 5 GEBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc3ccccc3cc1[N+](=O)[O-])CC2 ZINC001164686802 719728402 /nfs/dbraw/zinc/72/84/02/719728402.db2.gz UFKORCVNBJLPLN-UHFFFAOYSA-N 1 1 383.452 2.324 20 5 GEBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC001164805856 720092190 /nfs/dbraw/zinc/09/21/90/720092190.db2.gz ABAOKUYKPZETJR-RDTXWAMCSA-N 1 1 391.428 2.083 20 5 GEBDMO Cc1nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)ccc1[N+](=O)[O-] ZINC001164814595 720210765 /nfs/dbraw/zinc/21/07/65/720210765.db2.gz VBDBNYBQWIMJPI-UHFFFAOYSA-N 1 1 386.456 2.105 20 5 GEBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737892 720730955 /nfs/dbraw/zinc/73/09/55/720730955.db2.gz DIZGMCIJJUUULC-HOTGVXAUSA-N 1 1 392.419 2.275 20 5 GEBDMO Cc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c([N+](=O)[O-])c1 ZINC001164747767 720811514 /nfs/dbraw/zinc/81/15/14/720811514.db2.gz PJSHCQQYYUGBJG-KZNAEPCWSA-N 1 1 397.483 2.269 20 5 GEBDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(C)cc(Cl)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164853711 720848493 /nfs/dbraw/zinc/84/84/93/720848493.db2.gz OQQXVQCAJFABOY-ZFWWWQNUSA-N 1 1 384.864 2.125 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc(Cl)cc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164771588 721077458 /nfs/dbraw/zinc/07/74/58/721077458.db2.gz SCESOHNZPJJYLU-ZIAGYGMSSA-N 1 1 376.848 2.335 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(Cl)ncc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164761585 721090126 /nfs/dbraw/zinc/09/01/26/721090126.db2.gz CAZFBSAKTFYWKA-KBPBESRZSA-N 1 1 376.848 2.335 20 5 GEBDMO COc1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164904640 721530140 /nfs/dbraw/zinc/53/01/40/721530140.db2.gz FUUAQAMSAZEPIS-YOEHRIQHSA-N 1 1 388.399 2.479 20 5 GEBDMO COc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC001164805294 721538506 /nfs/dbraw/zinc/53/85/06/721538506.db2.gz LLRKNKCKCLECCM-VDZJLULYSA-N 1 1 399.451 2.262 20 5 GEBDMO COc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC001164805294 721538509 /nfs/dbraw/zinc/53/85/09/721538509.db2.gz LLRKNKCKCLECCM-VDZJLULYSA-N 1 1 399.451 2.262 20 5 GEBDMO COc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC001164807196 721549741 /nfs/dbraw/zinc/54/97/41/721549741.db2.gz QFFCPRKFTBDMAT-YTQUADARSA-N 1 1 399.451 2.262 20 5 GEBDMO COc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC001164807196 721549742 /nfs/dbraw/zinc/54/97/42/721549742.db2.gz QFFCPRKFTBDMAT-YTQUADARSA-N 1 1 399.451 2.262 20 5 GEBDMO COc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c([N+](=O)[O-])c1 ZINC001164807194 721550418 /nfs/dbraw/zinc/55/04/18/721550418.db2.gz QFFCPRKFTBDMAT-NZSAHSFTSA-N 1 1 399.451 2.262 20 5 GEBDMO COc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c([N+](=O)[O-])c1 ZINC001164807194 721550420 /nfs/dbraw/zinc/55/04/20/721550420.db2.gz QFFCPRKFTBDMAT-NZSAHSFTSA-N 1 1 399.451 2.262 20 5 GEBDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001164932465 721856777 /nfs/dbraw/zinc/85/67/77/721856777.db2.gz XYFZVLHMZKODEH-LSDHHAIUSA-N 1 1 390.875 2.406 20 5 GEBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001164932465 721856779 /nfs/dbraw/zinc/85/67/79/721856779.db2.gz XYFZVLHMZKODEH-LSDHHAIUSA-N 1 1 390.875 2.406 20 5 GEBDMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001164934369 721877415 /nfs/dbraw/zinc/87/74/15/721877415.db2.gz QVBGUXCPQHQVKE-MOPGFXCFSA-N 1 1 382.468 2.266 20 5 GEBDMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001164934369 721877417 /nfs/dbraw/zinc/87/74/17/721877417.db2.gz QVBGUXCPQHQVKE-MOPGFXCFSA-N 1 1 382.468 2.266 20 5 GEBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967567 722070396 /nfs/dbraw/zinc/07/03/96/722070396.db2.gz PZYZFCKOCBWLMB-BETUJISGSA-N 1 1 389.843 2.491 20 5 GEBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c2c1 ZINC001164967959 722070425 /nfs/dbraw/zinc/07/04/25/722070425.db2.gz WJSMKJJRCBHAKX-OKILXGFUSA-N 1 1 389.843 2.491 20 5 GEBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(F)c1 ZINC001164982547 722109902 /nfs/dbraw/zinc/10/99/02/722109902.db2.gz WZROOKZCQFBGHA-QAPCUYQASA-N 1 1 387.415 2.251 20 5 GEBDMO O=C(NCCC[NH+]1CCOCC1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155144768 531660299 /nfs/dbraw/zinc/66/02/99/531660299.db2.gz SMMLWVIZWCFWPW-UHFFFAOYSA-N 1 1 387.234 2.201 20 5 GEBDMO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000171421892 531905542 /nfs/dbraw/zinc/90/55/42/531905542.db2.gz HZZZSEYRKJTCGZ-LLVKDONJSA-N 1 1 392.275 2.120 20 5 GEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121329776 532022921 /nfs/dbraw/zinc/02/29/21/532022921.db2.gz GSMLAURODLEUHU-LBPRGKRZSA-N 1 1 386.246 2.198 20 5 GEBDMO C[N@H+](Cc1csc(Br)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174752387 532077544 /nfs/dbraw/zinc/07/75/44/532077544.db2.gz GBVFVTUESHWLSY-LLVKDONJSA-N 1 1 375.248 2.108 20 5 GEBDMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000177346285 532168279 /nfs/dbraw/zinc/16/82/79/532168279.db2.gz ACOHBEGPZSLFMD-GFCCVEGCSA-N 1 1 398.257 2.152 20 5 GEBDMO Cc1c(Br)cc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000127941366 532159458 /nfs/dbraw/zinc/15/94/58/532159458.db2.gz NORMDQTTXYCZKF-IINYFYTJSA-N 1 1 386.246 2.115 20 5 GEBDMO Cc1c(Br)cc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000127941366 532159463 /nfs/dbraw/zinc/15/94/63/532159463.db2.gz NORMDQTTXYCZKF-IINYFYTJSA-N 1 1 386.246 2.115 20 5 GEBDMO Cc1c(Br)cc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000127940890 532159548 /nfs/dbraw/zinc/15/95/48/532159548.db2.gz NORMDQTTXYCZKF-HZMBPMFUSA-N 1 1 386.246 2.115 20 5 GEBDMO Cc1c(Br)cc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000127940890 532159553 /nfs/dbraw/zinc/15/95/53/532159553.db2.gz NORMDQTTXYCZKF-HZMBPMFUSA-N 1 1 386.246 2.115 20 5 GEBDMO C[NH+](C)CCN(Cc1ccccn1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181531952 532300995 /nfs/dbraw/zinc/30/09/95/532300995.db2.gz RIWXJHUQEPHPGD-UHFFFAOYSA-N 1 1 384.483 2.023 20 5 GEBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000184300958 532331797 /nfs/dbraw/zinc/33/17/97/532331797.db2.gz IQULFRCAFAROIK-GFCCVEGCSA-N 1 1 399.289 2.113 20 5 GEBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000184412936 532332673 /nfs/dbraw/zinc/33/26/73/532332673.db2.gz IZXAFVPOKZJKKV-GFCCVEGCSA-N 1 1 399.289 2.113 20 5 GEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000192984912 532415134 /nfs/dbraw/zinc/41/51/34/532415134.db2.gz BIQDTJMKSYYPIC-CQSZACIVSA-N 1 1 381.479 2.457 20 5 GEBDMO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ncc(Br)cn1 ZINC000432995701 532551690 /nfs/dbraw/zinc/55/16/90/532551690.db2.gz YFLNGIKGRXAAPA-GXFFZTMASA-N 1 1 397.229 2.238 20 5 GEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000285685144 532698418 /nfs/dbraw/zinc/69/84/18/532698418.db2.gz HWKVLIYMNFJJLD-GJZGRUSLSA-N 1 1 398.257 2.211 20 5 GEBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301824456 532760457 /nfs/dbraw/zinc/76/04/57/532760457.db2.gz NVOADIZZXNVUOB-CQSZACIVSA-N 1 1 397.273 2.276 20 5 GEBDMO Cc1c(Br)cc(C(=O)NCC[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000510439788 532772999 /nfs/dbraw/zinc/77/29/99/532772999.db2.gz AYBDUQIOKDTVEX-UHFFFAOYSA-N 1 1 388.287 2.444 20 5 GEBDMO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC000274874584 532858249 /nfs/dbraw/zinc/85/82/49/532858249.db2.gz GHVUCRUSBZOFAG-LLVKDONJSA-N 1 1 384.845 2.272 20 5 GEBDMO CN1CCC([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000290035750 532870672 /nfs/dbraw/zinc/87/06/72/532870672.db2.gz WDVRLNXYHJHPAD-UHFFFAOYSA-N 1 1 375.210 2.383 20 5 GEBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000416396035 532875493 /nfs/dbraw/zinc/87/54/93/532875493.db2.gz ZCEHCXHGDONATQ-JTQLQIEISA-N 1 1 379.360 2.129 20 5 GEBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000416396035 532875497 /nfs/dbraw/zinc/87/54/97/532875497.db2.gz ZCEHCXHGDONATQ-JTQLQIEISA-N 1 1 379.360 2.129 20 5 GEBDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000362635461 532896628 /nfs/dbraw/zinc/89/66/28/532896628.db2.gz ALSHZCBPGDNLSN-OAHLLOKOSA-N 1 1 381.479 2.447 20 5 GEBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000363676279 532900047 /nfs/dbraw/zinc/90/00/47/532900047.db2.gz VURUVANPJVMINK-NSHDSACASA-N 1 1 384.483 2.488 20 5 GEBDMO CN1CC[NH+](CCCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291502589 532903077 /nfs/dbraw/zinc/90/30/77/532903077.db2.gz VPWNXJPLYDDDLL-UHFFFAOYSA-N 1 1 375.256 2.269 20 5 GEBDMO C[N@H+]1CC[C@]2(CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C2)C1 ZINC000292057085 532912390 /nfs/dbraw/zinc/91/23/90/532912390.db2.gz OGEOAEOBAIHRDQ-AWEZNQCLSA-N 1 1 377.825 2.104 20 5 GEBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736266167 598869575 /nfs/dbraw/zinc/86/95/75/598869575.db2.gz GLJZEQXIXNPOTN-KGLIPLIRSA-N 1 1 386.460 2.261 20 5 GEBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736266169 598869827 /nfs/dbraw/zinc/86/98/27/598869827.db2.gz GLJZEQXIXNPOTN-ZIAGYGMSSA-N 1 1 386.460 2.261 20 5 GEBDMO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000737031941 598982420 /nfs/dbraw/zinc/98/24/20/598982420.db2.gz IPLZGYOQMSWLAU-UHFFFAOYSA-N 1 1 384.396 2.294 20 5 GEBDMO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000737031941 598982422 /nfs/dbraw/zinc/98/24/22/598982422.db2.gz IPLZGYOQMSWLAU-UHFFFAOYSA-N 1 1 384.396 2.294 20 5 GEBDMO C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1Cc1ccccc1 ZINC000820727074 599109305 /nfs/dbraw/zinc/10/93/05/599109305.db2.gz GJYWXAWRZSJJNO-AWEZNQCLSA-N 1 1 394.439 2.271 20 5 GEBDMO O=[N+]([O-])c1ccc(NCCNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)cc1 ZINC000738370368 599260602 /nfs/dbraw/zinc/26/06/02/599260602.db2.gz PATYSSAWNFZJKL-UHFFFAOYSA-N 1 1 376.380 2.269 20 5 GEBDMO C[C@@H](c1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)c1)[NH+]1CCOCC1 ZINC000736199010 598501786 /nfs/dbraw/zinc/50/17/86/598501786.db2.gz LWGYJYJKNNHTPG-LBPRGKRZSA-N 1 1 396.411 2.307 20 5 GEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000737194511 598816456 /nfs/dbraw/zinc/81/64/56/598816456.db2.gz MUVPCOLHNRGXLX-CQSZACIVSA-N 1 1 379.424 2.486 20 5 GEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821623130 599559517 /nfs/dbraw/zinc/55/95/17/599559517.db2.gz DKYSLUMQYXICJB-GFCCVEGCSA-N 1 1 382.428 2.101 20 5 GEBDMO O=[N+]([O-])c1cc(C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c2c(c1)COCO2 ZINC000826497926 607706740 /nfs/dbraw/zinc/70/67/40/607706740.db2.gz ZDDBQKDKOZNVOH-UHFFFAOYSA-N 1 1 394.391 2.420 20 5 GEBDMO CS[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@H]1[NH+]1CCCC1 ZINC000445710928 649964286 /nfs/dbraw/zinc/96/42/86/649964286.db2.gz BHAAZUGDUKFOHE-OLZOCXBDSA-N 1 1 391.540 2.165 20 5 GEBDMO CC(C)[N@H+]1CC[C@H](CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820129306 606797378 /nfs/dbraw/zinc/79/73/78/606797378.db2.gz YOOYMPVJAXWHKE-GFCCVEGCSA-N 1 1 382.428 2.465 20 5 GEBDMO C[N@H+]1CCC[C@@H]2CN(c3cc(-c4nn[nH]n4)c4cc([N+](=O)[O-])ccc4n3)CC[C@@H]21 ZINC000821625061 607030243 /nfs/dbraw/zinc/03/02/43/607030243.db2.gz FALKAARTJCOKPK-PXAZEXFGSA-N 1 1 394.439 2.244 20 5 GEBDMO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000826170021 608355205 /nfs/dbraw/zinc/35/52/05/608355205.db2.gz MHEDRWNOGHKCON-UHFFFAOYSA-N 1 1 395.423 2.106 20 5 GEBDMO C[C@H]1Cc2ccc(Br)cc2C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000501437512 650392193 /nfs/dbraw/zinc/39/21/93/650392193.db2.gz WHEVDGOQXCINGZ-ZBEGNZNMSA-N 1 1 395.257 2.362 20 5 GEBDMO C[C@H]1Cc2ccc(Br)cc2C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000501437512 650392195 /nfs/dbraw/zinc/39/21/95/650392195.db2.gz WHEVDGOQXCINGZ-ZBEGNZNMSA-N 1 1 395.257 2.362 20 5 GEBDMO CC[N@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000511544348 650538504 /nfs/dbraw/zinc/53/85/04/650538504.db2.gz YNTUYZKFCKFADQ-LLVKDONJSA-N 1 1 385.262 2.322 20 5 GEBDMO C[C@@H](CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000066578005 642923104 /nfs/dbraw/zinc/92/31/04/642923104.db2.gz LXGSQSVCGCMHAQ-VIFPVBQESA-N 1 1 392.275 2.118 20 5 GEBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H](O)[C@@H](O)C3)o2)c(Br)c1 ZINC000093483710 643077117 /nfs/dbraw/zinc/07/71/17/643077117.db2.gz GPVFOVODQBMNOD-OKILXGFUSA-N 1 1 383.198 2.155 20 5 GEBDMO CC[N@@H+](CCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000103159619 643157023 /nfs/dbraw/zinc/15/70/23/643157023.db2.gz KNQZDDSPIPHIFQ-UHFFFAOYSA-N 1 1 392.275 2.120 20 5 GEBDMO C[C@@H](CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000120287977 643598433 /nfs/dbraw/zinc/59/84/33/643598433.db2.gz QDXFRQRRRFPNJU-VIFPVBQESA-N 1 1 392.275 2.118 20 5 GEBDMO Cc1c(Br)c(N2CCN(c3ccc(N)[nH+]c3)CC2)ncc1[N+](=O)[O-] ZINC000541577374 650878014 /nfs/dbraw/zinc/87/80/14/650878014.db2.gz HZTRNXXIIHCFJL-UHFFFAOYSA-N 1 1 393.245 2.365 20 5 GEBDMO COCC[N@@H+](C)CCCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000164155305 644259181 /nfs/dbraw/zinc/25/91/81/644259181.db2.gz BTLDYQLITQYAAE-UHFFFAOYSA-N 1 1 388.262 2.364 20 5 GEBDMO C[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000183196958 644986991 /nfs/dbraw/zinc/98/69/91/644986991.db2.gz SIZMNRRILMKPBQ-GFCCVEGCSA-N 1 1 387.889 2.425 20 5 GEBDMO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000268155371 645948715 /nfs/dbraw/zinc/94/87/15/645948715.db2.gz NNXPCEMNAVNDJN-ZYHUDNBSSA-N 1 1 377.413 2.368 20 5 GEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000268155371 645948719 /nfs/dbraw/zinc/94/87/19/645948719.db2.gz NNXPCEMNAVNDJN-ZYHUDNBSSA-N 1 1 377.413 2.368 20 5 GEBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000269519434 646044610 /nfs/dbraw/zinc/04/46/10/646044610.db2.gz JWOZDJBHPCKORC-UHFFFAOYSA-N 1 1 394.229 2.053 20 5 GEBDMO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000331319423 647380241 /nfs/dbraw/zinc/38/02/41/647380241.db2.gz BOLFTRCKHHNYSX-SNVBAGLBSA-N 1 1 392.275 2.120 20 5 GEBDMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000331319423 647380245 /nfs/dbraw/zinc/38/02/45/647380245.db2.gz BOLFTRCKHHNYSX-SNVBAGLBSA-N 1 1 392.275 2.120 20 5 GEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000331369114 647382405 /nfs/dbraw/zinc/38/24/05/647382405.db2.gz CKCUFLNVRAZQBQ-MEBBXXQBSA-N 1 1 382.258 2.499 20 5 GEBDMO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000362334627 647569661 /nfs/dbraw/zinc/56/96/61/647569661.db2.gz HXINQOPVJYGURQ-CYBMUJFWSA-N 1 1 381.479 2.447 20 5 GEBDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000362334627 647569672 /nfs/dbraw/zinc/56/96/72/647569672.db2.gz HXINQOPVJYGURQ-CYBMUJFWSA-N 1 1 381.479 2.447 20 5 GEBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1C[C@@H]2[C@H]3CCCC[N@@H+]3C[C@H]2C1 ZINC000363260504 647589904 /nfs/dbraw/zinc/58/99/04/647589904.db2.gz WXAHUCRKWXVXMF-FPMFFAJLSA-N 1 1 385.873 2.353 20 5 GEBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000364936540 647650413 /nfs/dbraw/zinc/65/04/13/647650413.db2.gz OSXXLVUSLRVKSK-LBPRGKRZSA-N 1 1 387.889 2.255 20 5 GEBDMO COCC[N@@H+]1CCCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])CC1 ZINC000365660772 647680325 /nfs/dbraw/zinc/68/03/25/647680325.db2.gz NPQCTGXZSRUAPZ-UHFFFAOYSA-N 1 1 392.275 2.213 20 5 GEBDMO COCC[N@H+]1CCCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])CC1 ZINC000365660772 647680328 /nfs/dbraw/zinc/68/03/28/647680328.db2.gz NPQCTGXZSRUAPZ-UHFFFAOYSA-N 1 1 392.275 2.213 20 5 GEBDMO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000408198389 647936124 /nfs/dbraw/zinc/93/61/24/647936124.db2.gz MUNMBIHXEQPQGB-LBPRGKRZSA-N 1 1 393.241 2.426 20 5 GEBDMO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000408198389 647936127 /nfs/dbraw/zinc/93/61/27/647936127.db2.gz MUNMBIHXEQPQGB-LBPRGKRZSA-N 1 1 393.241 2.426 20 5 GEBDMO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416410162 648116128 /nfs/dbraw/zinc/11/61/28/648116128.db2.gz WTGNKWVULIAJTK-LLVKDONJSA-N 1 1 381.376 2.328 20 5 GEBDMO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416410162 648116133 /nfs/dbraw/zinc/11/61/33/648116133.db2.gz WTGNKWVULIAJTK-LLVKDONJSA-N 1 1 381.376 2.328 20 5 GEBDMO C[N@H+]1CCCN(CCCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000610572566 651671633 /nfs/dbraw/zinc/67/16/33/651671633.db2.gz STZNPJWEFMEUKD-UHFFFAOYSA-N 1 1 399.289 2.115 20 5 GEBDMO CN1CCC[N@H+](CCCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000610572566 651671635 /nfs/dbraw/zinc/67/16/35/651671635.db2.gz STZNPJWEFMEUKD-UHFFFAOYSA-N 1 1 399.289 2.115 20 5 GEBDMO CN1CCC[N@@H+](CCCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000610572566 651671639 /nfs/dbraw/zinc/67/16/39/651671639.db2.gz STZNPJWEFMEUKD-UHFFFAOYSA-N 1 1 399.289 2.115 20 5 GEBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000619475611 652060699 /nfs/dbraw/zinc/06/06/99/652060699.db2.gz SCHSTIIBQRJGNH-ZDUSSCGKSA-N 1 1 385.467 2.246 20 5 GEBDMO Cc1c(Br)c(N2CC[C@H](C[NH+]3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000582632720 652457166 /nfs/dbraw/zinc/45/71/66/652457166.db2.gz HJBJASHLBOWTEW-GFCCVEGCSA-N 1 1 385.262 2.219 20 5 GEBDMO O=[N+]([O-])c1cc(I)ccc1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000589597945 652569669 /nfs/dbraw/zinc/56/96/69/652569669.db2.gz LDWVUTQFTDRRLT-UHFFFAOYSA-N 1 1 399.192 2.249 20 5 GEBDMO O=C1CC[C@H]([NH+]2CCN(c3c(Br)cccc3[N+](=O)[O-])CC2)CCN1 ZINC000596260425 652756108 /nfs/dbraw/zinc/75/61/08/652756108.db2.gz GYPLKRAOFKXBNI-LBPRGKRZSA-N 1 1 397.273 2.148 20 5 GEBDMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000598454140 652816545 /nfs/dbraw/zinc/81/65/45/652816545.db2.gz VLRQWKIORHQMRI-ZDUSSCGKSA-N 1 1 398.257 2.029 20 5 GEBDMO CCOCCC[N@H+]1CC[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000768834992 653129454 /nfs/dbraw/zinc/12/94/54/653129454.db2.gz PYPHYXUHTLRVCV-GXTWGEPZSA-N 1 1 391.515 2.072 20 5 GEBDMO CNC(=O)[C@H](CCSC)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602665143 653199714 /nfs/dbraw/zinc/19/97/14/653199714.db2.gz RDVMDYZBGJPKTB-VIFPVBQESA-N 1 1 382.305 2.376 20 5 GEBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000712334382 653324004 /nfs/dbraw/zinc/32/40/04/653324004.db2.gz IWRPCNHWDILIAK-JTQLQIEISA-N 1 1 389.193 2.023 20 5 GEBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000814990253 653642358 /nfs/dbraw/zinc/64/23/58/653642358.db2.gz JIMCIGVIEUNOFG-VXGBXAGGSA-N 1 1 377.825 2.292 20 5 GEBDMO C[N@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000815024897 653645173 /nfs/dbraw/zinc/64/51/73/653645173.db2.gz ORLNEDGQVZNCDD-GWCFXTLKSA-N 1 1 391.852 2.492 20 5 GEBDMO CN(CCCN1CC[NH+](C)CC1)Cc1cccc([N+](=O)[O-])c1Br ZINC000839533574 653653998 /nfs/dbraw/zinc/65/39/98/653653998.db2.gz KXRHTZTYLISTKU-UHFFFAOYSA-N 1 1 385.306 2.427 20 5 GEBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000843485756 653788057 /nfs/dbraw/zinc/78/80/57/653788057.db2.gz DUSVMQGTWLWCJH-CYBMUJFWSA-N 1 1 378.173 2.270 20 5 GEBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC[C@H]1CC1(Cl)Cl ZINC000823247487 653859745 /nfs/dbraw/zinc/85/97/45/653859745.db2.gz GGENJBDBGOXVHK-NSHDSACASA-N 1 1 396.296 2.389 20 5 GEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000896539990 653883463 /nfs/dbraw/zinc/88/34/63/653883463.db2.gz CMNOWQHCPSJZBV-XHDPSFHLSA-N 1 1 399.289 2.030 20 5 GEBDMO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000884956286 653897781 /nfs/dbraw/zinc/89/77/81/653897781.db2.gz ZQKSOAUMWPWYCL-VHSXEESVSA-N 1 1 377.825 2.292 20 5 GEBDMO C[C@@H](NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)[C@H]1C[N@H+](C)CCO1 ZINC000897077335 653906305 /nfs/dbraw/zinc/90/63/05/653906305.db2.gz KCJDAYAMHFCQHP-GMSGAONNSA-N 1 1 380.203 2.490 20 5 GEBDMO C[C@@H](NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)[C@H]1C[N@@H+](C)CCO1 ZINC000897077335 653906309 /nfs/dbraw/zinc/90/63/09/653906309.db2.gz KCJDAYAMHFCQHP-GMSGAONNSA-N 1 1 380.203 2.490 20 5 GEBDMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000885872043 653960778 /nfs/dbraw/zinc/96/07/78/653960778.db2.gz BFNNXYPADBTDRU-CYBMUJFWSA-N 1 1 398.257 2.340 20 5 GEBDMO C[N@H+]1CC[C@H]2CN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000827233651 653982018 /nfs/dbraw/zinc/98/20/18/653982018.db2.gz QWBHKRJWXDBFEN-GXTWGEPZSA-N 1 1 382.258 2.452 20 5 GEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CC[C@@H]21 ZINC000827308311 653985415 /nfs/dbraw/zinc/98/54/15/653985415.db2.gz BKNOVGRHMCUXGV-DOMZBBRYSA-N 1 1 382.258 2.452 20 5 GEBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000828510136 654038882 /nfs/dbraw/zinc/03/88/82/654038882.db2.gz GYIYYQGDGLHLSA-CABZTGNLSA-N 1 1 383.246 2.106 20 5 GEBDMO C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000900812090 654082062 /nfs/dbraw/zinc/08/20/62/654082062.db2.gz RHHMPABZMKZIKE-BXUZGUMPSA-N 1 1 386.905 2.091 20 5 GEBDMO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889744994 654166351 /nfs/dbraw/zinc/16/63/51/654166351.db2.gz QLBUUYLJAPHCSN-QWHCGFSZSA-N 1 1 398.257 2.029 20 5 GEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000802994280 654254772 /nfs/dbraw/zinc/25/47/72/654254772.db2.gz UHXQSZQALCIVNI-VXGBXAGGSA-N 1 1 399.289 2.345 20 5 GEBDMO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000872781649 654395225 /nfs/dbraw/zinc/39/52/25/654395225.db2.gz WNKLXIXFOVUIQJ-VXGBXAGGSA-N 1 1 375.397 2.264 20 5 GEBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000872781649 654395228 /nfs/dbraw/zinc/39/52/28/654395228.db2.gz WNKLXIXFOVUIQJ-VXGBXAGGSA-N 1 1 375.397 2.264 20 5 GEBDMO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC000930016025 654697455 /nfs/dbraw/zinc/69/74/55/654697455.db2.gz AHHIMFXYSALYEB-AWEZNQCLSA-N 1 1 375.219 2.415 20 5 GEBDMO O=[N+]([O-])c1ccc(Br)c(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000934271276 654842137 /nfs/dbraw/zinc/84/21/37/654842137.db2.gz FCIOQOXPMODHNE-HOTGVXAUSA-N 1 1 384.274 2.388 20 5 GEBDMO O=[N+]([O-])c1ccc(Br)c(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000934271277 654842225 /nfs/dbraw/zinc/84/22/25/654842225.db2.gz FCIOQOXPMODHNE-HZPDHXFCSA-N 1 1 384.274 2.388 20 5 GEBDMO COC(=O)c1ccnc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164726558 720395880 /nfs/dbraw/zinc/39/58/80/720395880.db2.gz PNAWBUYDJHNMEA-HZPDHXFCSA-N 1 1 383.408 2.025 20 5 GEBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164727871 720408670 /nfs/dbraw/zinc/40/86/70/720408670.db2.gz SAICEVHMAWEEFH-QZTJIDSGSA-N 1 1 397.435 2.415 20 5 GEBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835957 720595517 /nfs/dbraw/zinc/59/55/17/720595517.db2.gz DAJCJQMMDRPRBA-UWWQBHOKSA-N 1 1 385.472 2.146 20 5 GEBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc([N+](=O)[O-])cc[n+]1[O-])CC2 ZINC001164844209 720660114 /nfs/dbraw/zinc/66/01/14/720660114.db2.gz YLPGGHLSZHIVJG-IBGZPJMESA-N 1 1 398.463 2.488 20 5 GEBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164751920 720803848 /nfs/dbraw/zinc/80/38/48/720803848.db2.gz YDFUYZZAGUPLKR-DLBZAZTESA-N 1 1 392.419 2.275 20 5 GEBDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)c(C)cc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164849278 720847845 /nfs/dbraw/zinc/84/78/45/720847845.db2.gz BWBMKNPNNQBSEE-ZFWWWQNUSA-N 1 1 384.864 2.125 20 5 GEBDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164861757 720865704 /nfs/dbraw/zinc/86/57/04/720865704.db2.gz YNHCOKFEKVDWAG-QFBILLFUSA-N 1 1 386.452 2.317 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cnc5ccc([N+](=O)[O-])cc5n4)C[C@H]3C2)cn1 ZINC001164772680 721085413 /nfs/dbraw/zinc/08/54/13/721085413.db2.gz VRNKKQMWEUFWHY-HZPDHXFCSA-N 1 1 393.451 2.230 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc5[nH]cc([N+](=O)[O-])c5n4)C[C@H]3C2)cn1 ZINC001164768294 721158872 /nfs/dbraw/zinc/15/88/72/721158872.db2.gz OEKNWYLPMFGKSC-LSDHHAIUSA-N 1 1 381.440 2.163 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc5[nH]cc([N+](=O)[O-])c5n4)C[C@@H]3C2)cn1 ZINC001164768290 721159072 /nfs/dbraw/zinc/15/90/72/721159072.db2.gz OEKNWYLPMFGKSC-GJZGRUSLSA-N 1 1 381.440 2.163 20 5 GEBDMO Cc1nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ccc1[N+](=O)[O-] ZINC001164894037 721383104 /nfs/dbraw/zinc/38/31/04/721383104.db2.gz WJJRSKLYXWRBPP-YLJYHZDGSA-N 1 1 389.500 2.064 20 5 GEBDMO COc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164984754 722106119 /nfs/dbraw/zinc/10/61/19/722106119.db2.gz UVAOGCRFIIDNGV-AEFFLSMTSA-N 1 1 399.451 2.121 20 5 GEBDMO C[NH+]1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000159779826 531793690 /nfs/dbraw/zinc/79/36/90/531793690.db2.gz ZBFWAXGWUIKSQK-UHFFFAOYSA-N 1 1 399.289 2.115 20 5 GEBDMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000162163756 531834769 /nfs/dbraw/zinc/83/47/69/531834769.db2.gz DTYYKJIPPOVIDG-LLVKDONJSA-N 1 1 392.275 2.120 20 5 GEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177108148 532161567 /nfs/dbraw/zinc/16/15/67/532161567.db2.gz OSTYKLAFLCXCRP-LBPRGKRZSA-N 1 1 386.246 2.198 20 5 GEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3Br)[C@H]2C1 ZINC000295527659 532456439 /nfs/dbraw/zinc/45/64/39/532456439.db2.gz GTWMRKWAMBCRDI-UONOGXRCSA-N 1 1 398.257 2.293 20 5 GEBDMO O=[N+]([O-])c1cc2c(ncnc2NC[C@]2([NH+]3CCOCC3)CCSC2)s1 ZINC000376075646 532593928 /nfs/dbraw/zinc/59/39/28/532593928.db2.gz XSPZPXQXLTVSAC-OAHLLOKOSA-N 1 1 381.483 2.219 20 5 GEBDMO Cc1c(Br)cc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000473905831 532602494 /nfs/dbraw/zinc/60/24/94/532602494.db2.gz ZEJAZMGZKONZEJ-JTQLQIEISA-N 1 1 392.275 2.038 20 5 GEBDMO Cc1c(Br)cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000473905831 532602499 /nfs/dbraw/zinc/60/24/99/532602499.db2.gz ZEJAZMGZKONZEJ-JTQLQIEISA-N 1 1 392.275 2.038 20 5 GEBDMO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000284958050 532634926 /nfs/dbraw/zinc/63/49/26/532634926.db2.gz AHBMTOWKNOYINA-SECBINFHSA-N 1 1 377.825 2.150 20 5 GEBDMO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000284958050 532634930 /nfs/dbraw/zinc/63/49/30/532634930.db2.gz AHBMTOWKNOYINA-SECBINFHSA-N 1 1 377.825 2.150 20 5 GEBDMO CCNC(=O)C[N@@H+]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000263797791 532642641 /nfs/dbraw/zinc/64/26/41/532642641.db2.gz ZUJSMHQJGIHHMF-UHFFFAOYSA-N 1 1 385.262 2.006 20 5 GEBDMO CCNC(=O)C[N@H+]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000263797791 532642645 /nfs/dbraw/zinc/64/26/45/532642645.db2.gz ZUJSMHQJGIHHMF-UHFFFAOYSA-N 1 1 385.262 2.006 20 5 GEBDMO Cc1c(Br)cc(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000378256824 532686609 /nfs/dbraw/zinc/68/66/09/532686609.db2.gz ZOMZTBDCUVFYQH-STQMWFEESA-N 1 1 398.257 2.259 20 5 GEBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2cscc2Cl)c1 ZINC000610930595 532720137 /nfs/dbraw/zinc/72/01/37/532720137.db2.gz ISWSENKSEDHJHM-UHFFFAOYSA-N 1 1 375.859 2.378 20 5 GEBDMO CC[NH+]1CCN(C[C@H](C)CNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267205951 532737983 /nfs/dbraw/zinc/73/79/83/532737983.db2.gz GRSISWNYIKNXDW-GFCCVEGCSA-N 1 1 386.294 2.438 20 5 GEBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301707607 532757999 /nfs/dbraw/zinc/75/79/99/532757999.db2.gz JCJIHVDJWRHUMV-OAHLLOKOSA-N 1 1 397.273 2.100 20 5 GEBDMO Cc1cc(Br)ccc1C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000444689865 532751157 /nfs/dbraw/zinc/75/11/57/532751157.db2.gz HRDALLDMXUAWOE-OAHLLOKOSA-N 1 1 383.246 2.355 20 5 GEBDMO O=[N+]([O-])c1ccccc1C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000509400587 532768806 /nfs/dbraw/zinc/76/88/06/532768806.db2.gz FPDMOPLFATYOAK-UHFFFAOYSA-N 1 1 387.820 2.455 20 5 GEBDMO Cc1cc(NC[C@@](C)(O)C[NH+]2CCOCC2)c(Br)cc1[N+](=O)[O-] ZINC000302712450 532772822 /nfs/dbraw/zinc/77/28/22/532772822.db2.gz XIFFOYUQCCUVJE-OAHLLOKOSA-N 1 1 388.262 2.161 20 5 GEBDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554934388 532806487 /nfs/dbraw/zinc/80/64/87/532806487.db2.gz LRKRRXUTTGARMP-VIFPVBQESA-N 1 1 392.193 2.440 20 5 GEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000330592921 532821847 /nfs/dbraw/zinc/82/18/47/532821847.db2.gz PENKNEFQDAMLDH-WDEREUQCSA-N 1 1 385.262 2.320 20 5 GEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH+]2CCCCC2)c(Br)c1 ZINC000331345862 532838183 /nfs/dbraw/zinc/83/81/83/532838183.db2.gz QWTGDXSECZMYOA-UHFFFAOYSA-N 1 1 392.275 2.122 20 5 GEBDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000290127898 532873250 /nfs/dbraw/zinc/87/32/50/532873250.db2.gz ZGXDDADBSKUWHM-SECBINFHSA-N 1 1 391.209 2.013 20 5 GEBDMO C[C@H]1CC[N@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416384486 532874784 /nfs/dbraw/zinc/87/47/84/532874784.db2.gz FCMIWMFAHARZFZ-JTQLQIEISA-N 1 1 381.376 2.328 20 5 GEBDMO C[C@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416384486 532874786 /nfs/dbraw/zinc/87/47/86/532874786.db2.gz FCMIWMFAHARZFZ-JTQLQIEISA-N 1 1 381.376 2.328 20 5 GEBDMO CC[N@@H+](C)C[C@@H]1CCN(c2c(I)cncc2[N+](=O)[O-])C1 ZINC000418909245 532881650 /nfs/dbraw/zinc/88/16/50/532881650.db2.gz NSECGPGQNDWTGY-JTQLQIEISA-N 1 1 390.225 2.372 20 5 GEBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000367492577 532925692 /nfs/dbraw/zinc/92/56/92/532925692.db2.gz IQLDJCKJEJEOFX-GXTWGEPZSA-N 1 1 399.245 2.342 20 5 GEBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736266168 598870072 /nfs/dbraw/zinc/87/00/72/598870072.db2.gz GLJZEQXIXNPOTN-UONOGXRCSA-N 1 1 386.460 2.261 20 5 GEBDMO C[C@H](c1cccnc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736201376 598943949 /nfs/dbraw/zinc/94/39/49/598943949.db2.gz DKTAAECSXZKHKB-CYBMUJFWSA-N 1 1 380.412 2.053 20 5 GEBDMO CC[N@H+]1CCC[C@H]1CN(C)c1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821266665 606141903 /nfs/dbraw/zinc/14/19/03/606141903.db2.gz GBEGTCXUERDWEE-ZDUSSCGKSA-N 1 1 382.428 2.244 20 5 GEBDMO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000823620316 606710937 /nfs/dbraw/zinc/71/09/37/606710937.db2.gz KEZYXSCDPMMIHQ-CQSZACIVSA-N 1 1 380.412 2.246 20 5 GEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820760961 606714993 /nfs/dbraw/zinc/71/49/93/606714993.db2.gz UOSNWXZWAOESFY-CZUORRHYSA-N 1 1 394.439 2.492 20 5 GEBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000826364422 607904871 /nfs/dbraw/zinc/90/48/71/607904871.db2.gz WBIQGJBUYKNLTP-LLVKDONJSA-N 1 1 391.395 2.051 20 5 GEBDMO C[C@@H]([NH2+][C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000824553843 608391891 /nfs/dbraw/zinc/39/18/91/608391891.db2.gz IUYMPYOZBFQMEQ-MFKMUULPSA-N 1 1 399.436 2.293 20 5 GEBDMO C[C@@H]1CC[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447032222 649995284 /nfs/dbraw/zinc/99/52/84/649995284.db2.gz WCFDBNTVHPZMSH-SNVBAGLBSA-N 1 1 381.376 2.328 20 5 GEBDMO C[C@@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447032222 649995288 /nfs/dbraw/zinc/99/52/88/649995288.db2.gz WCFDBNTVHPZMSH-SNVBAGLBSA-N 1 1 381.376 2.328 20 5 GEBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCCC[N@@H+]1CCO ZINC000452795645 650197727 /nfs/dbraw/zinc/19/77/27/650197727.db2.gz JQWLXRRYEBHRHX-CYBMUJFWSA-N 1 1 387.889 2.303 20 5 GEBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H](O)[C@H](CO)C3)o2)c(Br)c1 ZINC000459702146 650430014 /nfs/dbraw/zinc/43/00/14/650430014.db2.gz KZGQHUQKWCTWLR-ZUZCIYMTSA-N 1 1 397.225 2.402 20 5 GEBDMO C[N@@H+](Cc1ccc(F)cc1Br)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000485008054 650692012 /nfs/dbraw/zinc/69/20/12/650692012.db2.gz URGIDEDAHYDNAX-CYBMUJFWSA-N 1 1 387.209 2.186 20 5 GEBDMO C[N@H+](Cc1ccc(F)cc1Br)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000485008054 650692018 /nfs/dbraw/zinc/69/20/18/650692018.db2.gz URGIDEDAHYDNAX-CYBMUJFWSA-N 1 1 387.209 2.186 20 5 GEBDMO C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000533328759 650759864 /nfs/dbraw/zinc/75/98/64/650759864.db2.gz WHVKROZSDOFUEV-JTQLQIEISA-N 1 1 381.376 2.234 20 5 GEBDMO CC[N@H+](CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])CCC(F)(F)F ZINC000494426049 650807754 /nfs/dbraw/zinc/80/77/54/650807754.db2.gz OQOROVZHVUITBA-UHFFFAOYSA-N 1 1 383.392 2.456 20 5 GEBDMO CC[N@@H+](CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])CCC(F)(F)F ZINC000494426049 650807755 /nfs/dbraw/zinc/80/77/55/650807755.db2.gz OQOROVZHVUITBA-UHFFFAOYSA-N 1 1 383.392 2.456 20 5 GEBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000108874394 643284446 /nfs/dbraw/zinc/28/44/46/643284446.db2.gz WLVYYJAVZZHOTM-UHFFFAOYSA-N 1 1 392.275 2.074 20 5 GEBDMO CC[N@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000108874394 643284452 /nfs/dbraw/zinc/28/44/52/643284452.db2.gz WLVYYJAVZZHOTM-UHFFFAOYSA-N 1 1 392.275 2.074 20 5 GEBDMO CC[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000163207459 644252906 /nfs/dbraw/zinc/25/29/06/644252906.db2.gz XFASFAVKZVSJRI-UHFFFAOYSA-N 1 1 381.376 2.376 20 5 GEBDMO CN1CC[N@H+](C)C[C@@H]1c1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000546495837 651000671 /nfs/dbraw/zinc/00/06/71/651000671.db2.gz FOVPMXAGWGJPPW-GFCCVEGCSA-N 1 1 382.218 2.326 20 5 GEBDMO CN1CC[N@@H+](C)C[C@@H]1c1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000546495837 651000673 /nfs/dbraw/zinc/00/06/73/651000673.db2.gz FOVPMXAGWGJPPW-GFCCVEGCSA-N 1 1 382.218 2.326 20 5 GEBDMO CS[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000274715083 646328642 /nfs/dbraw/zinc/32/86/42/646328642.db2.gz