smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(Br)cc1N1CCC([NH2+]CC2CC2)CC1 ZINC000133711489 700840789 /nfs/dbraw/zinc/84/07/89/700840789.db2.gz HPOHCOYOIRGOFW-UHFFFAOYSA-N 1 0 354.248 3.326 10 5 FGBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000177506254 705625361 /nfs/dbraw/zinc/62/53/61/705625361.db2.gz FLXZNPWBUZFBCH-CHWSQXEVSA-N 1 0 352.822 3.339 10 5 FGBERO O=[N+]([O-])c1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)ccc1Br ZINC000252703555 713673722 /nfs/dbraw/zinc/67/37/22/713673722.db2.gz KJJJJELWVOTMOF-ZDUSSCGKSA-N 1 0 354.248 3.027 10 5 FGBERO O=[N+]([O-])c1ccc(Br)cc1NC[C@@H]1C[NH2+]CCC1(F)F ZINC000717018545 722417323 /nfs/dbraw/zinc/41/73/23/722417323.db2.gz ZSFZARZVRFNORY-QMMMGPOBSA-N 1 0 350.163 3.014 10 5 FGBERO CC[NH+](CC)[C@@H](C)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051343365 493963826 /nfs/dbraw/zinc/96/38/26/493963826.db2.gz JKOXKUPOIDLVOH-LBPRGKRZSA-N 1 0 362.455 3.178 10 5 FGBERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000119331549 495143584 /nfs/dbraw/zinc/14/35/84/495143584.db2.gz YBXNWQZOPZIQOS-SFHVURJKSA-N 1 0 367.409 3.419 10 5 FGBERO CC(C)C[N@@H+]1CCC[C@@H]1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000130756911 495440387 /nfs/dbraw/zinc/44/03/87/495440387.db2.gz IPUGVPILAPTFIH-LJQANCHMSA-N 1 0 371.485 3.205 10 5 FGBERO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160389927 495951944 /nfs/dbraw/zinc/95/19/44/495951944.db2.gz FCALYHIDQUMIRM-CYBMUJFWSA-N 1 0 351.472 3.167 10 5 FGBERO CCn1cc(C2CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000160457824 495967830 /nfs/dbraw/zinc/96/78/30/495967830.db2.gz ATWHIKQIQYFWJU-UHFFFAOYSA-N 1 0 371.441 3.019 10 5 FGBERO CC[C@@H]([NH2+]Cc1cc(=O)n2cccc(C)c2n1)c1cccc([N+](=O)[O-])c1 ZINC000181563788 496448027 /nfs/dbraw/zinc/44/80/27/496448027.db2.gz NIEHORCBJIPSPM-QGZVFWFLSA-N 1 0 352.394 3.152 10 5 FGBERO O=[N+]([O-])c1cc(Br)ccc1N1CCC([NH2+]CC2CC2)CC1 ZINC000157937121 496589949 /nfs/dbraw/zinc/58/99/49/496589949.db2.gz FTBWJTSDMFXBDE-UHFFFAOYSA-N 1 0 354.248 3.326 10 5 FGBERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190465058 497489472 /nfs/dbraw/zinc/48/94/72/497489472.db2.gz UIPXRBXXFFLQGK-INIZCTEOSA-N 1 0 360.483 3.314 10 5 FGBERO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1N1CCOCC1 ZINC000245724687 497517075 /nfs/dbraw/zinc/51/70/75/497517075.db2.gz IOVULFYDTAXKFU-DNVCBOLYSA-N 1 0 371.437 3.007 10 5 FGBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000434646240 500872579 /nfs/dbraw/zinc/87/25/79/500872579.db2.gz PDGWHUKLZHKIGG-NVAPOSRTSA-N 1 0 366.465 3.457 10 5 FGBERO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH2+]CCC2(F)F)c(Br)c1 ZINC000717009487 722417378 /nfs/dbraw/zinc/41/73/78/722417378.db2.gz FRVUGRUESPYQRR-QMMMGPOBSA-N 1 0 350.163 3.014 10 5 FGBERO COc1cc2c3c4c1OCc1c5c(cc(c1-4)C[C@H]3[N+](C)(C)CC2)OCO5 ZINC000006519793 204252052 /nfs/dbraw/zinc/25/20/52/204252052.db2.gz CIRTUANNSSIDGZ-CQSZACIVSA-N 1 0 352.410 3.213 10 5 FGBERO CC1(C)CC(Nc2ncnc(Oc3cccnc3)c2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000040645256 205075159 /nfs/dbraw/zinc/07/51/59/205075159.db2.gz