ZGNSQTKAYDMCFQ-JKSUJKDBSA-N 1 1 385.511 2.014 20 5 GEBDMO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000278774995 646548096 /nfs/dbraw/zinc/54/80/96/646548096.db2.gz OUIIIBAVFLVGEQ-LLVKDONJSA-N 1 1 385.262 2.442 20 5 GEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000278774995 646548099 /nfs/dbraw/zinc/54/80/99/646548099.db2.gz OUIIIBAVFLVGEQ-LLVKDONJSA-N 1 1 385.262 2.442 20 5 GEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000331369113 647382426 /nfs/dbraw/zinc/38/24/26/647382426.db2.gz CKCUFLNVRAZQBQ-BONVTDFDSA-N 1 1 382.258 2.499 20 5 GEBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000362719708 647572139 /nfs/dbraw/zinc/57/21/39/647572139.db2.gz NMTPWKVBLNYEHY-QWHCGFSZSA-N 1 1 398.257 2.340 20 5 GEBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000362719708 647572144 /nfs/dbraw/zinc/57/21/44/647572144.db2.gz NMTPWKVBLNYEHY-QWHCGFSZSA-N 1 1 398.257 2.340 20 5 GEBDMO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1cccnc1 ZINC000364565809 647636140 /nfs/dbraw/zinc/63/61/40/647636140.db2.gz DTZNSJHVUSSJOU-WFASDCNBSA-N 1 1 382.467 2.023 20 5 GEBDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1cccnc1 ZINC000364565809 647636147 /nfs/dbraw/zinc/63/61/47/647636147.db2.gz DTZNSJHVUSSJOU-WFASDCNBSA-N 1 1 382.467 2.023 20 5 GEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c(Cl)c1 ZINC000365544126 647675269 /nfs/dbraw/zinc/67/52/69/647675269.db2.gz FGIVBBNVBQFHNP-LNSITVRQSA-N 1 1 385.873 2.353 20 5 GEBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2c(I)cncc2[N+](=O)[O-])C1 ZINC000418886807 648321052 /nfs/dbraw/zinc/32/10/52/648321052.db2.gz LRNLATBPPUMSMG-SECBINFHSA-N 1 1 399.192 2.322 20 5 GEBDMO COC(=O)[C@]12C[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C[C@H]1COCC2 ZINC000425469291 648679228 /nfs/dbraw/zinc/67/92/28/648679228.db2.gz DNKVTSVGRIGWBE-BLLLJJGKSA-N 1 1 399.241 2.369 20 5 GEBDMO COC(=O)[C@]12C[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C[C@H]1COCC2 ZINC000425469291 648679237 /nfs/dbraw/zinc/67/92/37/648679237.db2.gz DNKVTSVGRIGWBE-BLLLJJGKSA-N 1 1 399.241 2.369 20 5 GEBDMO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC[N@H+](CCO)CC1 ZINC000610076306 651643923 /nfs/dbraw/zinc/64/39/23/651643923.db2.gz ZCRJIDMPESRAJI-UHFFFAOYSA-N 1 1 395.257 2.410 20 5 GEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c(C(F)(F)F)c1 ZINC000611106989 651707480 /nfs/dbraw/zinc/70/74/80/651707480.db2.gz LCFANHSCCJZDKY-VIFPVBQESA-N 1 1 379.360 2.129 20 5 GEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)c(C(F)(F)F)c1 ZINC000611106989 651707484 /nfs/dbraw/zinc/70/74/84/651707484.db2.gz LCFANHSCCJZDKY-VIFPVBQESA-N 1 1 379.360 2.129 20 5 GEBDMO C[C@H](Cc1ccsc1)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000571752755 651851441 /nfs/dbraw/zinc/85/14/41/651851441.db2.gz QZOASIQXXKVJJW-CYBMUJFWSA-N 1 1 383.495 2.498 20 5 GEBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000619473437 652060650 /nfs/dbraw/zinc/06/06/50/652060650.db2.gz RONGQGXSMJPYJP-GFCCVEGCSA-N 1 1 385.467 2.246 20 5 GEBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000746740159 652124492 /nfs/dbraw/zinc/12/44/92/652124492.db2.gz DASJPANQPUXENK-UHFFFAOYSA-N 1 1 375.859 2.378 20 5 GEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)OCCC[NH+]1CCOCC1 ZINC000756525180 652499960 /nfs/dbraw/zinc/49/99/60/652499960.db2.gz IERSOEQIPGBOIH-UHFFFAOYSA-N 1 1 387.230 2.165 20 5 GEBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599430994 652871019 /nfs/dbraw/zinc/87/10/19/652871019.db2.gz KAHNOPQFASPTRC-UHFFFAOYSA-N 1 1 399.289 2.067 20 5 GEBDMO C[N@H+]1CC[C@H](Cn2nnnc2Sc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000767809126 652951157 /nfs/dbraw/zinc/95/11/57/652951157.db2.gz YRBNBGHALLBCPG-VIFPVBQESA-N 1 1 377.455 2.294 20 5 GEBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000807271213 653188495 /nfs/dbraw/zinc/18/84/95/653188495.db2.gz PAOQJOCFSQOHNR-GFCCVEGCSA-N 1 1 399.289 2.394 20 5 GEBDMO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602610562 653194427 /nfs/dbraw/zinc/19/44/27/653194427.db2.gz BJJKATQUMMACST-GFCCVEGCSA-N 1 1 381.248 2.477 20 5 GEBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=S)NCCC[NH+]1CCOCC1 ZINC000812484281 653428170 /nfs/dbraw/zinc/42/81/70/653428170.db2.gz BHPSLQJHSYUKFO-UHFFFAOYSA-N 1 1 386.905 2.277 20 5 GEBDMO C[N@H+]1C[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000819912288 653762163 /nfs/dbraw/zinc/76/21/63/653762163.db2.gz RIEGEMGLDALJFX-TVQRCGJNSA-N 1 1 377.825 2.102 20 5 GEBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000866541126 653801310 /nfs/dbraw/zinc/80/13/10/653801310.db2.gz WTDVVFIBIJVFEZ-IINYFYTJSA-N 1 1 382.258 2.499 20 5 GEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000866541125 653801340 /nfs/dbraw/zinc/80/13/40/653801340.db2.gz WTDVVFIBIJVFEZ-HZMBPMFUSA-N 1 1 382.258 2.499 20 5 GEBDMO CN(CC[NH+]1CCCCC1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000846039835 653884457 /nfs/dbraw/zinc/88/44/57/653884457.db2.gz ULYDEDYTBAXHPW-UHFFFAOYSA-N 1 1 379.841 2.494 20 5 GEBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884957332 653898094 /nfs/dbraw/zinc/89/80/94/653898094.db2.gz OHDPLSHSTPVLEP-VHSXEESVSA-N 1 1 377.825 2.292 20 5 GEBDMO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000795796333 653967270 /nfs/dbraw/zinc/96/72/70/653967270.db2.gz OHRDPRBDMYLUES-RYUDHWBXSA-N 1 1 377.825 2.292 20 5 GEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795887476 653975210 /nfs/dbraw/zinc/97/52/10/653975210.db2.gz AMUVKGCGWBCIJV-GWCFXTLKSA-N 1 1 391.852 2.492 20 5 GEBDMO C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000867810114 653991113 /nfs/dbraw/zinc/99/11/13/653991113.db2.gz XDBDAFCRTIGOMO-CABZTGNLSA-N 1 1 377.825 2.102 20 5 GEBDMO CN(CC(=O)NC[C@H]1CCC[N@H+]1C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796436835 653997824 /nfs/dbraw/zinc/99/78/24/653997824.db2.gz YOUVJGULEDOIPS-GFCCVEGCSA-N 1 1 385.262 2.004 20 5 GEBDMO C[C@H]1C[C@H](NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000796640547 654002877 /nfs/dbraw/zinc/00/28/77/654002877.db2.gz SCAUNXSULBZLIX-WCQYABFASA-N 1 1 399.289 2.392 20 5 GEBDMO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CCC[N@H+](CCF)C1 ZINC000899219998 654004779 /nfs/dbraw/zinc/00/47/79/654004779.db2.gz GUBAARPBZKBPPF-LBPRGKRZSA-N 1 1 388.237 2.450 20 5 GEBDMO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000899219998 654004781 /nfs/dbraw/zinc/00/47/81/654004781.db2.gz GUBAARPBZKBPPF-LBPRGKRZSA-N 1 1 388.237 2.450 20 5 GEBDMO C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000900810942 654081989 /nfs/dbraw/zinc/08/19/89/654081989.db2.gz IVBYFZVIOZQWLF-TVQRCGJNSA-N 1 1 375.256 2.266 20 5 GEBDMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889767604 654170641 /nfs/dbraw/zinc/17/06/41/654170641.db2.gz IDIOFLUYUMKGOW-KBPBESRZSA-N 1 1 398.257 2.029 20 5 GEBDMO CC[N@H+]1CCN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000802862746 654247341 /nfs/dbraw/zinc/24/73/41/654247341.db2.gz GOASNOYNWXMMGU-LBPRGKRZSA-N 1 1 399.289 2.346 20 5 GEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000802979425 654253597 /nfs/dbraw/zinc/25/35/97/654253597.db2.gz YNCKWLBUPWCJOS-VXGBXAGGSA-N 1 1 399.289 2.345 20 5 GEBDMO O=[N+]([O-])c1cc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)ccc1Br ZINC000852708183 654255506 /nfs/dbraw/zinc/25/55/06/654255506.db2.gz SRFQWHHOOGTSTP-CQSZACIVSA-N 1 1 384.274 2.388 20 5 GEBDMO C[N@@H+]1CCC[C@H]2[C@H]1CCN2c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000872781646 654395305 /nfs/dbraw/zinc/39/53/05/654395305.db2.gz WNKLXIXFOVUIQJ-NEPJUHHUSA-N 1 1 375.397 2.264 20 5 GEBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000872781646 654395309 /nfs/dbraw/zinc/39/53/09/654395309.db2.gz WNKLXIXFOVUIQJ-NEPJUHHUSA-N 1 1 375.397 2.264 20 5 GEBDMO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cc([N+](=O)[O-])ccc1Br)C2 ZINC000923429221 654452233 /nfs/dbraw/zinc/45/22/33/654452233.db2.gz ROFGDTQSXKPXEL-OZVIIMIRSA-N 1 1 398.257 2.070 20 5 GEBDMO CCC[N@H+]1CC[C@H](NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000856073724 654460151 /nfs/dbraw/zinc/46/01/51/654460151.db2.gz WCCWGFNAFZVWNL-ZDUSSCGKSA-N 1 1 399.289 2.394 20 5 GEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2cncc(Br)c2)c1 ZINC000932249917 654772308 /nfs/dbraw/zinc/77/23/08/654772308.db2.gz HBYPAZOUKNLYAF-HUUCEWRRSA-N 1 1 396.245 2.147 20 5 GEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2c2cncc(Br)c2)c1 ZINC000932249917 654772310 /nfs/dbraw/zinc/77/23/10/654772310.db2.gz HBYPAZOUKNLYAF-HUUCEWRRSA-N 1 1 396.245 2.147 20 5 GEBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc([N+](=O)[O-])c(OC)n1)C2 ZINC001164810383 720087030 /nfs/dbraw/zinc/08/70/30/720087030.db2.gz LKBHMUAWCNCZCM-HNAYVOBHSA-N 1 1 376.457 2.183 20 5 GEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164729498 720482526 /nfs/dbraw/zinc/48/25/26/720482526.db2.gz RFCALSNDDOCCBN-HZPDHXFCSA-N 1 1 383.408 2.025 20 5 GEBDMO Cc1cc([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1Cl ZINC001164737250 720668205 /nfs/dbraw/zinc/66/82/05/720668205.db2.gz DUMSXUJEXGDKDC-CHWSQXEVSA-N 1 1 390.831 2.084 20 5 GEBDMO O=[N+]([O-])c1cccc2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc21 ZINC001164736683 720685712 /nfs/dbraw/zinc/68/57/12/720685712.db2.gz AKPZASOTNVVSOL-HZPDHXFCSA-N 1 1 392.419 2.275 20 5 GEBDMO Cc1nc(Cl)nc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164762980 721074986 /nfs/dbraw/zinc/07/49/86/721074986.db2.gz FPWLKYRFSUWYRB-ZIAGYGMSSA-N 1 1 391.863 2.038 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cnc5ccc([N+](=O)[O-])cc5n4)C[C@@H]3C2)cn1 ZINC001164772678 721086241 /nfs/dbraw/zinc/08/62/41/721086241.db2.gz VRNKKQMWEUFWHY-CVEARBPZSA-N 1 1 393.451 2.230 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(Cl)ncc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164761586 721089731 /nfs/dbraw/zinc/08/97/31/721089731.db2.gz CAZFBSAKTFYWKA-KGLIPLIRSA-N 1 1 376.848 2.335 20 5 GEBDMO O=[N+]([O-])c1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc2[nH]ccc21 ZINC001164867695 721117345 /nfs/dbraw/zinc/11/73/45/721117345.db2.gz ZPIHOCATUASVIL-CVEARBPZSA-N 1 1 394.435 2.346 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc5[nH]cc([N+](=O)[O-])c5n4)C[C@H]3C2)cn1 ZINC001164768292 721157879 /nfs/dbraw/zinc/15/78/79/721157879.db2.gz OEKNWYLPMFGKSC-HUUCEWRRSA-N 1 1 381.440 2.163 20 5 GEBDMO CCOc1nc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164773408 721171110 /nfs/dbraw/zinc/17/11/10/721171110.db2.gz XDIPUFKNCWMKDH-HZPDHXFCSA-N 1 1 386.456 2.080 20 5 GEBDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001164932464 721856471 /nfs/dbraw/zinc/85/64/71/721856471.db2.gz XYFZVLHMZKODEH-HUUCEWRRSA-N 1 1 390.875 2.406 20 5 GEBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001164932464 721856474 /nfs/dbraw/zinc/85/64/74/721856474.db2.gz XYFZVLHMZKODEH-HUUCEWRRSA-N 1 1 390.875 2.406 20 5 GEBDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001164934772 721883546 /nfs/dbraw/zinc/88/35/46/721883546.db2.gz TXIIASJVWPSCNL-RTBURBONSA-N 1 1 382.468 2.266 20 5 GEBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001164934772 721883547 /nfs/dbraw/zinc/88/35/47/721883547.db2.gz TXIIASJVWPSCNL-RTBURBONSA-N 1 1 382.468 2.266 20 5 GEBDMO Nc1cc([N+](=O)[O-])cnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164961500 722059179 /nfs/dbraw/zinc/05/91/79/722059179.db2.gz KWCMLZCARZXALW-UHFFFAOYSA-N 1 1 398.467 2.086 20 5 GEBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982807 722101382 /nfs/dbraw/zinc/10/13/82/722101382.db2.gz PEHAQPRLMBULJF-IEBWSBKVSA-N 1 1 383.452 2.421 20 5 GEBDMO Cc1ccnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164977266 722106592 /nfs/dbraw/zinc/10/65/92/722106592.db2.gz FNFKRDVONFIISE-ROUUACIJSA-N 1 1 383.452 2.421 20 5 GEBDMO Cc1c(Br)cc(S(=O)(=O)NCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000155617450 531692299 /nfs/dbraw/zinc/69/22/99/531692299.db2.gz BDDVCZNASRQQTB-UHFFFAOYSA-N 1 1 394.291 2.284 20 5 GEBDMO COc1ccc(S(=O)(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000057702182 531822085 /nfs/dbraw/zinc/82/20/85/531822085.db2.gz MKYAEMCNVYYYJT-CYBMUJFWSA-N 1 1 385.467 2.246 20 5 GEBDMO Cc1c(Br)cc(S(=O)(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000123976962 532111651 /nfs/dbraw/zinc/11/16/51/532111651.db2.gz FGPUCHSBVQHYHM-RKDXNWHRSA-N 1 1 392.275 2.037 20 5 GEBDMO Cc1sc(S(=O)(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000125519272 532137277 /nfs/dbraw/zinc/13/72/77/532137277.db2.gz QPBFFIZFJJFZSD-TXEJJXNPSA-N 1 1 391.515 2.132 20 5 GEBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1Br ZINC000128429843 532164210 /nfs/dbraw/zinc/16/42/10/532164210.db2.gz SXDUUSIMBFFIDW-CHWSQXEVSA-N 1 1 398.257 2.340 20 5 GEBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1Br ZINC000128429843 532164212 /nfs/dbraw/zinc/16/42/12/532164212.db2.gz SXDUUSIMBFFIDW-CHWSQXEVSA-N 1 1 398.257 2.340 20 5 GEBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000188294928 532347600 /nfs/dbraw/zinc/34/76/00/532347600.db2.gz WHLFGWMFXANVLP-VXGBXAGGSA-N 1 1 387.889 2.254 20 5 GEBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000188294928 532347601 /nfs/dbraw/zinc/34/76/01/532347601.db2.gz WHLFGWMFXANVLP-VXGBXAGGSA-N 1 1 387.889 2.254 20 5 GEBDMO COc1ccc(Br)c(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000429304101 532473880 /nfs/dbraw/zinc/47/38/80/532473880.db2.gz DYKMTUCOKHEUCZ-ZDUSSCGKSA-N 1 1 399.245 2.055 20 5 GEBDMO COc1ccc(Br)c(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000429304101 532473889 /nfs/dbraw/zinc/47/38/89/532473889.db2.gz DYKMTUCOKHEUCZ-ZDUSSCGKSA-N 1 1 399.245 2.055 20 5 GEBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000296418090 532520085 /nfs/dbraw/zinc/52/00/85/532520085.db2.gz LCPBUPNWUQRSKV-CYBMUJFWSA-N 1 1 387.889 2.303 20 5 GEBDMO C[N@H+]1CCO[C@H]2CN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])C[C@@H]21 ZINC000471691648 532557001 /nfs/dbraw/zinc/55/70/01/532557001.db2.gz GWUKMCYICQKABF-GJZGRUSLSA-N 1 1 393.241 2.425 20 5 GEBDMO C[N@H+]1CCO[C@H]2CN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])C[C@H]21 ZINC000471691647 532557136 /nfs/dbraw/zinc/55/71/36/532557136.db2.gz GWUKMCYICQKABF-CABCVRRESA-N 1 1 393.241 2.425 20 5 GEBDMO Cc1c(Br)c(N[C@H](C)CCN2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000472683243 532580542 /nfs/dbraw/zinc/58/05/42/532580542.db2.gz LXKAAKWSVACATR-LLVKDONJSA-N 1 1 386.294 2.499 20 5 GEBDMO CN1CC(C[N@H+](C)Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000597206252 532614182 /nfs/dbraw/zinc/61/41/82/532614182.db2.gz NJVPZWNZNBPZPB-UHFFFAOYSA-N 1 1 375.210 2.193 20 5 GEBDMO CN1CC(C[N@@H+](C)Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000597206252 532614189 /nfs/dbraw/zinc/61/41/89/532614189.db2.gz NJVPZWNZNBPZPB-UHFFFAOYSA-N 1 1 375.210 2.193 20 5 GEBDMO Cc1c(Br)cc(S(=O)(=O)NC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000473905832 532602255 /nfs/dbraw/zinc/60/22/55/532602255.db2.gz ZEJAZMGZKONZEJ-SNVBAGLBSA-N 1 1 392.275 2.038 20 5 GEBDMO Cc1c(Br)cc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000473905832 532602258 /nfs/dbraw/zinc/60/22/58/532602258.db2.gz ZEJAZMGZKONZEJ-SNVBAGLBSA-N 1 1 392.275 2.038 20 5 GEBDMO COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000569511803 532696748 /nfs/dbraw/zinc/69/67/48/532696748.db2.gz LFKIFWOGSBFISI-CYBMUJFWSA-N 1 1 385.467 2.246 20 5 GEBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440860931 532723628 /nfs/dbraw/zinc/72/36/28/532723628.db2.gz LGHGXHVYGULOGU-NSHDSACASA-N 1 1 392.275 2.120 20 5 GEBDMO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)[C@@H]2C1 ZINC000286425905 532746082 /nfs/dbraw/zinc/74/60/82/532746082.db2.gz MPJAOOHNOIAVMW-JOYOIKCWSA-N 1 1 377.825 2.102 20 5 GEBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)[C@@H]2C1 ZINC000286425905 532746088 /nfs/dbraw/zinc/74/60/88/532746088.db2.gz MPJAOOHNOIAVMW-JOYOIKCWSA-N 1 1 377.825 2.102 20 5 GEBDMO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)[C@@H]2C1 ZINC000286425892 532746429 /nfs/dbraw/zinc/74/64/29/532746429.db2.gz MPJAOOHNOIAVMW-BXKDBHETSA-N 1 1 377.825 2.102 20 5 GEBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)[C@@H]2C1 ZINC000286425892 532746432 /nfs/dbraw/zinc/74/64/32/532746432.db2.gz MPJAOOHNOIAVMW-BXKDBHETSA-N 1 1 377.825 2.102 20 5 GEBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000071959180 211065518 /nfs/dbraw/zinc/06/55/18/211065518.db2.gz LCGRKDFKDSPUPO-MRXNPFEDSA-N 1 1 398.463 2.305 20 5 GEBDMO CC[N@@H+](C)C[C@H]1CCN(c2c(I)cncc2[N+](=O)[O-])C1 ZINC000418909246 532881385 /nfs/dbraw/zinc/88/13/85/532881385.db2.gz NSECGPGQNDWTGY-SNVBAGLBSA-N 1 1 390.225 2.372 20 5 GEBDMO CNC(=O)C[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])cc2Br)CC1 ZINC000276602870 532898353 /nfs/dbraw/zinc/89/83/53/532898353.db2.gz KRKKEOABQFNUGV-UHFFFAOYSA-N 1 1 385.262 2.288 20 5 GEBDMO C[N@H+]1CCC[C@]2(CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C2)C1 ZINC000292819745 532918892 /nfs/dbraw/zinc/91/88/92/532918892.db2.gz NXOVRXVPYGODIO-HNNXBMFYSA-N 1 1 391.852 2.494 20 5 GEBDMO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)c(-c2nn[nH]n2)c1 ZINC000738374951 598944542 /nfs/dbraw/zinc/94/45/42/598944542.db2.gz UVBNQJZKTSOFQA-CQSZACIVSA-N 1 1 380.412 2.246 20 5 GEBDMO CCOCCC[N@H+]1CC[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000736616304 599063255 /nfs/dbraw/zinc/06/32/55/599063255.db2.gz QVOOWXNZJVKMCI-ZFWWWQNUSA-N 1 1 389.460 2.324 20 5 GEBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000445554747 649962684 /nfs/dbraw/zinc/96/26/84/649962684.db2.gz WAQMYQGWMDTRKU-AOOOYVTPSA-N 1 1 380.253 2.417 20 5 GEBDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000820742888 606644557 /nfs/dbraw/zinc/64/45/57/606644557.db2.gz NGMJWDKIGZKBHO-TXEJJXNPSA-N 1 1 375.433 2.075 20 5 GEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820760960 606714705 /nfs/dbraw/zinc/71/47/05/606714705.db2.gz UOSNWXZWAOESFY-CJNGLKHVSA-N 1 1 394.439 2.492 20 5 GEBDMO C[C@H]1C[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000820667429 606719128 /nfs/dbraw/zinc/71/91/28/606719128.db2.gz MFQXYXWCUXYODM-JSGCOSHPSA-N 1 1 380.412 2.245 20 5 GEBDMO C[C@@H]1C[C@@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000820667434 606719255 /nfs/dbraw/zinc/71/92/55/606719255.db2.gz MFQXYXWCUXYODM-TZMCWYRMSA-N 1 1 380.412 2.245 20 5 GEBDMO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000822271079 606721683 /nfs/dbraw/zinc/72/16/83/606721683.db2.gz LLOGOYZLHNUQRQ-UHFFFAOYSA-N 1 1 379.424 2.406 20 5 GEBDMO CN(c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821619481 606789278 /nfs/dbraw/zinc/78/92/78/606789278.db2.gz YUVZBTSBYUUPDM-MRXNPFEDSA-N 1 1 379.424 2.486 20 5 GEBDMO CN(c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821619243 606789612 /nfs/dbraw/zinc/78/96/12/606789612.db2.gz OWPKMESJPJANDB-MRXNPFEDSA-N 1 1 379.424 2.486 20 5 GEBDMO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[N@H+]1Cc1ccccc1 ZINC000820668966 606875699 /nfs/dbraw/zinc/87/56/99/606875699.db2.gz XUESLICNYSKIKI-OCCSQVGLSA-N 1 1 380.412 2.245 20 5 GEBDMO CC(C)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824255188 608061604 /nfs/dbraw/zinc/06/16/04/608061604.db2.gz BXGAYPXAIBGWBT-UHFFFAOYSA-N 1 1 397.439 2.095 20 5 GEBDMO CCC[N@@H+](CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447040231 649995558 /nfs/dbraw/zinc/99/55/58/649995558.db2.gz RMSXPZDNGDBONO-UHFFFAOYSA-N 1 1 394.291 2.368 20 5 GEBDMO O=C(NCC[N@H+]1CCCOCC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501086634 650387962 /nfs/dbraw/zinc/38/79/62/650387962.db2.gz WTMFOHOTXXZGDC-UHFFFAOYSA-N 1 1 387.234 2.201 20 5 GEBDMO CCCC[N@@H+](C)C[C@H](C)NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000516678088 650600483 /nfs/dbraw/zinc/60/04/83/650600483.db2.gz CUVOAPWVQGYGSL-NSHDSACASA-N 1 1 377.438 2.141 20 5 GEBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000525184504 650651106 /nfs/dbraw/zinc/65/11/06/650651106.db2.gz LAGJZCOTHVYIAU-GFCCVEGCSA-N 1 1 382.467 2.167 20 5 GEBDMO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000532574415 650750290 /nfs/dbraw/zinc/75/02/90/650750290.db2.gz CBQYJTGTVLRYPC-CYBMUJFWSA-N 1 1 397.273 2.464 20 5 GEBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2c(F)cccc2Cl)c1 ZINC000065978384 642893881 /nfs/dbraw/zinc/89/38/81/642893881.db2.gz KURBTCFXDZJMAM-UHFFFAOYSA-N 1 1 387.820 2.455 20 5 GEBDMO CCCc1csc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000494109895 650801610 /nfs/dbraw/zinc/80/16/10/650801610.db2.gz XFAHADZVDFGXMA-UHFFFAOYSA-N 1 1 384.483 2.072 20 5 GEBDMO C[N@H+](CCn1cccn1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000111279618 643331442 /nfs/dbraw/zinc/33/14/42/643331442.db2.gz OCVIWBUKYDWXCV-UHFFFAOYSA-N 1 1 382.218 2.124 20 5 GEBDMO C[N@@H+](CCn1cccn1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000111279618 643331445 /nfs/dbraw/zinc/33/14/45/643331445.db2.gz OCVIWBUKYDWXCV-UHFFFAOYSA-N 1 1 382.218 2.124 20 5 GEBDMO Cc1cc(Br)cc2c1C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000539377964 650843948 /nfs/dbraw/zinc/84/39/48/650843948.db2.gz XVGDZXCQLUJIIY-OAHLLOKOSA-N 1 1 395.257 2.281 20 5 GEBDMO Cc1cc(Br)cc2c1C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000539377964 650843951 /nfs/dbraw/zinc/84/39/51/650843951.db2.gz XVGDZXCQLUJIIY-OAHLLOKOSA-N 1 1 395.257 2.281 20 5 GEBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120323987 643600156 /nfs/dbraw/zinc/60/01/56/643600156.db2.gz HYLKMZDPBAFTIT-DOMZBBRYSA-N 1 1 381.479 2.455 20 5 GEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120323987 643600159 /nfs/dbraw/zinc/60/01/59/643600159.db2.gz HYLKMZDPBAFTIT-DOMZBBRYSA-N 1 1 381.479 2.455 20 5 GEBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000268580649 645980506 /nfs/dbraw/zinc/98/05/06/645980506.db2.gz SWMUOYDHRXKMSB-UHFFFAOYSA-N 1 1 392.275 2.074 20 5 GEBDMO CC[N@H+]1CCCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000268580649 645980513 /nfs/dbraw/zinc/98/05/13/645980513.db2.gz SWMUOYDHRXKMSB-UHFFFAOYSA-N 1 1 392.275 2.074 20 5 GEBDMO CC[NH+]1CCN(C[C@H](C)CNc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000277153428 646383654 /nfs/dbraw/zinc/38/36/54/646383654.db2.gz RQUSCUGASIGPSS-GFCCVEGCSA-N 1 1 386.294 2.438 20 5 GEBDMO COCCC[N@@H+](CCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289310674 646931423 /nfs/dbraw/zinc/93/14/23/646931423.db2.gz CQZWWPWDLLFVDP-UHFFFAOYSA-N 1 1 394.209 2.030 20 5 GEBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301907472 647276707 /nfs/dbraw/zinc/27/67/07/647276707.db2.gz AOGHBTBOPWKOPH-HNNXBMFYSA-N 1 1 397.273 2.276 20 5 GEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000331369112 647382512 /nfs/dbraw/zinc/38/25/12/647382512.db2.gz CKCUFLNVRAZQBQ-BMIGLBTASA-N 1 1 382.258 2.499 20 5 GEBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1cc([N+](=O)[O-])ncc1Br ZINC000367654191 647742758 /nfs/dbraw/zinc/74/27/58/647742758.db2.gz TXRHMLSHLHDNBB-UHFFFAOYSA-N 1 1 380.202 2.215 20 5 GEBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(Cn2cc(Br)cn2)CC1 ZINC000374650502 647824370 /nfs/dbraw/zinc/82/43/70/647824370.db2.gz XHLHUWJEGYCQIU-UHFFFAOYSA-N 1 1 383.250 2.200 20 5 GEBDMO C[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@H](C)[N@@H+]1C ZINC000549963314 651104285 /nfs/dbraw/zinc/10/42/85/651104285.db2.gz GIAXJLWABJDHIR-PHIMTYICSA-N 1 1 385.262 2.320 20 5 GEBDMO C[C@@H](Cc1ccsc1)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000571752760 651851373 /nfs/dbraw/zinc/85/13/73/651851373.db2.gz QZOASIQXXKVJJW-ZDUSSCGKSA-N 1 1 383.495 2.498 20 5 GEBDMO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000757795512 652523194 /nfs/dbraw/zinc/52/31/94/652523194.db2.gz QUFXEJRIWZBAJP-TVQRCGJNSA-N 1 1 375.397 2.486 20 5 GEBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000757795512 652523198 /nfs/dbraw/zinc/52/31/98/652523198.db2.gz QUFXEJRIWZBAJP-TVQRCGJNSA-N 1 1 375.397 2.486 20 5 GEBDMO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000757795516 652523261 /nfs/dbraw/zinc/52/32/61/652523261.db2.gz QUFXEJRIWZBAJP-ZANVPECISA-N 1 1 375.397 2.486 20 5 GEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000757795516 652523264 /nfs/dbraw/zinc/52/32/64/652523264.db2.gz QUFXEJRIWZBAJP-ZANVPECISA-N 1 1 375.397 2.486 20 5 GEBDMO O=[N+]([O-])c1cncc(Br)c1N1CCC([N@H+]2CCCOCC2)CC1 ZINC000596267886 652756796 /nfs/dbraw/zinc/75/67/96/652756796.db2.gz BKDYIECEBXAGND-UHFFFAOYSA-N 1 1 385.262 2.443 20 5 GEBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000765551182 652843488 /nfs/dbraw/zinc/84/34/88/652843488.db2.gz CRJBBMVYMXFPJQ-AWEZNQCLSA-N 1 1 397.273 2.100 20 5 GEBDMO C[C@]1(C[NH+]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCCS1 ZINC000600106955 652904249 /nfs/dbraw/zinc/90/42/49/652904249.db2.gz OIIWUBOKLZNOOZ-MRXNPFEDSA-N 1 1 385.511 2.187 20 5 GEBDMO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000600112462 652904680 /nfs/dbraw/zinc/90/46/80/652904680.db2.gz MQVJUMJCMXQHMZ-GFCCVEGCSA-N 1 1 398.257 2.029 20 5 GEBDMO C[N@H+](Cc1ccc(Br)cc1F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000602927140 653215843 /nfs/dbraw/zinc/21/58/43/653215843.db2.gz WKISRBKMKBTVBX-ZDUSSCGKSA-N 1 1 387.209 2.186 20 5 GEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809822056 653301926 /nfs/dbraw/zinc/30/19/26/653301926.db2.gz WBSKZJZJDAHGBM-JOYOIKCWSA-N 1 1 379.841 2.348 20 5 GEBDMO CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000810091505 653323679 /nfs/dbraw/zinc/32/36/79/653323679.db2.gz YOMRYCGFSAWYRR-SNVBAGLBSA-N 1 1 394.291 2.364 20 5 GEBDMO C[C@H]1CCC[N@H+]1CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000780867993 653634136 /nfs/dbraw/zinc/63/41/36/653634136.db2.gz UGXVBIZHCXTIKB-JTQLQIEISA-N 1 1 392.275 2.120 20 5 GEBDMO C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000815024902 653645078 /nfs/dbraw/zinc/64/50/78/653645078.db2.gz ORLNEDGQVZNCDD-ZWNOBZJWSA-N 1 1 391.852 2.492 20 5 GEBDMO COC(=O)[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000840498235 653687031 /nfs/dbraw/zinc/68/70/31/653687031.db2.gz IBSQYUOFJJKNSO-SECBINFHSA-N 1 1 390.223 2.078 20 5 GEBDMO COC(=O)[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000840498235 653687034 /nfs/dbraw/zinc/68/70/34/653687034.db2.gz IBSQYUOFJJKNSO-SECBINFHSA-N 1 1 390.223 2.078 20 5 GEBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ncc3Br)C2)C1 ZINC000818170398 653726906 /nfs/dbraw/zinc/72/69/06/653726906.db2.gz ODKMHYZLQQXXJL-OAHLLOKOSA-N 1 1 383.246 2.310 20 5 GEBDMO CCN1CC[NH+](CCC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000881863840 653744374 /nfs/dbraw/zinc/74/43/74/653744374.db2.gz HGJCNNBIDVISNW-UHFFFAOYSA-N 1 1 399.289 2.001 20 5 GEBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842826305 653769799 /nfs/dbraw/zinc/76/97/99/653769799.db2.gz LJMJJZAXKPEWQZ-NSHDSACASA-N 1 1 392.275 2.120 20 5 GEBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000843485760 653788087 /nfs/dbraw/zinc/78/80/87/653788087.db2.gz DUSVMQGTWLWCJH-ZDUSSCGKSA-N 1 1 378.173 2.270 20 5 GEBDMO COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000790478999 653792802 /nfs/dbraw/zinc/79/28/02/653792802.db2.gz FOECMZACZTVUOA-AWEZNQCLSA-N 1 1 385.467 2.246 20 5 GEBDMO CN1C(=O)NCC12CC[NH+](Cc1c(Br)cccc1[N+](=O)[O-])CC2 ZINC000822529970 653830694 /nfs/dbraw/zinc/83/06/94/653830694.db2.gz MCHVECXYVHKIRL-UHFFFAOYSA-N 1 1 383.246 2.347 20 5 GEBDMO C[N@H+]1C[C@H]2CCN(C(=O)NCc3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000896447158 653880470 /nfs/dbraw/zinc/88/04/70/653880470.db2.gz QNWHCQYEMGYGJG-BXUZGUMPSA-N 1 1 383.246 2.203 20 5 GEBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795808584 653967943 /nfs/dbraw/zinc/96/79/43/653967943.db2.gz CCFPUQDSFOHYET-SNVBAGLBSA-N 1 1 379.841 2.398 20 5 GEBDMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889763900 654169992 /nfs/dbraw/zinc/16/99/92/654169992.db2.gz OVXYKOZLIIUGQH-CABCVRRESA-N 1 1 398.257 2.029 20 5 GEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000802979424 654253554 /nfs/dbraw/zinc/25/35/54/654253554.db2.gz YNCKWLBUPWCJOS-RYUDHWBXSA-N 1 1 399.289 2.345 20 5 GEBDMO CC(C)[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000832764942 654294075 /nfs/dbraw/zinc/29/40/75/654294075.db2.gz RRJOHWVQXXLHKZ-SNVBAGLBSA-N 1 1 379.841 2.491 20 5 GEBDMO CC(C)[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000832764248 654294125 /nfs/dbraw/zinc/29/41/25/654294125.db2.gz KJNWOHIBLXZKFS-JTQLQIEISA-N 1 1 379.841 2.491 20 5 GEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ncc(Br)s1 ZINC000872240200 654318934 /nfs/dbraw/zinc/31/89/34/654318934.db2.gz PENMAUKMHTWNLL-VIFPVBQESA-N 1 1 388.243 2.343 20 5 GEBDMO CN(C)C(=O)C[NH+]1CCC(Nc2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856729746 654487452 /nfs/dbraw/zinc/48/74/52/654487452.db2.gz SIQQFWQXXWETHC-UHFFFAOYSA-N 1 1 385.262 2.322 20 5 GEBDMO COC1(OC)CCOC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000931676369 654753068 /nfs/dbraw/zinc/75/30/68/654753068.db2.gz VKKCRTPPBFBWPS-ZDUSSCGKSA-N 1 1 375.219 2.225 20 5 GEBDMO CC(C)[N@H+]1CCCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC1 ZINC000931793922 654757283 /nfs/dbraw/zinc/75/72/83/654757283.db2.gz JEGFPRVSDSQVHP-UHFFFAOYSA-N 1 1 385.262 2.496 20 5 GEBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)c(C)cc1[N+](=O)[O-])CC2 ZINC001164686123 719711863 /nfs/dbraw/zinc/71/18/63/719711863.db2.gz XGOUELYRTCFUEQ-UHFFFAOYSA-N 1 1 381.864 2.132 20 5 GEBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C)cc(OC)c1[N+](=O)[O-])C2 ZINC001164809955 720107832 /nfs/dbraw/zinc/10/78/32/720107832.db2.gz IWLPDYMPBIOVFL-UZLBHIALSA-N 1 1 390.484 2.492 20 5 GEBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721056 720341339 /nfs/dbraw/zinc/34/13/39/720341339.db2.gz ABIZDSNLIDSHOB-DLBZAZTESA-N 1 1 383.408 2.025 20 5 GEBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164731032 720405712 /nfs/dbraw/zinc/40/57/12/720405712.db2.gz YEVBGWBQLPNBGF-GJZGRUSLSA-N 1 1 375.816 2.130 20 5 GEBDMO Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncc1[N+](=O)[O-] ZINC001164841544 720633407 /nfs/dbraw/zinc/63/34/07/720633407.db2.gz SSBRTWMWXCDLQU-GVDBMIGSSA-N 1 1 385.472 2.268 20 5 GEBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744809 720811742 /nfs/dbraw/zinc/81/17/42/720811742.db2.gz IPSXVOBSPNVEPR-YTQUADARSA-N 1 1 397.483 2.269 20 5 GEBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164764273 721089929 /nfs/dbraw/zinc/08/99/29/721089929.db2.gz HCWQTRJGSAVCQD-UONOGXRCSA-N 1 1 391.863 2.038 20 5 GEBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164764264 721090078 /nfs/dbraw/zinc/09/00/78/721090078.db2.gz HCWQTRJGSAVCQD-KBPBESRZSA-N 1 1 391.863 2.038 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(Cl)cc([N+](=O)[O-])n4)C[C@@H]3C2)cn1 ZINC001164761711 721110193 /nfs/dbraw/zinc/11/01/93/721110193.db2.gz APLHYQJOQFLDSU-KGLIPLIRSA-N 1 1 376.848 2.335 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc5[nH]cc([N+](=O)[O-])c5n4)C[C@@H]3C2)cn1 ZINC001164768286 721157701 /nfs/dbraw/zinc/15/77/01/721157701.db2.gz OEKNWYLPMFGKSC-CABCVRRESA-N 1 1 381.440 2.163 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc5cccc([N+](=O)[O-])c54)C[C@H]3C2)cn1 ZINC001164763868 721233669 /nfs/dbraw/zinc/23/36/69/721233669.db2.gz NJLKGRYFRGSNJR-HZPDHXFCSA-N 1 1 393.451 2.230 20 5 GEBDMO Cc1nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ccc1[N+](=O)[O-] ZINC001164893634 721383385 /nfs/dbraw/zinc/38/33/85/721383385.db2.gz WJJRSKLYXWRBPP-FXAWDEMLSA-N 1 1 389.500 2.064 20 5 GEBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164788447 721397593 /nfs/dbraw/zinc/39/75/93/721397593.db2.gz SABIJMOBFIJSHF-GHMZBOCLSA-N 1 1 380.861 2.371 20 5 GEBDMO COc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164976650 722111109 /nfs/dbraw/zinc/11/11/09/722111109.db2.gz LZWLUIBWPATPRZ-QFBILLFUSA-N 1 1 399.451 2.121 20 5 GEBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000155051729 531654584 /nfs/dbraw/zinc/65/45/84/531654584.db2.gz YSYNICARIATLDP-LOWVWBTDSA-N 1 1 389.246 2.206 20 5 GEBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000155051729 531654589 /nfs/dbraw/zinc/65/45/89/531654589.db2.gz YSYNICARIATLDP-LOWVWBTDSA-N 1 1 389.246 2.206 20 5 GEBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@H]1CCC[C@@H]1O ZINC000159531702 531786762 /nfs/dbraw/zinc/78/67/62/531786762.db2.gz KZIQZNRVMFJVKJ-YGRLFVJLSA-N 1 1 386.246 2.389 20 5 GEBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@H]1CCC[C@@H]1O ZINC000159531702 531786770 /nfs/dbraw/zinc/78/67/70/531786770.db2.gz KZIQZNRVMFJVKJ-YGRLFVJLSA-N 1 1 386.246 2.389 20 5 GEBDMO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000131306392 532195380 /nfs/dbraw/zinc/19/53/80/532195380.db2.gz UHGCCPIYTSQFKN-JTQLQIEISA-N 1 1 392.275 2.072 20 5 GEBDMO CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000131306392 532195385 /nfs/dbraw/zinc/19/53/85/532195385.db2.gz UHGCCPIYTSQFKN-JTQLQIEISA-N 1 1 392.275 2.072 20 5 GEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000590557525 532375458 /nfs/dbraw/zinc/37/54/58/532375458.db2.gz CSQOIMIDWXWFSV-UHFFFAOYSA-N 1 1 398.257 2.070 20 5 GEBDMO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000589926433 