IKHOZQAKPLGFKI-UHFFFAOYSA-N 1 0 372.429 3.293 10 5 FGBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000190447117 257368391 /nfs/dbraw/zinc/36/83/91/257368391.db2.gz MMVISQUSLICZLK-AWEZNQCLSA-N 1 0 362.380 3.226 10 5 FGBERO CC[C@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000090068424 494436113 /nfs/dbraw/zinc/43/61/13/494436113.db2.gz UJGBVFCWEHPNBG-UGSOOPFHSA-N 1 0 359.401 3.480 10 5 FGBERO CC[C@H]([NH2+][C@@H](C)C(=O)NCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090068787 494436157 /nfs/dbraw/zinc/43/61/57/494436157.db2.gz VMOGSUHXLRGVGN-UGSOOPFHSA-N 1 0 359.401 3.480 10 5 FGBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080080700 494588923 /nfs/dbraw/zinc/58/89/23/494588923.db2.gz ZIKCUUBIOOCBOG-HNNXBMFYSA-N 1 0 350.463 3.105 10 5 FGBERO CC(C)[N@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000131979404 494790378 /nfs/dbraw/zinc/79/03/78/494790378.db2.gz NNDSMIOFPMRBQU-HZMBPMFUSA-N 1 0 359.348 3.072 10 5 FGBERO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000026712997 494834783 /nfs/dbraw/zinc/83/47/83/494834783.db2.gz PXVCSVPMXZEDPV-BLLLJJGKSA-N 1 0 350.802 3.339 10 5 FGBERO Cn1cc([C@@H]2CC[N@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)cn1 ZINC000128364155 495086016 /nfs/dbraw/zinc/08/60/16/495086016.db2.gz MSBMVPIKTCXTDS-CQSZACIVSA-N 1 0 369.450 3.441 10 5 FGBERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000104681888 495296237 /nfs/dbraw/zinc/29/62/37/495296237.db2.gz AOHBJFQEOBLJSP-HNNXBMFYSA-N 1 0 373.457 3.373 10 5 FGBERO CCc1nccn1[C@@H]1CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173699159 495652946 /nfs/dbraw/zinc/65/29/46/495652946.db2.gz UBTVNPIMDIPVMK-OAHLLOKOSA-N 1 0 374.441 3.078 10 5 FGBERO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000180865305 496176561 /nfs/dbraw/zinc/17/65/61/496176561.db2.gz PHYLIHXKVOXIRX-CYBMUJFWSA-N 1 0 373.409 3.210 10 5 FGBERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190465030 497490161 /nfs/dbraw/zinc/49/01/61/497490161.db2.gz LETNHBQMSYCHCJ-MRXNPFEDSA-N 1 0 360.483 3.314 10 5 FGBERO C[C@@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000262099508 497508962 /nfs/dbraw/zinc/50/89/62/497508962.db2.gz IREDLCNRHKQIHV-SKDRFNHKSA-N 1 0 365.231 3.079 10 5 FGBERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000246891751 497818977 /nfs/dbraw/zinc/81/89/77/497818977.db2.gz FDPUERUDHMYVGZ-MAUKXSAKSA-N 1 0 362.474 3.419 10 5 FGBERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302059086 498389504 /nfs/dbraw/zinc/38/95/04/498389504.db2.gz RIGZKHAQQUXISX-MAUKXSAKSA-N 1 0 355.438 3.410 10 5 FGBERO NC(=O)c1ccc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000379670950 499542596 /nfs/dbraw/zinc/54/25/96/499542596.db2.gz KDVGEWMSWZDUIC-QGZVFWFLSA-N 1 0 368.437 3.160 10 5 FGBERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000310993501 713801640 /nfs/dbraw/zinc/80/16/40/713801640.db2.gz IFFLFDLICSLATI-ZDUSSCGKSA-N 1 0 361.829 3.499 10 5 FGBERO CC[C@@H](NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000119597109 495198215 /nfs/dbraw/zinc/19/82/15/495198215.db2.gz DXMUCMDMTCMBEB-CZUORRHYSA-N 1 0 350.463 3.321 10 5 FGBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000171640834 495960592 /nfs/dbraw/zinc/96/05/92/495960592.db2.gz GNDLNCHUWLPVBH-INIZCTEOSA-N 1 0 356.426 3.193 10 5 FGBERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000181248520 496327196 /nfs/dbraw/zinc/32/71/96/496327196.db2.gz DEALPLVFBHHNTO-CYBMUJFWSA-N 1 0 351.472 3.309 10 5 FGBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190480580 497498290 /nfs/dbraw/zinc/49/82/90/497498290.db2.gz PDGWHUKLZHKIGG-MEQKGCOVSA-N 1 0 366.465 3.457 10 5 FGBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245954042 497583380 /nfs/dbraw/zinc/58/33/80/497583380.db2.gz CJMSPLQQXWUYTD-WMZOPIPTSA-N 1 0 356.426 3.308 10 5 FGBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000246515608 497760009 /nfs/dbraw/zinc/76/00/09/497760009.db2.gz TXSFATMBODWCPT-ZWNOBZJWSA-N 1 0 372.372 3.046 10 5 FGBERO C[C@@H]1C[C@H](CNc2cc(CO)ccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000302016581 498369279 /nfs/dbraw/zinc/36/92/79/498369279.db2.gz CLSYWFJZIWQWLR-CRAIPNDOSA-N 1 0 355.438 3.410 10 5 FGBERO Cc1ccc(Sc2ccc(C(=O)N[C@@H]3CC[NH2+]C3)cc2[N+](=O)[O-])cc1 ZINC000125925819 700741426 /nfs/dbraw/zinc/74/14/26/700741426.db2.gz CVAXYBWDRKTXFX-CQSZACIVSA-N 1 0 357.435 3.146 10 5 FGBERO CC[C@@H]([NH2+][C@H](Cc1ccc(Cl)cc1)C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000185943778 712705499 /nfs/dbraw/zinc/70/54/99/712705499.db2.gz YWELECIRAPWSJR-IAGOWNOFSA-N 1 0 361.829 3.386 10 5 FGBERO CC[NH2+]CCCNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000038043501 204786703 /nfs/dbraw/zinc/78/67/03/204786703.db2.gz SFZKJYCKAYYVHB-UHFFFAOYSA-N 1 0 353.220 3.317 10 5 FGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116290307 494754068 /nfs/dbraw/zinc/75/40/68/494754068.db2.gz HYUYHPLKRCPWLD-HNNXBMFYSA-N 1 0 359.382 3.362 10 5 FGBERO O=[N+]([O-])c1cnc(Nc2cnn(CC[NH+]3CCCCC3)c2)c(Cl)c1 ZINC000092978355 494800721 /nfs/dbraw/zinc/80/07/21/494800721.db2.gz LHXDNYSEGUJRBW-UHFFFAOYSA-N 1 0 350.810 3.069 10 5 FGBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](Cn4cncn4)C3)o2)cc1 ZINC000128622276 495125313 /nfs/dbraw/zinc/12/53/13/495125313.db2.gz IOTXKRDICBYUPK-OAHLLOKOSA-N 1 0 367.409 3.359 10 5 FGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000182749257 495688120 /nfs/dbraw/zinc/68/81/20/495688120.db2.gz FADARTIZQMPRDF-DOTOQJQBSA-N 1 0 355.442 3.355 10 5 FGBERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C12CCOCC2 ZINC000186306873 495940620 /nfs/dbraw/zinc/94/06/20/495940620.db2.gz JITSFSOHUMCNND-ZYSHUDEJSA-N 1 0 362.470 3.480 10 5 FGBERO CC[C@H]([NH2+]C[C@H](O)COCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000181550637 496442139 /nfs/dbraw/zinc/44/21/39/496442139.db2.gz VZJWPRUBTSBBEZ-RDJZCZTQSA-N 1 0 350.440 3.275 10 5 FGBERO CC[C@@H]([NH2+][C@H](C)C(=O)NCc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000178675287 496537131 /nfs/dbraw/zinc/53/71/31/496537131.db2.gz VTFNTQWJXQACIJ-AUUYWEPGSA-N 1 0 371.437 3.349 10 5 FGBERO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000181786247 496544488 /nfs/dbraw/zinc/54/44/88/496544488.db2.gz SGZUFAVWAABKPN-GFCCVEGCSA-N 1 0 372.347 3.316 10 