532363991 /nfs/dbraw/zinc/36/39/91/532363991.db2.gz UTKUSIBKVPRDJQ-QPUJVOFHSA-N 1 1 380.253 2.226 20 5 GEBDMO C[N@H+]1C[C@@H]2CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000589926433 532363992 /nfs/dbraw/zinc/36/39/92/532363992.db2.gz UTKUSIBKVPRDJQ-QPUJVOFHSA-N 1 1 380.253 2.226 20 5 GEBDMO CN1CCC([N@@H+]2CC[C@H](Nc3ncc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000373112209 532431174 /nfs/dbraw/zinc/43/11/74/532431174.db2.gz ZIUUENQVWIFUEV-LBPRGKRZSA-N 1 1 384.278 2.333 20 5 GEBDMO CN1CCC([N@H+]2CC[C@H](Nc3ncc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000373112209 532431178 /nfs/dbraw/zinc/43/11/78/532431178.db2.gz ZIUUENQVWIFUEV-LBPRGKRZSA-N 1 1 384.278 2.333 20 5 GEBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596167621 532589516 /nfs/dbraw/zinc/58/95/16/532589516.db2.gz FEWWAATXLKQTKD-CQSZACIVSA-N 1 1 397.273 2.100 20 5 GEBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000301153788 532742266 /nfs/dbraw/zinc/74/22/66/532742266.db2.gz FEWIJASRULPJFQ-NSHDSACASA-N 1 1 385.262 2.357 20 5 GEBDMO CC(C)[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000268496374 532767451 /nfs/dbraw/zinc/76/74/51/532767451.db2.gz QMMOGUXMLFRVLA-CQSZACIVSA-N 1 1 386.294 2.436 20 5 GEBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NCC[NH+]1CCCCC1 ZINC000416372759 532872765 /nfs/dbraw/zinc/87/27/65/532872765.db2.gz NOLYSOMRQIRBTB-UHFFFAOYSA-N 1 1 381.376 2.378 20 5 GEBDMO C[N@H+]1CC[C@]2(CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)C2)C1 ZINC000291999209 532911742 /nfs/dbraw/zinc/91/17/42/532911742.db2.gz LFALQLXVLUZYOY-AWEZNQCLSA-N 1 1 377.825 2.104 20 5 GEBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736266166 598869536 /nfs/dbraw/zinc/86/95/36/598869536.db2.gz GLJZEQXIXNPOTN-KBPBESRZSA-N 1 1 386.460 2.261 20 5 GEBDMO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000736822777 598580408 /nfs/dbraw/zinc/58/04/08/598580408.db2.gz UCVGBCQIGJQIJQ-KRWDZBQOSA-N 1 1 393.407 2.012 20 5 GEBDMO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000736822777 598580409 /nfs/dbraw/zinc/58/04/09/598580409.db2.gz UCVGBCQIGJQIJQ-KRWDZBQOSA-N 1 1 393.407 2.012 20 5 GEBDMO Cc1cc(N2CCC[C@H](Nc3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)nc(C)[nH+]1 ZINC000737272990 598672486 /nfs/dbraw/zinc/67/24/86/598672486.db2.gz XPFPMNOWHISPII-ZDUSSCGKSA-N 1 1 395.427 2.263 20 5 GEBDMO COc1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1-c1nn[nH]n1 ZINC000826195543 607484484 /nfs/dbraw/zinc/48/44/84/607484484.db2.gz XPCQQNDEUCWRBK-UHFFFAOYSA-N 1 1 395.423 2.106 20 5 GEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000826499471 607553497 /nfs/dbraw/zinc/55/34/97/607553497.db2.gz JYAIHMHWZRPPEY-GOSISDBHSA-N 1 1 380.408 2.473 20 5 GEBDMO Cc1ccccc1C[N@H+]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000822356822 606697938 /nfs/dbraw/zinc/69/79/38/606697938.db2.gz ZWEPQHQIXKJCCZ-UHFFFAOYSA-N 1 1 394.439 2.191 20 5 GEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820760959 606714944 /nfs/dbraw/zinc/71/49/44/606714944.db2.gz UOSNWXZWAOESFY-BBRMVZONSA-N 1 1 394.439 2.492 20 5 GEBDMO CN(c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821619236 606715445 /nfs/dbraw/zinc/71/54/45/606715445.db2.gz OUKPOACSSVCLFP-HNNXBMFYSA-N 1 1 394.439 2.271 20 5 GEBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(F)c3)CC2)c(-c2nn[nH]n2)c1 ZINC000823639948 607038001 /nfs/dbraw/zinc/03/80/01/607038001.db2.gz NFAZAVCSRWNMBR-UHFFFAOYSA-N 1 1 383.387 2.236 20 5 GEBDMO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000824553844 608391425 /nfs/dbraw/zinc/39/14/25/608391425.db2.gz IUYMPYOZBFQMEQ-ZWNOBZJWSA-N 1 1 399.436 2.293 20 5 GEBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000447024678 649994566 /nfs/dbraw/zinc/99/45/66/649994566.db2.gz AIXYNNOXQYFWCR-UWVGGRQHSA-N 1 1 392.275 2.118 20 5 GEBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[N@H+]1C ZINC000447028579 649994652 /nfs/dbraw/zinc/99/46/52/649994652.db2.gz OLTQDFHWIJXZGN-NXEZZACHSA-N 1 1 381.376 2.375 20 5 GEBDMO CN(C[C@H]1CC[N@@H+](C)C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462291423 650473482 /nfs/dbraw/zinc/47/34/82/650473482.db2.gz QYOYVWYWGLHWQO-VIFPVBQESA-N 1 1 382.269 2.474 20 5 GEBDMO O=[N+]([O-])c1ccn(CC[N@H+](CCO)Cc2ccc(Br)s2)n1 ZINC000485132912 650693569 /nfs/dbraw/zinc/69/35/69/650693569.db2.gz QHCFFYWNJGVMQQ-UHFFFAOYSA-N 1 1 375.248 2.110 20 5 GEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3cc[nH+]cc3Cl)CC2)cc1 ZINC000531410694 650738292 /nfs/dbraw/zinc/73/82/92/650738292.db2.gz HWQCTOYTDGJJSG-UHFFFAOYSA-N 1 1 382.829 2.154 20 5 GEBDMO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000093530849 643077709 /nfs/dbraw/zinc/07/77/09/643077709.db2.gz LOKZDOLSYIHQSP-ZDUSSCGKSA-N 1 1 381.479 2.447 20 5 GEBDMO CCN1CC[NH+](C[C@@H](C)CNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000268454888 645969966 /nfs/dbraw/zinc/96/99/66/645969966.db2.gz BTFWPNLHZYULGM-LBPRGKRZSA-N 1 1 386.294 2.438 20 5 GEBDMO Cn1cc([C@@H]2C[N@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C[C@H]2CO)cn1 ZINC000278684367 646539160 /nfs/dbraw/zinc/53/91/60/646539160.db2.gz MHSFHVYBNSGCFW-KBPBESRZSA-N 1 1 395.257 2.299 20 5 GEBDMO Cn1cc([C@@H]2C[N@@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C[C@H]2CO)cn1 ZINC000278684367 646539166 /nfs/dbraw/zinc/53/91/66/646539166.db2.gz MHSFHVYBNSGCFW-KBPBESRZSA-N 1 1 395.257 2.299 20 5 GEBDMO Cc1c(Br)cc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000285989840 646863958 /nfs/dbraw/zinc/86/39/58/646863958.db2.gz YHTFPYTZQFRPRU-CABCVRRESA-N 1 1 398.257 2.211 20 5 GEBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301907478 647276724 /nfs/dbraw/zinc/27/67/24/647276724.db2.gz AOGHBTBOPWKOPH-OAHLLOKOSA-N 1 1 397.273 2.276 20 5 GEBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1C[C@@H]2[C@H]3CCCC[N@@H+]3C[C@H]2C1 ZINC000365542358 647675410 /nfs/dbraw/zinc/67/54/10/647675410.db2.gz ZBPPEZMYXJXDTP-SGMGOOAPSA-N 1 1 385.873 2.353 20 5 GEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000368590830 647759967 /nfs/dbraw/zinc/75/99/67/647759967.db2.gz LBYFTJAUXCUWTE-ABAIWWIYSA-N 1 1 382.258 2.452 20 5 GEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)[C@H]2C1 ZINC000378492944 647883191 /nfs/dbraw/zinc/88/31/91/647883191.db2.gz HZRKBTUANMKQTB-NHYWBVRUSA-N 1 1 382.258 2.452 20 5 GEBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCC(F)(F)C1 ZINC000420973116 648460710 /nfs/dbraw/zinc/46/07/10/648460710.db2.gz MBJNINSBVNCGRV-LBPRGKRZSA-N 1 1 377.413 2.240 20 5 GEBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000440831534 648814940 /nfs/dbraw/zinc/81/49/40/648814940.db2.gz IITWUVFZQVIBQO-NSHDSACASA-N 1 1 381.376 2.376 20 5 GEBDMO CCN1CC[NH+](CCC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000557158660 651265363 /nfs/dbraw/zinc/26/53/63/651265363.db2.gz DNWLNJOBQNRPIA-UHFFFAOYSA-N 1 1 385.262 2.323 20 5 GEBDMO C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)CC[N@H+]1C ZINC000719385458 651476103 /nfs/dbraw/zinc/47/61/03/651476103.db2.gz HCUURWVLRLGADB-UFBFGSQYSA-N 1 1 389.193 2.022 20 5 GEBDMO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000732043613 651642918 /nfs/dbraw/zinc/64/29/18/651642918.db2.gz DTIMXYWSEXKWMR-LLVKDONJSA-N 1 1 375.397 2.487 20 5 GEBDMO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000732043613 651642923 /nfs/dbraw/zinc/64/29/23/651642923.db2.gz DTIMXYWSEXKWMR-LLVKDONJSA-N 1 1 375.397 2.487 20 5 GEBDMO C[NH+]1CCN(C(=O)CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000744170788 652038085 /nfs/dbraw/zinc/03/80/85/652038085.db2.gz LJTRUJIZEQGSHY-UHFFFAOYSA-N 1 1 380.754 2.453 20 5 GEBDMO COc1ncc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000578350375 652265521 /nfs/dbraw/zinc/26/55/21/652265521.db2.gz NKLFJHGCYICDMS-UHFFFAOYSA-N 1 1 385.829 2.215 20 5 GEBDMO CC[C@@H]1C[N@@H+](C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000578981834 652308713 /nfs/dbraw/zinc/30/87/13/652308713.db2.gz ZCDBYWGLHLVNJV-LLVKDONJSA-N 1 1 385.262 2.322 20 5 GEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000585700713 652534173 /nfs/dbraw/zinc/53/41/73/652534173.db2.gz OBHOKULQJHENPA-IINYFYTJSA-N 1 1 386.246 2.115 20 5 GEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000585700713 652534174 /nfs/dbraw/zinc/53/41/74/652534174.db2.gz OBHOKULQJHENPA-IINYFYTJSA-N 1 1 386.246 2.115 20 5 GEBDMO [NH3+][C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1Br ZINC000595955339 652743703 /nfs/dbraw/zinc/74/37/03/652743703.db2.gz XIMAKHPKOWBZKG-OAHLLOKOSA-N 1 1 391.225 2.337 20 5 GEBDMO O=[N+]([O-])c1sc(CNC[C@@H]2CCC[N@@H+]2CCCO)cc1Br ZINC000602673202 653199734 /nfs/dbraw/zinc/19/97/34/653199734.db2.gz JGZVUALVDQSNOS-JTQLQIEISA-N 1 1 378.292 2.355 20 5 GEBDMO CC[N@@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(C)C ZINC000780855075 653633596 /nfs/dbraw/zinc/63/35/96/653633596.db2.gz DUGQEVBBFNNBBW-UHFFFAOYSA-N 1 1 394.291 2.366 20 5 GEBDMO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815012229 653643156 /nfs/dbraw/zinc/64/31/56/653643156.db2.gz IHQPKUXCWHQABH-JTQLQIEISA-N 1 1 377.825 2.245 20 5 GEBDMO CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815012229 653643158 /nfs/dbraw/zinc/64/31/58/653643158.db2.gz IHQPKUXCWHQABH-JTQLQIEISA-N 1 1 377.825 2.245 20 5 GEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815028135 653645647 /nfs/dbraw/zinc/64/56/47/653645647.db2.gz RMJSBHYEBKHOCE-ZWNOBZJWSA-N 1 1 391.852 2.492 20 5 GEBDMO C[N@H+]1CCC[C@H](CCNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000841546001 653731055 /nfs/dbraw/zinc/73/10/55/653731055.db2.gz BUFCCVUGLARCNV-SNVBAGLBSA-N 1 1 379.841 2.398 20 5 GEBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[NH2+]C[C@@H]1C(F)F ZINC000843481163 653787939 /nfs/dbraw/zinc/78/79/39/653787939.db2.gz PSCGYXHEYUXLBK-SECBINFHSA-N 1 1 382.136 2.176 20 5 GEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896539986 653883638 /nfs/dbraw/zinc/88/36/38/653883638.db2.gz CMNOWQHCPSJZBV-ABAIWWIYSA-N 1 1 399.289 2.030 20 5 GEBDMO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000884956287 653897897 /nfs/dbraw/zinc/89/78/97/653897897.db2.gz ZQKSOAUMWPWYCL-ZJUUUORDSA-N 1 1 377.825 2.292 20 5 GEBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000897830513 653939574 /nfs/dbraw/zinc/93/95/74/653939574.db2.gz ZBXKKMNYZJSUCB-UHFFFAOYSA-N 1 1 382.269 2.417 20 5 GEBDMO O=C(NCC[NH+]1CCC(O)CC1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897920029 653944105 /nfs/dbraw/zinc/94/41/05/653944105.db2.gz TZFZCWJBNGEOIA-UHFFFAOYSA-N 1 1 380.203 2.227 20 5 GEBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000828958485 654056254 /nfs/dbraw/zinc/05/62/54/654056254.db2.gz FWICJINKIWLMNI-RYUDHWBXSA-N 1 1 383.246 2.248 20 5 GEBDMO Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000799763208 654110342 /nfs/dbraw/zinc/11/03/42/654110342.db2.gz BNMMCUNMSJEXDM-JTQLQIEISA-N 1 1 392.275 2.038 20 5 GEBDMO Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000799763208 654110348 /nfs/dbraw/zinc/11/03/48/654110348.db2.gz BNMMCUNMSJEXDM-JTQLQIEISA-N 1 1 392.275 2.038 20 5 GEBDMO O=[N+]([O-])c1cn(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000871983264 654300742 /nfs/dbraw/zinc/30/07/42/654300742.db2.gz ZAWDORKZADXMNS-OAHLLOKOSA-N 1 1 381.230 2.191 20 5 GEBDMO O=[N+]([O-])c1cn(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000871983264 654300745 /nfs/dbraw/zinc/30/07/45/654300745.db2.gz ZAWDORKZADXMNS-OAHLLOKOSA-N 1 1 381.230 2.191 20 5 GEBDMO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000872665520 654387820 /nfs/dbraw/zinc/38/78/20/654387820.db2.gz ZXHGHWUCFCOLIC-VXGBXAGGSA-N 1 1 377.825 2.245 20 5 GEBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000872665520 654387824 /nfs/dbraw/zinc/38/78/24/654387824.db2.gz ZXHGHWUCFCOLIC-VXGBXAGGSA-N 1 1 377.825 2.245 20 5 GEBDMO C[C@H]1C[C@H](N(C)C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000933447139 654813879 /nfs/dbraw/zinc/81/38/79/654813879.db2.gz UWZIBQOPPCUEKY-GXSJLCMTSA-N 1 1 385.262 2.494 20 5 GEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC000934953576 654868041 /nfs/dbraw/zinc/86/80/41/654868041.db2.gz ZDJBQEUPYXFDJL-MFKMUULPSA-N 1 1 397.273 2.496 20 5 GEBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)cc(C)c1[N+](=O)[O-])CC2 ZINC001164685168 719710602 /nfs/dbraw/zinc/71/06/02/719710602.db2.gz RORUOHMKCGLAJK-UHFFFAOYSA-N 1 1 381.864 2.132 20 5 GEBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)ncc1[N+](=O)[O-])C2 ZINC001164807537 720072186 /nfs/dbraw/zinc/07/21/86/720072186.db2.gz FVCRKPXVMVUKFQ-SUMWQHHRSA-N 1 1 381.864 2.223 20 5 GEBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)CC[C@@H]21 ZINC001164834984 720557110 /nfs/dbraw/zinc/55/71/10/720557110.db2.gz GJODMJWCYABUGG-VYDXJSESSA-N 1 1 385.472 2.146 20 5 GEBDMO Cc1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1[N+](=O)[O-] ZINC001164746825 720817941 /nfs/dbraw/zinc/81/79/41/720817941.db2.gz ZHXCUUSSQHHVSJ-RCCFBDPRSA-N 1 1 397.483 2.269 20 5 GEBDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(C)cc(Cl)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164853705 720848431 /nfs/dbraw/zinc/84/84/31/720848431.db2.gz OQQXVQCAJFABOY-DZGCQCFKSA-N 1 1 384.864 2.125 20 5 GEBDMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)CC[C@H]2C1 ZINC001164855496 720852638 /nfs/dbraw/zinc/85/26/38/720852638.db2.gz NBHITQSWOGZITL-HNAYVOBHSA-N 1 1 386.452 2.317 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nccc(Cl)c4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164765841 721077568 /nfs/dbraw/zinc/07/75/68/721077568.db2.gz JXVNMJLKURPJJB-KBPBESRZSA-N 1 1 376.848 2.335 20 5 GEBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867623 721099005 /nfs/dbraw/zinc/09/90/05/721099005.db2.gz YURFMKSALSZBDJ-QZTJIDSGSA-N 1 1 383.452 2.481 20 5 GEBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867622 721099429 /nfs/dbraw/zinc/09/94/29/721099429.db2.gz YURFMKSALSZBDJ-MSOLQXFVSA-N 1 1 383.452 2.481 20 5 GEBDMO CCOc1nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164773407 721172333 /nfs/dbraw/zinc/17/23/33/721172333.db2.gz XDIPUFKNCWMKDH-HOTGVXAUSA-N 1 1 386.456 2.080 20 5 GEBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164894115 721383351 /nfs/dbraw/zinc/38/33/51/721383351.db2.gz XTCAJQJVQUHZDS-ICSRJNTNSA-N 1 1 389.500 2.064 20 5 GEBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC001164810062 721538002 /nfs/dbraw/zinc/53/80/02/721538002.db2.gz WRXLDAQRRMBWNW-NXHRZFHOSA-N 1 1 387.415 2.392 20 5 GEBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC001164810062 721538004 /nfs/dbraw/zinc/53/80/04/721538004.db2.gz WRXLDAQRRMBWNW-NXHRZFHOSA-N 1 1 387.415 2.392 20 5 GEBDMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164930717 721856466 /nfs/dbraw/zinc/85/64/66/721856466.db2.gz SIQJJERMYSIOOU-HOTGVXAUSA-N 1 1 390.875 2.406 20 5 GEBDMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164930717 721856467 /nfs/dbraw/zinc/85/64/67/721856467.db2.gz SIQJJERMYSIOOU-HOTGVXAUSA-N 1 1 390.875 2.406 20 5 GEBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001164934828 721889989 /nfs/dbraw/zinc/88/99/89/721889989.db2.gz UREHRTYNYLUWRI-LSDHHAIUSA-N 1 1 390.875 2.406 20 5 GEBDMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001164934828 721889992 /nfs/dbraw/zinc/88/99/92/721889992.db2.gz UREHRTYNYLUWRI-LSDHHAIUSA-N 1 1 390.875 2.406 20 5 GEBDMO COc1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164979787 722112642 /nfs/dbraw/zinc/11/26/42/722112642.db2.gz PYQMDCWPKFTZPV-VQIMIIECSA-N 1 1 399.451 2.121 20 5 GEBDMO O=C(CN1CC[N@H+]2CCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000178632617 532207974 /nfs/dbraw/zinc/20/79/74/532207974.db2.gz YQXWFMJTAPWMLL-GFCCVEGCSA-N 1 1 383.246 2.076 20 5 GEBDMO O=C(CC[N@@H+]1CCn2c(Br)cnc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000279260269 532392207 /nfs/dbraw/zinc/39/22/07/532392207.db2.gz MEOPXVISJLCJTK-UHFFFAOYSA-N 1 1 394.229 2.398 20 5 GEBDMO O=C(CC[N@H+]1CCn2c(Br)cnc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000279260269 532392215 /nfs/dbraw/zinc/39/22/15/532392215.db2.gz MEOPXVISJLCJTK-UHFFFAOYSA-N 1 1 394.229 2.398 20 5 GEBDMO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000284958057 532634898 /nfs/dbraw/zinc/63/48/98/532634898.db2.gz AHBMTOWKNOYINA-VIFPVBQESA-N 1 1 377.825 2.150 20 5 GEBDMO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000284958057 532634904 /nfs/dbraw/zinc/63/49/04/532634904.db2.gz AHBMTOWKNOYINA-VIFPVBQESA-N 1 1 377.825 2.150 20 5 GEBDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000567868945 532668388 /nfs/dbraw/zinc/66/83/88/532668388.db2.gz LDIJULGSIIBTQZ-JTQLQIEISA-N 1 1 381.376 2.234 20 5 GEBDMO C[C@@H](Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000610909412 532720308 /nfs/dbraw/zinc/72/03/08/532720308.db2.gz INFBOXRMAHDBRS-BMIGLBTASA-N 1 1 395.257 2.458 20 5 GEBDMO C[C@@H](Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000610909412 532720313 /nfs/dbraw/zinc/72/03/13/532720313.db2.gz INFBOXRMAHDBRS-BMIGLBTASA-N 1 1 395.257 2.458 20 5 GEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000286127150 532729554 /nfs/dbraw/zinc/72/95/54/532729554.db2.gz WDHHYRLXQBXSAB-JOYOIKCWSA-N 1 1 379.841 2.348 20 5 GEBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000610905317 532719417 /nfs/dbraw/zinc/71/94/17/532719417.db2.gz LSYNMXBUVVTMEZ-CYBMUJFWSA-N 1 1 386.246 2.198 20 5 GEBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c1 ZINC000580131044 532745617 /nfs/dbraw/zinc/74/56/17/532745617.db2.gz XEUUVPATWYQVCJ-LEWSCRJBSA-N 1 1 388.205 2.402 20 5 GEBDMO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c1 ZINC000580131044 532745620 /nfs/dbraw/zinc/74/56/20/532745620.db2.gz XEUUVPATWYQVCJ-LEWSCRJBSA-N 1 1 388.205 2.402 20 5 GEBDMO O=[N+]([O-])c1cnc(N2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)c(Br)c1 ZINC000301560290 532754450 /nfs/dbraw/zinc/75/44/50/532754450.db2.gz KDILMMHOXQMRGD-NEPJUHHUSA-N 1 1 385.262 2.178 20 5 GEBDMO CN(C)c1[nH+]cc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1C ZINC000446112765 532754500 /nfs/dbraw/zinc/75/45/00/532754500.db2.gz IPUGBZJFMMFKSW-UHFFFAOYSA-N 1 1 396.245 2.016 20 5 GEBDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301702344 532758048 /nfs/dbraw/zinc/75/80/48/532758048.db2.gz UEKNLPXYBHVJDV-AWEZNQCLSA-N 1 1 398.305 2.359 20 5 GEBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000359996624 209211616 /nfs/dbraw/zinc/21/16/16/209211616.db2.gz RPGURXGUKHNYGV-CWRNSKLLSA-N 1 1 379.461 2.417 20 5 GEBDMO C[N@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C2)C1 ZINC000292057086 532912458 /nfs/dbraw/zinc/91/24/58/532912458.db2.gz OGEOAEOBAIHRDQ-CQSZACIVSA-N 1 1 377.825 2.104 20 5 GEBDMO CCOCCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)[C@H](C)C1 ZINC000736617622 599063416 /nfs/dbraw/zinc/06/34/16/599063416.db2.gz ZIACQLIVPBHBKW-CJNGLKHVSA-N 1 1 389.460 2.324 20 5 GEBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821614723 599081336 /nfs/dbraw/zinc/08/13/36/599081336.db2.gz SBEFCPXXSCNVJA-MRXNPFEDSA-N 1 1 379.424 2.486 20 5 GEBDMO COc1ccc(OCC[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)c([N+](=O)[O-])c1 ZINC000821842582 599559391 /nfs/dbraw/zinc/55/93/91/599559391.db2.gz SGUCVXLVEWPZQA-UHFFFAOYSA-N 1 1 384.396 2.294 20 5 GEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820761629 606470762 /nfs/dbraw/zinc/47/07/62/606470762.db2.gz YVQIGNFOCVSBMS-DYVFJYSZSA-N 1 1 394.439 2.492 20 5 GEBDMO C[N@H+]1CCC[C@H]2CN(c3cc(-c4nn[nH]n4)c4cc([N+](=O)[O-])ccc4n3)CC[C@H]21 ZINC000821625064 607030451 /nfs/dbraw/zinc/03/04/51/607030451.db2.gz FALKAARTJCOKPK-YVEFUNNKSA-N 1 1 394.439 2.244 20 5 GEBDMO CC[N@H+]1C[C@H](C)N(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C ZINC000825450558 608232235 /nfs/dbraw/zinc/23/22/35/608232235.db2.gz AUXCDNVBQOAQRT-RYUDHWBXSA-N 1 1 382.428 2.242 20 5 GEBDMO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000824770448 608409883 /nfs/dbraw/zinc/40/98/83/608409883.db2.gz KQHZXDZNWUPSAW-GFCCVEGCSA-N 1 1 398.402 2.192 20 5 GEBDMO COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000502375252 650405721 /nfs/dbraw/zinc/40/57/21/650405721.db2.gz CKNOLLZZZGINFF-AWEZNQCLSA-N 1 1 385.467 2.246 20 5 GEBDMO CCCC[N@@H+](C)CCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000489858035 650764805 /nfs/dbraw/zinc/76/48/05/650764805.db2.gz KKIUHUFDFOHBAX-UHFFFAOYSA-N 1 1 394.291 2.368 20 5 GEBDMO C[NH+]1CCN([C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000044314667 642574953 /nfs/dbraw/zinc/57/49/53/642574953.db2.gz GUZAFMXDXUEECJ-ZDUSSCGKSA-N 1 1 380.495 2.436 20 5 GEBDMO CCCc1csc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000494026189 650800403 /nfs/dbraw/zinc/80/04/03/650800403.db2.gz HMNLIRAECPCNOP-UHFFFAOYSA-N 1 1 384.483 2.072 20 5 GEBDMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000173056846 644349776 /nfs/dbraw/zinc/34/97/76/644349776.db2.gz WCRPOFJIPWEQNM-JTQLQIEISA-N 1 1 392.275 2.120 20 5 GEBDMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000173056846 644349778 /nfs/dbraw/zinc/34/97/78/644349778.db2.gz WCRPOFJIPWEQNM-JTQLQIEISA-N 1 1 392.275 2.120 20 5 GEBDMO Cc1c(Br)c(N2CCN(c3[nH+]ccn3C)CC2)ncc1[N+](=O)[O-] ZINC000544394904 650941189 /nfs/dbraw/zinc/94/11/89/650941189.db2.gz TZUVTLNGIHLBHH-UHFFFAOYSA-N 1 1 381.234 2.121 20 5 GEBDMO O=C(NCC[N@H+]1CCCOCC1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000188529814 645116395 /nfs/dbraw/zinc/11/63/95/645116395.db2.gz WCJSSLZULZOIGL-UHFFFAOYSA-N 1 1 387.234 2.201 20 5 GEBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000248988905 645544853 /nfs/dbraw/zinc/54/48/53/645544853.db2.gz WHLFGWMFXANVLP-NEPJUHHUSA-N 1 1 387.889 2.254 20 5 GEBDMO C[C@H](O)C[N@H+]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000248988905 645544857 /nfs/dbraw/zinc/54/48/57/645544857.db2.gz WHLFGWMFXANVLP-NEPJUHHUSA-N 1 1 387.889 2.254 20 5 GEBDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267244113 645891745 /nfs/dbraw/zinc/89/17/45/645891745.db2.gz NBNXBQJZJNYNAJ-ZDUSSCGKSA-N 1 1 398.305 2.359 20 5 GEBDMO C[C@H]1C[N@@H+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000277677624 646460605 /nfs/dbraw/zinc/46/06/05/646460605.db2.gz GOQNGBAULXJKNT-LBPRGKRZSA-N 1 1 391.877 2.027 20 5 GEBDMO Cc1c(Br)cc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000285989845 646863847 /nfs/dbraw/zinc/86/38/47/646863847.db2.gz YHTFPYTZQFRPRU-HUUCEWRRSA-N 1 1 398.257 2.211 20 5 GEBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301927104 647277165 /nfs/dbraw/zinc/27/71/65/647277165.db2.gz HZXVMALBHFVVMG-NSHDSACASA-N 1 1 384.483 2.252 20 5 GEBDMO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000408198388 647935987 /nfs/dbraw/zinc/93/59/87/647935987.db2.gz MUNMBIHXEQPQGB-GFCCVEGCSA-N 1 1 393.241 2.426 20 5 GEBDMO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000408198388 647935995 /nfs/dbraw/zinc/93/59/95/647935995.db2.gz MUNMBIHXEQPQGB-GFCCVEGCSA-N 1 1 393.241 2.426 20 5 GEBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1c(I)cncc1[N+](=O)[O-] ZINC000418962437 648326110 /nfs/dbraw/zinc/32/61/10/648326110.db2.gz GYDNYKJSJXMPNJ-VIFPVBQESA-N 1 1 378.214 2.157 20 5 GEBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000440851304 648816841 /nfs/dbraw/zinc/81/68/41/648816841.db2.gz FMMRYCDRVOJJOK-NSHDSACASA-N 1 1 392.275 2.120 20 5 GEBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000548718062 651083301 /nfs/dbraw/zinc/08/33/01/651083301.db2.gz ASLKIKAYLMSKNS-UHFFFAOYSA-N 1 1 381.845 2.412 20 5 GEBDMO O=[N+]([O-])c1cc(Br)cnc1N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000610769564 651684393 /nfs/dbraw/zinc/68/43/93/651684393.db2.gz KHMYCNOBONEHMP-CYBMUJFWSA-N 1 1 385.262 2.443 20 5 GEBDMO C[C@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[N@H+]1C ZINC000742309057 651978063 /nfs/dbraw/zinc/97/80/63/651978063.db2.gz KHXKXOVNRPQLEP-VHSXEESVSA-N 1 1 392.275 2.118 20 5 GEBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000574322943 652016170 /nfs/dbraw/zinc/01/61/70/652016170.db2.gz VNWWHJDDKYXPAL-NSHDSACASA-N 1 1 381.376 2.376 20 5 GEBDMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000578880043 652301313 /nfs/dbraw/zinc/30/13/13/652301313.db2.gz CMJMCHUJSGUFDB-UHFFFAOYSA-N 1 1 380.202 2.043 20 5 GEBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588864053 652557259 /nfs/dbraw/zinc/55/72/59/652557259.db2.gz YMCDTXSHJHDKST-CHWSQXEVSA-N 1 1 385.873 2.008 20 5 GEBDMO CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000589296733 652564982 /nfs/dbraw/zinc/56/49/82/652564982.db2.gz DDLWVRUUWOECGS-SNVBAGLBSA-N 1 1 394.291 2.364 20 5 GEBDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000593591857 652627739 /nfs/dbraw/zinc/62/77/39/652627739.db2.gz AWDGRVHIZMPXQU-CQSZACIVSA-N 1 1 384.845 2.224 20 5 GEBDMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000598452765 652816664 /nfs/dbraw/zinc/81/66/64/652816664.db2.gz MAADJFNPSJXMDI-OAHLLOKOSA-N 1 1 398.257 2.029 20 5 GEBDMO C[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000599543808 652877183 /nfs/dbraw/zinc/87/71/83/652877183.db2.gz GSILHFCIFHIKBH-NSHDSACASA-N 1 1 386.246 2.055 20 5 GEBDMO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000599594730 652878447 /nfs/dbraw/zinc/87/84/47/652878447.db2.gz IMMLDWVIIFNKJO-GFCCVEGCSA-N 1 1 398.257 2.152 20 5 GEBDMO C[N@H+]1CC[C@@H](Cn2nnnc2Sc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000767809123 652951232 /nfs/dbraw/zinc/95/12/32/652951232.db2.gz YRBNBGHALLBCPG-SECBINFHSA-N 1 1 377.455 2.294 20 5 GEBDMO O=[N+]([O-])c1nn(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Br ZINC000772828560 653168294 /nfs/dbraw/zinc/16/82/94/653168294.db2.gz MPRAMDWEXVEVRB-FZMZJTMJSA-N 1 1 384.278 2.460 20 5 GEBDMO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3n[nH]cc3Br)CC2)cn1 ZINC000602552845 653190737 /nfs/dbraw/zinc/19/07/37/653190737.db2.gz YIPPKSWTJWUOKR-UHFFFAOYSA-N 1 1 381.234 2.234 20 5 GEBDMO CS(=O)(=O)C1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCC1 ZINC000602639110 653197121 /nfs/dbraw/zinc/19/71/21/653197121.db2.gz SXQROVYZDTVJML-UHFFFAOYSA-N 1 1 383.289 2.476 20 5 GEBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809813286 653297923 /nfs/dbraw/zinc/29/79/23/653297923.db2.gz VPNLVZUHCOLPIZ-JTQLQIEISA-N 1 1 379.841 2.398 20 5 GEBDMO CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000809861023 653311574 /nfs/dbraw/zinc/31/15/74/653311574.db2.gz KUUYKJYUQLNUOY-JTQLQIEISA-N 1 1 394.291 2.364 20 5 GEBDMO C[C@@H]1CCC[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000780868338 653634588 /nfs/dbraw/zinc/63/45/88/653634588.db2.gz WKUWEPBYFRZKHT-SNVBAGLBSA-N 1 1 381.376 2.376 20 5 GEBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000814990250 653642081 /nfs/dbraw/zinc/64/20/81/653642081.db2.gz JIMCIGVIEUNOFG-NEPJUHHUSA-N 1 1 377.825 2.292 20 5 GEBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815018905 653644157 /nfs/dbraw/zinc/64/41/57/653644157.db2.gz DKFJFFLBECPRCR-JTQLQIEISA-N 1 1 379.841 2.350 20 5 GEBDMO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000839521977 653653785 /nfs/dbraw/zinc/65/37/85/653653785.db2.gz SDVWMGWOGWGGDB-CQSZACIVSA-N 1 1 375.219 2.415 20 5 GEBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1cc([N+](=O)[O-])ncc1Br ZINC000863031613 653700568 /nfs/dbraw/zinc/70/05/68/653700568.db2.gz IPKQFWHETYSAKG-LLVKDONJSA-N 1 1 383.246 2.499 20 5 GEBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ncc3Br)C2)C1 ZINC000818170396 653726924 /nfs/dbraw/zinc/72/69/24/653726924.db2.gz ODKMHYZLQQXXJL-HNNXBMFYSA-N 1 1 383.246 2.310 20 5 GEBDMO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[C@H]1[NH+]1CCCC1 ZINC000786797355 653728128 /nfs/dbraw/zinc/72/81/28/653728128.db2.gz QHHPVWWPMONRHM-HUUCEWRRSA-N 1 1 385.511 2.014 20 5 GEBDMO C[N@H+]1C[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000819911702 653762040 /nfs/dbraw/zinc/76/20/40/653762040.db2.gz LRDAYFNBZIKDRR-TVQRCGJNSA-N 1 1 377.825 2.102 20 5 GEBDMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000842826412 653769823 /nfs/dbraw/zinc/76/98/23/653769823.db2.gz QFRHBUCUBPUDSY-LLVKDONJSA-N 1 1 392.275 2.120 20 5 GEBDMO C[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000883359090 653837010 /nfs/dbraw/zinc/83/70/10/653837010.db2.gz YCESEEJDXLIUGP-LLVKDONJSA-N 1 1 385.262 2.498 20 5 GEBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC[C@@H]1CC1(Cl)Cl ZINC000823247483 653859773 /nfs/dbraw/zinc/85/97/73/653859773.db2.gz GGENJBDBGOXVHK-LLVKDONJSA-N 1 1 396.296 2.389 20 5 GEBDMO C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)CC[C@@H]21 ZINC000795882894 653974786 /nfs/dbraw/zinc/97/47/86/653974786.db2.gz CCTSZYLNMQYWQR-MFKMUULPSA-N 1 1 391.852 2.492 20 5 GEBDMO CN1CC[NH+](CCCNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000899991743 654046108 /nfs/dbraw/zinc/04/61/08/654046108.db2.gz YJEMSYACENBOGE-UHFFFAOYSA-N 1 1 393.246 2.408 20 5 GEBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1cc([N+](=O)[O-])ncc1Br ZINC000830530073 654124302 /nfs/dbraw/zinc/12/43/02/654124302.db2.gz VKFKFAOMDASVQW-LLVKDONJSA-N 1 1 383.246 2.499 20 5 GEBDMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889763901 654170065 /nfs/dbraw/zinc/17/00/65/654170065.db2.gz OVXYKOZLIIUGQH-GJZGRUSLSA-N 1 1 398.257 2.029 20 5 GEBDMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889770371 654171044 /nfs/dbraw/zinc/17/10/44/654171044.db2.gz ZVATXQULKOAUAH-GJZGRUSLSA-N 1 1 398.257 2.029 20 5 GEBDMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889770372 654171224 /nfs/dbraw/zinc/17/12/24/654171224.db2.gz ZVATXQULKOAUAH-HUUCEWRRSA-N 1 1 398.257 2.029 20 5 GEBDMO CC[NH+]1CCN(C(=O)CNc2ccc(C)c(Br)c2[N+](=O)[O-])CC1 ZINC000804430307 654309566 /nfs/dbraw/zinc/30/95/66/654309566.db2.gz LLUCVVVLFHAWEX-UHFFFAOYSA-N 1 1 385.262 2.242 20 5 GEBDMO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)CC[N@H+]1C ZINC000928437258 654647086 /nfs/dbraw/zinc/64/70/86/654647086.db2.gz BTGCZAKJVNVIFM-UFBFGSQYSA-N 1 1 389.193 2.022 20 5 GEBDMO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC000930016031 654697439 /nfs/dbraw/zinc/69/74/39/654697439.db2.gz AHHIMFXYSALYEB-CQSZACIVSA-N 1 1 375.219 2.415 20 5 GEBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC001164805853 720092898 /nfs/dbraw/zinc/09/28/98/720092898.db2.gz ABAOKUYKPZETJR-KBXCAEBGSA-N 1 1 391.428 2.083 20 5 GEBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721064 720341433 /nfs/dbraw/zinc/34/14/33/720341433.db2.gz ABIZDSNLIDSHOB-IAGOWNOFSA-N 1 1 383.408 2.025 20 5 GEBDMO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164732260 720469487 /nfs/dbraw/zinc/46/94/87/720469487.db2.gz YVNIVLKYWMVVPY-SJORKVTESA-N 1 1 397.435 2.415 20 5 GEBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc([N+](=O)[O-])c(N)n3)CC[C@@H]21 ZINC001164834957 720562123 /nfs/dbraw/zinc/56/21/23/720562123.db2.gz GCGIYZXULNMQGD-JYJNAYRXSA-N 1 1 385.472 2.146 20 5 GEBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc([N+](=O)[O-])cc[n+]1[O-])CC2 ZINC001164844211 720659309 /nfs/dbraw/zinc/65/93/09/720659309.db2.gz YLPGGHLSZHIVJG-LJQANCHMSA-N 1 1 398.463 2.488 20 5 GEBDMO COCC[N@H+]1CCO[C@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)CC[C@@H]2C1 ZINC001164855494 720852831 /nfs/dbraw/zinc/85/28/31/720852831.db2.gz NBHITQSWOGZITL-BEFAXECRSA-N 1 1 386.452 2.317 20 5 GEBDMO COCC[N@H+]1CCO[C@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)CC[C@H]2C1 ZINC001164855497 720853020 /nfs/dbraw/zinc/85/30/20/720853020.db2.gz NBHITQSWOGZITL-KXBFYZLASA-N 1 1 386.452 2.317 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cnc5cc([N+](=O)[O-])ccc5n4)C[C@@H]3C2)cn1 ZINC001164762136 721090954 /nfs/dbraw/zinc/09/09/54/721090954.db2.gz COSVAUNALWTOQA-CVEARBPZSA-N 1 1 393.451 2.230 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cnc5cc([N+](=O)[O-])ccc5n4)C[C@H]3C2)cn1 ZINC001164762141 721093216 /nfs/dbraw/zinc/09/32/16/721093216.db2.gz COSVAUNALWTOQA-JKSUJKDBSA-N 1 1 393.451 2.230 20 5 GEBDMO CCOc1nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164865719 721118029 /nfs/dbraw/zinc/11/80/29/721118029.db2.gz OVKCYHINYKQQRU-IAGOWNOFSA-N 1 1 399.451 2.263 20 5 GEBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)[C@@H]2CCCO[C@@H]21 ZINC001164803767 721545930 /nfs/dbraw/zinc/54/59/30/721545930.db2.gz IZILCCJGSJUOSA-KURKYZTESA-N 1 1 387.415 2.392 20 5 GEBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)[C@@H]2CCCO[C@@H]21 ZINC001164803767 721545933 /nfs/dbraw/zinc/54/59/33/721545933.db2.gz IZILCCJGSJUOSA-KURKYZTESA-N 1 1 387.415 2.392 20 5 GEBDMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001164932463 721856562 /nfs/dbraw/zinc/85/65/62/721856562.db2.gz XYFZVLHMZKODEH-GJZGRUSLSA-N 1 1 390.875 2.406 20 5 GEBDMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001164932463 721856563 /nfs/dbraw/zinc/85/65/63/721856563.db2.gz XYFZVLHMZKODEH-GJZGRUSLSA-N 1 1 390.875 2.406 20 5 GEBDMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001164934826 721890055 /nfs/dbraw/zinc/89/00/55/721890055.db2.gz UREHRTYNYLUWRI-GJZGRUSLSA-N 1 1 390.875 2.406 20 5 GEBDMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001164934826 721890057 /nfs/dbraw/zinc/89/00/57/721890057.db2.gz UREHRTYNYLUWRI-GJZGRUSLSA-N 1 1 390.875 2.406 20 5 GEBDMO COC(=O)[C@@H](C)C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000114062306 531954840 /nfs/dbraw/zinc/95/48/40/531954840.db2.gz JTMGXINFANKKJF-VIFPVBQESA-N 1 1 388.218 2.037 20 5 GEBDMO COC(=O)[C@@H](C)C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000114062306 531954844 /nfs/dbraw/zinc/95/48/44/531954844.db2.gz JTMGXINFANKKJF-VIFPVBQESA-N 1 1 388.218 2.037 20 5 GEBDMO COCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000123184397 532095446 /nfs/dbraw/zinc/09/54/46/532095446.db2.gz MVZBXOBWXJPSNH-LLVKDONJSA-N 1 1 386.246 2.150 20 5 GEBDMO COCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000123184397 532095450 /nfs/dbraw/zinc/09/54/50/532095450.db2.gz MVZBXOBWXJPSNH-LLVKDONJSA-N 1 1 386.246 2.150 20 5 GEBDMO COCCC[N@@H+](C)CCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000125239445 532133953 /nfs/dbraw/zinc/13/39/53/532133953.db2.gz SSTBUFZTIGXARE-UHFFFAOYSA-N 1 1 388.262 2.364 20 5 GEBDMO Cc1c(Br)cc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000127941607 532159075 /nfs/dbraw/zinc/15/90/75/532159075.db2.gz NORMDQTTXYCZKF-QMTHXVAHSA-N 1 1 386.246 2.115 20 5 GEBDMO Cc1c(Br)cc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000127941607 532159079 /nfs/dbraw/zinc/15/90/79/532159079.db2.gz NORMDQTTXYCZKF-QMTHXVAHSA-N 1 1 386.246 2.115 20 5 GEBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1Br ZINC000128430048 532164483 /nfs/dbraw/zinc/16/44/83/532164483.db2.gz SXDUUSIMBFFIDW-OLZOCXBDSA-N 1 1 398.257 2.340 20 5 GEBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1Br ZINC000128430048 532164488 /nfs/dbraw/zinc/16/44/88/532164488.db2.gz SXDUUSIMBFFIDW-OLZOCXBDSA-N 1 1 398.257 2.340 20 5 GEBDMO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000467409131 532446311 /nfs/dbraw/zinc/44/63/11/532446311.db2.gz UFKILRKRYRLJAL-UHFFFAOYSA-N 1 1 391.515 2.132 20 5 GEBDMO Cc1c(Br)cc(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000378256822 532686309 /nfs/dbraw/zinc/68/63/09/532686309.db2.gz ZOMZTBDCUVFYQH-OLZOCXBDSA-N 1 1 398.257 2.259 20 5 GEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000286127142 532730174 /nfs/dbraw/zinc/73/01/74/532730174.db2.gz WDHHYRLXQBXSAB-BXKDBHETSA-N 1 1 379.841 2.348 20 5 GEBDMO C[C@@H](Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000610909414 532719460 /nfs/dbraw/zinc/71/94/60/532719460.db2.gz INFBOXRMAHDBRS-MEBBXXQBSA-N 1 1 395.257 2.458 20 5 GEBDMO C[C@@H](Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000610909414 532719463 /nfs/dbraw/zinc/71/94/63/532719463.db2.gz INFBOXRMAHDBRS-MEBBXXQBSA-N 1 1 395.257 2.458 20 5 GEBDMO C[C@H]1C[N@H+](C2CCN(c3c(Br)cncc3[N+](=O)[O-])CC2)CCO1 ZINC000301988660 532764346 /nfs/dbraw/zinc/76/43/46/532764346.db2.gz NYMXGOCECKGQSE-NSHDSACASA-N 1 1 385.262 2.442 20 5 GEBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000072010504 209216648 /nfs/dbraw/zinc/21/66/48/209216648.db2.gz IKCIZVMNMWHYRK-GFCCVEGCSA-N 1 1 394.391 2.241 20 5 GEBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2C[C@H](O)C[C@@H]2CO)cc1 ZINC000359974498 209208462 /nfs/dbraw/zinc/20/84/62/209208462.db2.gz OXHQZHBTZVUOBL-WOJBJXKFSA-N 1 1 394.431 2.375 20 5 GEBDMO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000289548000 532858441 /nfs/dbraw/zinc/85/84/41/532858441.db2.gz RSNKLPGTWKRWDM-SECBINFHSA-N 1 1 377.825 2.150 20 5 GEBDMO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccncc1Cl ZINC000421825396 532890559 /nfs/dbraw/zinc/89/05/59/532890559.db2.gz NJJDHHNBPXKOSI-LLVKDONJSA-N 1 1 384.845 2.272 20 5 GEBDMO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000362635458 532896384 /nfs/dbraw/zinc/89/63/84/532896384.db2.gz ALSHZCBPGDNLSN-HNNXBMFYSA-N 1 1 381.479 2.447 20 5 GEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCc3c(Br)cccc3C2)c1 ZINC000368780856 532934364 /nfs/dbraw/zinc/93/43/64/532934364.db2.gz XGUASQKMGRMHBS-CQSZACIVSA-N 1 1 395.257 2.363 20 5 GEBDMO 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378.292 2.307 20 5 GEBDMO C[C@H](O)C[N@@H+]1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000602650975 653197517 /nfs/dbraw/zinc/19/75/17/653197517.db2.gz UHGGWUYKQAIEND-UWVGGRQHSA-N 1 1 378.292 2.306 20 5 GEBDMO C[C@H](O)C[N@H+]1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000602650975 653197525 /nfs/dbraw/zinc/19/75/25/653197525.db2.gz UHGGWUYKQAIEND-UWVGGRQHSA-N 1 1 378.292 2.306 20 5 GEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000602818244 653208238 /nfs/dbraw/zinc/20/82/38/653208238.db2.gz CNUWCOVBDIYJRR-UHFFFAOYSA-N 1 1 389.275 2.418 20 5 GEBDMO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809817049 653299488 /nfs/dbraw/zinc/29/94/88/653299488.db2.gz VSCFZJGDLNLHKK-SNVBAGLBSA-N 1 1 377.825 2.245 20 5 GEBDMO CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809817049 653299500 /nfs/dbraw/zinc/29/95/00/653299500.db2.gz VSCFZJGDLNLHKK-SNVBAGLBSA-N 1 1 377.825 2.245 20 5 GEBDMO Cc1[nH+]ccn1CC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000837607839 653454513 /nfs/dbraw/zinc/45/45/13/653454513.db2.gz QWOXCXDIGBOJQF-UHFFFAOYSA-N 1 1 379.214 2.447 20 5 GEBDMO C[C@@H]1CCC[N@H+]1CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000780864652 653633898 /nfs/dbraw/zinc/63/38/98/653633898.db2.gz DSQCYMAERKYADH-SNVBAGLBSA-N 1 1 392.275 2.120 20 5 GEBDMO C[N@@H+](CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000881863744 653744310 /nfs/dbraw/zinc/74/43/10/653744310.db2.gz DJEWSWMFEGLKBN-GFCCVEGCSA-N 1 1 388.287 2.411 20 5 GEBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC000822150551 653819724 /nfs/dbraw/zinc/81/97/24/653819724.db2.gz GZZBTADMERGKHB-LLVKDONJSA-N 1 1 385.262 2.494 20 5 GEBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000823275934 653860683 /nfs/dbraw/zinc/86/06/83/653860683.db2.gz IKPTWLUJPOPUHS-TVQRCGJNSA-N 1 1 383.246 2.106 20 5 GEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000794825590 653921453 /nfs/dbraw/zinc/92/14/53/653921453.db2.gz WBEQMLUXIXSKBU-ZDUSSCGKSA-N 1 1 399.289 2.394 20 5 GEBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000828958486 654056270 /nfs/dbraw/zinc/05/62/70/654056270.db2.gz FWICJINKIWLMNI-VXGBXAGGSA-N 1 1 383.246 2.248 20 5 GEBDMO C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000900812092 654082180 /nfs/dbraw/zinc/08/21/80/654082180.db2.gz RHHMPABZMKZIKE-RISCZKNCSA-N 1 1 386.905 2.091 20 5 GEBDMO Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000799750737 654109537 /nfs/dbraw/zinc/10/95/37/654109537.db2.gz DVIDWDAXHWHPAE-UHFFFAOYSA-N 1 1 392.275 2.040 20 5 GEBDMO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)C[C@@H]21 ZINC000832272106 654256702 /nfs/dbraw/zinc/25/67/02/654256702.db2.gz GHQBQKLKZFGXAU-KCJUWKMLSA-N 1 1 380.253 2.226 20 5 GEBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)C[C@@H]21 ZINC000832272106 654256705 /nfs/dbraw/zinc/25/67/05/654256705.db2.gz GHQBQKLKZFGXAU-KCJUWKMLSA-N 1 1 380.253 2.226 20 5 GEBDMO O=C1CC2(CCOCC2)[N@H+](Cc2cccc([N+](=O)[O-])c2Br)CCN1 ZINC000872285412 654321783 /nfs/dbraw/zinc/32/17/83/654321783.db2.gz RYLKUZXWFHOSTM-UHFFFAOYSA-N 1 1 398.257 2.228 20 5 GEBDMO O=C1CC2(CCOCC2)[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)CCN1 ZINC000872285412 654321789 /nfs/dbraw/zinc/32/17/89/654321789.db2.gz RYLKUZXWFHOSTM-UHFFFAOYSA-N 1 1 398.257 2.228 20 5 GEBDMO COC1(OC)CCOC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000931676368 654753001 /nfs/dbraw/zinc/75/30/01/654753001.db2.gz VKKCRTPPBFBWPS-CYBMUJFWSA-N 1 1 375.219 2.225 20 5 GEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000933436620 654812916 /nfs/dbraw/zinc/81/29/16/654812916.db2.gz USEWWHXFMIPGOR-JOYOIKCWSA-N 1 1 385.262 2.352 20 5 GEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000933436618 654812919 /nfs/dbraw/zinc/81/29/19/654812919.db2.gz USEWWHXFMIPGOR-BXKDBHETSA-N 1 1 385.262 2.352 20 5 GEBDMO O=[N+]([O-])c1cccc(Br)c1CN1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934275294 654842686 /nfs/dbraw/zinc/84/26/86/654842686.db2.gz OIYNRVXTQFNLRT-HOTGVXAUSA-N 1 1 384.274 2.388 20 5 GEBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164731031 720406154 /nfs/dbraw/zinc/40/61/54/720406154.db2.gz YEVBGWBQLPNBGF-CABCVRRESA-N 1 1 375.816 2.130 20 5 GEBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(N)c([N+](=O)[O-])cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834983 720557114 /nfs/dbraw/zinc/55/71/14/720557114.db2.gz GJODMJWCYABUGG-HLLBOEOZSA-N 1 1 385.472 2.146 20 5 GEBDMO CCOc1nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164865720 721119059 /nfs/dbraw/zinc/11/90/59/721119059.db2.gz OVKCYHINYKQQRU-IRXDYDNUSA-N 1 1 399.451 2.263 20 5 GEBDMO CCOc1nc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164784854 721420440 /nfs/dbraw/zinc/42/04/40/721420440.db2.gz LRWNQHBJJCGCSQ-CHWSQXEVSA-N 1 1 375.454 2.413 20 5 GEBDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001164934771 721883447 /nfs/dbraw/zinc/88/34/47/721883447.db2.gz TXIIASJVWPSCNL-RBUKOAKNSA-N 1 1 382.468 2.266 20 5 GEBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001164934771 721883450 /nfs/dbraw/zinc/88/34/50/721883450.db2.gz TXIIASJVWPSCNL-RBUKOAKNSA-N 1 1 382.468 2.266 20 5 GEBDMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001164934825 721889941 /nfs/dbraw/zinc/88/99/41/721889941.db2.gz UREHRTYNYLUWRI-CABCVRRESA-N 1 1 390.875 2.406 20 5 GEBDMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001164934825 721889944 /nfs/dbraw/zinc/88/99/44/721889944.db2.gz UREHRTYNYLUWRI-CABCVRRESA-N 1 1 390.875 2.406 20 5 GEBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c1 ZINC001164968126 722077963 /nfs/dbraw/zinc/07/79/63/722077963.db2.gz ROWBPIABAPAPPG-OKILXGFUSA-N 1 1 389.843 2.491 20 5 GEBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982808 722101011 /nfs/dbraw/zinc/10/10/11/722101011.db2.gz PEHAQPRLMBULJF-MJGOQNOKSA-N 1 1 383.452 2.421 20 5 GEBDMO COc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000057702178 531822428 /nfs/dbraw/zinc/82/24/28/531822428.db2.gz MKYAEMCNVYYYJT-ZDUSSCGKSA-N 1 1 385.467 2.246 20 5 GEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000120612858 531986469 /nfs/dbraw/zinc/98/64/69/531986469.db2.gz YZHQAMYSSHURBB-CYBMUJFWSA-N 1 1 386.246 2.198 20 5 GEBDMO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000173412833 532009948 /nfs/dbraw/zinc/00/99/48/532009948.db2.gz PWPQCXLWADWBJY-LLVKDONJSA-N 1 1 392.275 2.072 20 5 GEBDMO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000173412833 532009951 /nfs/dbraw/zinc/00/99/51/532009951.db2.gz PWPQCXLWADWBJY-LLVKDONJSA-N 1 1 392.275 2.072 20 5 GEBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2ccc(F)cc2Cl)c1 ZINC000135972616 532280822 /nfs/dbraw/zinc/28/08/22/532280822.db2.gz OVKSZKVQQNJGIX-UHFFFAOYSA-N 1 1 387.820 2.455 20 5 GEBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1cccc(Cl)c1F ZINC000150928196 532304144 /nfs/dbraw/zinc/30/41/44/532304144.db2.gz QQAQVGVJNULOHH-UHFFFAOYSA-N 1 1 387.820 2.455 20 5 GEBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000184412922 532332567 /nfs/dbraw/zinc/33/25/67/532332567.db2.gz IZXAFVPOKZJKKV-LBPRGKRZSA-N 1 1 399.289 2.113 20 5 GEBDMO Cc1c(Br)cc(S(=O)(=O)NCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000191860489 532371964 /nfs/dbraw/zinc/37/19/64/532371964.db2.gz NQCLLEFVTDUBJO-UHFFFAOYSA-N 1 1 392.275 2.040 20 5 GEBDMO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000294979891 532393926 /nfs/dbraw/zinc/39/39/26/532393926.db2.gz GMZRHRPODQNBKF-GFCCVEGCSA-N 1 1 384.483 2.136 20 5 GEBDMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000372766492 532407693 /nfs/dbraw/zinc/40/76/93/532407693.db2.gz MJEZVHNUSVDUGY-CABCVRRESA-N 1 1 398.257 2.029 20 5 GEBDMO O=[N+]([O-])c1cncc(Br)c1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000282250042 532451169 /nfs/dbraw/zinc/45/11/69/532451169.db2.gz MUISTOSFTQKMGP-GFCCVEGCSA-N 1 1 385.262 2.301 20 5 GEBDMO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H]1COCCO1 ZINC000595735386 532572362 /nfs/dbraw/zinc/57/23/62/532572362.db2.gz GNOLKCKOZAYDIC-ZDUSSCGKSA-N 1 1 392.193 2.047 20 5 GEBDMO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H]1COCCO1 ZINC000595735386 532572367 /nfs/dbraw/zinc/57/23/67/532572367.db2.gz GNOLKCKOZAYDIC-ZDUSSCGKSA-N 1 1 392.193 2.047 20 5 GEBDMO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1 ZINC000376644991 532622582 /nfs/dbraw/zinc/62/25/82/532622582.db2.gz SUMSFXNYDGFURK-SNVBAGLBSA-N 1 1 377.825 2.246 20 5 GEBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000264071451 532659259 /nfs/dbraw/zinc/65/92/59/532659259.db2.gz BRYWUTZLGHYSAD-UHFFFAOYSA-N 1 1 392.275 2.074 20 5 GEBDMO CC[N@H+]1CCCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000264071451 532659265 /nfs/dbraw/zinc/65/92/65/532659265.db2.gz BRYWUTZLGHYSAD-UHFFFAOYSA-N 1 1 392.275 2.074 20 5 GEBDMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000487398265 532697406 /nfs/dbraw/zinc/69/74/06/532697406.db2.gz AIJWSMHUEPTQHD-DTORHVGOSA-N 1 1 380.253 2.084 20 5 GEBDMO C[N@H+](Cc1ccc(Br)c(F)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000494293644 532715594 /nfs/dbraw/zinc/71/55/94/532715594.db2.gz RBMAQTCLWQAEHS-LBPRGKRZSA-N 1 1 387.209 2.186 20 5 GEBDMO O=[N+]([O-])c1cncc(Br)c1N1CC[NH+](CC2CCOCC2)CC1 ZINC000611227522 532720728 /nfs/dbraw/zinc/72/07/28/532720728.db2.gz OJSLLKLKYJVUNV-UHFFFAOYSA-N 1 1 385.262 2.301 20 5 GEBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000269909541 532793056 /nfs/dbraw/zinc/79/30/56/532793056.db2.gz CBTZNELGYOENJX-LBPRGKRZSA-N 1 1 386.246 2.116 20 5 GEBDMO CNC(=O)CCC[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289322605 532852498 /nfs/dbraw/zinc/85/24/98/532852498.db2.gz GLGAMROHDDTGHR-UHFFFAOYSA-N 1 1 391.209 2.157 20 5 GEBDMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@@H](O)CN1CCOCC1 ZINC000289723144 532863803 /nfs/dbraw/zinc/86/38/03/532863803.db2.gz HBQIDIXKHBFFKS-CYBMUJFWSA-N 1 1 378.256 2.027 20 5 GEBDMO C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@@H](O)CN1CCOCC1 ZINC000289723144 532863807 /nfs/dbraw/zinc/86/38/07/532863807.db2.gz HBQIDIXKHBFFKS-CYBMUJFWSA-N 1 1 378.256 2.027 20 5 GEBDMO C[N@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000290738503 532888080 /nfs/dbraw/zinc/88/80/80/532888080.db2.gz LUNJQMBZWBFBOH-GXFFZTMASA-N 1 1 391.852 2.492 20 5 GEBDMO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccncc1Cl ZINC000421825397 532890896 /nfs/dbraw/zinc/89/08/96/532890896.db2.gz NJJDHHNBPXKOSI-NSHDSACASA-N 1 1 384.845 2.272 20 5 GEBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821597871 599107741 /nfs/dbraw/zinc/10/77/41/599107741.db2.gz JYRBWHZXJBRFRS-OAHLLOKOSA-N 1 1 394.439 2.128 20 5 GEBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736204945 598498608 /nfs/dbraw/zinc/49/86/08/598498608.db2.gz UNNSPAKOIATMQY-TZMCWYRMSA-N 1 1 380.412 2.417 20 5 GEBDMO O=[N+]([O-])c1cnc(N2CC[NH+](C/C=C\c3ccccc3)CC2)c(-c2nn[nH]n2)c1 ZINC000823651121 599397787 /nfs/dbraw/zinc/39/77/87/599397787.db2.gz GOCBZZLQKNMLDA-DAXSKMNVSA-N 1 1 392.423 2.005 20 5 GEBDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)C[C@H](C)O1 ZINC000824976846 607450008 /nfs/dbraw/zinc/45/00/08/607450008.db2.gz PBQCVWVXFZUTDL-TXEJJXNPSA-N 1 1 375.433 2.075 20 5 GEBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826500233 607524802 /nfs/dbraw/zinc/52/48/02/607524802.db2.gz PKICYYFLKZIFJO-GOSISDBHSA-N 1 1 380.408 2.473 20 5 GEBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820571102 606700782 /nfs/dbraw/zinc/70/07/82/606700782.db2.gz VWPYRKLWPUEQCG-JSGCOSHPSA-N 1 1 380.412 2.417 20 5 GEBDMO C[C@@H]1C[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000820667431 606719041 /nfs/dbraw/zinc/71/90/41/606719041.db2.gz MFQXYXWCUXYODM-OCCSQVGLSA-N 1 1 380.412 2.245 20 5 GEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](c3cccc(Br)c3)C2)c1 ZINC000451576100 650127032 /nfs/dbraw/zinc/12/70/32/650127032.db2.gz ZKPIOSMFKRMMGP-XJKSGUPXSA-N 1 1 395.257 2.404 20 5 GEBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCC[N@@H+]1CCCO ZINC000452784790 650197291 /nfs/dbraw/zinc/19/72/91/650197291.db2.gz PURBFSPNJNZWPN-CYBMUJFWSA-N 1 1 387.889 2.303 20 5 GEBDMO Cc1c(Br)cc(C(=O)NCc2c[nH+]c(N(C)C)n2C)cc1[N+](=O)[O-] ZINC000510495025 650512467 /nfs/dbraw/zinc/51/24/67/650512467.db2.gz GPIBEWYDCVCZJJ-UHFFFAOYSA-N 1 1 396.245 2.395 20 5 GEBDMO C[NH+]1CCN([C@H](CNC(=O)c2csc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000044314668 642575125 /nfs/dbraw/zinc/57/51/25/642575125.db2.gz GUZAFMXDXUEECJ-CYBMUJFWSA-N 1 1 380.495 2.436 20 5 GEBDMO 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2.159 20 5 GEBDMO O=C(OCCC[NH+]1CCOCC1)c1cc([N+](=O)[O-])c(Br)cc1F ZINC000751693352 652363696 /nfs/dbraw/zinc/36/36/96/652363696.db2.gz YWNMDZJVHQUPQM-UHFFFAOYSA-N 1 1 391.193 2.376 20 5 GEBDMO C[C@@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000585808173 652538474 /nfs/dbraw/zinc/53/84/74/652538474.db2.gz SAIVQTLQEGJJRR-NOZJJQNGSA-N 1 1 387.234 2.198 20 5 GEBDMO C[C@@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000585808173 652538479 /nfs/dbraw/zinc/53/84/79/652538479.db2.gz SAIVQTLQEGJJRR-NOZJJQNGSA-N 1 1 387.234 2.198 20 5 GEBDMO C[C@@]1(C[NH+]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCCS1 ZINC000600105924 652904042 /nfs/dbraw/zinc/90/40/42/652904042.db2.gz FIYOFTSKFKWJEC-INIZCTEOSA-N 1 1 385.511 2.187 20 5 GEBDMO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)[C@H](C)C1 ZINC000602650973 653197714 /nfs/dbraw/zinc/19/77/14/653197714.db2.gz UHGGWUYKQAIEND-NXEZZACHSA-N 1 1 378.292 2.306 20 5 GEBDMO C[C@@H](O)C[N@H+]1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)[C@H](C)C1 ZINC000602650973 653197718 /nfs/dbraw/zinc/19/77/18/653197718.db2.gz UHGGWUYKQAIEND-NXEZZACHSA-N 1 1 378.292 2.306 20 5 GEBDMO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000602757562 653204346 /nfs/dbraw/zinc/20/43/46/653204346.db2.gz AZBLFNZPBWPCJA-UHFFFAOYSA-N 1 1 395.261 2.079 20 5 GEBDMO Cn1cc(C[N@@H+]2CC[C@H](Oc3cncc(Br)c3)C2)c([N+](=O)[O-])n1 ZINC000602887239 653212542 /nfs/dbraw/zinc/21/25/42/653212542.db2.gz NPZPOYMPQWMTNK-LBPRGKRZSA-N 1 1 382.218 2.139 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@H](Oc3cncc(Br)c3)C2)c([N+](=O)[O-])n1 ZINC000602887239 653212549 /nfs/dbraw/zinc/21/25/49/653212549.db2.gz NPZPOYMPQWMTNK-LBPRGKRZSA-N 1 1 382.218 2.139 20 5 GEBDMO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809842462 653308712 /nfs/dbraw/zinc/30/87/12/653308712.db2.gz DWDOEXICGLPHRV-SNVBAGLBSA-N 1 1 379.841 2.492 20 5 GEBDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809842462 653308719 /nfs/dbraw/zinc/30/87/19/653308719.db2.gz DWDOEXICGLPHRV-SNVBAGLBSA-N 1 1 379.841 2.492 20 5 GEBDMO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000857335404 653310964 /nfs/dbraw/zinc/31/09/64/653310964.db2.gz UGJAMXKOAPERLP-GFCCVEGCSA-N 1 1 398.257 2.029 20 5 GEBDMO Cc1ccc(NCCC[N@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1Br ZINC000858687217 653374841 /nfs/dbraw/zinc/37/48/41/653374841.db2.gz AJIODMNUNKFDDL-LBPRGKRZSA-N 1 1 385.262 2.417 20 5 GEBDMO C[N@H+]1CCCC[C@@H](CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000859303674 653437860 /nfs/dbraw/zinc/43/78/60/653437860.db2.gz XQDXMKPWXHQHLX-JTQLQIEISA-N 1 1 379.841 2.398 20 5 GEBDMO O=[N+]([O-])c1sc(CNC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1Br ZINC000877021744 653460838 /nfs/dbraw/zinc/46/08/38/653460838.db2.gz FXYQKAXDSCFDBR-NXEZZACHSA-N 1 1 376.276 2.372 20 5 GEBDMO C[C@H]1CCC[N@H+]1CCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000780869017 653634576 /nfs/dbraw/zinc/63/45/76/653634576.db2.gz ZZSYJRXXAHZITQ-JTQLQIEISA-N 1 1 392.275 2.120 20 5 GEBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815009086 653643008 /nfs/dbraw/zinc/64/30/08/653643008.db2.gz ZHEQRHDACCJWMI-JTQLQIEISA-N 1 1 379.841 2.398 20 5 GEBDMO C[N@H+]1CCC[C@H](CCNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000841546308 653731066 /nfs/dbraw/zinc/73/10/66/653731066.db2.gz LPCGBEKXOXJWKV-SNVBAGLBSA-N 1 1 379.841 2.398 20 5 GEBDMO C[N@H+]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)[C@H](Cc2ccccc2)C1 ZINC000844743434 653816116 /nfs/dbraw/zinc/81/61/16/653816116.db2.gz XNJZWRQUAACGGF-CQSZACIVSA-N 1 1 394.273 2.370 20 5 GEBDMO Cc1c(Br)c(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)ncc1[N+](=O)[O-] ZINC000897220583 653911154 /nfs/dbraw/zinc/91/11/54/653911154.db2.gz BSYMBRWPOZYHIL-NWDGAFQWSA-N 1 1 385.262 2.096 20 5 GEBDMO Cc1c(Br)c(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)ncc1[N+](=O)[O-] ZINC000897220583 653911158 /nfs/dbraw/zinc/91/11/58/653911158.db2.gz BSYMBRWPOZYHIL-NWDGAFQWSA-N 1 1 385.262 2.096 20 5 GEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000794825588 653921304 /nfs/dbraw/zinc/92/13/04/653921304.db2.gz WBEQMLUXIXSKBU-CYBMUJFWSA-N 1 1 399.289 2.394 20 5 GEBDMO COC[C@H]1CC[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795432078 653952376 /nfs/dbraw/zinc/95/23/76/653952376.db2.gz MJSOEVVEYOYTNA-JTQLQIEISA-N 1 1 384.230 2.239 20 5 GEBDMO COC[C@H]1CC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795432078 653952380 /nfs/dbraw/zinc/95/23/80/653952380.db2.gz MJSOEVVEYOYTNA-JTQLQIEISA-N 1 1 384.230 2.239 20 5 GEBDMO CN(CC(=O)NCC[N@@H+](C)C1CC1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000795556494 653958486 /nfs/dbraw/zinc/95/84/86/653958486.db2.gz LIBWRSOUDWRGNG-UHFFFAOYSA-N 1 1 385.262 2.004 20 5 GEBDMO C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)CC[C@H]21 ZINC000795882896 653974768 /nfs/dbraw/zinc/97/47/68/653974768.db2.gz CCTSZYLNMQYWQR-ZWNOBZJWSA-N 1 1 391.852 2.492 20 5 GEBDMO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000919836278 654193862 /nfs/dbraw/zinc/19/38/62/654193862.db2.gz AEXQBVCFGIYGOI-VHSXEESVSA-N 1 1 377.825 2.245 20 5 GEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000919836278 654193863 /nfs/dbraw/zinc/19/38/63/654193863.db2.gz AEXQBVCFGIYGOI-VHSXEESVSA-N 1 1 377.825 2.245 20 5 GEBDMO Cc1c(Br)c(=O)n(Cc2[nH+]ccn2CC(F)F)cc1[N+](=O)[O-] ZINC000871666003 654250187 /nfs/dbraw/zinc/25/01/87/654250187.db2.gz MXKXCIZUKOJAGY-UHFFFAOYSA-N 1 1 377.145 2.337 20 5 GEBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000802994279 654254829 /nfs/dbraw/zinc/25/48/29/654254829.db2.gz UHXQSZQALCIVNI-RYUDHWBXSA-N 1 1 399.289 2.345 20 5 GEBDMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000906441609 654437675 /nfs/dbraw/zinc/43/76/75/654437675.db2.gz NNMVMNUHPDXRRX-CYBMUJFWSA-N 1 1 398.257 2.340 20 5 GEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC000933799032 654827606 /nfs/dbraw/zinc/82/76/06/654827606.db2.gz UZVPCKMHHMZHAH-SNVBAGLBSA-N 1 1 385.262 2.353 20 5 GEBDMO O=[N+]([O-])c1cc(Br)ccc1CN1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934275182 654842757 /nfs/dbraw/zinc/84/27/57/654842757.db2.gz SKHADIFPXYXYIJ-HUUCEWRRSA-N 1 1 384.274 2.388 20 5 GEBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)ncc1[N+](=O)[O-])C2 ZINC001164807532 720071366 /nfs/dbraw/zinc/07/13/66/720071366.db2.gz FVCRKPXVMVUKFQ-DYVFJYSZSA-N 1 1 381.864 2.223 20 5 GEBDMO O=[N+]([O-])c1ccc2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2c1 ZINC001164738876 720671982 /nfs/dbraw/zinc/67/19/82/720671982.db2.gz LESSYGGQGCKQQB-IRXDYDNUSA-N 1 1 392.419 2.275 20 5 GEBDMO Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ccc1[N+](=O)[O-] ZINC001164742123 720810887 /nfs/dbraw/zinc/81/08/87/720810887.db2.gz CEVSNXNPRBKMRT-ZIFCJYIRSA-N 1 1 397.483 2.269 20 5 GEBDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)cc(C)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164852560 720847165 /nfs/dbraw/zinc/84/71/65/720847165.db2.gz KVBWMTCJTRHAJX-UONOGXRCSA-N 1 1 384.864 2.125 20 5 GEBDMO Cc1nc(Cl)nc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164787689 721390559 /nfs/dbraw/zinc/39/05/59/721390559.db2.gz QVSLAFDZTQAJLS-QWRGUYRKSA-N 1 1 380.861 2.371 20 5 GEBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]12 ZINC001164810060 721538439 /nfs/dbraw/zinc/53/84/39/721538439.db2.gz WRXLDAQRRMBWNW-KBAYOESNSA-N 1 1 387.415 2.392 20 5 GEBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]12 ZINC001164810060 721538443 /nfs/dbraw/zinc/53/84/43/721538443.db2.gz WRXLDAQRRMBWNW-KBAYOESNSA-N 1 1 387.415 2.392 20 5 GEBDMO Cc1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164984097 722101487 /nfs/dbraw/zinc/10/14/87/722101487.db2.gz RRQYNQMAVRZHJQ-IEBWSBKVSA-N 1 1 383.452 2.421 20 5 GEBDMO Cc1ccnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164977265 722106243 /nfs/dbraw/zinc/10/62/43/722106243.db2.gz FNFKRDVONFIISE-QZTJIDSGSA-N 1 1 383.452 2.421 20 5 GEBDMO O=[N+]([O-])c1cc(F)cnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980669 722106273 /nfs/dbraw/zinc/10/62/73/722106273.db2.gz JWGAQTAMWYHODY-YJBOKZPZSA-N 1 1 387.415 2.251 20 5 GEBDMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162166773 531836683 /nfs/dbraw/zinc/83/66/83/531836683.db2.gz YKXOXRWRDAWMRD-LLVKDONJSA-N 1 1 381.376 2.376 20 5 GEBDMO CCN1CC[NH+](CCCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000176981595 532158110 /nfs/dbraw/zinc/15/81/10/532158110.db2.gz QCEGSJVHAAWISG-UHFFFAOYSA-N 1 1 399.289 2.115 20 5 GEBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000188294952 532347719 /nfs/dbraw/zinc/34/77/19/532347719.db2.gz WHLFGWMFXANVLP-NWDGAFQWSA-N 1 1 387.889 2.254 20 5 GEBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000188294952 532347720 /nfs/dbraw/zinc/34/77/20/532347720.db2.gz WHLFGWMFXANVLP-NWDGAFQWSA-N 1 1 387.889 2.254 20 5 GEBDMO O=[N+]([O-])c1cncc(I)c1NCc1c[nH+]c2n1CCCC2 ZINC000561228083 532433428 /nfs/dbraw/zinc/43/34/28/532433428.db2.gz XOKXDTIZIFGINQ-UHFFFAOYSA-N 1 1 399.192 2.161 20 5 GEBDMO O=[N+]([O-])c1cnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c(Br)c1 ZINC000282350274 532460121 /nfs/dbraw/zinc/46/01/21/532460121.db2.gz WRONTXFAHHMLHV-GFCCVEGCSA-N 1 1 385.262 2.301 20 5 GEBDMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000296497084 532524372 /nfs/dbraw/zinc/52/43/72/532524372.db2.gz SUDXDPBMLJFXTF-LLVKDONJSA-N 1 1 376.240 2.478 20 5 GEBDMO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000432337330 532534885 /nfs/dbraw/zinc/53/48/85/532534885.db2.gz BAUSFPADUFRDOG-GFCCVEGCSA-N 1 1 391.877 2.027 20 5 GEBDMO Cc1c(Br)c(NCCC[N@H+]2CCCO[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000432879116 532546510 /nfs/dbraw/zinc/54/65/10/532546510.db2.gz SGOIGZUQNUZSIR-LLVKDONJSA-N 1 1 387.278 2.974 20 5 GEBDMO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000376598779 532620440 /nfs/dbraw/zinc/62/04/40/532620440.db2.gz FRRQMNOVLVGNAN-LLVKDONJSA-N 1 1 375.397 2.266 20 5 GEBDMO CCC[N@@H+](CC)CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000474181393 532609338 /nfs/dbraw/zinc/60/93/38/532609338.db2.gz GVDZRNYFXWVLCI-UHFFFAOYSA-N 1 1 394.291 2.368 20 5 GEBDMO C[N@H+]1CCCN(CCCNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599480555 532661452 /nfs/dbraw/zinc/66/14/52/532661452.db2.gz BXJVLJVVVDBNMX-UHFFFAOYSA-N 1 1 399.289 2.115 20 5 GEBDMO CN1CCC[N@H+](CCCNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599480555 532661459 /nfs/dbraw/zinc/66/14/59/532661459.db2.gz BXJVLJVVVDBNMX-UHFFFAOYSA-N 1 1 399.289 2.115 20 5 GEBDMO CN1CCC[N@@H+](CCCNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599480555 532661466 /nfs/dbraw/zinc/66/14/66/532661466.db2.gz BXJVLJVVVDBNMX-UHFFFAOYSA-N 1 1 399.289 2.115 20 5 GEBDMO COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000569511805 532696702 /nfs/dbraw/zinc/69/67/02/532696702.db2.gz LFKIFWOGSBFISI-ZDUSSCGKSA-N 1 1 385.467 2.246 20 5 GEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000285685148 532698175 /nfs/dbraw/zinc/69/81/75/532698175.db2.gz HWKVLIYMNFJJLD-LSDHHAIUSA-N 1 1 398.257 2.211 20 5 GEBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000492253673 532712234 /nfs/dbraw/zinc/71/22/34/532712234.db2.gz QIEYEMKCZBLGDF-NSHDSACASA-N 1 1 385.262 2.357 20 5 GEBDMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000359864827 209195740 /nfs/dbraw/zinc/19/57/40/209195740.db2.gz CXPFSZBYQZUOBU-CQSZACIVSA-N 1 1 392.475 2.296 20 5 GEBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000359864827 209195744 /nfs/dbraw/zinc/19/57/44/209195744.db2.gz CXPFSZBYQZUOBU-CQSZACIVSA-N 1 1 392.475 2.296 20 5 GEBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000071959181 211065761 /nfs/dbraw/zinc/06/57/61/211065761.db2.gz LCGRKDFKDSPUPO-INIZCTEOSA-N 1 1 398.463 2.305 20 5 GEBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000416285193 532869300 /nfs/dbraw/zinc/86/93/00/532869300.db2.gz BUNYWWYZACYTLO-VXGBXAGGSA-N 1 1 387.889 2.254 20 5 GEBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000416285193 532869303 /nfs/dbraw/zinc/86/93/03/532869303.db2.gz BUNYWWYZACYTLO-VXGBXAGGSA-N 1 1 387.889 2.254 20 5 GEBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000416408198 532876496 /nfs/dbraw/zinc/87/64/96/532876496.db2.gz OOSBHBWKQZCIAH-ONGXEEELSA-N 1 1 381.376 2.375 20 5 GEBDMO C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000290738513 532888040 /nfs/dbraw/zinc/88/80/40/532888040.db2.gz LUNJQMBZWBFBOH-ZWNOBZJWSA-N 1 1 391.852 2.492 20 5 GEBDMO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000290759396 532888502 /nfs/dbraw/zinc/88/85/02/532888502.db2.gz NJKBXFZCCOUAEK-ZJUUUORDSA-N 1 1 379.841 2.491 20 5 GEBDMO C[N@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)C2)C1 ZINC000291999212 532911814 /nfs/dbraw/zinc/91/18/14/532911814.db2.gz LFALQLXVLUZYOY-CQSZACIVSA-N 1 1 377.825 2.104 20 5 GEBDMO C[C@H](c1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)c1)[NH+]1CCOCC1 ZINC000736199009 598502082 /nfs/dbraw/zinc/50/20/82/598502082.db2.gz LWGYJYJKNNHTPG-GFCCVEGCSA-N 1 1 396.411 2.307 20 5 GEBDMO O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc(-c3nn[nH]n3)c2c1 ZINC000823645539 599483390 /nfs/dbraw/zinc/48/33/90/599483390.db2.gz TUJJSJWUSOFKCK-NEPJUHHUSA-N 1 1 380.412 2.362 20 5 GEBDMO CN(c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821619237 606715608 /nfs/dbraw/zinc/71/56/08/606715608.db2.gz OUKPOACSSVCLFP-OAHLLOKOSA-N 1 1 394.439 2.271 20 5 GEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](CCO)Cc1cccc(Br)c1 ZINC000488236507 650743219 /nfs/dbraw/zinc/74/32/19/650743219.db2.gz QSUCQTDDTHHSAL-UHFFFAOYSA-N 1 1 396.241 2.014 20 5 GEBDMO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)c1 ZINC000533637420 650764169 /nfs/dbraw/zinc/76/41/69/650764169.db2.gz AWNRUAPLOGXOHK-UHFFFAOYSA-N 1 1 382.211 2.469 20 5 GEBDMO CC[N@H+](CCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000494395711 650806675 /nfs/dbraw/zinc/80/66/75/650806675.db2.gz YGLZOSNLSIJEPP-UHFFFAOYSA-N 1 1 383.392 2.456 20 5 GEBDMO CC[N@@H+](CCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000494395711 650806676 /nfs/dbraw/zinc/80/66/76/650806676.db2.gz YGLZOSNLSIJEPP-UHFFFAOYSA-N 1 1 383.392 2.456 20 5 GEBDMO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NCC[NH+]1CCCCC1 ZINC000096997249 643092878 /nfs/dbraw/zinc/09/28/78/643092878.db2.gz QESHRSOYBQHAFI-UHFFFAOYSA-N 1 1 392.275 2.122 20 5 GEBDMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000109065084 643288843 /nfs/dbraw/zinc/28/88/43/643288843.db2.gz ZFACPPXFWHQRBW-JTQLQIEISA-N 1 1 394.291 2.366 20 5 GEBDMO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000123356084 643666663 /nfs/dbraw/zinc/66/66/63/643666663.db2.gz LNRJKZCJYVUUOJ-NSHDSACASA-N 1 1 392.275 2.072 20 5 GEBDMO CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000123356084 643666666 /nfs/dbraw/zinc/66/66/66/643666666.db2.gz LNRJKZCJYVUUOJ-NSHDSACASA-N 1 1 392.275 2.072 20 5 GEBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCS(=O)(=O)NCc2ccccc2)c1 ZINC000237827028 645444058 /nfs/dbraw/zinc/44/40/58/645444058.db2.gz MSDGWXPKHVQQRD-UHFFFAOYSA-N 1 1 383.857 2.457 20 5 GEBDMO COc1ccc(Br)cc1C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266472805 645845699 /nfs/dbraw/zinc/84/56/99/645845699.db2.gz RTSGVGJBGYRYLP-CQSZACIVSA-N 1 1 399.245 2.055 20 5 GEBDMO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000277677621 646460361 /nfs/dbraw/zinc/46/03/61/646460361.db2.gz GOQNGBAULXJKNT-GFCCVEGCSA-N 1 1 391.877 2.027 20 5 GEBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1C[C@H]2[C@H](C1)C[N@H+]1CCCC[C@@H]21 ZINC000363260506 647589572 /nfs/dbraw/zinc/58/95/72/647589572.db2.gz WXAHUCRKWXVXMF-UBHSHLNASA-N 1 1 385.873 2.353 20 5 GEBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1Br ZINC000371287794 647790324 /nfs/dbraw/zinc/79/03/24/647790324.db2.gz SXDUUSIMBFFIDW-STQMWFEESA-N 1 1 398.257 2.340 20 5 GEBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1Br ZINC000371287794 647790331 /nfs/dbraw/zinc/79/03/31/647790331.db2.gz SXDUUSIMBFFIDW-STQMWFEESA-N 1 1 398.257 2.340 20 5 GEBDMO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000420764827 648453350 /nfs/dbraw/zinc/45/33/50/648453350.db2.gz KMSPWIMVPWETER-LLVKDONJSA-N 1 1 392.275 2.072 20 5 GEBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2c(Br)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000550177152 651106323 /nfs/dbraw/zinc/10/63/23/651106323.db2.gz PYFDZNOXQZADTF-GRYCIOLGSA-N 1 1 389.246 2.206 20 5 GEBDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2c(Br)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000550177152 651106325 /nfs/dbraw/zinc/10/63/25/651106325.db2.gz PYFDZNOXQZADTF-GRYCIOLGSA-N 1 1 389.246 2.206 20 5 GEBDMO CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000569892316 