5 FGBERO Cc1c(Br)c(N2CCC([NH2+]CC3CC3)CC2)ncc1[N+](=O)[O-] ZINC000262355172 497544524 /nfs/dbraw/zinc/54/45/24/497544524.db2.gz VQMHURTVKIYJQR-UHFFFAOYSA-N 1 0 369.263 3.029 10 5 FGBERO C[C@H]1CCC[C@](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000301090415 497946687 /nfs/dbraw/zinc/94/66/87/497946687.db2.gz NRIFOLVQWRPVOG-SGTLLEGYSA-N 1 0 359.430 3.166 10 5 FGBERO O=[N+]([O-])c1ccc(Br)cc1N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000301692713 498227274 /nfs/dbraw/zinc/22/72/74/498227274.db2.gz XIBBJRUKUGHGPH-FPMFFAJLSA-N 1 0 366.259 3.278 10 5 FGBERO C[C@@H]1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000302021818 498372164 /nfs/dbraw/zinc/37/21/64/498372164.db2.gz FUBVYCWWQTZUFL-MRXNPFEDSA-N 1 0 355.438 3.188 10 5 FGBERO CCc1nn(C)c(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC000302192777 498437055 /nfs/dbraw/zinc/43/70/55/498437055.db2.gz WGANRVPJNYLNPT-XYJFISCASA-N 1 0 369.469 3.213 10 5 FGBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000123022086 700699124 /nfs/dbraw/zinc/69/91/24/700699124.db2.gz XNDBFRHJFMRQJJ-DGCLKSJQSA-N 1 0 354.248 3.026 10 5 FGBERO C[N+](C)(C)CCN1c2ccc(Cl)cc2C(c2ccccc2)=NCC1=O ZINC000006068091 717103808 /nfs/dbraw/zinc/10/38/08/717103808.db2.gz DQIBMRGQGYVLCT-UHFFFAOYSA-N 1 0 356.877 3.230 10 5 FGBERO C[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)N1CCOCC1 ZINC000102420671 257350510 /nfs/dbraw/zinc/35/05/10/257350510.db2.gz KXAMRZLPECPABH-AWEZNQCLSA-N 1 0 361.467 3.134 10 5 FGBERO CC[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090618557 494488264 /nfs/dbraw/zinc/48/82/64/494488264.db2.gz DYKKALOUIIWXLU-PVARCSIZSA-N 1 0 362.474 3.466 10 5 FGBERO CCc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000120438124 495377840 /nfs/dbraw/zinc/37/78/40/495377840.db2.gz MUZDWZAQCPPSCA-CYBMUJFWSA-N 1 0 357.410 3.455 10 5 FGBERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000180500098 496022698 /nfs/dbraw/zinc/02/26/98/496022698.db2.gz RRIQCGQCALITSB-KGLIPLIRSA-N 1 0 361.467 3.305 10 5 FGBERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC2 ZINC000180639330 496081661 /nfs/dbraw/zinc/08/16/61/496081661.db2.gz CBUOUDWGVKVHJR-IRXDYDNUSA-N 1 0 369.469 3.235 10 5 FGBERO CC[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000178677480 496536240 /nfs/dbraw/zinc/53/62/40/496536240.db2.gz UJGBVFCWEHPNBG-SCLBCKFNSA-N 1 0 359.401 3.480 10 5 FGBERO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000153792109 496582366 /nfs/dbraw/zinc/58/23/66/496582366.db2.gz NYVIMPGLFMPFBH-CQSZACIVSA-N 1 0 361.833 3.139 10 5 FGBERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000192984729 497267382 /nfs/dbraw/zinc/26/73/82/497267382.db2.gz HXIKZVKTYHRGJN-YOEHRIQHSA-N 1 0 355.442 3.292 10 5 FGBERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000193089234 497299906 /nfs/dbraw/zinc/29/99/06/497299906.db2.gz NHOHNCGNZQNTDU-PBHICJAKSA-N 1 0 355.442 3.292 10 5 FGBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245954038 497583550 /nfs/dbraw/zinc/58/35/50/497583550.db2.gz CJMSPLQQXWUYTD-AEFFLSMTSA-N 1 0 356.426 3.308 10 5 FGBERO C[C@H]1CCC[C@@](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000301090413 497946877 /nfs/dbraw/zinc/94/68/77/497946877.db2.gz NRIFOLVQWRPVOG-KPZWWZAWSA-N 1 0 359.430 3.166 10 5 FGBERO Cc1cc(N(C)CC2CC[NH+](C)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301202391 497996781 /nfs/dbraw/zinc/99/67/81/497996781.db2.gz PZEFKSURGTYMHK-UHFFFAOYSA-N 1 0 355.442 3.138 10 5 FGBERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000182098834 705825706 /nfs/dbraw/zinc/82/57/06/705825706.db2.gz ZBOVSUPFSBOPCF-ZDUSSCGKSA-N 1 0 361.829 3.499 10 5 FGBERO COc1ccc2c(c1OC)C[N@+]1(C)CCc3cc4c(cc3[C@@H]1C2)OCO4 ZINC000250846557 717165424 /nfs/dbraw/zinc/16/54/24/717165424.db2.gz IPABSWBNWMXCHM-JTSKRJEESA-N 1 0 354.426 3.233 10 5 in-vitro FGBERO C[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)N1CCOCC1 ZINC000102420689 257350774 /nfs/dbraw/zinc/35/07/74/257350774.db2.gz FPGWZMKFBMYCRC-CQSZACIVSA-N 1 0 361.467 3.134 10 5 FGBERO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000046170941 494500513 /nfs/dbraw/zinc/50/05/13/494500513.db2.gz MNQGTJNQXQEECC-CHWSQXEVSA-N 1 0 371.393 3.044 10 5 FGBERO CCOCC[N@@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@H]1CC ZINC000112080448 495142630 /nfs/dbraw/zinc/14/26/30/495142630.db2.gz FQEKKYKJXOHATK-OAHLLOKOSA-N 1 0 358.442 3.080 10 5 FGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000106182475 495426520 /nfs/dbraw/zinc/42/65/20/495426520.db2.gz YRCMSIWIJYLJRN-UHFFFAOYSA-N 1 0 358.442 3.491 10 5 FGBERO CCc1nccn1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000106217575 495435931 /nfs/dbraw/zinc/43/59/31/495435931.db2.gz IBMQFOAYOJHYDW-QGZVFWFLSA-N 1 0 371.441 3.019 10 5 FGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000185654960 495664395 /nfs/dbraw/zinc/66/43/95/495664395.db2.gz LWCHCFVKNFTANP-QZTJIDSGSA-N 1 0 364.442 3.057 10 5 FGBERO CC[C@@H]([NH2+]C[C@@H](O)COc1cccc(C(C)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000181541535 496438416 /nfs/dbraw/zinc/43/84/16/496438416.db2.gz AYPNKCXSOLXWFS-UYAOXDASSA-N 1 0 372.421 3.278 10 5 FGBERO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000178673328 496537106 /nfs/dbraw/zinc/53/71/06/496537106.db2.gz GOZVMCPWVTWCGT-WBMJQRKESA-N 1 0 371.393 3.391 10 5 FGBERO Cc1c(CN2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000195297329 496879507 /nfs/dbraw/zinc/87/95/07/496879507.db2.gz VSOBBJBKEHEZTH-SFHVURJKSA-N 1 0 354.454 3.252 10 5 FGBERO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000245855735 497550942 /nfs/dbraw/zinc/55/09/42/497550942.db2.gz NNAFTDDWGYILNM-JKSUJKDBSA-N 1 0 370.453 3.476 10 5 FGBERO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)c(Cl)c1 ZINC000182405970 705839537 /nfs/dbraw/zinc/83/95/37/705839537.db2.gz LIKMIHLMEAPKOZ-WCQYABFASA-N 1 0 368.792 3.478 10 5 FGBERO CC[C@H]([NH2+][C@H](Cc1ccc(Cl)cc1)C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000185943759 712705475 /nfs/dbraw/zinc/70/54/75/712705475.db2.gz YWELECIRAPWSJR-DLBZAZTESA-N 1 0 361.829 3.386 10 5 FGBERO C[NH+](C)C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000007817215 494045827 /nfs/dbraw/zinc/04/58/27/494045827.db2.gz MHWLGHIOZOCSTQ-QGZVFWFLSA-N 1 0 359.451 3.106 10 5 FGBERO