651731832 /nfs/dbraw/zinc/73/18/32/651731832.db2.gz YUFCONQBLMKVNE-SNVBAGLBSA-N 1 1 394.291 2.364 20 5 GEBDMO CCOC(=O)CC[N@H+](CC1CC1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000743359193 652017628 /nfs/dbraw/zinc/01/76/28/652017628.db2.gz UOJUGUPZONJTJL-UHFFFAOYSA-N 1 1 375.223 2.177 20 5 GEBDMO CCOC(=O)CC[N@@H+](CC1CC1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000743359193 652017631 /nfs/dbraw/zinc/01/76/31/652017631.db2.gz UOJUGUPZONJTJL-UHFFFAOYSA-N 1 1 375.223 2.177 20 5 GEBDMO Cc1c(Br)c(N2CC[C@@H](C[NH+]3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000582632725 652457109 /nfs/dbraw/zinc/45/71/09/652457109.db2.gz HJBJASHLBOWTEW-LBPRGKRZSA-N 1 1 385.262 2.219 20 5 GEBDMO COc1ccc(CSCC(=O)OCC[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000757931794 652525851 /nfs/dbraw/zinc/52/58/51/652525851.db2.gz BKKRRRVURAAYQB-UHFFFAOYSA-N 1 1 386.495 2.429 20 5 GEBDMO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H](O)C1CC1 ZINC000589255294 652563641 /nfs/dbraw/zinc/56/36/41/652563641.db2.gz MOOAVYHCTPAHNJ-CYBMUJFWSA-N 1 1 376.194 2.402 20 5 GEBDMO COCC[N@H+]1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599160875 652851415 /nfs/dbraw/zinc/85/14/15/652851415.db2.gz KHRWHNWNJSXORN-UHFFFAOYSA-N 1 1 386.246 2.152 20 5 GEBDMO Cc1c(Br)cc(C(=O)NC2CC([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000600068011 652901958 /nfs/dbraw/zinc/90/19/58/652901958.db2.gz YQZBCUBKTIUYIK-UHFFFAOYSA-N 1 1 398.257 2.259 20 5 GEBDMO O=[N+]([O-])c1sc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1Br ZINC000602460031 653183200 /nfs/dbraw/zinc/18/32/00/653183200.db2.gz RGDGTWMZUSYHDP-STQMWFEESA-N 1 1 390.303 2.450 20 5 GEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000602886645 653212595 /nfs/dbraw/zinc/21/25/95/653212595.db2.gz LBLSPXMJBVQREN-CYBMUJFWSA-N 1 1 396.245 2.411 20 5 GEBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000814987196 653642056 /nfs/dbraw/zinc/64/20/56/653642056.db2.gz LLKMWLCXRYIHCR-VIFPVBQESA-N 1 1 377.825 2.150 20 5 GEBDMO C[C@H]1CCC[N@H+]1CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000841516412 653725198 /nfs/dbraw/zinc/72/51/98/653725198.db2.gz ZAWPLTDFRAAZAN-JTQLQIEISA-N 1 1 381.376 2.376 20 5 GEBDMO C[N@H+]1CC[C@H]2CN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866205488 653788895 /nfs/dbraw/zinc/78/88/95/653788895.db2.gz MRKMLRUVDGDQLS-CMPLNLGQSA-N 1 1 375.397 2.122 20 5 GEBDMO C[N@H+]1C[C@@H]2CCN(C(=O)NCc3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000896447161 653880350 /nfs/dbraw/zinc/88/03/50/653880350.db2.gz QNWHCQYEMGYGJG-SMDDNHRTSA-N 1 1 383.246 2.203 20 5 GEBDMO CN([C@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000867424304 653931034 /nfs/dbraw/zinc/93/10/34/653931034.db2.gz NRTWANFTWJOGTG-LBPRGKRZSA-N 1 1 377.825 2.102 20 5 GEBDMO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000795796334 653967306 /nfs/dbraw/zinc/96/73/06/653967306.db2.gz OHRDPRBDMYLUES-VXGBXAGGSA-N 1 1 377.825 2.292 20 5 GEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795837512 653969470 /nfs/dbraw/zinc/96/94/70/653969470.db2.gz IZBZVQUOFNTIFE-SNVBAGLBSA-N 1 1 379.841 2.350 20 5 GEBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)CC[C@@H]21 ZINC000867809894 653991021 /nfs/dbraw/zinc/99/10/21/653991021.db2.gz VDXQMGUAQLTBCM-SKDRFNHKSA-N 1 1 377.825 2.102 20 5 GEBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)CC[C@H]21 ZINC000867809891 653991136 /nfs/dbraw/zinc/99/11/36/653991136.db2.gz VDXQMGUAQLTBCM-BXKDBHETSA-N 1 1 377.825 2.102 20 5 GEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000796867915 654010678 /nfs/dbraw/zinc/01/06/78/654010678.db2.gz XWYUYKRRHVVNLL-GFCCVEGCSA-N 1 1 399.289 2.252 20 5 GEBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000868967716 654064984 /nfs/dbraw/zinc/06/49/84/654064984.db2.gz QDRGXXXXCKVQNC-SWLSCSKDSA-N 1 1 382.258 2.452 20 5 GEBDMO O=[N+]([O-])c1cn(Cc2cccc(C[NH+]3CCOCC3)c2)c(Br)n1 ZINC000849993234 654065194 /nfs/dbraw/zinc/06/51/94/654065194.db2.gz RGHWTXLDUWDSCX-UHFFFAOYSA-N 1 1 381.230 2.434 20 5 GEBDMO O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000900790875 654080390 /nfs/dbraw/zinc/08/03/90/654080390.db2.gz AIOHXNUIGMDNAU-QWHCGFSZSA-N 1 1 398.257 2.029 20 5 GEBDMO C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000900812093 654082094 /nfs/dbraw/zinc/08/20/94/654082094.db2.gz RHHMPABZMKZIKE-SMDDNHRTSA-N 1 1 386.905 2.091 20 5 GEBDMO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000919842719 654194213 /nfs/dbraw/zinc/19/42/13/654194213.db2.gz VIHCVTAINZPWEF-VHSXEESVSA-N 1 1 377.825 2.245 20 5 GEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000919842719 654194218 /nfs/dbraw/zinc/19/42/18/654194218.db2.gz VIHCVTAINZPWEF-VHSXEESVSA-N 1 1 377.825 2.245 20 5 GEBDMO CN(CC(=O)NCC[N@@H+]1CC=CCC1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000803284781 654272306 /nfs/dbraw/zinc/27/23/06/654272306.db2.gz RYNYFDIUJANJLQ-UHFFFAOYSA-N 1 1 397.273 2.172 20 5 GEBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856738106 654488894 /nfs/dbraw/zinc/48/88/94/654488894.db2.gz SFAKNXRBEIEWDB-CQSZACIVSA-N 1 1 397.273 2.276 20 5 GEBDMO COCCOCC[NH+]1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856768226 654493699 /nfs/dbraw/zinc/49/36/99/654493699.db2.gz DLEUGSHHACDUCM-UHFFFAOYSA-N 1 1 388.262 2.142 20 5 GEBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000933447143 654813886 /nfs/dbraw/zinc/81/38/86/654813886.db2.gz UWZIBQOPPCUEKY-ONGXEEELSA-N 1 1 385.262 2.494 20 5 GEBDMO O=[N+]([O-])c1cccc(Br)c1CN1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934275299 654842636 /nfs/dbraw/zinc/84/26/36/654842636.db2.gz OIYNRVXTQFNLRT-HZPDHXFCSA-N 1 1 384.274 2.388 20 5 GEBDMO O=[N+]([O-])c1cc(Br)ccc1CN1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934275180 654842711 /nfs/dbraw/zinc/84/27/11/654842711.db2.gz SKHADIFPXYXYIJ-GJZGRUSLSA-N 1 1 384.274 2.388 20 5 GEBDMO O=[N+]([O-])c1cccc(CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1Br ZINC000934276643 654842724 /nfs/dbraw/zinc/84/27/24/654842724.db2.gz ZGCGIQYCRSAUIU-KGLIPLIRSA-N 1 1 384.274 2.388 20 5 GEBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)ncc1[N+](=O)[O-])C2 ZINC001164807534 720071844 /nfs/dbraw/zinc/07/18/44/720071844.db2.gz FVCRKPXVMVUKFQ-GUYCJALGSA-N 1 1 381.864 2.223 20 5 GEBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc([N+](=O)[O-])c(OC)n1)C2 ZINC001164810381 720087691 /nfs/dbraw/zinc/08/76/91/720087691.db2.gz LKBHMUAWCNCZCM-BEFAXECRSA-N 1 1 376.457 2.183 20 5 GEBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])C2 ZINC001164811742 720138386 /nfs/dbraw/zinc/13/83/86/720138386.db2.gz NDONITVJKOCPBM-KBXCAEBGSA-N 1 1 396.875 2.066 20 5 GEBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835956 720596633 /nfs/dbraw/zinc/59/66/33/720596633.db2.gz DAJCJQMMDRPRBA-QILLFSRXSA-N 1 1 385.472 2.146 20 5 GEBDMO Cc1cc([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1Cl ZINC001164737251 720667543 /nfs/dbraw/zinc/66/75/43/720667543.db2.gz DUMSXUJEXGDKDC-OLZOCXBDSA-N 1 1 390.831 2.084 20 5 GEBDMO Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ccc1[N+](=O)[O-] ZINC001164742120 720810824 /nfs/dbraw/zinc/81/08/24/720810824.db2.gz CEVSNXNPRBKMRT-ZHALLVOQSA-N 1 1 397.483 2.269 20 5 GEBDMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)CC[C@H]2C1 ZINC001164858212 720848383 /nfs/dbraw/zinc/84/83/83/720848383.db2.gz ZCJYOZCWNUORQJ-QFBILLFUSA-N 1 1 386.452 2.317 20 5 GEBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])[C@@H]2C ZINC001164857123 720976845 /nfs/dbraw/zinc/97/68/45/720976845.db2.gz CLAHACLWLKEARA-GFCCVEGCSA-N 1 1 394.863 2.500 20 5 GEBDMO Cc1nc(Cl)nc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC001164762976 721074526 /nfs/dbraw/zinc/07/45/26/721074526.db2.gz FPWLKYRFSUWYRB-KGLIPLIRSA-N 1 1 391.863 2.038 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc(Cl)cc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164771583 721077904 /nfs/dbraw/zinc/07/79/04/721077904.db2.gz SCESOHNZPJJYLU-KBPBESRZSA-N 1 1 376.848 2.335 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cnc5ccc([N+](=O)[O-])cc5n4)C[C@@H]3C2)cn1 ZINC001164772679 721085778 /nfs/dbraw/zinc/08/57/78/721085778.db2.gz VRNKKQMWEUFWHY-HOTGVXAUSA-N 1 1 393.451 2.230 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc5ccc([N+](=O)[O-])cc54)C[C@@H]3C2)cn1 ZINC001164766393 721115145 /nfs/dbraw/zinc/11/51/45/721115145.db2.gz KYWGFNSBEMYPIR-HOTGVXAUSA-N 1 1 393.451 2.230 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc5ccc([N+](=O)[O-])cc54)C[C@@H]3C2)cn1 ZINC001164766392 721116618 /nfs/dbraw/zinc/11/66/18/721116618.db2.gz KYWGFNSBEMYPIR-CVEARBPZSA-N 1 1 393.451 2.230 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc5cc([N+](=O)[O-])ccc54)C[C@H]3C2)cn1 ZINC001164773743 721119099 /nfs/dbraw/zinc/11/90/99/721119099.db2.gz YVLOBFFTCLBYMS-HZPDHXFCSA-N 1 1 393.451 2.230 20 5 GEBDMO COc1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164909310 721527508 /nfs/dbraw/zinc/52/75/08/721527508.db2.gz RHIKPOAVSLEBJU-GOEBONIOSA-N 1 1 388.399 2.479 20 5 GEBDMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001164934769 721883151 /nfs/dbraw/zinc/88/31/51/721883151.db2.gz TXIIASJVWPSCNL-MOPGFXCFSA-N 1 1 382.468 2.266 20 5 GEBDMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001164934769 721883153 /nfs/dbraw/zinc/88/31/53/721883153.db2.gz TXIIASJVWPSCNL-MOPGFXCFSA-N 1 1 382.468 2.266 20 5 GEBDMO COc1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164979784 722112831 /nfs/dbraw/zinc/11/28/31/722112831.db2.gz PYQMDCWPKFTZPV-APWZRJJASA-N 1 1 399.451 2.121 20 5 GEBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000042987407 531675847 /nfs/dbraw/zinc/67/58/47/531675847.db2.gz QXWWYRLHKPMYDA-ZDUSSCGKSA-N 1 1 385.467 2.246 20 5 GEBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000042987409 531676813 /nfs/dbraw/zinc/67/68/13/531676813.db2.gz QXWWYRLHKPMYDA-CYBMUJFWSA-N 1 1 385.467 2.246 20 5 GEBDMO C[N@@H+](CCc1ccc(Br)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173708500 532027562 /nfs/dbraw/zinc/02/75/62/532027562.db2.gz JOAZCWYMNSVSNO-HNNXBMFYSA-N 1 1 383.246 2.089 20 5 GEBDMO COCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000123184624 532095650 /nfs/dbraw/zinc/09/56/50/532095650.db2.gz MVZBXOBWXJPSNH-NSHDSACASA-N 1 1 386.246 2.150 20 5 GEBDMO COCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000123184624 532095655 /nfs/dbraw/zinc/09/56/55/532095655.db2.gz MVZBXOBWXJPSNH-NSHDSACASA-N 1 1 386.246 2.150 20 5 GEBDMO O=[N+]([O-])c1ccc(C[NH2+]CCS(=O)(=O)NCc2ccccc2)c(Cl)c1 ZINC000183544148 532326280 /nfs/dbraw/zinc/32/62/80/532326280.db2.gz BQEHULBZPXPDTO-UHFFFAOYSA-N 1 1 383.857 2.457 20 5 GEBDMO C[N@H+]1CCO[C@@H]2CN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])C[C@H]21 ZINC000471691649 532557261 /nfs/dbraw/zinc/55/72/61/532557261.db2.gz GWUKMCYICQKABF-HUUCEWRRSA-N 1 1 393.241 2.425 20 5 GEBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)C[C@H]21 ZINC000375710748 532577917 /nfs/dbraw/zinc/57/79/17/532577917.db2.gz MWAIPPXZVIYTIA-JOYOIKCWSA-N 1 1 377.825 2.102 20 5 GEBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1ccsc1Cl ZINC000480368141 532663930 /nfs/dbraw/zinc/66/39/30/532663930.db2.gz CEUNOYPBBCXUOJ-UHFFFAOYSA-N 1 1 375.859 2.378 20 5 GEBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301278344 532747857 /nfs/dbraw/zinc/74/78/57/532747857.db2.gz PIUYRQVVAVATFQ-AWEZNQCLSA-N 1 1 397.273 2.100 20 5 GEBDMO Cn1cc[nH+]c1CC1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000301941388 532763103 /nfs/dbraw/zinc/76/31/03/532763103.db2.gz VXKPJWZWEWIGTA-UHFFFAOYSA-N 1 1 384.483 2.252 20 5 GEBDMO CN(C[C@@H]1CC[N@@H+](C)C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462291422 532802434 /nfs/dbraw/zinc/80/24/34/532802434.db2.gz QYOYVWYWGLHWQO-SECBINFHSA-N 1 1 382.269 2.474 20 5 GEBDMO C[C@@H](O)[C@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000289483568 532856425 /nfs/dbraw/zinc/85/64/25/532856425.db2.gz IPHYNPFRHZDBAV-KOLCDFICSA-N 1 1 376.194 2.402 20 5 GEBDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000289483568 532856427 /nfs/dbraw/zinc/85/64/27/532856427.db2.gz IPHYNPFRHZDBAV-KOLCDFICSA-N 1 1 376.194 2.402 20 5 GEBDMO C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000416387247 532874645 /nfs/dbraw/zinc/87/46/45/532874645.db2.gz MENINDCGPNCENN-SECBINFHSA-N 1 1 381.376 2.375 20 5 GEBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c(-c2nn[nH]n2)c1 ZINC000738374950 598945154 /nfs/dbraw/zinc/94/51/54/598945154.db2.gz UVBNQJZKTSOFQA-AWEZNQCLSA-N 1 1 380.412 2.246 20 5 GEBDMO C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1Cc1ccccc1 ZINC000820727075 599109562 /nfs/dbraw/zinc/10/95/62/599109562.db2.gz GJYWXAWRZSJJNO-CQSZACIVSA-N 1 1 394.439 2.271 20 5 GEBDMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1c1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821625256 599539450 /nfs/dbraw/zinc/53/94/50/599539450.db2.gz JJDYSTJIMSSSHG-IAGOWNOFSA-N 1 1 394.439 2.386 20 5 GEBDMO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1-c1nn[nH]n1 ZINC000826194951 607480548 /nfs/dbraw/zinc/48/05/48/607480548.db2.gz BTQNEXHWWYUULI-UHFFFAOYSA-N 1 1 395.423 2.106 20 5 GEBDMO CC[N@@H+](CCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)C ZINC000444169165 649938855 /nfs/dbraw/zinc/93/88/55/649938855.db2.gz OYTNOMQRQDGDSS-UHFFFAOYSA-N 1 1 394.291 2.366 20 5 GEBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820705545 606710643 /nfs/dbraw/zinc/71/06/43/606710643.db2.gz UZXGBYGEPSHVIU-KGLIPLIRSA-N 1 1 386.460 2.261 20 5 GEBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821597863 606713373 /nfs/dbraw/zinc/71/33/73/606713373.db2.gz JXJBHCAMKNKMLQ-OAHLLOKOSA-N 1 1 394.439 2.128 20 5 GEBDMO CN(c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821619242 606789203 /nfs/dbraw/zinc/78/92/03/606789203.db2.gz OWPKMESJPJANDB-INIZCTEOSA-N 1 1 379.424 2.486 20 5 GEBDMO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000823619802 607165967 /nfs/dbraw/zinc/16/59/67/607165967.db2.gz BGDBFBDRVGLQLQ-UHFFFAOYSA-N 1 1 398.402 2.021 20 5 GEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](c3cccc(Br)c3)C2)c1 ZINC000451576098 650126993 /nfs/dbraw/zinc/12/69/93/650126993.db2.gz ZKPIOSMFKRMMGP-CZUORRHYSA-N 1 1 395.257 2.404 20 5 GEBDMO C[C@@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000504438260 650431509 /nfs/dbraw/zinc/43/15/09/650431509.db2.gz ISEMTTUCBJIRFQ-ZJUUUORDSA-N 1 1 389.861 2.131 20 5 GEBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000462500538 650481961 /nfs/dbraw/zinc/48/19/61/650481961.db2.gz LAKXNENNNKMFPV-ONGXEEELSA-N 1 1 392.275 2.118 20 5 GEBDMO O=C(NCC[NH+]1CCSCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000488888936 650752031 /nfs/dbraw/zinc/75/20/31/650752031.db2.gz GGBPGUSDQRXOMQ-UHFFFAOYSA-N 1 1 378.479 2.497 20 5 GEBDMO Cc1cc(Br)cc2c1C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000539377962 650843863 /nfs/dbraw/zinc/84/38/63/650843863.db2.gz XVGDZXCQLUJIIY-HNNXBMFYSA-N 1 1 395.257 2.281 20 5 GEBDMO Cc1cc(Br)cc2c1C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000539377962 650843865 /nfs/dbraw/zinc/84/38/65/650843865.db2.gz XVGDZXCQLUJIIY-HNNXBMFYSA-N 1 1 395.257 2.281 20 5 GEBDMO NC(=O)c1ccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000541981412 650884447 /nfs/dbraw/zinc/88/44/47/650884447.db2.gz AXJLRBTZVAYQDM-AWEZNQCLSA-N 1 1 394.225 2.279 20 5 GEBDMO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)[N@@H+](C)C1CC1 ZINC000170787968 644287052 /nfs/dbraw/zinc/28/70/52/644287052.db2.gz FPZLGLXLHAHFES-SECBINFHSA-N 1 1 392.275 2.118 20 5 GEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2cccc(Cl)c2F)cc1 ZINC000177567230 644418663 /nfs/dbraw/zinc/41/86/63/644418663.db2.gz ROZVYBUKXIWZPV-UHFFFAOYSA-N 1 1 387.820 2.455 20 5 GEBDMO C[NH+](C)[C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000178931440 644445338 /nfs/dbraw/zinc/44/53/38/644445338.db2.gz MDKNYCWIVYXVKK-OAHLLOKOSA-N 1 1 383.495 2.421 20 5 GEBDMO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)C[NH+]1CCOCC1 ZINC000180569833 644507868 /nfs/dbraw/zinc/50/78/68/644507868.db2.gz NTSJCODALYALOO-LLVKDONJSA-N 1 1 386.246 2.055 20 5 GEBDMO CN(C)C(=O)C[NH+]1CCC(Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000264563770 645692602 /nfs/dbraw/zinc/69/26/02/645692602.db2.gz QINFBXDMKNCMLF-UHFFFAOYSA-N 1 1 385.262 2.322 20 5 GEBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000266511583 645846802 /nfs/dbraw/zinc/84/68/02/645846802.db2.gz XOZMQNXWLSYLGM-UHFFFAOYSA-N 1 1 394.229 2.053 20 5 GEBDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000270953238 646157499 /nfs/dbraw/zinc/15/74/99/646157499.db2.gz MKBZNZLVZVUXOI-ZDUSSCGKSA-N 1 1 398.305 2.359 20 5 GEBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301909278 647276661 /nfs/dbraw/zinc/27/66/61/647276661.db2.gz AWJNSRYRVITEFA-CQSZACIVSA-N 1 1 397.273 2.276 20 5 GEBDMO C[N@H+]1CCO[C@@H]2CN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])C[C@@H]21 ZINC000408224348 647939202 /nfs/dbraw/zinc/93/92/02/647939202.db2.gz GWUKMCYICQKABF-LSDHHAIUSA-N 1 1 393.241 2.425 20 5 GEBDMO Cc1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc(N2CCCC2)[nH+]1 ZINC000565978925 651601320 /nfs/dbraw/zinc/60/13/20/651601320.db2.gz UKQOJRSBIYSULI-UHFFFAOYSA-N 1 1 382.467 2.438 20 5 GEBDMO C[C@H]1C[N@@H+](C)CCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000568817036 651681505 /nfs/dbraw/zinc/68/15/05/651681505.db2.gz YVYRODJGEMEKRS-JTQLQIEISA-N 1 1 375.210 2.335 20 5 GEBDMO Cc1nc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)s1 ZINC000611335989 651720688 /nfs/dbraw/zinc/72/06/88/651720688.db2.gz CANPVGQRTLDXBP-SNVBAGLBSA-N 1 1 384.483 2.297 20 5 GEBDMO Cc1c(Br)c(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)ncc1[N+](=O)[O-] ZINC000612444734 651756962 /nfs/dbraw/zinc/75/69/62/651756962.db2.gz CZLXUPSAEICELL-ZDUSSCGKSA-N 1 1 398.305 2.277 20 5 GEBDMO Cc1c(Br)c(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)ncc1[N+](=O)[O-] ZINC000612444728 651757194 /nfs/dbraw/zinc/75/71/94/651757194.db2.gz CZLXUPSAEICELL-CYBMUJFWSA-N 1 1 398.305 2.277 20 5 GEBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000619475610 652060915 /nfs/dbraw/zinc/06/09/15/652060915.db2.gz SCHSTIIBQRJGNH-CYBMUJFWSA-N 1 1 385.467 2.246 20 5 GEBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000619473438 652060949 /nfs/dbraw/zinc/06/09/49/652060949.db2.gz RONGQGXSMJPYJP-LBPRGKRZSA-N 1 1 385.467 2.246 20 5 GEBDMO C[N@@H+]1CCC[C@H]1CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000584498660 652523016 /nfs/dbraw/zinc/52/30/16/652523016.db2.gz AMFQZOSZNMBHLQ-LBPRGKRZSA-N 1 1 375.210 2.383 20 5 GEBDMO C[N@H+]1CCC[C@H]1CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000584498660 652523018 /nfs/dbraw/zinc/52/30/18/652523018.db2.gz AMFQZOSZNMBHLQ-LBPRGKRZSA-N 1 1 375.210 2.383 20 5 GEBDMO C[N@H+](CCn1cc(Br)cn1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589210502 652562044 /nfs/dbraw/zinc/56/20/44/652562044.db2.gz JTNVUYMAMFMNRR-UHFFFAOYSA-N 1 1 397.229 2.457 20 5 GEBDMO C[N@@H+](CCn1cc(Br)cn1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589210502 652562046 /nfs/dbraw/zinc/56/20/46/652562046.db2.gz JTNVUYMAMFMNRR-UHFFFAOYSA-N 1 1 397.229 2.457 20 5 GEBDMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccsc1 ZINC000593529175 652624250 /nfs/dbraw/zinc/62/42/50/652624250.db2.gz YKQLDFJZYKVDLR-CQSZACIVSA-N 1 1 384.483 2.413 20 5 GEBDMO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[NH+](C2CCOCC2)CC1 ZINC000599625896 652880876 /nfs/dbraw/zinc/88/08/76/652880876.db2.gz QRWNDZBXTZYWMN-UHFFFAOYSA-N 1 1 398.257 2.294 20 5 GEBDMO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccc(F)c2)c([N+](=O)[O-])s1 ZINC000601343153 653087438 /nfs/dbraw/zinc/08/74/38/653087438.db2.gz KMDTWHUTFFRVSK-ZDUSSCGKSA-N 1 1 385.442 2.439 20 5 GEBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602698830 653201175 /nfs/dbraw/zinc/20/11/75/653201175.db2.gz ZNHKUGMDBLCJKX-UWVGGRQHSA-N 1 1 378.292 2.306 20 5 GEBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602698830 653201179 /nfs/dbraw/zinc/20/11/79/653201179.db2.gz ZNHKUGMDBLCJKX-UWVGGRQHSA-N 1 1 378.292 2.306 20 5 GEBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602698829 653201236 /nfs/dbraw/zinc/20/12/36/653201236.db2.gz ZNHKUGMDBLCJKX-NXEZZACHSA-N 1 1 378.292 2.306 20 5 GEBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602698829 653201237 /nfs/dbraw/zinc/20/12/37/653201237.db2.gz ZNHKUGMDBLCJKX-NXEZZACHSA-N 1 1 378.292 2.306 20 5 GEBDMO CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000809861045 653311402 /nfs/dbraw/zinc/31/14/02/653311402.db2.gz LJXBIWXVJLZPBE-JTQLQIEISA-N 1 1 394.291 2.364 20 5 GEBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815018907 653644160 /nfs/dbraw/zinc/64/41/60/653644160.db2.gz DKFJFFLBECPRCR-SNVBAGLBSA-N 1 1 379.841 2.350 20 5 GEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000818978077 653739991 /nfs/dbraw/zinc/73/99/91/653739991.db2.gz QHZKVKFRHNDPBI-ZDUSSCGKSA-N 1 1 399.289 2.346 20 5 GEBDMO C[N@@H+]1C[C@@H]2CCCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000819953177 653763482 /nfs/dbraw/zinc/76/34/82/653763482.db2.gz LBEPEPNBPFXXSG-IINYFYTJSA-N 1 1 375.397 2.122 20 5 GEBDMO C[N@H+]1C[C@@H]2CCCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000819953177 653763483 /nfs/dbraw/zinc/76/34/83/653763483.db2.gz LBEPEPNBPFXXSG-IINYFYTJSA-N 1 1 375.397 2.122 20 5 GEBDMO C[NH+]1CCC2(CCN2c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000897132873 653908931 /nfs/dbraw/zinc/90/89/31/653908931.db2.gz CPZPJLSJAHJMGP-UHFFFAOYSA-N 1 1 375.397 2.266 20 5 GEBDMO C[N@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)CC[C@@H]21 ZINC000795882890 653974875 /nfs/dbraw/zinc/97/48/75/653974875.db2.gz CCTSZYLNMQYWQR-GWCFXTLKSA-N 1 1 391.852 2.492 20 5 GEBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000867810108 653990980 /nfs/dbraw/zinc/99/09/80/653990980.db2.gz WYMGDUOYHVJVEH-SKDRFNHKSA-N 1 1 377.825 2.102 20 5 GEBDMO C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000867810107 653991108 /nfs/dbraw/zinc/99/11/08/653991108.db2.gz WYMGDUOYHVJVEH-JOYOIKCWSA-N 1 1 377.825 2.102 20 5 GEBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000828958484 654056278 /nfs/dbraw/zinc/05/62/78/654056278.db2.gz FWICJINKIWLMNI-NWDGAFQWSA-N 1 1 383.246 2.248 20 5 GEBDMO C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000900810946 654082123 /nfs/dbraw/zinc/08/21/23/654082123.db2.gz IVBYFZVIOZQWLF-ZANVPECISA-N 1 1 375.256 2.266 20 5 GEBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000869777792 654122621 /nfs/dbraw/zinc/12/26/21/654122621.db2.gz OMBKAJGWUZICIV-JTQLQIEISA-N 1 1 376.240 2.477 20 5 GEBDMO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CC[NH+]3CCC2CC3)c1Cl ZINC000831222973 654172605 /nfs/dbraw/zinc/17/26/05/654172605.db2.gz FVBNVWJZGQUDIH-UHFFFAOYSA-N 1 1 380.253 2.370 20 5 GEBDMO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000921348323 654253042 /nfs/dbraw/zinc/25/30/42/654253042.db2.gz TUSGZQFJQWEUNS-NOZJJQNGSA-N 1 1 377.825 2.102 20 5 GEBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000921348323 654253044 /nfs/dbraw/zinc/25/30/44/654253044.db2.gz TUSGZQFJQWEUNS-NOZJJQNGSA-N 1 1 377.825 2.102 20 5 GEBDMO O=[N+]([O-])c1cccc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1Br ZINC000852707910 654254961 /nfs/dbraw/zinc/25/49/61/654254961.db2.gz LFYGMPSYMACSRP-CQSZACIVSA-N 1 1 384.274 2.388 20 5 GEBDMO CNC(=O)C[NH+]1CCC(Nc2ccc(C)c(Br)c2[N+](=O)[O-])CC1 ZINC000804345662 654306111 /nfs/dbraw/zinc/30/61/11/654306111.db2.gz BILASJCJANDNHZ-UHFFFAOYSA-N 1 1 385.262 2.288 20 5 GEBDMO C[N@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)C[C@@H]21 ZINC001164669925 719469169 /nfs/dbraw/zinc/46/91/69/719469169.db2.gz VXZSLQPCXNKCCF-JKSUJKDBSA-N 1 1 375.816 2.224 20 5 GEBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])C2 ZINC001164815854 720121195 /nfs/dbraw/zinc/12/11/95/720121195.db2.gz WKZAUXUOFDSLNH-KDOFPFPSSA-N 1 1 396.875 2.066 20 5 GEBDMO Cc1cc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164737081 720665665 /nfs/dbraw/zinc/66/56/65/720665665.db2.gz CXXISUSRNQJIMZ-STQMWFEESA-N 1 1 390.831 2.084 20 5 GEBDMO O=[N+]([O-])c1cccc2nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)ccc21 ZINC001164736706 720689000 /nfs/dbraw/zinc/68/90/00/720689000.db2.gz AMZKWIUGPZGYTK-LSDHHAIUSA-N 1 1 392.419 2.275 20 5 GEBDMO Cc1c(C)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164864086 721099249 /nfs/dbraw/zinc/09/92/49/721099249.db2.gz DZLGFSDOCCKTIE-ROUUACIJSA-N 1 1 383.452 2.481 20 5 GEBDMO O=[N+]([O-])c1c[nH]c2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc21 ZINC001164865501 721107009 /nfs/dbraw/zinc/10/70/09/721107009.db2.gz LZPBMOIUTHMNQR-JKSUJKDBSA-N 1 1 394.435 2.346 20 5 GEBDMO CCOc1nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164865721 721118162 /nfs/dbraw/zinc/11/81/62/721118162.db2.gz OVKCYHINYKQQRU-SJORKVTESA-N 1 1 399.451 2.263 20 5 GEBDMO COc1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164909309 721527559 /nfs/dbraw/zinc/52/75/59/721527559.db2.gz RHIKPOAVSLEBJU-GDBMZVCRSA-N 1 1 388.399 2.479 20 5 GEBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])C[C@H]21 ZINC001165027666 721800779 /nfs/dbraw/zinc/80/07/79/721800779.db2.gz XFMWWIWENSCMGL-ATZDWAIDSA-N 1 1 383.452 2.360 20 5 GEBDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164930718 721856820 /nfs/dbraw/zinc/85/68/20/721856820.db2.gz SIQJJERMYSIOOU-HZPDHXFCSA-N 1 1 390.875 2.406 20 5 GEBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164930718 721856821 /nfs/dbraw/zinc/85/68/21/721856821.db2.gz SIQJJERMYSIOOU-HZPDHXFCSA-N 1 1 390.875 2.406 20 5 GEBDMO O=[N+]([O-])c1ccc(C(F)(F)N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)nc1Cl ZINC001164964929 722069505 /nfs/dbraw/zinc/06/95/05/722069505.db2.gz FPDRLVXCYDEMKV-TXEJJXNPSA-N 1 1 388.802 2.488 20 5 GEBDMO O=[N+]([O-])c1ccc(C(F)(F)N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)nc1Cl ZINC001164964929 722069508 /nfs/dbraw/zinc/06/95/08/722069508.db2.gz FPDRLVXCYDEMKV-TXEJJXNPSA-N 1 1 388.802 2.488 20 5 GEBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1 ZINC001164967603 722070366 /nfs/dbraw/zinc/07/03/66/722070366.db2.gz RPTQQTMBVRHDRA-BETUJISGSA-N 1 1 388.802 2.488 20 5 GEBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c1 ZINC001164967603 722070367 /nfs/dbraw/zinc/07/03/67/722070367.db2.gz RPTQQTMBVRHDRA-BETUJISGSA-N 1 1 388.802 2.488 20 5 GEBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982810 722101191 /nfs/dbraw/zinc/10/11/91/722101191.db2.gz PEHAQPRLMBULJF-PKOBYXMFSA-N 1 1 383.452 2.421 20 5 GEBDMO COc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164976644 722111072 /nfs/dbraw/zinc/11/10/72/722111072.db2.gz LZWLUIBWPATPRZ-APWZRJJASA-N 1 1 399.451 2.121 20 5 GEBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000154745394 531631303 /nfs/dbraw/zinc/63/13/03/531631303.db2.gz CAVVEDFMTPIMGE-LLVKDONJSA-N 1 1 389.193 2.023 20 5 GEBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCN(Cc3ccc(Br)cc3)CC2)c1 ZINC000163855368 531865543 /nfs/dbraw/zinc/86/55/43/531865543.db2.gz IBQFRFOFUUYNOH-UHFFFAOYSA-N 1 1 394.273 2.372 20 5 GEBDMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174164080 532053461 /nfs/dbraw/zinc/05/34/61/532053461.db2.gz FZJDRUXUUDFWMJ-LBPRGKRZSA-N 1 1 398.257 2.152 20 5 GEBDMO Cc1c(Br)cc(S(=O)(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000123977187 532111953 /nfs/dbraw/zinc/11/19/53/532111953.db2.gz FGPUCHSBVQHYHM-IUCAKERBSA-N 1 1 392.275 2.037 20 5 GEBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2cc(Cl)ccc2F)c1 ZINC000179008798 532220565 /nfs/dbraw/zinc/22/05/65/532220565.db2.gz APQADYBSGOTYAW-UHFFFAOYSA-N 1 1 387.820 2.455 20 5 GEBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000184382142 532332548 /nfs/dbraw/zinc/33/25/48/532332548.db2.gz UYHIQSDFASORHY-GFCCVEGCSA-N 1 1 399.289 2.113 20 5 GEBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@H]1CCC[C@H]1O ZINC000246532192 532540320 /nfs/dbraw/zinc/54/03/20/532540320.db2.gz KZIQZNRVMFJVKJ-QMTHXVAHSA-N 1 1 386.246 2.389 20 5 GEBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@H]1CCC[C@H]1O ZINC000246532192 532540324 /nfs/dbraw/zinc/54/03/24/532540324.db2.gz KZIQZNRVMFJVKJ-QMTHXVAHSA-N 1 1 386.246 2.389 20 5 GEBDMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccsc1 ZINC000564567188 532529582 /nfs/dbraw/zinc/52/95/82/532529582.db2.gz JKNOWTKRZXJBAE-CYBMUJFWSA-N 1 1 384.483 2.413 20 5 GEBDMO O=c1c(Br)cc([N+](=O)[O-])cn1Cc1[nH+]ccn1CC(F)(F)F ZINC000474351392 532613068 /nfs/dbraw/zinc/61/30/68/532613068.db2.gz LEAFDARWRQDUPZ-UHFFFAOYSA-N 1 1 381.108 2.326 20 5 GEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H]2c2cccc(Br)c2)c1 ZINC000378642537 532699795 /nfs/dbraw/zinc/69/97/95/532699795.db2.gz GKIMILLMEVHIPS-GJZGRUSLSA-N 1 1 381.230 2.362 20 5 GEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H]2c2cccc(Br)c2)c1 ZINC000378642537 532699798 /nfs/dbraw/zinc/69/97/98/532699798.db2.gz GKIMILLMEVHIPS-GJZGRUSLSA-N 1 1 381.230 2.362 20 5 GEBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000266197408 532706369 /nfs/dbraw/zinc/70/63/69/532706369.db2.gz IIHIFSIRQZYJBV-NSHDSACASA-N 1 1 377.413 2.369 20 5 GEBDMO C[N@H+](Cc1ccc(Br)c(F)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000494293643 532716240 /nfs/dbraw/zinc/71/62/40/532716240.db2.gz RBMAQTCLWQAEHS-GFCCVEGCSA-N 1 1 387.209 2.186 20 5 GEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000286127154 532730253 /nfs/dbraw/zinc/73/02/53/532730253.db2.gz WDHHYRLXQBXSAB-SKDRFNHKSA-N 1 1 379.841 2.348 20 5 GEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCn1cc(Br)cn1 ZINC000288991104 532844068 /nfs/dbraw/zinc/84/40/68/532844068.db2.gz ZYYQKZAULFOKSK-UHFFFAOYSA-N 1 1 396.245 2.433 20 5 GEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCn1cc(Br)cn1 ZINC000288991104 532844071 /nfs/dbraw/zinc/84/40/71/532844071.db2.gz ZYYQKZAULFOKSK-UHFFFAOYSA-N 1 1 396.245 2.433 20 5 GEBDMO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289504893 532857020 /nfs/dbraw/zinc/85/70/20/532857020.db2.gz KZPVGFOBUILNQO-HOGDKLEQSA-N 1 1 396.250 2.398 20 5 GEBDMO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289504893 532857022 /nfs/dbraw/zinc/85/70/22/532857022.db2.gz KZPVGFOBUILNQO-HOGDKLEQSA-N 1 1 396.250 2.398 20 5 GEBDMO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC000274874586 532858640 /nfs/dbraw/zinc/85/86/40/532858640.db2.gz GHVUCRUSBZOFAG-NSHDSACASA-N 1 1 384.845 2.272 20 5 GEBDMO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000736817750 598580258 /nfs/dbraw/zinc/58/02/58/598580258.db2.gz ISHGGDXQNPXZLP-KRWDZBQOSA-N 1 1 393.407 2.012 20 5 GEBDMO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000736817750 598580259 /nfs/dbraw/zinc/58/02/59/598580259.db2.gz ISHGGDXQNPXZLP-KRWDZBQOSA-N 1 1 393.407 2.012 20 5 GEBDMO O=[N+]([O-])c1ccc(OCCNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)cc1 ZINC000823644126 599548623 /nfs/dbraw/zinc/54/86/23/599548623.db2.gz GCIWIWSBPNUGNL-UHFFFAOYSA-N 1 1 377.364 2.236 20 5 GEBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826500234 607524808 /nfs/dbraw/zinc/52/48/08/607524808.db2.gz PKICYYFLKZIFJO-SFHVURJKSA-N 1 1 380.408 2.473 20 5 GEBDMO C[C@H]1C[C@@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000820667427 606719338 /nfs/dbraw/zinc/71/93/38/606719338.db2.gz MFQXYXWCUXYODM-GXTWGEPZSA-N 1 1 380.412 2.245 20 5 GEBDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824529285 608391616 /nfs/dbraw/zinc/39/16/16/608391616.db2.gz FYMXICMEYBCXHC-NWDGAFQWSA-N 1 1 381.396 2.453 20 5 GEBDMO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000824556118 608391789 /nfs/dbraw/zinc/39/17/89/608391789.db2.gz ZOFKJJHSXNSKJP-MLGOLLRUSA-N 1 1 393.407 2.231 20 5 GEBDMO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000825976569 608524670 /nfs/dbraw/zinc/52/46/70/608524670.db2.gz LTNZKVWXJYXEGF-UHFFFAOYSA-N 1 1 382.380 2.178 20 5 GEBDMO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000825976569 608524671 /nfs/dbraw/zinc/52/46/71/608524671.db2.gz LTNZKVWXJYXEGF-UHFFFAOYSA-N 1 1 382.380 2.178 20 5 GEBDMO O=C1[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477053 609600749 /nfs/dbraw/zinc/60/07/49/609600749.db2.gz UVQRYFKAIFDTOM-AWEZNQCLSA-N 1 1 399.436 2.122 20 5 GEBDMO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000467028172 650501267 /nfs/dbraw/zinc/50/12/67/650501267.db2.gz GPNRFKYEGGNDGI-UHFFFAOYSA-N 1 1 382.218 2.405 20 5 GEBDMO C[N@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1(C)C ZINC000514612098 650575088 /nfs/dbraw/zinc/57/50/88/650575088.db2.gz JOIJZLZYFVDVLV-UHFFFAOYSA-N 1 1 385.262 2.322 20 5 GEBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000525184505 650651149 /nfs/dbraw/zinc/65/11/49/650651149.db2.gz LAGJZCOTHVYIAU-LBPRGKRZSA-N 1 1 382.467 2.167 20 5 GEBDMO C[N@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000040452333 642524177 /nfs/dbraw/zinc/52/41/77/642524177.db2.gz KNFUMVOGEBTECC-SECBINFHSA-N 1 1 389.193 2.023 20 5 GEBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000066579404 642923847 /nfs/dbraw/zinc/92/38/47/642923847.db2.gz BBNJVPPASTUBJJ-UHFFFAOYSA-N 1 1 392.275 2.074 20 5 GEBDMO CC[N@H+]1CCCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000066579404 642923850 /nfs/dbraw/zinc/92/38/50/642923850.db2.gz BBNJVPPASTUBJJ-UHFFFAOYSA-N 1 1 392.275 2.074 20 5 GEBDMO O=[N+]([O-])c1cc(I)ccc1NCCC[NH+]1CCOCC1 ZINC000107797606 643262265 /nfs/dbraw/zinc/26/22/65/643262265.db2.gz KFHAQUPHMJNIFO-UHFFFAOYSA-N 1 1 391.209 2.334 20 5 GEBDMO C[N@H+]1CC[C@@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000499155844 650875194 /nfs/dbraw/zinc/87/51/94/650875194.db2.gz JQSYPHKXYVZWTP-SECBINFHSA-N 1 1 399.274 2.447 20 5 GEBDMO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000274928783 646334600 /nfs/dbraw/zinc/33/46/00/646334600.db2.gz QJURNYRPBFFDEV-LLVKDONJSA-N 1 1 384.845 2.272 20 5 GEBDMO Cc1c(Br)cc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000285989842 646863800 /nfs/dbraw/zinc/86/38/00/646863800.db2.gz YHTFPYTZQFRPRU-GJZGRUSLSA-N 1 1 398.257 2.211 20 5 GEBDMO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NCC[NH+]1CCCCC1 ZINC000330534204 647343087 /nfs/dbraw/zinc/34/30/87/647343087.db2.gz ONWMEEJVKXPOMO-UHFFFAOYSA-N 1 1 392.275 2.122 20 5 GEBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2[C@H](C1)C[N@H+]1CCCC[C@@H]21 ZINC000363258318 647589036 /nfs/dbraw/zinc/58/90/36/647589036.db2.gz FOOLMHVTUAQNFT-UBHSHLNASA-N 1 1 385.873 2.353 20 5 GEBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365542357 647675454 /nfs/dbraw/zinc/67/54/54/647675454.db2.gz ZBPPEZMYXJXDTP-SCRDCRAPSA-N 1 1 385.873 2.353 20 5 GEBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1cc([N+](=O)[O-])ccc1Br ZINC000367096877 647719984 /nfs/dbraw/zinc/71/99/84/647719984.db2.gz SUOPDPMDCCLMMA-QWHCGFSZSA-N 1 1 398.257 2.340 20 5 GEBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1cc([N+](=O)[O-])ccc1Br ZINC000367096877 647719992 /nfs/dbraw/zinc/71/99/92/647719992.db2.gz SUOPDPMDCCLMMA-QWHCGFSZSA-N 1 1 398.257 2.340 20 5 GEBDMO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[NH+]3CCC2CC3)c(Cl)cc1Cl ZINC000377834088 647867811 /nfs/dbraw/zinc/86/78/11/647867811.db2.gz IZMKSSCRPYFQOP-UHFFFAOYSA-N 1 1 380.253 2.370 20 5 GEBDMO C[N@@H+]1CC=C(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000416460917 648131927 /nfs/dbraw/zinc/13/19/27/648131927.db2.gz WUHXZZYLJDBAAH-UHFFFAOYSA-N 1 1 379.360 2.154 20 5 GEBDMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416463576 648133115 /nfs/dbraw/zinc/13/31/15/648133115.db2.gz CXTGACUJXJRQHM-UHFFFAOYSA-N 1 1 381.376 2.328 20 5 GEBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC(F)(F)C1 ZINC000420973115 648460619 /nfs/dbraw/zinc/46/06/19/648460619.db2.gz MBJNINSBVNCGRV-GFCCVEGCSA-N 1 1 377.413 2.240 20 5 GEBDMO CN(CC[NH+]1CCCC1)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000728569083 651545987 /nfs/dbraw/zinc/54/59/87/651545987.db2.gz JRHIPZZGTZJXFF-UHFFFAOYSA-N 1 1 381.376 2.420 20 5 GEBDMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000609158350 651611803 /nfs/dbraw/zinc/61/18/03/651611803.db2.gz VAXFMNVZQDFAPP-JTQLQIEISA-N 1 1 394.291 2.366 20 5 GEBDMO Cc1c(Br)cc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000610338324 651657077 /nfs/dbraw/zinc/65/70/77/651657077.db2.gz XGCWZRXJEBZVPB-JTQLQIEISA-N 1 1 392.275 2.038 20 5 GEBDMO Cc1c(Br)cc(S(=O)(=O)N[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000610338324 651657079 /nfs/dbraw/zinc/65/70/79/651657079.db2.gz XGCWZRXJEBZVPB-JTQLQIEISA-N 1 1 392.275 2.038 20 5 GEBDMO O=[N+]([O-])c1cnc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)c(Br)c1 ZINC000610512200 651666600 /nfs/dbraw/zinc/66/66/00/651666600.db2.gz LUCFHVMUNJQKEL-CYBMUJFWSA-N 1 1 385.262 2.443 20 5 GEBDMO O=[N+]([O-])c1cnc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c(Br)c1 ZINC000610512200 651666608 /nfs/dbraw/zinc/66/66/08/651666608.db2.gz LUCFHVMUNJQKEL-CYBMUJFWSA-N 1 1 385.262 2.443 20 5 GEBDMO C[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[N@H+]1C ZINC000742308940 651977991 /nfs/dbraw/zinc/97/79/91/651977991.db2.gz MNUBXNDIPXVMAX-VHSXEESVSA-N 1 1 392.275 2.118 20 5 GEBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[N@H+]1C ZINC000742308938 651978249 /nfs/dbraw/zinc/97/82/49/651978249.db2.gz MNUBXNDIPXVMAX-NXEZZACHSA-N 1 1 392.275 2.118 20 5 GEBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[N@H+]1C ZINC000742309058 651978272 /nfs/dbraw/zinc/97/82/72/651978272.db2.gz KHXKXOVNRPQLEP-ZJUUUORDSA-N 1 1 392.275 2.118 20 5 GEBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)c1 ZINC000748820408 652218722 /nfs/dbraw/zinc/21/87/22/652218722.db2.gz YVQUPDBMXXFVGA-UHFFFAOYSA-N 1 1 383.857 2.457 20 5 GEBDMO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H](O)C1CC1 ZINC000589255295 652563756 /nfs/dbraw/zinc/56/37/56/652563756.db2.gz MOOAVYHCTPAHNJ-ZDUSSCGKSA-N 1 1 376.194 2.402 20 5 GEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000600065983 652901941 /nfs/dbraw/zinc/90/19/41/652901941.db2.gz DTRLPPOECCXYQL-UHFFFAOYSA-N 1 1 398.257 2.259 20 5 GEBDMO C[C@@H](CNCc1cc(Br)c([N+](=O)[O-])s1)C[NH+]1CCN(C)CC1 ZINC000602542386 653189534 /nfs/dbraw/zinc/18/95/34/653189534.db2.gz WPFBKPZBSPKMQA-NSHDSACASA-N 1 1 391.335 2.392 20 5 GEBDMO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1Cl ZINC000809808690 653297357 /nfs/dbraw/zinc/29/73/57/653297357.db2.gz DQAPEXVLSDZKBH-RYUDHWBXSA-N 1 1 377.825 2.292 20 5 GEBDMO Cc1cc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)cc(N2CCCC2)[nH+]1 ZINC000810083530 653322548 /nfs/dbraw/zinc/32/25/48/653322548.db2.gz MWEPMIUSWRAOCA-UHFFFAOYSA-N 1 1 382.467 2.438 20 5 GEBDMO CC(C)(O)C[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000813442885 653480161 /nfs/dbraw/zinc/48/01/61/653480161.db2.gz HMJBJHKYAITKOR-UHFFFAOYSA-N 1 1 376.240 2.430 20 5 GEBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000813489504 653515202 /nfs/dbraw/zinc/51/52/02/653515202.db2.gz BWVYYMIPHHMWST-NSHDSACASA-N 1 1 376.240 2.430 20 5 GEBDMO C[C@@H]1CCC[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000780865727 653633805 /nfs/dbraw/zinc/63/38/05/653633805.db2.gz CCSIDDZLFLUSJJ-SNVBAGLBSA-N 1 1 392.275 2.120 20 5 GEBDMO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000815018573 653643942 /nfs/dbraw/zinc/64/39/42/653643942.db2.gz UGHXGZUQQSFILI-NXEZZACHSA-N 1 1 379.841 2.491 20 5 GEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815028133 653645677 /nfs/dbraw/zinc/64/56/77/653645677.db2.gz RMJSBHYEBKHOCE-GXFFZTMASA-N 1 1 391.852 2.492 20 5 GEBDMO C[N@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])C2)C1 ZINC000815065972 653649211 /nfs/dbraw/zinc/64/92/11/653649211.db2.gz UHKYRNSORCJQNX-OAHLLOKOSA-N 1 1 391.852 2.494 20 5 GEBDMO C[N@H+]1CCC[C@]2(CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)C2)C1 ZINC000815064888 653649232 /nfs/dbraw/zinc/64/92/32/653649232.db2.gz KKHVPEPMAALACR-HNNXBMFYSA-N 1 1 391.852 2.494 20 5 GEBDMO COC(=O)[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000839631230 653658506 /nfs/dbraw/zinc/65/85/06/653658506.db2.gz WFAWWGCZKPBDRB-LLVKDONJSA-N 1 1 376.240 2.438 20 5 GEBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)c1cc([N+](=O)[O-])ncc1Br ZINC000863031615 653700687 /nfs/dbraw/zinc/70/06/87/653700687.db2.gz IPKQFWHETYSAKG-NSHDSACASA-N 1 1 383.246 2.499 20 5 GEBDMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000842826351 653769809 /nfs/dbraw/zinc/76/98/09/653769809.db2.gz NONIDNZCEBUKJP-SNVBAGLBSA-N 1 1 392.275 2.120 20 5 GEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000866541128 653801331 /nfs/dbraw/zinc/80/13/31/653801331.db2.gz WTDVVFIBIJVFEZ-YGRLFVJLSA-N 1 1 382.258 2.499 20 5 GEBDMO Nc1c(Br)cc(C(=O)N2CC[NH+](CCCF)CC2)cc1[N+](=O)[O-] ZINC000823653128 653875640 /nfs/dbraw/zinc/87/56/40/653875640.db2.gz UPRXUPXIONRWJL-UHFFFAOYSA-N 1 1 389.225 2.057 20 5 GEBDMO Cc1c(Br)cc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000896553784 653884927 /nfs/dbraw/zinc/88/49/27/653884927.db2.gz VHCXJBQEPHKMQN-NHYWBVRUSA-N 1 1 399.289 2.030 20 5 GEBDMO Cc1c(Br)cc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000896553782 653885063 /nfs/dbraw/zinc/88/50/63/653885063.db2.gz VHCXJBQEPHKMQN-ABAIWWIYSA-N 1 1 399.289 2.030 20 5 GEBDMO C[C@H](NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)[C@H]1C[N@H+](C)CCO1 ZINC000897077336 653906372 /nfs/dbraw/zinc/90/63/72/653906372.db2.gz KCJDAYAMHFCQHP-OIBJUYFYSA-N 1 1 380.203 2.490 20 5 GEBDMO C[C@H](NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)[C@H]1C[N@@H+](C)CCO1 ZINC000897077336 653906373 /nfs/dbraw/zinc/90/63/73/653906373.db2.gz KCJDAYAMHFCQHP-OIBJUYFYSA-N 1 1 380.203 2.490 20 5 GEBDMO C[C@@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000794743396 653917764 /nfs/dbraw/zinc/91/77/64/653917764.db2.gz ZDSRLCYKBNUQHF-NXEZZACHSA-N 1 1 389.861 2.131 20 5 GEBDMO C[C@@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000794743403 653918057 /nfs/dbraw/zinc/91/80/57/653918057.db2.gz ZDSRLCYKBNUQHF-ZJUUUORDSA-N 1 1 389.861 2.131 20 5 GEBDMO 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 653999110 /nfs/dbraw/zinc/99/91/10/653999110.db2.gz CWRSHOCPEZCGIY-IYBDPMFKSA-N 1 1 397.273 2.353 20 5 GEBDMO C[C@@H]1CN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000802979422 654253617 /nfs/dbraw/zinc/25/36/17/654253617.db2.gz YNCKWLBUPWCJOS-NEPJUHHUSA-N 1 1 399.289 2.345 20 5 GEBDMO O=C1CC2(CCOCC2)[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CCN1 ZINC000872285373 654321830 /nfs/dbraw/zinc/32/18/30/654321830.db2.gz PYQCHLDHVNYUMU-UHFFFAOYSA-N 1 1 398.257 2.228 20 5 GEBDMO O=C1CC2(CCOCC2)[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CCN1 ZINC000872285373 654321835 /nfs/dbraw/zinc/32/18/35/654321835.db2.gz PYQCHLDHVNYUMU-UHFFFAOYSA-N 1 1 398.257 2.228 20 5 GEBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2cccc(Br)c2[N+](=O)[O-])C1 ZINC000856728093 654487034 /nfs/dbraw/zinc/48/70/34/654487034.db2.gz JOHRWDGAHPPYAW-NSHDSACASA-N 1 1 385.262 2.357 20 5 GEBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856738105 654488945 /nfs/dbraw/zinc/48/89/45/654488945.db2.gz SFAKNXRBEIEWDB-AWEZNQCLSA-N 1 1 397.273 2.276 20 5 GEBDMO COCC(COC)[NH+]1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856766274 654493423 /nfs/dbraw/zinc/49/34/23/654493423.db2.gz ZBZUQTFHQYTMCO-UHFFFAOYSA-N 1 1 388.262 2.141 20 5 GEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2c2cncc(Br)c2)c1 ZINC000932249915 654772249 /nfs/dbraw/zinc/77/22/49/654772249.db2.gz HBYPAZOUKNLYAF-GJZGRUSLSA-N 1 1 396.245 2.147 20 5 GEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H]2c2cncc(Br)c2)c1 ZINC000932249915 654772251 /nfs/dbraw/zinc/77/22/51/654772251.db2.gz HBYPAZOUKNLYAF-GJZGRUSLSA-N 1 1 396.245 2.147 20 5 GEBDMO O=[N+]([O-])c1cc[n+]([O-])c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164702823 719886650 /nfs/dbraw/zinc/88/66/50/719886650.db2.gz RDHPWOSHQNVNGW-UHFFFAOYSA-N 1 1 390.465 2.161 20 5 GEBDMO O=[N+]([O-])c1cc[n+]([O-])c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164702823 719886651 /nfs/dbraw/zinc/88/66/51/719886651.db2.gz RDHPWOSHQNVNGW-UHFFFAOYSA-N 1 1 390.465 2.161 20 5 GEBDMO COC(=O)c1ccnc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164726557 720396284 /nfs/dbraw/zinc/39/62/84/720396284.db2.gz PNAWBUYDJHNMEA-HOTGVXAUSA-N 1 1 383.408 2.025 20 5 GEBDMO O=[N+]([O-])c1ccc2ccnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164746379 720746783 /nfs/dbraw/zinc/74/67/83/720746783.db2.gz XSNDYZLFGXYOEY-DLBZAZTESA-N 1 1 392.419 2.275 20 5 GEBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164751929 720803715 /nfs/dbraw/zinc/80/37/15/720803715.db2.gz YDFUYZZAGUPLKR-SJORKVTESA-N 1 1 392.419 2.275 20 5 GEBDMO COc1nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)ncc1[N+](=O)[O-] ZINC001164856762 720919604 /nfs/dbraw/zinc/91/96/04/720919604.db2.gz KTIFGRNOXIJTFO-LBPRGKRZSA-N 1 1 375.433 2.011 20 5 GEBDMO COc1cc(C)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164864043 721080074 /nfs/dbraw/zinc/08/00/74/721080074.db2.gz DQLQMKIEWXHFJA-IRXDYDNUSA-N 1 1 399.451 2.182 20 5 GEBDMO COc1cc(C)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164864041 721081048 /nfs/dbraw/zinc/08/10/48/721081048.db2.gz DQLQMKIEWXHFJA-IAGOWNOFSA-N 1 1 399.451 2.182 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(Cl)ncc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164761588 721090251 /nfs/dbraw/zinc/09/02/51/721090251.db2.gz CAZFBSAKTFYWKA-UONOGXRCSA-N 1 1 376.848 2.335 20 5 GEBDMO Cc1c(C)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164864085 721099599 /nfs/dbraw/zinc/09/95/99/721099599.db2.gz DZLGFSDOCCKTIE-QZTJIDSGSA-N 1 1 383.452 2.481 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(Cl)cc([N+](=O)[O-])n4)C[C@H]3C2)cn1 ZINC001164761712 721110381 /nfs/dbraw/zinc/11/03/81/721110381.db2.gz APLHYQJOQFLDSU-UONOGXRCSA-N 1 1 376.848 2.335 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc5cc([N+](=O)[O-])ccc54)C[C@@H]3C2)cn1 ZINC001164773734 721119104 /nfs/dbraw/zinc/11/91/04/721119104.db2.gz YVLOBFFTCLBYMS-CVEARBPZSA-N 1 1 393.451 2.230 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc([N+](=O)[O-])c5cc[nH]c5n4)C[C@H]3C2)cn1 ZINC001164771832 721169826 /nfs/dbraw/zinc/16/98/26/721169826.db2.gz RCESHAQWMWMFDE-HUUCEWRRSA-N 1 1 381.440 2.163 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc5cccc([N+](=O)[O-])c54)C[C@@H]3C2)cn1 ZINC001164763867 721232219 /nfs/dbraw/zinc/23/22/19/721232219.db2.gz NJLKGRYFRGSNJR-HOTGVXAUSA-N 1 1 393.451 2.230 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc5cccc([N+](=O)[O-])c54)C[C@H]3C2)cn1 ZINC001164763869 721232834 /nfs/dbraw/zinc/23/28/34/721232834.db2.gz NJLKGRYFRGSNJR-JKSUJKDBSA-N 1 1 393.451 2.230 20 5 GEBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164906377 721543382 /nfs/dbraw/zinc/54/33/82/721543382.db2.gz KHIUHQDZXBOJAX-DOTOQJQBSA-N 1 1 388.399 2.018 20 5 GEBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164906379 721543595 /nfs/dbraw/zinc/54/35/95/721543595.db2.gz KHIUHQDZXBOJAX-RDJZCZTQSA-N 1 1 388.399 2.018 20 5 GEBDMO COc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC001164807195 721549892 /nfs/dbraw/zinc/54/98/92/721549892.db2.gz QFFCPRKFTBDMAT-WDSOQIARSA-N 1 1 399.451 2.262 20 5 GEBDMO COc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC001164807195 721549897 /nfs/dbraw/zinc/54/98/97/721549897.db2.gz QFFCPRKFTBDMAT-WDSOQIARSA-N 1 1 399.451 2.262 20 5 GEBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164965360 722068433 /nfs/dbraw/zinc/06/84/33/722068433.db2.gz JSELDUYDJMQVHQ-PHIMTYICSA-N 1 1 385.877 2.060 20 5 GEBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164965360 722068436 /nfs/dbraw/zinc/06/84/36/722068436.db2.gz JSELDUYDJMQVHQ-PHIMTYICSA-N 1 1 385.877 2.060 20 5 GEBDMO Cc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164977275 722100962 /nfs/dbraw/zinc/10/09/62/722100962.db2.gz FQBUPWSUFYULQE-HKUYNNGSSA-N 1 1 383.452 2.421 20 5 GEBDMO Cc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164984094 722101615 /nfs/dbraw/zinc/10/16/15/722101615.db2.gz RRQYNQMAVRZHJQ-HKUYNNGSSA-N 1 1 383.452 2.421 20 5 GEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000120613033 531986321 /nfs/dbraw/zinc/98/63/21/531986321.db2.gz YZHQAMYSSHURBB-ZDUSSCGKSA-N 1 1 386.246 2.198 20 5 GEBDMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000122294627 532063672 /nfs/dbraw/zinc/06/36/72/532063672.db2.gz IPKSWOLHFQPMNX-LBPRGKRZSA-N 1 1 398.257 2.152 20 5 GEBDMO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccnc1Cl ZINC000180941433 532286251 /nfs/dbraw/zinc/28/62/51/532286251.db2.gz NSVMPJUIVHVKLQ-NSHDSACASA-N 1 1 384.845 2.272 20 5 GEBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC(C[NH+]2CCOCC2)C1 ZINC000590558127 532375526 /nfs/dbraw/zinc/37/55/26/532375526.db2.gz ODFJOGLDYJXKGW-UHFFFAOYSA-N 1 1 385.873 2.131 20 5 GEBDMO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000295104788 532404694 /nfs/dbraw/zinc/40/46/94/532404694.db2.gz UCGHMGMLDDBXLC-OAHLLOKOSA-N 1 1 387.230 2.369 20 5 GEBDMO COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000295104788 532404699 /nfs/dbraw/zinc/40/46/99/532404699.db2.gz UCGHMGMLDDBXLC-OAHLLOKOSA-N 1 1 387.230 2.369 20 5 GEBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431037169 532504918 /nfs/dbraw/zinc/50/49/18/532504918.db2.gz MACSLOGYVRZUMI-LLVKDONJSA-N 1 1 386.246 2.198 20 5 GEBDMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597695122 532624793 /nfs/dbraw/zinc/62/47/93/532624793.db2.gz QKZNCBUOIOFMKN-LSDHHAIUSA-N 1 1 398.257 2.293 20 5 GEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H]2c2cccc(Br)c2)c1 ZINC000378642536 532700352 /nfs/dbraw/zinc/70/03/52/532700352.db2.gz GKIMILLMEVHIPS-CABCVRRESA-N 1 1 381.230 2.362 20 5 GEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H]2c2cccc(Br)c2)c1 ZINC000378642536 532700357 /nfs/dbraw/zinc/70/03/57/532700357.db2.gz GKIMILLMEVHIPS-CABCVRRESA-N 1 1 381.230 2.362 20 5 GEBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000378290795 532689884 /nfs/dbraw/zinc/68/98/84/532689884.db2.gz YRUPCXFQMQXAQZ-VXGBXAGGSA-N 1 1 399.245 2.342 20 5 GEBDMO COCC[NH+](CCOC)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000579530656 532741508 /nfs/dbraw/zinc/74/15/08/532741508.db2.gz HKNRRFCTUMJQFQ-UHFFFAOYSA-N 1 1 394.209 2.294 20 5 GEBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000301153787 532741599 /nfs/dbraw/zinc/74/15/99/532741599.db2.gz FEWIJASRULPJFQ-LLVKDONJSA-N 1 1 385.262 2.357 20 5 GEBDMO COC(=O)CC[N@@H+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000301976170 532763219 /nfs/dbraw/zinc/76/32/19/532763219.db2.gz CGACHALUWQARCD-NSHDSACASA-N 1 1 386.246 2.431 20 5 GEBDMO COC(=O)CC[N@H+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000301976170 532763227 /nfs/dbraw/zinc/76/32/27/532763227.db2.gz CGACHALUWQARCD-NSHDSACASA-N 1 1 386.246 2.431 20 5 GEBDMO O=[N+]([O-])c1cc(I)ccc1NCC[N@H+]1CCCOCC1 ZINC000302505696 532770785 /nfs/dbraw/zinc/77/07/85/532770785.db2.gz QIYFITCRQLEMJX-UHFFFAOYSA-N 1 1 391.209 2.334 20 5 GEBDMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000331197336 532835789 /nfs/dbraw/zinc/83/57/89/532835789.db2.gz YVCXOEZAKPPGAD-LLVKDONJSA-N 1 1 392.275 2.120 20 5 GEBDMO C[N@@H+]1CC=C(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000273986665 532838888 /nfs/dbraw/zinc/83/88/88/532838888.db2.gz RFFLHPSJRNVAHI-UHFFFAOYSA-N 1 1 379.360 2.154 20 5 GEBDMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000274704447 532854463 /nfs/dbraw/zinc/85/44/63/532854463.db2.gz ZKFVFHKBYXPDOI-UHFFFAOYSA-N 1 1 392.275 2.072 20 5 GEBDMO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000289548005 532858890 /nfs/dbraw/zinc/85/88/90/532858890.db2.gz RSNKLPGTWKRWDM-VIFPVBQESA-N 1 1 377.825 2.150 20 5 GEBDMO C[C@@H]1[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000416459439 532878252 /nfs/dbraw/zinc/87/82/52/532878252.db2.gz SODSABUCJOKCII-MWLCHTKSSA-N 1 1 381.376 2.375 20 5 GEBDMO C[C@@H]1[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC[N@H+]1C ZINC000416459439 532878254 /nfs/dbraw/zinc/87/82/54/532878254.db2.gz SODSABUCJOKCII-MWLCHTKSSA-N 1 1 381.376 2.375 20 5 GEBDMO C[N@@H+](C[C@H](O)COc1ccc(I)cc1[N+](=O)[O-])C1CC1 ZINC000290512329 532882507 /nfs/dbraw/zinc/88/25/07/532882507.db2.gz BQAMOWYAHSOWDM-NSHDSACASA-N 1 1 392.193 2.033 20 5 GEBDMO O=[N+]([O-])c1nn(Cc2cccc(C[NH+]3CCOCC3)c2)cc1Br ZINC000421847230 532890797 /nfs/dbraw/zinc/89/07/97/532890797.db2.gz WOAYFMHYIGVROA-UHFFFAOYSA-N 1 1 381.230 2.434 20 5 GEBDMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000369553372 532939992 /nfs/dbraw/zinc/93/99/92/532939992.db2.gz MCYVVINMGQYKNE-CABCVRRESA-N 1 1 398.257 2.029 20 5 GEBDMO O=[N+]([O-])c1cc(Br)ccc1N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369347966 532938572 /nfs/dbraw/zinc/93/85/72/532938572.db2.gz RCHNVFRPMPYBIJ-AWEZNQCLSA-N 1 1 399.289 2.176 20 5 GEBDMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000822449763 607306072 /nfs/dbraw/zinc/30/60/72/607306072.db2.gz NSKYMITZDBMOND-UHFFFAOYSA-N 1 1 382.384 2.059 20 5 GEBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736204944 598498556 /nfs/dbraw/zinc/49/85/56/598498556.db2.gz UNNSPAKOIATMQY-OCCSQVGLSA-N 1 1 380.412 2.417 20 5 GEBDMO CC(C)[N@H+]1C[C@H](C)[C@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820751708 606806051 /nfs/dbraw/zinc/80/60/51/606806051.db2.gz HQYYVGUUUWWKRB-MEDUHNTESA-N 1 1 382.428 2.464 20 5 GEBDMO C[C@H]([NH2+][C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000824553841 608391559 /nfs/dbraw/zinc/39/15/59/608391559.db2.gz IUYMPYOZBFQMEQ-GWCFXTLKSA-N 1 1 399.436 2.293 20 5 GEBDMO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824529288 608391752 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/nfs/dbraw/zinc/91/09/71/653910971.db2.gz BSYMBRWPOZYHIL-NEPJUHHUSA-N 1 1 385.262 2.096 20 5 GEBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ncc1Br ZINC000848352538 653971909 /nfs/dbraw/zinc/97/19/09/653971909.db2.gz QOCLOFDDSPCVEF-QWHCGFSZSA-N 1 1 383.246 2.499 20 5 GEBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000828510138 654038922 /nfs/dbraw/zinc/03/89/22/654038922.db2.gz GYIYYQGDGLHLSA-JOYOIKCWSA-N 1 1 383.246 2.106 20 5 GEBDMO C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000900812091 654082148 /nfs/dbraw/zinc/08/21/48/654082148.db2.gz RHHMPABZMKZIKE-FZMZJTMJSA-N 1 1 386.905 2.091 20 5 GEBDMO CN1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC[N@H+](C)CC1 ZINC000888980629 654118118 /nfs/dbraw/zinc/11/81/18/654118118.db2.gz JTKHMXCMNSGYFH-UHFFFAOYSA-N 1 1 393.246 2.360 20 5 GEBDMO CN1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC[N@@H+](C)CC1 ZINC000888980629 654118121 /nfs/dbraw/zinc/11/81/21/654118121.db2.gz 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Cn1cc[nH+]c1N1CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000930061335 654698442 /nfs/dbraw/zinc/69/84/42/654698442.db2.gz LBXWLFTVYOTINY-UHFFFAOYSA-N 1 1 380.246 2.413 20 5 GEBDMO O=[N+]([O-])c1cccc(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1Br ZINC000934276641 654842760 /nfs/dbraw/zinc/84/27/60/654842760.db2.gz ZGCGIQYCRSAUIU-KBPBESRZSA-N 1 1 384.274 2.388 20 5 GEBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737891 720731386 /nfs/dbraw/zinc/73/13/86/720731386.db2.gz DIZGMCIJJUUULC-CVEARBPZSA-N 1 1 392.419 2.275 20 5 GEBDMO Cc1nc(Cl)nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164762978 721074730 /nfs/dbraw/zinc/07/47/30/721074730.db2.gz FPWLKYRFSUWYRB-UONOGXRCSA-N 1 1 391.863 2.038 20 5 GEBDMO Cc1ccnc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1[N+](=O)[O-] ZINC001164892256 721393359 /nfs/dbraw/zinc/39/33/59/721393359.db2.gz SKEVJBARBNKJDW-YLJYHZDGSA-N 1 1 389.500 2.064 20 5 GEBDMO CCOc1nc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164784858 721420188 /nfs/dbraw/zinc/42/01/88/721420188.db2.gz LRWNQHBJJCGCSQ-STQMWFEESA-N 1 1 375.454 2.413 20 5 GEBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC001165045582 721957760 /nfs/dbraw/zinc/95/77/60/721957760.db2.gz ZTLGHHDAIVEEKV-UHFFFAOYSA-N 1 1 378.816 2.083 20 5 GEBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@@H]1CCC[C@@H]1O ZINC000159531566 531784977 /nfs/dbraw/zinc/78/49/77/531784977.db2.gz KZIQZNRVMFJVKJ-HZMBPMFUSA-N 1 1 386.246 2.389 20 5 GEBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@@H]1CCC[C@@H]1O ZINC000159531566 531784989 /nfs/dbraw/zinc/78/49/89/531784989.db2.gz KZIQZNRVMFJVKJ-HZMBPMFUSA-N 1 1 386.246 2.389 20 5 GEBDMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000162163941 531835201 /nfs/dbraw/zinc/83/52/01/531835201.db2.gz DTYYKJIPPOVIDG-NSHDSACASA-N 1 1 392.275 2.120 20 5 GEBDMO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccnc1Cl 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SVWGMZHAXAFHOU-AWEZNQCLSA-N 1 1 398.305 2.359 20 5 GEBDMO CN1CC[NH+]([C@@H]2CCCCN(c3ncc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000127053325 643757513 /nfs/dbraw/zinc/75/75/13/643757513.db2.gz SVWGMZHAXAFHOU-CQSZACIVSA-N 1 1 398.305 2.359 20 5 GEBDMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000131193600 643867608 /nfs/dbraw/zinc/86/76/08/643867608.db2.gz HXFUJHTUUOUZGJ-JTQLQIEISA-N 1 1 394.291 2.366 20 5 GEBDMO Cc1c(Br)c(N(C)CCC[NH+]2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000543436150 650911829 /nfs/dbraw/zinc/91/18/29/650911829.db2.gz LAJVSODXEFODAZ-UHFFFAOYSA-N 1 1 386.294 2.134 20 5 GEBDMO CC(C)c1cnc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000183559000 644997591 /nfs/dbraw/zinc/99/75/91/644997591.db2.gz GQHSAMBSSGWMIB-UHFFFAOYSA-N 1 1 384.483 2.243 20 5 GEBDMO COCC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000265834583 645805735 /nfs/dbraw/zinc/80/57/35/645805735.db2.gz UAZNLXAEKXZLRQ-UHFFFAOYSA-N 1 1 386.246 2.152 20 5 GEBDMO CC[N@H+](Cc1ccccc1Br)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266536740 645848208 /nfs/dbraw/zinc/84/82/08/645848208.db2.gz OQMFZFGWFVFTOV-AWEZNQCLSA-N 1 1 383.246 2.437 20 5 GEBDMO C[NH+](C)[C@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000272453592 646274390 /nfs/dbraw/zinc/27/43/90/646274390.db2.gz KEGAXNLILFIKHF-MRXNPFEDSA-N 1 1 383.495 2.421 20 5 GEBDMO CC(C)[NH+]1CC(NC(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000278775064 646548262 /nfs/dbraw/zinc/54/82/62/646548262.db2.gz YLKLBLRNJMXESA-UHFFFAOYSA-N 1 1 389.193 2.022 20 5 GEBDMO C[N@H+]1CCN(CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1(C)C ZINC000281650325 646785688 /nfs/dbraw/zinc/78/56/88/646785688.db2.gz BJVVHIGIOZGFFR-UHFFFAOYSA-N 1 1 399.289 2.113 20 5 GEBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1cc([N+](=O)[O-])ccc1Br ZINC000367096878 647719903 /nfs/dbraw/zinc/71/99/03/647719903.db2.gz SUOPDPMDCCLMMA-STQMWFEESA-N 1 1 398.257 2.340 20 5 GEBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1cc([N+](=O)[O-])ccc1Br ZINC000367096878 647719910 /nfs/dbraw/zinc/71/99/10/647719910.db2.gz SUOPDPMDCCLMMA-STQMWFEESA-N 1 1 398.257 2.340 20 5 GEBDMO C[NH+](C)C1(CNCc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000418119793 648282453 /nfs/dbraw/zinc/28/24/53/648282453.db2.gz YNRPGHZQKOMCMV-UHFFFAOYSA-N 1 1 375.210 2.383 20 5 GEBDMO Cc1nc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)s1 ZINC000611335988 651720541 /nfs/dbraw/zinc/72/05/41/651720541.db2.gz CANPVGQRTLDXBP-JTQLQIEISA-N 1 1 384.483 2.297 20 5 GEBDMO CSC1(C[NH+]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCC1 ZINC000577669032 652205247 /nfs/dbraw/zinc/20/52/47/652205247.db2.gz DEDYMODDGJYSJY-UHFFFAOYSA-N 1 1 385.511 2.187 20 5 GEBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588864055 652557168 /nfs/dbraw/zinc/55/71/68/652557168.db2.gz YMCDTXSHJHDKST-QWHCGFSZSA-N 1 1 385.873 2.008 20 5 GEBDMO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593508549 652623363 /nfs/dbraw/zinc/62/33/63/652623363.db2.gz RSYNTFPIIBNFRL-GFCCVEGCSA-N 1 1 393.241 2.161 20 5 GEBDMO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593508549 652623366 /nfs/dbraw/zinc/62/33/66/652623366.db2.gz RSYNTFPIIBNFRL-GFCCVEGCSA-N 1 1 393.241 2.161 20 5 GEBDMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC([NH+]2CCOCC2)CC1 ZINC000600105125 652904211 /nfs/dbraw/zinc/90/42/11/652904211.db2.gz GWYQZXYHKQOXSZ-UHFFFAOYSA-N 1 1 398.257 2.294 20 5 GEBDMO O=[N+]([O-])c1sc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)cc1Br ZINC000602604931 653193998 /nfs/dbraw/zinc/19/39/98/653193998.db2.gz RPAFABYNAREIKO-VIFPVBQESA-N 1 1 383.289 2.476 20 5 GEBDMO O=[N+]([O-])c1sc(C[NH2+]CCS(=O)(=O)CC2CC2)cc1Br ZINC000877109795 653466482 /nfs/dbraw/zinc/46/64/82/653466482.db2.gz GUWTUTIEDBJWNT-UHFFFAOYSA-N 1 1 383.289 2.333 20 5 GEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815014112 653643628 /nfs/dbraw/zinc/64/36/28/653643628.db2.gz WQRWAYFFUMGFKD-JTQLQIEISA-N 1 1 379.841 2.350 20 5 GEBDMO C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000815024901 653645109 /nfs/dbraw/zinc/64/51/09/653645109.db2.gz ORLNEDGQVZNCDD-MFKMUULPSA-N 1 1 391.852 2.492 20 5 GEBDMO C[N@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])C2)C1 ZINC000815049310 653648164 /nfs/dbraw/zinc/64/81/64/653648164.db2.gz YTSUGLMHFYPRDS-CQSZACIVSA-N 1 1 377.825 2.104 20 5 GEBDMO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000817150611 653704455 /nfs/dbraw/zinc/70/44/55/653704455.db2.gz MEBFJQMIFNMUDC-SNVBAGLBSA-N 1 1 392.275 2.072 20 5 GEBDMO C[N@H+]1CC[C@@H]2CN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866205490 653788798 /nfs/dbraw/zinc/78/87/98/653788798.db2.gz MRKMLRUVDGDQLS-PWSUYJOCSA-N 1 1 375.397 2.122 20 5 GEBDMO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000883416060 653839521 /nfs/dbraw/zinc/83/95/21/653839521.db2.gz KUEUCGPKDLWXEY-GFCCVEGCSA-N 1 1 383.246 2.393 20 5 GEBDMO CN(CC[NH+]1CCCCC1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000846034635 653883830 /nfs/dbraw/zinc/88/38/30/653883830.db2.gz DPQYECYXIWEAEL-UHFFFAOYSA-N 1 1 379.841 2.494 20 5 GEBDMO Cc1c(Br)cc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000896553783 653885008 /nfs/dbraw/zinc/88/50/08/653885008.db2.gz VHCXJBQEPHKMQN-IAQYHMDHSA-N 1 1 399.289 2.030 20 5 GEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000827233654 653982139 /nfs/dbraw/zinc/98/21/39/653982139.db2.gz QWBHKRJWXDBFEN-TZMCWYRMSA-N 1 1 382.258 2.452 20 5 GEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000868451021 654037023 /nfs/dbraw/zinc/03/70/23/654037023.db2.gz INNXHIKZHGCSHY-OLZOCXBDSA-N 1 1 382.258 2.310 20 5 GEBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856735999 654488563 /nfs/dbraw/zinc/48/85/63/654488563.db2.gz KDZYVNGOGFOOMF-AWEZNQCLSA-N 1 1 397.273 2.100 20 5 GEBDMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)C[C@]2(C)C1 ZINC000907566046 654558673 /nfs/dbraw/zinc/55/86/73/654558673.db2.gz VYNXPOXPQAGLKP-OTYXRUKQSA-N 1 1 394.280 2.474 20 5 GEBDMO COC1(OC)CCOC[C@@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000931676314 654753073 /nfs/dbraw/zinc/75/30/73/654753073.db2.gz VDBVLQHPEFFXDN-ZDUSSCGKSA-N 1 1 375.219 2.225 20 5 GEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2c2cncc(Br)c2)c1 ZINC000932249909 654772290 /nfs/dbraw/zinc/77/22/90/654772290.db2.gz HBYPAZOUKNLYAF-CABCVRRESA-N 1 1 396.245 2.147 20 5 GEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]2c2cncc(Br)c2)c1 ZINC000932249909 654772293 /nfs/dbraw/zinc/77/22/93/654772293.db2.gz HBYPAZOUKNLYAF-CABCVRRESA-N 1 1 396.245 2.147 20 5 GEBDMO O=[N+]([O-])c1cccc(Br)c1CN1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934275289 654842714 /nfs/dbraw/zinc/84/27/14/654842714.db2.gz OIYNRVXTQFNLRT-CVEARBPZSA-N 1 1 384.274 2.388 20 5 GEBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)CC2 ZINC001164682541 719715302 /nfs/dbraw/zinc/71/53/02/719715302.db2.gz FOGZZKQEJNUVHJ-UHFFFAOYSA-N 1 1 383.452 2.324 20 5 GEBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc([N+](=O)[O-])cc3N)CC[C@@H]21 ZINC001164835958 720595975 /nfs/dbraw/zinc/59/59/75/720595975.db2.gz DAJCJQMMDRPRBA-ZVZYQTTQSA-N 1 1 385.472 2.146 20 5 GEBDMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc4cccc([N+](=O)[O-])c4n3)CC[C@H]2C1 ZINC001164851843 720852033 /nfs/dbraw/zinc/85/20/33/720852033.db2.gz IDQNWBWMSRFQIL-FUHWJXTLSA-N 1 1 386.452 2.317 20 5 GEBDMO COCC[N@H+]1CCO[C@H]2CN(c3nccc4ccc([N+](=O)[O-])cc43)CC[C@@H]2C1 ZINC001164854302 720870358 /nfs/dbraw/zinc/87/03/58/720870358.db2.gz JGIYBQLSEKNEFW-APWZRJJASA-N 1 1 386.452 2.317 20 5 GEBDMO COc1cc(C)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164864044 721080126 /nfs/dbraw/zinc/08/01/26/721080126.db2.gz DQLQMKIEWXHFJA-SJORKVTESA-N 1 1 399.451 2.182 20 5 GEBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164764268 721090575 /nfs/dbraw/zinc/09/05/75/721090575.db2.gz HCWQTRJGSAVCQD-KGLIPLIRSA-N 1 1 391.863 2.038 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc([N+](=O)[O-])c5cc[nH]c5n4)C[C@@H]3C2)cn1 ZINC001164771830 721170055 /nfs/dbraw/zinc/17/00/55/721170055.db2.gz RCESHAQWMWMFDE-CABCVRRESA-N 1 1 381.440 2.163 20 5 GEBDMO Cc1nc(Cl)nc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164787686 721390664 /nfs/dbraw/zinc/39/06/64/721390664.db2.gz QVSLAFDZTQAJLS-GHMZBOCLSA-N 1 1 380.861 2.371 20 5 GEBDMO COc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ncc1[N+](=O)[O-] ZINC001164801557 721547609 /nfs/dbraw/zinc/54/76/09/721547609.db2.gz FPYMCEUMBACESQ-OXFYSEKESA-N 1 1 399.451 2.262 20 5 GEBDMO COc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ncc1[N+](=O)[O-] ZINC001164801557 721547613 /nfs/dbraw/zinc/54/76/13/721547613.db2.gz FPYMCEUMBACESQ-OXFYSEKESA-N 1 1 399.451 2.262 20 5 GEBDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001164934371 721877542 /nfs/dbraw/zinc/87/75/42/721877542.db2.gz QVBGUXCPQHQVKE-RBUKOAKNSA-N 1 1 382.468 2.266 20 5 GEBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001164934371 721877544 /nfs/dbraw/zinc/87/75/44/721877544.db2.gz QVBGUXCPQHQVKE-RBUKOAKNSA-N 1 1 382.468 2.266 20 5 GEBDMO C[N@H+](Cc1csc(Br)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174752371 532076956 /nfs/dbraw/zinc/07/69/56/532076956.db2.gz GBVFVTUESHWLSY-NSHDSACASA-N 1 1 375.248 2.108 20 5 GEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(C(F)(F)F)c1 ZINC000124692875 532127926 /nfs/dbraw/zinc/12/79/26/532127926.db2.gz LVKDOOWQXVOEDL-AOOOYVTPSA-N 1 1 379.360 2.129 20 5 GEBDMO O=C(CN1CC[NH+](C2CC2)CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000126071170 532145387 /nfs/dbraw/zinc/14/53/87/532145387.db2.gz UPBFFTJJRBVFQV-UHFFFAOYSA-N 1 1 383.246 2.076 20 5 GEBDMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000185234836 532337343 /nfs/dbraw/zinc/33/73/43/532337343.db2.gz UFJZHYOWGSAIBG-UHFFFAOYSA-N 1 1 392.275 2.072 20 5 GEBDMO NC(=O)c1ccc(C[NH2+][C@H](CO)c2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000183897112 532329862 /nfs/dbraw/zinc/32/98/62/532329862.db2.gz BATXQIVDLYBCJS-CQSZACIVSA-N 1 1 394.225 2.279 20 5 GEBDMO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)c1 ZINC000183916416 532330110 /nfs/dbraw/zinc/33/01/10/532330110.db2.gz LWWPEDFKOFXKSD-UHFFFAOYSA-N 1 1 382.211 2.469 20 5 GEBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000184390726 532332490 /nfs/dbraw/zinc/33/24/90/532332490.db2.gz QRNXNNHPFMUANR-GFCCVEGCSA-N 1 1 399.289 2.113 20 5 GEBDMO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000277995423 532368648 /nfs/dbraw/zinc/36/86/48/532368648.db2.gz UVQGPZNPACRSQR-GFCCVEGCSA-N 1 1 391.877 2.027 20 5 GEBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@@H]1CCC[C@H]1O ZINC000246532178 532540578 /nfs/dbraw/zinc/54/05/78/532540578.db2.gz KZIQZNRVMFJVKJ-IINYFYTJSA-N 1 1 386.246 2.389 20 5 GEBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@@H]1CCC[C@H]1O ZINC000246532178 532540585 /nfs/dbraw/zinc/54/05/85/532540585.db2.gz KZIQZNRVMFJVKJ-IINYFYTJSA-N 1 1 386.246 2.389 20 5 GEBDMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000597693121 532624864 /nfs/dbraw/zinc/62/48/64/532624864.db2.gz BFBQLIFHXVAPMX-HUUCEWRRSA-N 1 1 398.257 2.293 20 5 GEBDMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597695121 532624867 /nfs/dbraw/zinc/62/48/67/532624867.db2.gz QKZNCBUOIOFMKN-HUUCEWRRSA-N 1 1 398.257 2.293 20 5 GEBDMO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000599827687 532669158 /nfs/dbraw/zinc/66/91/58/532669158.db2.gz ZGXKQMXNWIEQMY-UHFFFAOYSA-N 1 1 380.202 2.043 20 5 GEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H](O)c1cccc(Br)c1 ZINC000298473246 532652733 /nfs/dbraw/zinc/65/27/33/532652733.db2.gz SJTYMYLRFOUEGN-HNNXBMFYSA-N 1 1 396.241 2.184 20 5 GEBDMO C[C@@H]1COCC[N@H+]1C1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000603401218 532693913 /nfs/dbraw/zinc/69/39/13/532693913.db2.gz JOQOESMSZKRLBN-LLVKDONJSA-N 1 1 385.262 2.442 20 5 GEBDMO C[C@H]1COCC[N@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000603402089 532694620 /nfs/dbraw/zinc/69/46/20/532694620.db2.gz MFPICBZJLSMADP-NSHDSACASA-N 1 1 385.262 2.442 20 5 GEBDMO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1I)C1CC1 ZINC000299678035 532734893 /nfs/dbraw/zinc/73/48/93/532734893.db2.gz QZGZDTHRDBZKSP-UHFFFAOYSA-N 1 1 389.193 2.023 20 5 GEBDMO C[C@H]1C[N@H+](C2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)CCO1 ZINC000301629781 532756254 /nfs/dbraw/zinc/75/62/54/532756254.db2.gz AZXPFMUTLVSXJE-NSHDSACASA-N 1 1 385.262 2.442 20 5 GEBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000359974496 212128689 /nfs/dbraw/zinc/12/86/89/212128689.db2.gz OXHQZHBTZVUOBL-UXHICEINSA-N 1 1 394.431 2.375 20 5 GEBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000416408197 532876471 /nfs/dbraw/zinc/87/64/71/532876471.db2.gz OOSBHBWKQZCIAH-MWLCHTKSSA-N 1 1 381.376 2.375 20 5 GEBDMO C[C@H]1[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000416459437 532878213 /nfs/dbraw/zinc/87/82/13/532878213.db2.gz SODSABUCJOKCII-GXSJLCMTSA-N 1 1 381.376 2.375 20 5 GEBDMO C[C@H]1[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC[N@H+]1C ZINC000416459437 532878216 /nfs/dbraw/zinc/87/82/16/532878216.db2.gz SODSABUCJOKCII-GXSJLCMTSA-N 1 1 381.376 2.375 20 5 GEBDMO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000290759382 532888597 /nfs/dbraw/zinc/88/85/97/532888597.db2.gz NJKBXFZCCOUAEK-NXEZZACHSA-N 1 1 379.841 2.491 20 5 GEBDMO C[NH+]1CCN(C[C@@H]2CCCN(c3ncc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000361812102 532894477 /nfs/dbraw/zinc/89/44/77/532894477.db2.gz JHNMJVDDBWLKSL-ZDUSSCGKSA-N 1 1 398.305 2.216 20 5 GEBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000371696835 532949386 /nfs/dbraw/zinc/94/93/86/532949386.db2.gz QGJUMGMIXLFSCP-STQMWFEESA-N 1 1 385.873 2.320 20 5 GEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000820570535 599365363 /nfs/dbraw/zinc/36/53/63/599365363.db2.gz LXUYFAHIYVLQOW-CYBMUJFWSA-N 1 1 380.412 2.053 20 5 GEBDMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1c1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821625257 599538679 /nfs/dbraw/zinc/53/86/79/599538679.db2.gz JJDYSTJIMSSSHG-IRXDYDNUSA-N 1 1 394.439 2.386 20 5 GEBDMO Cc1[nH+]ccn1CCCN(C)c1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826330791 607563766 /nfs/dbraw/zinc/56/37/66/607563766.db2.gz IKAZZWSLJPBOPB-UHFFFAOYSA-N 1 1 393.411 2.355 20 5 GEBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825643448 607567480 /nfs/dbraw/zinc/56/74/80/607567480.db2.gz OFUQFOCNERTUCY-UHFFFAOYSA-N 1 1 384.396 2.472 20 5 GEBDMO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000823620734 606704215 /nfs/dbraw/zinc/70/42/15/606704215.db2.gz PFEAIXVDTZUURI-HNNXBMFYSA-N 1 1 394.439 2.494 20 5 GEBDMO C[C@@H](CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000820240011 606714903 /nfs/dbraw/zinc/71/49/03/606714903.db2.gz BKLWDAMGUISKRD-ZDUSSCGKSA-N 1 1 382.428 2.492 20 5 GEBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)CC2)cc1 ZINC000823639698 607055731 /nfs/dbraw/zinc/05/57/31/607055731.db2.gz FTRKMKWPYMVMQB-UHFFFAOYSA-N 1 1 383.387 2.236 20 5 GEBDMO Cn1cc[nH+]c1[C@H]1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000826364423 607905115 /nfs/dbraw/zinc/90/51/15/607905115.db2.gz WBIQGJBUYKNLTP-NSHDSACASA-N 1 1 391.395 2.051 20 5 GEBDMO O=C(CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407530 607943074 /nfs/dbraw/zinc/94/30/74/607943074.db2.gz QLOBHEQJLOTFND-UHFFFAOYSA-N 1 1 393.407 2.162 20 5 GEBDMO O=C(CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407404 607943272 /nfs/dbraw/zinc/94/32/72/607943272.db2.gz MBEPCXMAHLQCFJ-UHFFFAOYSA-N 1 1 393.407 2.162 20 5 GEBDMO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000824530678 608391583 /nfs/dbraw/zinc/39/15/83/608391583.db2.gz MSSFGPJDLZALPH-VXGBXAGGSA-N 1 1 381.396 2.453 20 5 GEBDMO C[C@H]1CC[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447032221 649995248 /nfs/dbraw/zinc/99/52/48/649995248.db2.gz WCFDBNTVHPZMSH-JTQLQIEISA-N 1 1 381.376 2.328 20 5 GEBDMO C[C@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447032221 649995252 /nfs/dbraw/zinc/99/52/52/649995252.db2.gz WCFDBNTVHPZMSH-JTQLQIEISA-N 1 1 381.376 2.328 20 5 GEBDMO C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000501437509 650391902 /nfs/dbraw/zinc/39/19/02/650391902.db2.gz WHEVDGOQXCINGZ-BDJLRTHQSA-N 1 1 395.257 2.362 20 5 GEBDMO C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000501437509 650391905 /nfs/dbraw/zinc/39/19/05/650391905.db2.gz WHEVDGOQXCINGZ-BDJLRTHQSA-N 1 1 395.257 2.362 20 5 GEBDMO O=C(NCC[NH+]1CCSCC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488897660 650752042 /nfs/dbraw/zinc/75/20/42/650752042.db2.gz QFJNIRKJQUWPJO-UHFFFAOYSA-N 1 1 378.479 2.497 20 5 GEBDMO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)c1 ZINC000535942761 650792479 /nfs/dbraw/zinc/79/24/79/650792479.db2.gz IFJUGTZLJHDPHT-UHFFFAOYSA-N 1 1 382.211 2.469 20 5 GEBDMO CC[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)CCC(F)(F)F ZINC000494387679 650805934 /nfs/dbraw/zinc/80/59/34/650805934.db2.gz QYFGKRXJFGQRJP-UHFFFAOYSA-N 1 1 383.392 2.456 20 5 GEBDMO CC[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)CCC(F)(F)F ZINC000494387679 650805938 /nfs/dbraw/zinc/80/59/38/650805938.db2.gz QYFGKRXJFGQRJP-UHFFFAOYSA-N 1 1 383.392 2.456 20 5 GEBDMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120324144 643600266 /nfs/dbraw/zinc/60/02/66/643600266.db2.gz HYLKMZDPBAFTIT-WFASDCNBSA-N 1 1 381.479 2.455 20 5 GEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120324144 643600269 /nfs/dbraw/zinc/60/02/69/643600269.db2.gz HYLKMZDPBAFTIT-WFASDCNBSA-N 1 1 381.479 2.455 20 5 GEBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000128904615 643813185 /nfs/dbraw/zinc/81/31/85/643813185.db2.gz NMTPWKVBLNYEHY-CHWSQXEVSA-N 1 1 398.257 2.340 20 5 GEBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000128904615 643813187 /nfs/dbraw/zinc/81/31/87/643813187.db2.gz NMTPWKVBLNYEHY-CHWSQXEVSA-N 1 1 398.257 2.340 20 5 GEBDMO CCN1CC[NH+](CCCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000162068489 644231189 /nfs/dbraw/zinc/23/11/89/644231189.db2.gz AEFFYVFXIBSAKI-UHFFFAOYSA-N 1 1 399.289 2.115 20 5 GEBDMO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1cnn(C)c1 ZINC000543503571 650913088 /nfs/dbraw/zinc/91/30/88/650913088.db2.gz CLGXSBNCNJUDSX-VIFPVBQESA-N 1 1 382.218 2.380 20 5 GEBDMO C[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000183196942 644986863 /nfs/dbraw/zinc/98/68/63/644986863.db2.gz SIZMNRRILMKPBQ-LBPRGKRZSA-N 1 1 387.889 2.425 20 5 GEBDMO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000266189848 645832172 /nfs/dbraw/zinc/83/21/72/645832172.db2.gz MPMUYAMLOCBFMH-NSHDSACASA-N 1 1 392.275 2.072 20 5 GEBDMO CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000266189848 645832176 /nfs/dbraw/zinc/83/21/76/645832176.db2.gz MPMUYAMLOCBFMH-NSHDSACASA-N 1 1 392.275 2.072 20 5 GEBDMO O=C(NCC[NH+]1CCSCC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267905533 645933182 /nfs/dbraw/zinc/93/31/82/645933182.db2.gz ANZJVGATNKNCIO-UHFFFAOYSA-N 1 1 392.250 2.275 20 5 GEBDMO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000278774998 646548072 /nfs/dbraw/zinc/54/80/72/646548072.db2.gz OUIIIBAVFLVGEQ-NSHDSACASA-N 1 1 385.262 2.442 20 5 GEBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000278774998 646548076 /nfs/dbraw/zinc/54/80/76/646548076.db2.gz OUIIIBAVFLVGEQ-NSHDSACASA-N 1 1 385.262 2.442 20 5 GEBDMO O=[N+]([O-])c1cncc(I)c1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000418853259 648317863 /nfs/dbraw/zinc/31/78/63/648317863.db2.gz RXCKJGJDIASJGI-VHSXEESVSA-N 1 1 388.209 2.055 20 5 GEBDMO O=[N+]([O-])c1cnc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c(Br)c1 ZINC000610512201 651666499 /nfs/dbraw/zinc/66/64/99/651666499.db2.gz LUCFHVMUNJQKEL-ZDUSSCGKSA-N 1 1 385.262 2.443 20 5 GEBDMO O=[N+]([O-])c1cnc(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c(Br)c1 ZINC000610512201 651666501 /nfs/dbraw/zinc/66/65/01/651666501.db2.gz LUCFHVMUNJQKEL-ZDUSSCGKSA-N 1 1 385.262 2.443 20 5 GEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2cscc2Cl)cc1 ZINC000610930646 651693147 /nfs/dbraw/zinc/69/31/47/651693147.db2.gz ZKFBARBGQYSXKB-UHFFFAOYSA-N 1 1 375.859 2.378 20 5 GEBDMO Cc1nc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000611012568 651699012 /nfs/dbraw/zinc/69/90/12/651699012.db2.gz WKZCCENVEODAGP-JTQLQIEISA-N 1 1 384.483 2.297 20 5 GEBDMO C[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000585808176 652538548 /nfs/dbraw/zinc/53/85/48/652538548.db2.gz SAIVQTLQEGJJRR-ZANVPECISA-N 1 1 387.234 2.198 20 5 GEBDMO C[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000585808176 652538552 /nfs/dbraw/zinc/53/85/52/652538552.db2.gz SAIVQTLQEGJJRR-ZANVPECISA-N 1 1 387.234 2.198 20 5 GEBDMO O=[N+]([O-])c1cc(S(=O)(=O)NCC[NH+]2CCCCC2)ccc1Br ZINC000760857081 652626406 /nfs/dbraw/zinc/62/64/06/652626406.db2.gz XTXJFUBXNXROCU-UHFFFAOYSA-N 1 1 392.275 2.122 20 5 GEBDMO C[NH+](C)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000593591856 652627565 /nfs/dbraw/zinc/62/75/65/652627565.db2.gz AWDGRVHIZMPXQU-AWEZNQCLSA-N 1 1 384.845 2.224 20 5 GEBDMO Cc1c(Br)c(N2CCC([NH+]3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000599102867 652849573 /nfs/dbraw/zinc/84/95/73/652849573.db2.gz GGRGWBNBLMPEGS-UHFFFAOYSA-N 1 1 385.262 2.362 20 5 GEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000599972370 652895310 /nfs/dbraw/zinc/89/53/10/652895310.db2.gz YIYOZZROPXNOJZ-UONOGXRCSA-N 1 1 398.257 2.293 20 5 GEBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000774438361 653237306 /nfs/dbraw/zinc/23/73/06/653237306.db2.gz VRUPTHQOPNUWAL-LLVKDONJSA-N 1 1 385.262 2.460 20 5 GEBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000813741038 653613895 /nfs/dbraw/zinc/61/38/95/653613895.db2.gz NFUMIOVIBCBWPG-UFBFGSQYSA-N 1 1 380.253 2.226 20 5 GEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815018633 653644184 /nfs/dbraw/zinc/64/41/84/653644184.db2.gz WDNLOPINAYLMCW-BXKDBHETSA-N 1 1 379.841 2.348 20 5 GEBDMO C[N@H+]1CCC[C@]2(CCN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])C2)C1 ZINC000815065971 653649244 /nfs/dbraw/zinc/64/92/44/653649244.db2.gz UHKYRNSORCJQNX-HNNXBMFYSA-N 1 1 391.852 2.494 20 5 GEBDMO C[C@@H]1CCC[N@H+]1CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000841516413 653725141 /nfs/dbraw/zinc/72/51/41/653725141.db2.gz ZAWPLTDFRAAZAN-SNVBAGLBSA-N 1 1 381.376 2.376 20 5 GEBDMO C[N@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C[C@@]1(O)CCc2ccccc21 ZINC000842622134 653760918 /nfs/dbraw/zinc/76/09/18/653760918.db2.gz FYLLSGMCRJLCMW-HNNXBMFYSA-N 1 1 381.230 2.277 20 5 GEBDMO C[N@@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C[C@@]1(O)CCc2ccccc21 ZINC000842622134 653760922 /nfs/dbraw/zinc/76/09/22/653760922.db2.gz FYLLSGMCRJLCMW-HNNXBMFYSA-N 1 1 381.230 2.277 20 5 GEBDMO CN(CC(=O)N[C@H]1CCC[N@@H+](C)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796186640 653990050 /nfs/dbraw/zinc/99/00/50/653990050.db2.gz OOIIUXBDPXKIND-LBPRGKRZSA-N 1 1 385.262 2.004 20 5 GEBDMO CN(CC(=O)NC[C@@H]1CCC[N@H+]1C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796436836 653997796 /nfs/dbraw/zinc/99/77/96/653997796.db2.gz YOUVJGULEDOIPS-LBPRGKRZSA-N 1 1 385.262 2.004 20 5 GEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000828510141 654038874 /nfs/dbraw/zinc/03/88/74/654038874.db2.gz GYIYYQGDGLHLSA-SKDRFNHKSA-N 1 1 383.246 2.106 20 5 GEBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)C[C@@H]2C1 ZINC000916662166 654103961 /nfs/dbraw/zinc/10/39/61/654103961.db2.gz NAGUMHPXFDQZAS-ZJUUUORDSA-N 1 1 394.280 2.474 20 5 GEBDMO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889744993 654166290 /nfs/dbraw/zinc/16/62/90/654166290.db2.gz QLBUUYLJAPHCSN-OLZOCXBDSA-N 1 1 398.257 2.029 20 5 GEBDMO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000851820517 654183232 /nfs/dbraw/zinc/18/32/32/654183232.db2.gz AWPPMGGHCPAAGR-JTQLQIEISA-N 1 1 392.275 2.120 20 5 GEBDMO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000851821623 654183801 /nfs/dbraw/zinc/18/38/01/654183801.db2.gz WAOXHZFIRDHTGK-JTQLQIEISA-N 1 1 392.275 2.120 20 5 GEBDMO CC(C)[N@@H+](C)C[C@H](O)CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000852023114 654213823 /nfs/dbraw/zinc/21/38/23/654213823.db2.gz WANUFEQJRMMYGB-LBPRGKRZSA-N 1 1 386.290 2.417 20 5 GEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCC3)C2)c(C(F)(F)F)c1 ZINC000903209570 654227033 /nfs/dbraw/zinc/22/70/33/654227033.db2.gz DCEVDTKBMMERRP-NSHDSACASA-N 1 1 379.360 2.082 20 5 GEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ncc(Br)s2)c1 ZINC000872239214 654319131 /nfs/dbraw/zinc/31/91/31/654319131.db2.gz FHGKRFGBQKBDCA-JTQLQIEISA-N 1 1 388.243 2.343 20 5 GEBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000906441610 654437687 /nfs/dbraw/zinc/43/76/87/654437687.db2.gz NNMVMNUHPDXRRX-ZDUSSCGKSA-N 1 1 398.257 2.340 20 5 GEBDMO O=C1CC2(CCOCC2)[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)CCN1 ZINC000931535732 654745815 /nfs/dbraw/zinc/74/58/15/654745815.db2.gz HGGGXBLVVGMNHJ-UHFFFAOYSA-N 1 1 398.257 2.228 20 5 GEBDMO O=C1CC2(CCOCC2)[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)CCN1 ZINC000931535732 654745818 /nfs/dbraw/zinc/74/58/18/654745818.db2.gz HGGGXBLVVGMNHJ-UHFFFAOYSA-N 1 1 398.257 2.228 20 5 GEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000932907427 654793953 /nfs/dbraw/zinc/79/39/53/654793953.db2.gz DRWCIPGLDLEPFS-JTQLQIEISA-N 1 1 385.262 2.353 20 5 GEBDMO O=[N+]([O-])c1cc(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000934266658 654841651 /nfs/dbraw/zinc/84/16/51/654841651.db2.gz UDGYPRGCQBCKEC-LSDHHAIUSA-N 1 1 384.274 2.388 20 5 GEBDMO O=[N+]([O-])c1ccc(Br)c(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000934271284 654842204 /nfs/dbraw/zinc/84/22/04/654842204.db2.gz FCIOQOXPMODHNE-JKSUJKDBSA-N 1 1 384.274 2.388 20 5 GEBDMO Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncc1[N+](=O)[O-] ZINC001164841546 720634476 /nfs/dbraw/zinc/63/44/76/720634476.db2.gz SSBRTWMWXCDLQU-YESZJQIVSA-N 1 1 385.472 2.268 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(Cl)cc([N+](=O)[O-])n4)C[C@@H]3C2)cn1 ZINC001164761710 721109683 /nfs/dbraw/zinc/10/96/83/721109683.db2.gz APLHYQJOQFLDSU-KBPBESRZSA-N 1 1 376.848 2.335 20 5 GEBDMO COc1cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164909312 721527913 /nfs/dbraw/zinc/52/79/13/721527913.db2.gz RHIKPOAVSLEBJU-ZBFHGGJFSA-N 1 1 388.399 2.479 20 5 GEBDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164930719 721856672 /nfs/dbraw/zinc/85/66/72/721856672.db2.gz SIQJJERMYSIOOU-JKSUJKDBSA-N 1 1 390.875 2.406 20 5 GEBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164930719 721856674 /nfs/dbraw/zinc/85/66/74/721856674.db2.gz SIQJJERMYSIOOU-JKSUJKDBSA-N 1 1 390.875 2.406 20 5 GEBDMO O=[N+]([O-])c1cc(F)cnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980666 722105976 /nfs/dbraw/zinc/10/59/76/722105976.db2.gz JWGAQTAMWYHODY-QAPCUYQASA-N 1 1 387.415 2.251 20 5 GEBDMO C[N@H+](Cc1cc(Br)ccc1F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173582711 532021461 /nfs/dbraw/zinc/02/14/61/532021461.db2.gz ULKPPKLJDTVHRT-ZDUSSCGKSA-N 1 1 387.209 2.186 20 5 GEBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000176627891 532143880 /nfs/dbraw/zinc/14/38/80/532143880.db2.gz MTLVZCXZVCGWTI-LBPRGKRZSA-N 1 1 375.878 2.352 20 5 GEBDMO C[N@H+]1CC[C@H](Cn2nnnc2Sc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000131959565 532207825 /nfs/dbraw/zinc/20/78/25/532207825.db2.gz FCSIACRXTFVBQE-VIFPVBQESA-N 1 1 399.274 2.447 20 5 GEBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000184300936 532331676 /nfs/dbraw/zinc/33/16/76/532331676.db2.gz IQULFRCAFAROIK-LBPRGKRZSA-N 1 1 399.289 2.113 20 5 GEBDMO C[N@H+]1C[C@H]2CCN(Cc3cc(I)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000590011948 532365678 /nfs/dbraw/zinc/36/56/78/532365678.db2.gz NLKKLRNJLROPDX-RISCZKNCSA-N 1 1 387.221 2.335 20 5 GEBDMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000372766494 532408081 /nfs/dbraw/zinc/40/80/81/532408081.db2.gz MJEZVHNUSVDUGY-GJZGRUSLSA-N 1 1 398.257 2.029 20 5 GEBDMO C[N@H+]1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2Br)CC1(C)C ZINC000282626888 532483450 /nfs/dbraw/zinc/48/34/50/532483450.db2.gz SAWKFGOKSULYKO-UHFFFAOYSA-N 1 1 399.289 2.113 20 5 GEBDMO CCCC[N@H+](CC(N)=O)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000520291874 532488413 /nfs/dbraw/zinc/48/84/13/532488413.db2.gz KUOUVGFJFDYLJV-UHFFFAOYSA-N 1 1 391.209 2.287 20 5 GEBDMO CCCC[N@@H+](CC(N)=O)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000520291874 532488416 /nfs/dbraw/zinc/48/84/16/532488416.db2.gz KUOUVGFJFDYLJV-UHFFFAOYSA-N 1 1 391.209 2.287 20 5 GEBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[NH+]2CCC1CC2 ZINC000469154299 532494414 /nfs/dbraw/zinc/49/44/14/532494414.db2.gz WIXQLFIOTJBXLY-UHFFFAOYSA-N 1 1 380.253 2.370 20 5 GEBDMO CN(C)[C@@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000594762852 532523700 /nfs/dbraw/zinc/52/37/00/532523700.db2.gz YWTIPORMVPCQHO-AWEZNQCLSA-N 1 1 384.845 2.224 20 5 GEBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3ccc(Br)cc3)CC2)n1 ZINC000595722710 532570096 /nfs/dbraw/zinc/57/00/96/532570096.db2.gz GPTCZIKNFWSLIM-UHFFFAOYSA-N 1 1 380.246 2.376 20 5 GEBDMO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H]1COCCO1 ZINC000595735385 532571093 /nfs/dbraw/zinc/57/10/93/532571093.db2.gz GNOLKCKOZAYDIC-CYBMUJFWSA-N 1 1 392.193 2.047 20 5 GEBDMO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H]1COCCO1 ZINC000595735385 532571100 /nfs/dbraw/zinc/57/11/00/532571100.db2.gz GNOLKCKOZAYDIC-CYBMUJFWSA-N 1 1 392.193 2.047 20 5 GEBDMO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[N@@H+](C)C1 ZINC000284749038 532616408 /nfs/dbraw/zinc/61/64/08/532616408.db2.gz VKZDDZPKTRZFJQ-KBPBESRZSA-N 1 1 386.246 2.148 20 5 GEBDMO CN(C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1)S(C)(=O)=O ZINC000285618144 532694944 /nfs/dbraw/zinc/69/49/44/532694944.db2.gz NCWQCBUNYBPEEI-ZDUSSCGKSA-N 1 1 375.878 2.352 20 5 GEBDMO CN(C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1)S(C)(=O)=O ZINC000285618144 532694946 /nfs/dbraw/zinc/69/49/46/532694946.db2.gz NCWQCBUNYBPEEI-ZDUSSCGKSA-N 1 1 375.878 2.352 20 5 GEBDMO COCC[N@H+]1CC[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000501121115 532736899 /nfs/dbraw/zinc/73/68/99/532736899.db2.gz TZKVBFYRZXXWEP-LLVKDONJSA-N 1 1 387.234 2.200 20 5 GEBDMO C[N@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C(C)(C)C1 ZINC000330582828 532821876 /nfs/dbraw/zinc/82/18/76/532821876.db2.gz VHEGUHYWUFKAQJ-UHFFFAOYSA-N 1 1 385.262 2.322 20 5 GEBDMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000331133735 532833423 /nfs/dbraw/zinc/83/34/23/532833423.db2.gz BWXJFUILWKSBPA-NSHDSACASA-N 1 1 392.275 2.120 20 5 GEBDMO C[C@H](O)[C@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000289483573 532856021 /nfs/dbraw/zinc/85/60/21/532856021.db2.gz IPHYNPFRHZDBAV-ONGXEEELSA-N 1 1 376.194 2.402 20 5 GEBDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000289483573 532856025 /nfs/dbraw/zinc/85/60/25/532856025.db2.gz IPHYNPFRHZDBAV-ONGXEEELSA-N 1 1 376.194 2.402 20 5 GEBDMO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1Cl ZINC000421823669 532890985 /nfs/dbraw/zinc/89/09/85/532890985.db2.gz DQJKLSFNULMIJT-LLVKDONJSA-N 1 1 384.845 2.272 20 5 GEBDMO Cc1c(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cccc1[N+](=O)[O-] ZINC000737211638 598251939 /nfs/dbraw/zinc/25/19/39/598251939.db2.gz NBPMQDROCAZCJP-UHFFFAOYSA-N 1 1 379.424 2.406 20 5 GEBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(-c2nn[nH]n2)c1 ZINC000738373698 598675051 /nfs/dbraw/zinc/67/50/51/598675051.db2.gz FUVLZVSDOKICQG-HNNXBMFYSA-N 1 1 394.439 2.146 20 5 GEBDMO CS[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@H]1[NH+]1CCCC1 ZINC000445710927 649964253 /nfs/dbraw/zinc/96/42/53/649964253.db2.gz BHAAZUGDUKFOHE-CHWSQXEVSA-N 1 1 391.540 2.165 20 5 GEBDMO CC[N@@H+](C)C[C@H]1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821165065 606432603 /nfs/dbraw/zinc/43/26/03/606432603.db2.gz OMZCPNWSWILDRP-GFCCVEGCSA-N 1 1 382.428 2.101 20 5 GEBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820571101 606700582 /nfs/dbraw/zinc/70/05/82/606700582.db2.gz VWPYRKLWPUEQCG-GXTWGEPZSA-N 1 1 380.412 2.417 20 5 GEBDMO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000823620315 606711293 /nfs/dbraw/zinc/71/12/93/606711293.db2.gz KEZYXSCDPMMIHQ-AWEZNQCLSA-N 1 1 380.412 2.246 20 5 GEBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820751707 606805618 /nfs/dbraw/zinc/80/56/18/606805618.db2.gz HQYYVGUUUWWKRB-BZNIZROVSA-N 1 1 382.428 2.464 20 5 GEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCC[NH+]1CCSCC1 ZINC000446104935 649972144 /nfs/dbraw/zinc/97/21/44/649972144.db2.gz NZAQVMHHKWUDIX-UHFFFAOYSA-N 1 1 388.287 2.065 20 5 GEBDMO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826176194 607942750 /nfs/dbraw/zinc/94/27/50/607942750.db2.gz GDWFYLOTDSXPEF-UHFFFAOYSA-N 1 1 396.407 2.221 20 5 GEBDMO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826176194 607942751 /nfs/dbraw/zinc/94/27/51/607942751.db2.gz GDWFYLOTDSXPEF-UHFFFAOYSA-N 1 1 396.407 2.221 20 5 GEBDMO O=[N+]([O-])c1ccc2nc(N3CCC[C@H](c4[nH]cc[nH+]4)C3)cc(-c3nn[nH]n3)c2c1 ZINC000826499535 608377996 /nfs/dbraw/zinc/37/79/96/608377996.db2.gz MMQJRQXBSBBEPG-NSHDSACASA-N 1 1 391.395 2.430 20 5 GEBDMO O=[N+]([O-])c1ccc2nc(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc(-c3nn[nH]n3)c2c1 ZINC000826499534 608378035 /nfs/dbraw/zinc/37/80/35/608378035.db2.gz MMQJRQXBSBBEPG-LLVKDONJSA-N 1 1 391.395 2.430 20 5 GEBDMO Cc1[nH+]ccn1-c1ncccc1CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000826331006 608383131 /nfs/dbraw/zinc/38/31/31/608383131.db2.gz PJGYGDSUISOROW-UHFFFAOYSA-N 1 1 377.368 2.276 20 5 GEBDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000824530674 608391621 /nfs/dbraw/zinc/39/16/21/608391621.db2.gz MSSFGPJDLZALPH-NWDGAFQWSA-N 1 1 381.396 2.453 20 5 GEBDMO O=c1c([N+](=O)[O-])cc(Br)cn1Cc1[nH+]ccn1CC(F)(F)F ZINC000502132604 650401302 /nfs/dbraw/zinc/40/13/02/650401302.db2.gz GRKRFTSFPDTYFA-UHFFFAOYSA-N 1 1 381.108 2.326 20 5 GEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2ccsc2Cl)cc1 ZINC000480342437 650620196 /nfs/dbraw/zinc/62/01/96/650620196.db2.gz MAWQIFLRNIREJB-UHFFFAOYSA-N 1 1 375.859 2.378 20 5 GEBDMO CC[N@H+](CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)CCC(F)(F)F ZINC000494406339 650807021 /nfs/dbraw/zinc/80/70/21/650807021.db2.gz OXXDKCQLJHUXRJ-UHFFFAOYSA-N 1 1 383.392 2.289 20 5 GEBDMO CC[N@@H+](CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)CCC(F)(F)F ZINC000494406339 650807022 /nfs/dbraw/zinc/80/70/22/650807022.db2.gz OXXDKCQLJHUXRJ-UHFFFAOYSA-N 1 1 383.392 2.289 20 5 GEBDMO COc1ccc(S(=O)(=O)NC[C@H](c2cccs2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000105550050 643208614 /nfs/dbraw/zinc/20/86/14/643208614.db2.gz FUFZHYJYLBIDSO-CYBMUJFWSA-N 1 1 385.467 2.246 20 5 GEBDMO COc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000105550047 643208707 /nfs/dbraw/zinc/20/87/07/643208707.db2.gz FUFZHYJYLBIDSO-ZDUSSCGKSA-N 1 1 385.467 2.246 20 5 GEBDMO C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000121810532 643641726 /nfs/dbraw/zinc/64/17/26/643641726.db2.gz IWJJNLRFDSRJGA-NSHDSACASA-N 1 1 386.246 2.055 20 5 GEBDMO C[N@@H+](CCSc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000193744108 645295656 /nfs/dbraw/zinc/29/56/56/645295656.db2.gz CMUVEVZGXXOECY-UHFFFAOYSA-N 1 1 381.479 2.466 20 5 GEBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000246982552 645500385 /nfs/dbraw/zinc/50/03/85/645500385.db2.gz DYWAVUSBCGUNQE-YPMHNXCESA-N 1 1 397.273 2.464 20 5 GEBDMO COCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000269959513 646076669 /nfs/dbraw/zinc/07/66/69/646076669.db2.gz IOWKJSOJFXWEMM-LLVKDONJSA-N 1 1 387.234 2.200 20 5 GEBDMO C[N@H+]1CC[C@]2(CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])C2)C1 ZINC000292459090 647190729 /nfs/dbraw/zinc/19/07/29/647190729.db2.gz ZSOGNIFTXGEJEW-HNNXBMFYSA-N 1 1 375.397 2.123 20 5 GEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000378492945 647883024 /nfs/dbraw/zinc/88/30/24/647883024.db2.gz HZRKBTUANMKQTB-XHDPSFHLSA-N 1 1 382.258 2.452 20 5 GEBDMO C[NH+]1CCN([C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)c2cccs2)CC1 ZINC000603825417 651499793 /nfs/dbraw/zinc/49/97/93/651499793.db2.gz MLTKKZXOPCPAEN-GFCCVEGCSA-N 1 1 380.495 2.436 20 5 GEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c(C(F)(F)F)c1 ZINC000611106988 651707367 /nfs/dbraw/zinc/70/73/67/651707367.db2.gz LCFANHSCCJZDKY-SECBINFHSA-N 1 1 379.360 2.129 20 5 GEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c(C(F)(F)F)c1 ZINC000611106988 651707372 /nfs/dbraw/zinc/70/73/72/651707372.db2.gz LCFANHSCCJZDKY-SECBINFHSA-N 1 1 379.360 2.129 20 5 GEBDMO O=[N+]([O-])c1cncc(I)c1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000569912437 651732884 /nfs/dbraw/zinc/73/28/84/651732884.db2.gz SNWNVVDKRMTVNH-SNVBAGLBSA-N 1 1 388.209 2.269 20 5 GEBDMO CC(C)(C)NC(=O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000577325545 652179249 /nfs/dbraw/zinc/17/92/49/652179249.db2.gz FDLLMLXZGLYWOV-UHFFFAOYSA-N 1 1 391.209 2.204 20 5 GEBDMO Cc1c(Br)c(N(C)CCC[N@H+](C)CCN(C)C)ncc1[N+](=O)[O-] ZINC000582628372 652456787 /nfs/dbraw/zinc/45/67/87/652456787.db2.gz KSGYVYNRLROZEE-UHFFFAOYSA-N 1 1 388.310 2.380 20 5 GEBDMO Cc1c(Br)c(N(C)CCCN(C)CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000582628372 652456788 /nfs/dbraw/zinc/45/67/88/652456788.db2.gz KSGYVYNRLROZEE-UHFFFAOYSA-N 1 1 388.310 2.380 20 5 GEBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000760833293 652625315 /nfs/dbraw/zinc/62/53/15/652625315.db2.gz UGNOLMKOTQLOKD-UHFFFAOYSA-N 1 1 394.229 2.053 20 5 GEBDMO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000594965706 652698318 /nfs/dbraw/zinc/69/83/18/652698318.db2.gz IEFFMAPBDIJTSN-ZFWWWQNUSA-N 1 1 382.463 2.225 20 5 GEBDMO O=[N+]([O-])c1cc(Br)ccc1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595864219 652740117 /nfs/dbraw/zinc/74/01/17/652740117.db2.gz RCVQXJVRELDBCO-HNNXBMFYSA-N 1 1 384.274 2.388 20 5 GEBDMO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000599360456 652864035 /nfs/dbraw/zinc/86/40/35/652864035.db2.gz NHIWBSJARXUAKY-JSGCOSHPSA-N 1 1 398.257 2.029 20 5 GEBDMO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000599360610 652864050 /nfs/dbraw/zinc/86/40/50/652864050.db2.gz NHIWBSJARXUAKY-OCCSQVGLSA-N 1 1 398.257 2.029 20 5 GEBDMO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599783721 652889810 /nfs/dbraw/zinc/88/98/10/652889810.db2.gz YNUSDUOQWYHDCV-GFCCVEGCSA-N 1 1 399.289 2.113 20 5 GEBDMO CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000810091229 653323957 /nfs/dbraw/zinc/32/39/57/653323957.db2.gz LJXBIWXVJLZPBE-SNVBAGLBSA-N 1 1 394.291 2.364 20 5 GEBDMO CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000810091212 653324060 /nfs/dbraw/zinc/32/40/60/653324060.db2.gz KUUYKJYUQLNUOY-SNVBAGLBSA-N 1 1 394.291 2.364 20 5 GEBDMO C[N@@H+](C[C@H](O)COc1cc([N+](=O)[O-])ccc1I)C1CC1 ZINC000811818890 653407438 /nfs/dbraw/zinc/40/74/38/653407438.db2.gz WLZBLOIGDVZZBX-NSHDSACASA-N 1 1 392.193 2.033 20 5 GEBDMO C[C@@H]1CCC[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000780868121 653634488 /nfs/dbraw/zinc/63/44/88/653634488.db2.gz QKJSILASMDWXPT-SNVBAGLBSA-N 1 1 392.275 2.120 20 5 GEBDMO C[C@H]1CCC[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000780868336 653634496 /nfs/dbraw/zinc/63/44/96/653634496.db2.gz WKUWEPBYFRZKHT-JTQLQIEISA-N 1 1 381.376 2.376 20 5 GEBDMO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000815018574 653643916 /nfs/dbraw/zinc/64/39/16/653643916.db2.gz UGHXGZUQQSFILI-UWVGGRQHSA-N 1 1 379.841 2.491 20 5 GEBDMO O=[N+]([O-])c1ccc(Br)c2c1CN(CCC[NH+]1CCOCC1)CC2 ZINC000792914002 653855889 /nfs/dbraw/zinc/85/58/89/653855889.db2.gz OBPFYYFEOPASBD-UHFFFAOYSA-N 1 1 384.274 2.438 20 5 GEBDMO CN1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)CC[N@@H+](C)CC1 ZINC000897859296 653940620 /nfs/dbraw/zinc/94/06/20/653940620.db2.gz ZNBGJQUSRKGZPE-UHFFFAOYSA-N 1 1 377.308 2.098 20 5 GEBDMO C[N@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)CC[C@H]21 ZINC000795882891 653974669 /nfs/dbraw/zinc/97/46/69/653974669.db2.gz CCTSZYLNMQYWQR-GXFFZTMASA-N 1 1 391.852 2.492 20 5 GEBDMO C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)CC[C@@H]21 ZINC000867809892 653991095 /nfs/dbraw/zinc/99/10/95/653991095.db2.gz VDXQMGUAQLTBCM-CABZTGNLSA-N 1 1 377.825 2.102 20 5 GEBDMO C[N@H+]1C[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@]2(C)C1 ZINC000887932135 654059087 /nfs/dbraw/zinc/05/90/87/654059087.db2.gz WNJKTKYHPIUJTI-WBMJQRKESA-N 1 1 382.258 2.310 20 5 GEBDMO CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000888983716 654118720 /nfs/dbraw/zinc/11/87/20/654118720.db2.gz NSEQMGQDDCGKBZ-UHFFFAOYSA-N 1 1 375.256 2.221 20 5 GEBDMO CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000888983716 654118724 /nfs/dbraw/zinc/11/87/24/654118724.db2.gz NSEQMGQDDCGKBZ-UHFFFAOYSA-N 1 1 375.256 2.221 20 5 GEBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC[N@H+](C2CC2)C1 ZINC000832949801 654300853 /nfs/dbraw/zinc/30/08/53/654300853.db2.gz PCYHAIPXCQTOGK-SNVBAGLBSA-N 1 1 383.246 2.309 20 5 GEBDMO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000872666355 654387707 /nfs/dbraw/zinc/38/77/07/654387707.db2.gz YCYMFFFNJZVXBQ-NWDGAFQWSA-N 1 1 377.825 2.245 20 5 GEBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000872666355 654387708 /nfs/dbraw/zinc/38/77/08/654387708.db2.gz YCYMFFFNJZVXBQ-NWDGAFQWSA-N 1 1 377.825 2.245 20 5 GEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC000934953578 654868026 /nfs/dbraw/zinc/86/80/26/654868026.db2.gz ZDJBQEUPYXFDJL-ZWNOBZJWSA-N 1 1 397.273 2.496 20 5 GEBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000935779542 654916211 /nfs/dbraw/zinc/91/62/11/654916211.db2.gz ZQJNBCRBCGJJSH-NSHDSACASA-N 1 1 385.262 2.496 20 5 GEBDMO COc1nc(C)c([N+](=O)[O-])c(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)n1 ZINC001164647436 719310921 /nfs/dbraw/zinc/31/09/21/719310921.db2.gz BBNCQJGYJDLPKE-UHFFFAOYSA-N 1 1 389.460 2.104 20 5 GEBDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])CC2 ZINC001164648229 719311978 /nfs/dbraw/zinc/31/19/78/719311978.db2.gz GUUZQBFRPSHEFJ-UHFFFAOYSA-N 1 1 394.863 2.283 20 5 GEBDMO C[N@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)C[C@@H]21 ZINC001164669916 719469807 /nfs/dbraw/zinc/46/98/07/719469807.db2.gz VXZSLQPCXNKCCF-HOTGVXAUSA-N 1 1 375.816 2.224 20 5 GEBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164731034 720404737 /nfs/dbraw/zinc/40/47/37/720404737.db2.gz YEVBGWBQLPNBGF-LSDHHAIUSA-N 1 1 375.816 2.130 20 5 GEBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc([N+](=O)[O-])c(N)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834959 720562298 /nfs/dbraw/zinc/56/22/98/720562298.db2.gz GCGIYZXULNMQGD-OWCLPIDISA-N 1 1 385.472 2.146 20 5 GEBDMO Cc1cc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164737080 720664773 /nfs/dbraw/zinc/66/47/73/720664773.db2.gz CXXISUSRNQJIMZ-QWHCGFSZSA-N 1 1 390.831 2.084 20 5 GEBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c2ccccc21 ZINC001164744346 720680864 /nfs/dbraw/zinc/68/08/64/720680864.db2.gz ZKUVMXKMKJJKFK-HUUCEWRRSA-N 1 1 392.419 2.275 20 5 GEBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744804 720811784 /nfs/dbraw/zinc/81/17/84/720811784.db2.gz IPSXVOBSPNVEPR-BHIYHBOVSA-N 1 1 397.483 2.269 20 5 GEBDMO Cc1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1[N+](=O)[O-] ZINC001164746818 720818027 /nfs/dbraw/zinc/81/80/27/720818027.db2.gz ZHXCUUSSQHHVSJ-FGTMMUONSA-N 1 1 397.483 2.269 20 5 GEBDMO Cc1c(C)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164864081 721099116 /nfs/dbraw/zinc/09/91/16/721099116.db2.gz DZLGFSDOCCKTIE-MSOLQXFVSA-N 1 1 383.452 2.481 20 5 GEBDMO Cc1cnc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c([N+](=O)[O-])c1 ZINC001164886746 721384426 /nfs/dbraw/zinc/38/44/26/721384426.db2.gz GAYSTFARLHCTIX-XLIONFOSSA-N 1 1 389.500 2.064 20 5 GEBDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001164934372 721877617 /nfs/dbraw/zinc/87/76/17/721877617.db2.gz QVBGUXCPQHQVKE-RTBURBONSA-N 1 1 382.468 2.266 20 5 GEBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001164934372 721877618 /nfs/dbraw/zinc/87/76/18/721877618.db2.gz QVBGUXCPQHQVKE-RTBURBONSA-N 1 1 382.468 2.266 20 5 GEBDMO COc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164979785 722113101 /nfs/dbraw/zinc/11/31/01/722113101.db2.gz PYQMDCWPKFTZPV-LPHOPBHVSA-N 1 1 399.451 2.121 20 5 GEBDMO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000173406388 532009828 /nfs/dbraw/zinc/00/98/28/532009828.db2.gz DZIMFHVGDWTLGV-JTQLQIEISA-N 1 1 392.275 2.072 20 5 GEBDMO CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000173406388 532009833 /nfs/dbraw/zinc/00/98/33/532009833.db2.gz DZIMFHVGDWTLGV-JTQLQIEISA-N 1 1 392.275 2.072 20 5 GEBDMO C[N@H+](Cc1ccc(Br)s1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174707114 532074702 /nfs/dbraw/zinc/07/47/02/532074702.db2.gz LIMNIVXCRSQTKX-SNVBAGLBSA-N 1 1 375.248 2.108 20 5 GEBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)C[NH+]1CCOCC1 ZINC000123586969 532102166 /nfs/dbraw/zinc/10/21/66/532102166.db2.gz DEEZRIBRORVUME-LLVKDONJSA-N 1 1 386.246 2.055 20 5 GEBDMO O=[N+]([O-])c1cc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)cs1 ZINC000127897370 532158165 /nfs/dbraw/zinc/15/81/65/532158165.db2.gz RDAYYNAUZBNONK-UHFFFAOYSA-N 1 1 381.888 2.439 20 5 GEBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1cc([N+](=O)[O-])ccc1Br ZINC000129031852 532171227 /nfs/dbraw/zinc/17/12/27/532171227.db2.gz SUOPDPMDCCLMMA-OLZOCXBDSA-N 1 1 398.257 2.340 20 5 GEBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1cc([N+](=O)[O-])ccc1Br ZINC000129031852 532171230 /nfs/dbraw/zinc/17/12/30/532171230.db2.gz SUOPDPMDCCLMMA-OLZOCXBDSA-N 1 1 398.257 2.340 20 5 GEBDMO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccnc1Cl ZINC000180941458 532286573 /nfs/dbraw/zinc/28/65/73/532286573.db2.gz NSVMPJUIVHVKLQ-LLVKDONJSA-N 1 1 384.845 2.272 20 5 GEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H](O)c1ccccc1Br ZINC000295458489 532447967 /nfs/dbraw/zinc/44/79/67/532447967.db2.gz XYOJRCFCVJJKFL-HNNXBMFYSA-N 1 1 396.241 2.184 20 5 GEBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1Br ZINC000373788310 532470054 /nfs/dbraw/zinc/47/00/54/532470054.db2.gz SDRMHGXHLCEALM-RYUDHWBXSA-N 1 1 398.257 2.340 20 5 GEBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1Br ZINC000373788310 532470065 /nfs/dbraw/zinc/47/00/65/532470065.db2.gz SDRMHGXHLCEALM-RYUDHWBXSA-N 1 1 398.257 2.340 20 5 GEBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1Br ZINC000373788308 532471077 /nfs/dbraw/zinc/47/10/77/532471077.db2.gz SDRMHGXHLCEALM-NWDGAFQWSA-N 1 1 398.257 2.340 20 5 GEBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1Br ZINC000373788308 532471083 /nfs/dbraw/zinc/47/10/83/532471083.db2.gz SDRMHGXHLCEALM-NWDGAFQWSA-N 1 1 398.257 2.340 20 5 GEBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596104862 532586605 /nfs/dbraw/zinc/58/66/05/532586605.db2.gz OSANWQFYKIVXRR-LLVKDONJSA-N 1 1 385.262 2.357 20 5 GEBDMO COc1cc(C[N@H+]2C[C@H](O)C[C@@H]2CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000359975180 212129642 /nfs/dbraw/zinc/12/96/42/212129642.db2.gz PZGJCKPGPSBRGT-QZTJIDSGSA-N 1 1 388.420 2.110 20 5 GEBDMO C[N@@H+](C[C@H](O)CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1CC1 ZINC000289490168 532856565 /nfs/dbraw/zinc/85/65/65/532856565.db2.gz YXODAGVJWCIDBN-LBPRGKRZSA-N 1 1 384.274 2.171 20 5 GEBDMO C[C@@H](O)[C@@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000289483570 532856406 /nfs/dbraw/zinc/85/64/06/532856406.db2.gz IPHYNPFRHZDBAV-MWLCHTKSSA-N 1 1 376.194 2.402 20 5 GEBDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000289483570 532856407 /nfs/dbraw/zinc/85/64/07/532856407.db2.gz IPHYNPFRHZDBAV-MWLCHTKSSA-N 1 1 376.194 2.402 20 5 GEBDMO CN(C[C@@H]1CCC[N@@H+]1C)c1c(I)cncc1[N+](=O)[O-] ZINC000420632133 532884077 /nfs/dbraw/zinc/88/40/77/532884077.db2.gz HOJVIRFDSOBWTI-VIFPVBQESA-N 1 1 376.198 2.125 20 5 GEBDMO CN(C[C@@H]1CCC[N@H+]1C)c1c(I)cncc1[N+](=O)[O-] ZINC000420632133 532884080 /nfs/dbraw/zinc/88/40/80/532884080.db2.gz HOJVIRFDSOBWTI-VIFPVBQESA-N 1 1 376.198 2.125 20 5 GEBDMO C[N@H+]1CC[C@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C2)C1 ZINC000366482162 532917756 /nfs/dbraw/zinc/91/77/56/532917756.db2.gz MTXSUYSOMHQOOL-INIZCTEOSA-N 1 1 382.258 2.454 20 5 GEBDMO CCOCCC[N@H+]1CC[C@@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000736616302 599063508 /nfs/dbraw/zinc/06/35/08/599063508.db2.gz QVOOWXNZJVKMCI-UKRRQHHQSA-N 1 1 389.460 2.324 20 5 GEBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821614510 599081156 /nfs/dbraw/zinc/08/11/56/599081156.db2.gz JCFZIVRTXFXDRJ-MRXNPFEDSA-N 1 1 379.424 2.486 20 5 GEBDMO CCC[N@@H+](C)C[C@H]1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821088657 599093177 /nfs/dbraw/zinc/09/31/77/599093177.db2.gz RJZGAIDMQBMZGT-CYBMUJFWSA-N 1 1 396.455 2.491 20 5 GEBDMO CC1(C)CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1Cc1ccccc1 ZINC000736214663 598246206 /nfs/dbraw/zinc/24/62/06/598246206.db2.gz SYJJNLNEMCYJME-UHFFFAOYSA-N 1 1 394.439 2.271 20 5 GEBDMO Cc1cc(N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)ncc1[N+](=O)[O-] ZINC000822207374 606035615 /nfs/dbraw/zinc/03/56/15/606035615.db2.gz TZSBWEVICCQXJV-UHFFFAOYSA-N 1 1 394.439 2.191 20 5 GEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820760962 606714842 /nfs/dbraw/zinc/71/48/42/606714842.db2.gz UOSNWXZWAOESFY-XJKSGUPXSA-N 1 1 394.439 2.492 20 5 GEBDMO CC(C)(CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000819984031 607166501 /nfs/dbraw/zinc/16/65/01/607166501.db2.gz NRPHJFWRIVMVEZ-UHFFFAOYSA-N 1 1 394.439 2.419 20 5 GEBDMO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[N@@H+](C)C1CC1 ZINC000447031452 649995171 /nfs/dbraw/zinc/99/51/71/649995171.db2.gz RVDJXBSBRJSCPT-SECBINFHSA-N 1 1 392.275 2.118 20 5 GEBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2ccsc2Cl)c1 ZINC000480338555 650620228 /nfs/dbraw/zinc/62/02/28/650620228.db2.gz CINAKWSYLJJFAY-UHFFFAOYSA-N 1 1 375.859 2.378 20 5 GEBDMO COc1ccc(CSCC(=O)NCC[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000488999129 650753337 /nfs/dbraw/zinc/75/33/37/650753337.db2.gz MGBJZMNVAWPSDH-UHFFFAOYSA-N 1 1 385.511 2.002 20 5 GEBDMO CCCc1csc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000494061121 650800915 /nfs/dbraw/zinc/80/09/15/650800915.db2.gz UFLAKAVQCXMJDW-UHFFFAOYSA-N 1 1 384.483 2.072 20 5 GEBDMO CC[N@@H+](CCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C1CC1 ZINC000102932972 643147405 /nfs/dbraw/zinc/14/74/05/643147405.db2.gz KKTTWMVSNNBGIM-UHFFFAOYSA-N 1 1 392.275 2.120 20 5 GEBDMO CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000109065082 643288766 /nfs/dbraw/zinc/28/87/66/643288766.db2.gz ZFACPPXFWHQRBW-SNVBAGLBSA-N 1 1 394.291 2.366 20 5 GEBDMO CCOCCC[N@H+]1CC[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000119772619 643571292 /nfs/dbraw/zinc/57/12/92/643571292.db2.gz PYPHYXUHTLRVCV-TZMCWYRMSA-N 1 1 391.515 2.072 20 5 GEBDMO O=[N+]([O-])c1ccccc1C[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000127779528 643784477 /nfs/dbraw/zinc/78/44/77/643784477.db2.gz ACOAGRYGJDRQEF-UHFFFAOYSA-N 1 1 375.859 2.378 20 5 GEBDMO COCCC[N@@H+](C)CCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155152147 644066635 /nfs/dbraw/zinc/06/66/35/644066635.db2.gz PMGXOBISMGYINN-UHFFFAOYSA-N 1 1 389.250 2.447 20 5 GEBDMO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1cnn(C)c1 ZINC000543503558 650913351 /nfs/dbraw/zinc/91/33/51/650913351.db2.gz CLGXSBNCNJUDSX-SECBINFHSA-N 1 1 382.218 2.380 20 5 GEBDMO O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000180574744 644508784 /nfs/dbraw/zinc/50/87/84/644508784.db2.gz MRFSASSOVVYXSN-LBPRGKRZSA-N 1 1 398.257 2.152 20 5 GEBDMO COc1ccc(Br)cc1C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266472804 645845020 /nfs/dbraw/zinc/84/50/20/645845020.db2.gz RTSGVGJBGYRYLP-AWEZNQCLSA-N 1 1 399.245 2.055 20 5 GEBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363260505 647589682 /nfs/dbraw/zinc/58/96/82/647589682.db2.gz WXAHUCRKWXVXMF-IACUBPJLSA-N 1 1 385.873 2.353 20 5 GEBDMO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000420771579 648454947 /nfs/dbraw/zinc/45/49/47/648454947.db2.gz SFHFGCLSINOORB-LLVKDONJSA-N 1 1 381.376 2.328 20 5 GEBDMO C[N@H+]1CC[C@@]2(CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Br)C2)C1 ZINC000429016750 648742776 /nfs/dbraw/zinc/74/27/76/648742776.db2.gz DHGIYYQVRVRWBC-MRXNPFEDSA-N 1 1 397.273 2.323 20 5 GEBDMO C[N@H+](Cc1cc(Br)cs1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438832327 648806101 /nfs/dbraw/zinc/80/61/01/648806101.db2.gz UKOFKEDWNARWSH-NSHDSACASA-N 1 1 375.248 2.108 20 5 GEBDMO Cc1c(Br)cc(S(=O)(=O)N2CC[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000568650068 651674605 /nfs/dbraw/zinc/67/46/05/651674605.db2.gz YBBQWCIVKNLKHA-UHFFFAOYSA-N 1 1 392.275 2.038 20 5 GEBDMO Cc1nc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000611012569 651699441 /nfs/dbraw/zinc/69/94/41/651699441.db2.gz WKZCCENVEODAGP-SNVBAGLBSA-N 1 1 384.483 2.297 20 5 GEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000570083405 651745568 /nfs/dbraw/zinc/74/55/68/651745568.db2.gz TVXUKLOXXUGTED-UHFFFAOYSA-N 1 1 394.229 2.351 20 5 GEBDMO C[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000585808175 652538588 /nfs/dbraw/zinc/53/85/88/652538588.db2.gz SAIVQTLQEGJJRR-TVQRCGJNSA-N 1 1 387.234 2.198 20 5 GEBDMO C[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000585808175 652538591 /nfs/dbraw/zinc/53/85/91/652538591.db2.gz SAIVQTLQEGJJRR-TVQRCGJNSA-N 1 1 387.234 2.198 20 5 GEBDMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000598454994 652816675 /nfs/dbraw/zinc/81/66/75/652816675.db2.gz YMUSURYIFOMFGC-CYBMUJFWSA-N 1 1 398.257 2.029 20 5 GEBDMO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000765195905 652830393 /nfs/dbraw/zinc/83/03/93/652830393.db2.gz URYPKEKECGIHDJ-VHSXEESVSA-N 1 1 392.275 2.118 20 5 GEBDMO CC[C@H](CO)[NH+]1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602480768 653185592 /nfs/dbraw/zinc/18/55/92/653185592.db2.gz BSIYCFYEQJMPOR-SNVBAGLBSA-N 1 1 378.292 2.307 20 5 GEBDMO Cn1cc(C[N@@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)c([N+](=O)[O-])n1 ZINC000602887237 653212561 /nfs/dbraw/zinc/21/25/61/653212561.db2.gz NPZPOYMPQWMTNK-GFCCVEGCSA-N 1 1 382.218 2.139 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)c([N+](=O)[O-])n1 ZINC000602887237 653212564 /nfs/dbraw/zinc/21/25/64/653212564.db2.gz NPZPOYMPQWMTNK-GFCCVEGCSA-N 1 1 382.218 2.139 20 5 GEBDMO CN(C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1)S(C)(=O)=O ZINC000809688104 653289495 /nfs/dbraw/zinc/28/94/95/653289495.db2.gz AKTSFZMOTNSORC-ZDUSSCGKSA-N 1 1 375.878 2.352 20 5 GEBDMO CN(C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1)S(C)(=O)=O ZINC000809688104 653289500 /nfs/dbraw/zinc/28/95/00/653289500.db2.gz AKTSFZMOTNSORC-ZDUSSCGKSA-N 1 1 375.878 2.352 20 5 GEBDMO C[N@H+]1CCCC[C@H](CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000859303675 653438048 /nfs/dbraw/zinc/43/80/48/653438048.db2.gz XQDXMKPWXHQHLX-SNVBAGLBSA-N 1 1 379.841 2.398 20 5 GEBDMO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815012230 653643170 /nfs/dbraw/zinc/64/31/70/653643170.db2.gz IHQPKUXCWHQABH-SNVBAGLBSA-N 1 1 377.825 2.245 20 5 GEBDMO CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815012230 653643174 /nfs/dbraw/zinc/64/31/74/653643174.db2.gz IHQPKUXCWHQABH-SNVBAGLBSA-N 1 1 377.825 2.245 20 5 GEBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000815014645 653643601 /nfs/dbraw/zinc/64/36/01/653643601.db2.gz WEDDMWLEWTWEQB-JTQLQIEISA-N 1 1 377.825 2.150 20 5 GEBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000896447159 653880355 /nfs/dbraw/zinc/88/03/55/653880355.db2.gz QNWHCQYEMGYGJG-FZMZJTMJSA-N 1 1 383.246 2.203 20 5 GEBDMO CN([C@@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000867424646 653930975 /nfs/dbraw/zinc/93/09/75/653930975.db2.gz QWTSYFCCZRBLLM-CYBMUJFWSA-N 1 1 377.825 2.102 20 5 GEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CC[C@H]21 ZINC000827308312 653985375 /nfs/dbraw/zinc/98/53/75/653985375.db2.gz BKNOVGRHMCUXGV-IUODEOHRSA-N 1 1 382.258 2.452 20 5 GEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798175636 654052691 /nfs/dbraw/zinc/05/26/91/654052691.db2.gz HBTLJHFFIUPEBZ-UHFFFAOYSA-N 1 1 382.218 2.420 20 5 GEBDMO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CC[NH+](CCCF)CC1 ZINC000869113288 654069567 /nfs/dbraw/zinc/06/95/67/654069567.db2.gz OAFSZTGTOVVDNF-UHFFFAOYSA-N 1 1 388.237 2.404 20 5 GEBDMO O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000900790876 654080329 /nfs/dbraw/zinc/08/03/29/654080329.db2.gz AIOHXNUIGMDNAU-STQMWFEESA-N 1 1 398.257 2.029 20 5 GEBDMO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889744992 654166149 /nfs/dbraw/zinc/16/61/49/654166149.db2.gz QLBUUYLJAPHCSN-CHWSQXEVSA-N 1 1 398.257 2.029 20 5 GEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ncc(Br)s2)c1 ZINC000872239216 654318899 /nfs/dbraw/zinc/31/88/99/654318899.db2.gz FHGKRFGBQKBDCA-SNVBAGLBSA-N 1 1 388.243 2.343 20 5 GEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000933436621 654812967 /nfs/dbraw/zinc/81/29/67/654812967.db2.gz USEWWHXFMIPGOR-SKDRFNHKSA-N 1 1 385.262 2.352 20 5 GEBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncc([N+](=O)[O-])c3ccccc31)CC2 ZINC001164686328 719715943 /nfs/dbraw/zinc/71/59/43/719715943.db2.gz ZPBNBJABTYHSQM-UHFFFAOYSA-N 1 1 383.452 2.324 20 5 GEBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(OC)c([N+](=O)[O-])cn1)C2 ZINC001164809673 720102627 /nfs/dbraw/zinc/10/26/27/720102627.db2.gz IBVZDJJCAPWINX-BEFAXECRSA-N 1 1 376.457 2.183 20 5 GEBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])C2 ZINC001164811749 720137702 /nfs/dbraw/zinc/13/77/02/720137702.db2.gz NDONITVJKOCPBM-RDTXWAMCSA-N 1 1 396.875 2.066 20 5 GEBDMO Cc1ncc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164833775 720535307 /nfs/dbraw/zinc/53/53/07/720535307.db2.gz BOBUVTKLMNOLHM-YESZJQIVSA-N 1 1 385.472 2.268 20 5 GEBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)CC[C@@H]21 ZINC001164834986 720558209 /nfs/dbraw/zinc/55/82/09/720558209.db2.gz GJODMJWCYABUGG-ZOBUZTSGSA-N 1 1 385.472 2.146 20 5 GEBDMO Cc1cc([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1Cl ZINC001164737253 720669031 /nfs/dbraw/zinc/66/90/31/720669031.db2.gz DUMSXUJEXGDKDC-STQMWFEESA-N 1 1 390.831 2.084 20 5 GEBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164751926 720803569 /nfs/dbraw/zinc/80/35/69/720803569.db2.gz YDFUYZZAGUPLKR-IRXDYDNUSA-N 1 1 392.419 2.275 20 5 GEBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164751923 720803706 /nfs/dbraw/zinc/80/37/06/720803706.db2.gz YDFUYZZAGUPLKR-IAGOWNOFSA-N 1 1 392.419 2.275 20 5 GEBDMO COc1ncnc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c1[N+](=O)[O-] ZINC001164862977 720960421 /nfs/dbraw/zinc/96/04/21/720960421.db2.gz XNHJTBGLQIGLDW-GFCCVEGCSA-N 1 1 375.433 2.011 20 5 GEBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(Cl)ncc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164761589 721090659 /nfs/dbraw/zinc/09/06/59/721090659.db2.gz CAZFBSAKTFYWKA-ZIAGYGMSSA-N 1 1 376.848 2.335 20 5 GEBDMO O=[N+]([O-])c1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc2[nH]ccc21 ZINC001164867701 721117317 /nfs/dbraw/zinc/11/73/17/721117317.db2.gz ZPIHOCATUASVIL-JKSUJKDBSA-N 1 1 394.435 2.346 20 5 GEBDMO CC[N@H+]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000158186620 531769371 /nfs/dbraw/zinc/76/93/71/531769371.db2.gz QASNQAJCUHUOFM-UHFFFAOYSA-N 1 1 385.262 2.323 20 5 GEBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1cc([N+](=O)[O-])ccc1Br ZINC000129031637 532170576 /nfs/dbraw/zinc/17/05/76/532170576.db2.gz SUOPDPMDCCLMMA-CHWSQXEVSA-N 1 1 398.257 2.340 20 5 GEBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1cc([N+](=O)[O-])ccc1Br ZINC000129031637 532170580 /nfs/dbraw/zinc/17/05/80/532170580.db2.gz SUOPDPMDCCLMMA-CHWSQXEVSA-N 1 1 398.257 2.340 20 5 GEBDMO COCC[N@@H+](C)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000131969368 532207783 /nfs/dbraw/zinc/20/77/83/532207783.db2.gz IXSHAEMNELQFEB-UHFFFAOYSA-N 1 1 394.653 2.319 20 5 GEBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000183684877 532328039 /nfs/dbraw/zinc/32/80/39/532328039.db2.gz PRDKXGLCHVXQTF-ZDUSSCGKSA-N 1 1 387.889 2.255 20 5 GEBDMO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000589926415 532364970 /nfs/dbraw/zinc/36/49/70/532364970.db2.gz UTKUSIBKVPRDJQ-PELKAZGASA-N 1 1 380.253 2.226 20 5 GEBDMO C[N@H+]1C[C@H]2CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000589926415 532364979 /nfs/dbraw/zinc/36/49/79/532364979.db2.gz UTKUSIBKVPRDJQ-PELKAZGASA-N 1 1 380.253 2.226 20 5 GEBDMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000372766497 532408134 /nfs/dbraw/zinc/40/81/34/532408134.db2.gz MJEZVHNUSVDUGY-LSDHHAIUSA-N 1 1 398.257 2.029 20 5 GEBDMO C[NH+](C)Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1Br ZINC000467069471 532438156 /nfs/dbraw/zinc/43/81/56/532438156.db2.gz RFYZLTWRODLYNL-UHFFFAOYSA-N 1 1 382.218 2.254 20 5 GEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H](O)c1ccccc1Br ZINC000295458491 532449004 /nfs/dbraw/zinc/44/90/04/532449004.db2.gz XYOJRCFCVJJKFL-OAHLLOKOSA-N 1 1 396.241 2.184 20 5 GEBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCC[N@H+](CCCO)C1 ZINC000296418094 532520200 /nfs/dbraw/zinc/52/02/00/532520200.db2.gz LCPBUPNWUQRSKV-ZDUSSCGKSA-N 1 1 387.889 2.303 20 5 GEBDMO Cc1c(Br)c(N[C@@H](C)CCN2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000472683252 532579732 /nfs/dbraw/zinc/57/97/32/532579732.db2.gz LXKAAKWSVACATR-NSHDSACASA-N 1 1 386.294 2.499 20 5 GEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000284738437 532615481 /nfs/dbraw/zinc/61/54/81/532615481.db2.gz QIARHNCXMLPMFK-UHFFFAOYSA-N 1 1 386.246 2.118 20 5 GEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCCOCC1 ZINC000284738437 532615483 /nfs/dbraw/zinc/61/54/83/532615483.db2.gz QIARHNCXMLPMFK-UHFFFAOYSA-N 1 1 386.246 2.118 20 5 GEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H]2c2cccc(Br)c2)c1 ZINC000378642539 532700197 /nfs/dbraw/zinc/70/01/97/532700197.db2.gz GKIMILLMEVHIPS-LSDHHAIUSA-N 1 1 381.230 2.362 20 5 GEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H]2c2cccc(Br)c2)c1 ZINC000378642539 532700201 /nfs/dbraw/zinc/70/02/01/532700201.db2.gz GKIMILLMEVHIPS-LSDHHAIUSA-N 1 1 381.230 2.362 20 5 GEBDMO C[C@H]1CC[N@H+](C)CCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000500039420 532732213 /nfs/dbraw/zinc/73/22/13/532732213.db2.gz QCRPWGBEZMNRAM-JTQLQIEISA-N 1 1 392.275 2.072 20 5 GEBDMO C[C@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000500039420 532732219 /nfs/dbraw/zinc/73/22/19/532732219.db2.gz QCRPWGBEZMNRAM-JTQLQIEISA-N 1 1 392.275 2.072 20 5 GEBDMO C[C@H](Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000610909413 532719301 /nfs/dbraw/zinc/71/93/01/532719301.db2.gz INFBOXRMAHDBRS-BONVTDFDSA-N 1 1 395.257 2.458 20 5 GEBDMO C[C@H](Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000610909413 532719304 /nfs/dbraw/zinc/71/93/04/532719304.db2.gz INFBOXRMAHDBRS-BONVTDFDSA-N 1 1 395.257 2.458 20 5 GEBDMO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)[C@H]2C1 ZINC000286425913 532746316 /nfs/dbraw/zinc/74/63/16/532746316.db2.gz MPJAOOHNOIAVMW-SKDRFNHKSA-N 1 1 377.825 2.102 20 5 GEBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)[C@H]2C1 ZINC000286425913 532746321 /nfs/dbraw/zinc/74/63/21/532746321.db2.gz MPJAOOHNOIAVMW-SKDRFNHKSA-N 1 1 377.825 2.102 20 5 GEBDMO Cc1cc[nH+]c(N2CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)c1 ZINC000301941053 532762852 /nfs/dbraw/zinc/76/28/52/532762852.db2.gz VJJDODYUIVAUTE-UHFFFAOYSA-N 1 1 382.467 2.090 20 5 GEBDMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000331197338 532835564 /nfs/dbraw/zinc/83/55/64/532835564.db2.gz YVCXOEZAKPPGAD-NSHDSACASA-N 1 1 392.275 2.120 20 5 GEBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2C[C@H](O)C[C@H]2CO)cc1 ZINC000359974497 212129251 /nfs/dbraw/zinc/12/92/51/212129251.db2.gz OXHQZHBTZVUOBL-VQTJNVASSA-N 1 1 394.431 2.375 20 5 GEBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000332432759 532855193 /nfs/dbraw/zinc/85/51/93/532855193.db2.gz FNMRACJMBISMBR-UHFFFAOYSA-N 1 1 394.229 2.053 20 5 GEBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000416285191 532869652 /nfs/dbraw/zinc/86/96/52/532869652.db2.gz BUNYWWYZACYTLO-RYUDHWBXSA-N 1 1 387.889 2.254 20 5 GEBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000416285191 532869653 /nfs/dbraw/zinc/86/96/53/532869653.db2.gz BUNYWWYZACYTLO-RYUDHWBXSA-N 1 1 387.889 2.254 20 5 GEBDMO CC[N@@H+](CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000416392486 532875153 /nfs/dbraw/zinc/87/51/53/532875153.db2.gz UZIIMBKTIQXVHG-UHFFFAOYSA-N 1 1 381.376 2.376 20 5 GEBDMO O=[N+]([O-])c1nn(Cc2ccc(C[NH+]3CCOCC3)cc2)cc1Br ZINC000421845669 532890808 /nfs/dbraw/zinc/89/08/08/532890808.db2.gz QNQAXCQJIOARDT-UHFFFAOYSA-N 1 1 381.230 2.434 20 5 GEBDMO C[N@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C2)C1 ZINC000292819752 532918943 /nfs/dbraw/zinc/91/89/43/532918943.db2.gz NXOVRXVPYGODIO-OAHLLOKOSA-N 1 1 391.852 2.494 20 5 GEBDMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C[C@@H]2C1 ZINC000367718828 532926714 /nfs/dbraw/zinc/92/67/14/532926714.db2.gz GFBAESYHXLKVNF-DTORHVGOSA-N 1 1 380.253 2.084 20 5 GEBDMO O=[N+]([O-])c1ccc2nc(NC[C@H]3CC[N@H+](C4CC4)C3)cc(-c3nn[nH]n3)c2c1 ZINC000738366109 599273314 /nfs/dbraw/zinc/27/33/14/599273314.db2.gz CODYISVNDOGRQX-LLVKDONJSA-N 1 1 380.412 2.219 20 5 GEBDMO COc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000821846281 599465365 /nfs/dbraw/zinc/46/53/65/599465365.db2.gz PEKQMNYEJKRDRI-UHFFFAOYSA-N 1 1 395.423 2.106 20 5 GEBDMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1c1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821625255 599539461 /nfs/dbraw/zinc/53/94/61/599539461.db2.gz JJDYSTJIMSSSHG-DLBZAZTESA-N 1 1 394.439 2.386 20 5 GEBDMO COc1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1-c1nn[nH]n1 ZINC000826195164 607484959 /nfs/dbraw/zinc/48/49/59/607484959.db2.gz KCOCBHUWAZPYPX-UHFFFAOYSA-N 1 1 395.423 2.106 20 5 GEBDMO Cc1cc(N2CCC(Nc3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)nc(C)[nH+]1 ZINC000822207475 606102333 /nfs/dbraw/zinc/10/23/33/606102333.db2.gz XTZUFSKZBRHDPH-UHFFFAOYSA-N 1 1 395.427 2.263 20 5 GEBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820705543 606710497 /nfs/dbraw/zinc/71/04/97/606710497.db2.gz UZXGBYGEPSHVIU-KBPBESRZSA-N 1 1 386.460 2.261 20 5 GEBDMO O=C(CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)Nc1sccc1-c1nn[nH]n1 ZINC000826407300 607943064 /nfs/dbraw/zinc/94/30/64/607943064.db2.gz HWAQXJFOCQQDMJ-UHFFFAOYSA-N 1 1 399.436 2.223 20 5 GEBDMO O=C(CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)Nc1sccc1-c1nn[nH]n1 ZINC000826407300 607943065 /nfs/dbraw/zinc/94/30/65/607943065.db2.gz HWAQXJFOCQQDMJ-UHFFFAOYSA-N 1 1 399.436 2.223 20 5 GEBDMO CCC[N@H+]1CC[C@@H](CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000825328370 608372802 /nfs/dbraw/zinc/37/28/02/608372802.db2.gz QRZBZVWTZOFJCI-LBPRGKRZSA-N 1 1 382.428 2.467 20 5 GEBDMO Cc1ccc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1[N+](=O)[O-] ZINC000826287911 608502496 /nfs/dbraw/zinc/50/24/96/608502496.db2.gz JBUAANNGYQOBEU-UHFFFAOYSA-N 1 1 393.451 2.401 20 5 GEBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3cc[nH+]cc3Cl)CC2)c1 ZINC000267443754 645903019 /nfs/dbraw/zinc/90/30/19/645903019.db2.gz ZENDJRCJLSNFHH-UHFFFAOYSA-N 1 1 382.829 2.154 20 5 GEBDMO CS[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000274715082 646328485 /nfs/dbraw/zinc/32/84/85/646328485.db2.gz ZGNSQTKAYDMCFQ-HZPDHXFCSA-N 1 1 385.511 2.014 20 5 GEBDMO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000274928784 646334560 /nfs/dbraw/zinc/33/45/60/646334560.db2.gz QJURNYRPBFFDEV-NSHDSACASA-N 1 1 384.845 2.272 20 5 GEBDMO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000277672973 646459881 /nfs/dbraw/zinc/45/98/81/646459881.db2.gz GFTPXPMKRWVZEK-GFCCVEGCSA-N 1 1 391.877 2.027 20 5 GEBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301927102 647277320 /nfs/dbraw/zinc/27/73/20/647277320.db2.gz HZXVMALBHFVVMG-LLVKDONJSA-N 1 1 384.483 2.252 20 5 GEBDMO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416410163 648116398 /nfs/dbraw/zinc/11/63/98/648116398.db2.gz WTGNKWVULIAJTK-NSHDSACASA-N 1 1 381.376 2.328 20 5 GEBDMO CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416410163 648116404 /nfs/dbraw/zinc/11/64/04/648116404.db2.gz WTGNKWVULIAJTK-NSHDSACASA-N 1 1 381.376 2.328 20 5 GEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1c(I)cncc1[N+](=O)[O-] ZINC000418859421 648319169 /nfs/dbraw/zinc/31/91/69/648319169.db2.gz ATVALXVHTMOQEK-SNVBAGLBSA-N 1 1 390.225 2.372 20 5 GEBDMO NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000443861665 648889732 /nfs/dbraw/zinc/88/97/32/648889732.db2.gz LJVLHWRQTKGCLZ-GFCCVEGCSA-N 1 1 385.829 2.371 20 5 GEBDMO NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000443861665 648889734 /nfs/dbraw/zinc/88/97/34/648889734.db2.gz LJVLHWRQTKGCLZ-GFCCVEGCSA-N 1 1 385.829 2.371 20 5 GEBDMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000610572471 651671588 /nfs/dbraw/zinc/67/15/88/651671588.db2.gz IKGWJZSGZKJERX-HIFRSBDPSA-N 1 1 398.257 2.029 20 5 GEBDMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000578141190 652246733 /nfs/dbraw/zinc/24/67/33/652246733.db2.gz BRDWJNGACWHOMC-UHFFFAOYSA-N 1 1 380.202 2.043 20 5 GEBDMO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)CC1(CO)CC1 ZINC000579293485 652331190 /nfs/dbraw/zinc/33/11/90/652331190.db2.gz HVHOMZGYZKOYPH-UHFFFAOYSA-N 1 1 376.194 2.404 20 5 GEBDMO O=[N+]([O-])c1cc(I)cc(C[N@@H+](CCO)CC2CC2)c1 ZINC000583593285 652490957 /nfs/dbraw/zinc/49/09/57/652490957.db2.gz STTRNLSHRQJODX-UHFFFAOYSA-N 1 1 376.194 2.404 20 5 GEBDMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000584359444 652518285 /nfs/dbraw/zinc/51/82/85/652518285.db2.gz CCVZJVRQLXZPMA-UHFFFAOYSA-N 1 1 380.202 2.043 20 5 GEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)nc1 ZINC000593524890 652623831 /nfs/dbraw/zinc/62/38/31/652623831.db2.gz DNMZPNODVTVTFK-ZDUSSCGKSA-N 1 1 382.467 2.167 20 5 GEBDMO CCOCCC[N@H+]1CC[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000768834999 653129549 /nfs/dbraw/zinc/12/95/49/653129549.db2.gz PYPHYXUHTLRVCV-JSGCOSHPSA-N 1 1 391.515 2.072 20 5 GEBDMO O=[N+]([O-])c1sc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1Br ZINC000602460028 653183144 /nfs/dbraw/zinc/18/31/44/653183144.db2.gz RGDGTWMZUSYHDP-CHWSQXEVSA-N 1 1 390.303 2.450 20 5 GEBDMO C[C@H]1CCC[N@H+]1CCNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000807271214 653188512 /nfs/dbraw/zinc/18/85/12/653188512.db2.gz PAOQJOCFSQOHNR-LBPRGKRZSA-N 1 1 399.289 2.394 20 5 GEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](Oc3cncc(Br)c3)C2)n1 ZINC000602886070 653212715 /nfs/dbraw/zinc/21/27/15/653212715.db2.gz IUUUQVODAFRADI-LBPRGKRZSA-N 1 1 382.218 2.102 20 5 GEBDMO Cc1nn(C[N@H+](C)CCn2cc(Br)cn2)c2ncc([N+](=O)[O-])cc12 ZINC000808242916 653223655 /nfs/dbraw/zinc/22/36/55/653223655.db2.gz PMPCUOJBICBCJF-UHFFFAOYSA-N 1 1 394.233 2.196 20 5 GEBDMO Cc1nn(C[N@@H+](C)CCn2cc(Br)cn2)c2ncc([N+](=O)[O-])cc12 ZINC000808242916 653223657 /nfs/dbraw/zinc/22/36/57/653223657.db2.gz PMPCUOJBICBCJF-UHFFFAOYSA-N 1 1 394.233 2.196 20 5 GEBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000774438362 653237280 /nfs/dbraw/zinc/23/72/80/653237280.db2.gz VRUPTHQOPNUWAL-NSHDSACASA-N 1 1 385.262 2.460 20 5 GEBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)cc1Cl ZINC000809809823 653297251 /nfs/dbraw/zinc/29/72/51/653297251.db2.gz AVSIVIUOKAMGHD-MRVPVSSYSA-N 1 1 380.253 2.417 20 5 GEBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)cc1Cl ZINC000809809823 653297260 /nfs/dbraw/zinc/29/72/60/653297260.db2.gz AVSIVIUOKAMGHD-MRVPVSSYSA-N 1 1 380.253 2.417 20 5 GEBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c(Cl)cc1Cl ZINC000809809824 653297311 /nfs/dbraw/zinc/29/73/11/653297311.db2.gz AVSIVIUOKAMGHD-QMMMGPOBSA-N 1 1 380.253 2.417 20 5 GEBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)c(Cl)cc1Cl ZINC000809809824 653297314 /nfs/dbraw/zinc/29/73/14/653297314.db2.gz AVSIVIUOKAMGHD-QMMMGPOBSA-N 1 1 380.253 2.417 20 5 GEBDMO CCN(CC)C(=O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000810135293 653327835 /nfs/dbraw/zinc/32/78/35/653327835.db2.gz LDLQNDRSLDCBHY-UHFFFAOYSA-N 1 1 391.209 2.157 20 5 GEBDMO C[C@H]1CCC[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000780865725 653633919 /nfs/dbraw/zinc/63/39/19/653633919.db2.gz CCSIDDZLFLUSJJ-JTQLQIEISA-N 1 1 392.275 2.120 20 5 GEBDMO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000815018575 653643839 /nfs/dbraw/zinc/64/38/39/653643839.db2.gz UGHXGZUQQSFILI-VHSXEESVSA-N 1 1 379.841 2.491 20 5 GEBDMO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000817150610 653704508 /nfs/dbraw/zinc/70/45/08/653704508.db2.gz MEBFJQMIFNMUDC-JTQLQIEISA-N 1 1 392.275 2.072 20 5 GEBDMO O=[N+]([O-])c1c(Br)cc(F)cc1N1CC[NH+](CCCCO)CC1 ZINC000882013319 653757107 /nfs/dbraw/zinc/75/71/07/653757107.db2.gz ZAMSVBULPUZMPO-UHFFFAOYSA-N 1 1 376.226 2.391 20 5 GEBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000882485033 653784518 /nfs/dbraw/zinc/78/45/18/653784518.db2.gz FBMDHXBVLQIMEF-JTQLQIEISA-N 1 1 389.193 2.023 20 5 GEBDMO Cc1c(Br)c(N2CCC(N3CC[NH+](C)CC3)CC2)ncc1[N+](=O)[O-] ZINC000866212531 653788829 /nfs/dbraw/zinc/78/88/29/653788829.db2.gz LJTZGZYMTQHJAT-UHFFFAOYSA-N 1 1 398.305 2.277 20 5 GEBDMO CN(CC[NH+]1CC2(C1)CCOCC2)c1ncc([N+](=O)[O-])cc1Br ZINC000866257792 653789552 /nfs/dbraw/zinc/78/95/52/653789552.db2.gz LVBFLYOIDKCSAA-UHFFFAOYSA-N 1 1 385.262 2.301 20 5 GEBDMO COC(=O)[C@]12C[N@@H+](Cc3c(Br)cccc3[N+](=O)[O-])C[C@H]1COCC2 ZINC000793344338 653875827 /nfs/dbraw/zinc/87/58/27/653875827.db2.gz SCRXKKDVVXPTFI-MEDUHNTESA-N 1 1 399.241 2.369 20 5 GEBDMO CN([C@@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000867424527 653931070 /nfs/dbraw/zinc/93/10/70/653931070.db2.gz QNGSHBAUXCFIAJ-CYBMUJFWSA-N 1 1 377.825 2.102 20 5 GEBDMO C[N@H+]1CC[C@H]2CN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827233652 653982082 /nfs/dbraw/zinc/98/20/82/653982082.db2.gz QWBHKRJWXDBFEN-JSGCOSHPSA-N 1 1 382.258 2.452 20 5 GEBDMO C[N@H+]1CC[C@]2(CCN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)C2)C1 ZINC000868534952 654042253 /nfs/dbraw/zinc/04/22/53/654042253.db2.gz NRCSFAPADDHSGI-INIZCTEOSA-N 1 1 382.258 2.454 20 5 GEBDMO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000851821291 654183350 /nfs/dbraw/zinc/18/33/50/654183350.db2.gz QFFMIGANEWSMCP-JTQLQIEISA-N 1 1 392.275 2.120 20 5 GEBDMO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000872665519 654387951 /nfs/dbraw/zinc/38/79/51/654387951.db2.gz ZXHGHWUCFCOLIC-RYUDHWBXSA-N 1 1 377.825 2.245 20 5 GEBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000872665519 654387953 /nfs/dbraw/zinc/38/79/53/654387953.db2.gz ZXHGHWUCFCOLIC-RYUDHWBXSA-N 1 1 377.825 2.245 20 5 GEBDMO CCN(C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000855361559 654415036 /nfs/dbraw/zinc/41/50/36/654415036.db2.gz WMERTTCYGXJDDG-ZDUSSCGKSA-N 1 1 399.289 2.346 20 5 GEBDMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1cc([N+](=O)[O-])ccc1Br ZINC000906442268 654437655 /nfs/dbraw/zinc/43/76/55/654437655.db2.gz YRAZJKDUFFZNDL-CYBMUJFWSA-N 1 1 398.257 2.340 20 5 GEBDMO O=C1CC2(CCOCC2)[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])CCN1 ZINC000931537691 654745851 /nfs/dbraw/zinc/74/58/51/654745851.db2.gz NUPUWXPXNOYWMC-UHFFFAOYSA-N 1 1 398.257 2.228 20 5 GEBDMO O=C1CC2(CCOCC2)[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])CCN1 ZINC000931537691 654745854 /nfs/dbraw/zinc/74/58/54/654745854.db2.gz NUPUWXPXNOYWMC-UHFFFAOYSA-N 1 1 398.257 2.228 20 5 GEBDMO