CC[C@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000090068386 494435792 /nfs/dbraw/zinc/43/57/92/494435792.db2.gz LITQASOURFNFQJ-KSSFIOAISA-N 1 0 371.437 3.349 10 5 FGBERO CC[C@@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000151792113 495949043 /nfs/dbraw/zinc/94/90/43/495949043.db2.gz LAGRPFCNAWRBHM-LEWJYISDSA-N 1 0 369.465 3.055 10 5 FGBERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C12CCOCC2 ZINC000186509355 496025281 /nfs/dbraw/zinc/02/52/81/496025281.db2.gz CMWPSBBVBJGNSR-JKSUJKDBSA-N 1 0 354.834 3.312 10 5 FGBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000195296310 496879660 /nfs/dbraw/zinc/87/96/60/496879660.db2.gz OJLLNXQUUSORSA-MRXNPFEDSA-N 1 0 358.417 3.083 10 5 FGBERO Cc1c(Br)c(N2CCC([C@H]3CCC[NH2+]3)CC2)ncc1[N+](=O)[O-] ZINC000262054381 497499890 /nfs/dbraw/zinc/49/98/90/497499890.db2.gz DEPFDISRMXYHDZ-GFCCVEGCSA-N 1 0 369.263 3.029 10 5 FGBERO [NH3+]C[C@@H]1CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000261853308 713715173 /nfs/dbraw/zinc/71/51/73/713715173.db2.gz DVUZOGUYYRXWBJ-JTQLQIEISA-N 1 0 365.231 3.081 10 5 FGBERO O=[N+]([O-])c1nccn1CCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000008464947 204332735 /nfs/dbraw/zinc/33/27/35/204332735.db2.gz MVJAYDNDKKEHSU-UHFFFAOYSA-N 1 0 351.410 3.142 10 5 FGBERO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000046170935 494500537 /nfs/dbraw/zinc/50/05/37/494500537.db2.gz MNQGTJNQXQEECC-STQMWFEESA-N 1 0 371.393 3.044 10 5 FGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116290304 494753238 /nfs/dbraw/zinc/75/32/38/494753238.db2.gz HYUYHPLKRCPWLD-OAHLLOKOSA-N 1 0 359.382 3.362 10 5 FGBERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047865593 494784248 /nfs/dbraw/zinc/78/42/48/494784248.db2.gz HIJYRBKCWOHLIO-JTQLQIEISA-N 1 0 360.361 3.048 10 5 FGBERO Cc1cnn([C@@H]2CCC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000106225587 495438901 /nfs/dbraw/zinc/43/89/01/495438901.db2.gz PBRCXLHLJVZPIN-QGZVFWFLSA-N 1 0 371.441 3.074 10 5 FGBERO C[NH+](C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000170866006 495632661 /nfs/dbraw/zinc/63/26/61/495632661.db2.gz JQFSINZAAPXRES-HNNXBMFYSA-N 1 0 355.394 3.163 10 5 FGBERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000179708225 495699555 /nfs/dbraw/zinc/69/95/55/495699555.db2.gz PMROAQSHPBHBPE-ZDUSSCGKSA-N 1 0 361.829 3.499 10 5 FGBERO CC1(C)CCc2ccccc2[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000183131884 495847941 /nfs/dbraw/zinc/84/79/41/495847941.db2.gz XCOUXCCKBSGRSG-GOSISDBHSA-N 1 0 353.422 3.497 10 5 FGBERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C12CCOCC2 ZINC000186306914 495940636 /nfs/dbraw/zinc/94/06/36/495940636.db2.gz JITSFSOHUMCNND-KFKAGJAMSA-N 1 0 362.470 3.480 10 5 FGBERO CCO[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C12CCOCC2 ZINC000186418810 495990938 /nfs/dbraw/zinc/99/09/38/495990938.db2.gz RYLBTQBFIQMRRH-CVEARBPZSA-N 1 0 354.834 3.312 10 5 FGBERO CC[C@H]([NH2+]CC(=O)Nc1ccc(OC)cc1OC)c1cccc([N+](=O)[O-])c1 ZINC000181526728 496432468 /nfs/dbraw/zinc/43/24/68/496432468.db2.gz RXORKCQZMMGUTB-INIZCTEOSA-N 1 0 373.409 3.291 10 5 FGBERO CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000153868848 496607655 /nfs/dbraw/zinc/60/76/55/496607655.db2.gz HRHXZDNKPQYUGB-CQSZACIVSA-N 1 0 359.451 3.424 10 5 FGBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000248393324 496993174 /nfs/dbraw/zinc/99/31/74/496993174.db2.gz LOCNYMMDKLAWEG-AOIWGVFYSA-N 1 0 359.470 3.249 10 5 FGBERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000252661453 497317217 /nfs/dbraw/zinc/31/72/17/497317217.db2.gz KMXLGPWYBBTNGV-AAEUAGOBSA-N 1 0 354.248 3.420 10 5 FGBERO Nc1ccc([N+](=O)[O-])c(NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1 ZINC000193411321 497374279 /nfs/dbraw/zinc/37/42/79/497374279.db2.gz ADJVUCHGKVVQOY-HXUWFJFHSA-N 1 0 370.453 3.035 10 5 FGBERO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1C(N)=O)c1ccc(Cl)cc1 ZINC000301485328 498131347 /nfs/dbraw/zinc/13/13/47/498131347.db2.gz WLIHZMRLKZKUSR-INIZCTEOSA-N 1 0 362.817 3.062 10 5 FGBERO COCC[NH+]1CCC(CNc2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000301991482 498359508 /nfs/dbraw/zinc/35/95/08/498359508.db2.gz GASWPXFUNRDHPX-UHFFFAOYSA-N 1 0 358.442 3.222 10 5 FGBERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000182082982 705824988 /nfs/dbraw/zinc/82/49/88/705824988.db2.gz VKZRFOVEPREHMW-ZDUSSCGKSA-N 1 0 361.829 3.499 10 5 FGBERO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000183022832 705874442 /nfs/dbraw/zinc/87/44/42/705874442.db2.gz NQHIIAAMATXGQL-MNOVXSKESA-N 1 0 356.831 3.400 10 5 FGBERO C[C@H]([NH3+])[C@@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000262368655 713724177 /nfs/dbraw/zinc/72/41/77/713724177.db2.gz XGYBWDPKDKGYFL-VHSXEESVSA-N 1 0 365.231 3.079 10 5 FGBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000068223138 493781372 /nfs/dbraw/zinc/78/13/72/493781372.db2.gz XHTQDZCIFUPUFN-KBPBESRZSA-N 1 0 353.488 3.168 10 5 FGBERO CC[C@H]([NH2+][C@H](C)C(=O)NCc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000090068401 494435964 /nfs/dbraw/zinc/43/59/64/494435964.db2.gz VTFNTQWJXQACIJ-KUHUBIRLSA-N 1 0 371.437 3.349 10 5 FGBERO CC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090560708 494482004 /nfs/dbraw/zinc/48/20/04/494482004.db2.gz UCSBGIAOVPNJME-YJBOKZPZSA-N 1 0 362.474 3.466 10 5 FGBERO C[NH+](C)C[C@H]1CN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000108951683 494809612 /nfs/dbraw/zinc/80/96/12/494809612.db2.gz MCJOKBSNUOVUCY-VIFPVBQESA-N 1 0 367.755 3.034 10 5 FGBERO C[NH+](C)C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000117583916 494933617 /nfs/dbraw/zinc/93/36/17/494933617.db2.gz MTNGQTAFIXHSHZ-KRWDZBQOSA-N 1 0 361.829 3.210 10 5 FGBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000248393328 496992623 /nfs/dbraw/zinc/99/26/23/496992623.db2.gz LOCNYMMDKLAWEG-ZHALLVOQSA-N 1 0 359.470 3.249 10 5 FGBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000245429402 497400723 /nfs/dbraw/zinc/40/07/23/497400723.db2.gz KJGQQQMUGNREBJ-ZFWWWQNUSA-N 1 0 351.472 3.018 10 5 FGBERO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)c(Cl)c1 ZINC000180730818 705755160 /nfs/dbraw/zinc/75/51/60/705755160.db2.gz JZVSUFMLQIMEAH-RISCZKNCSA-N 1 0 368.792 3.478 10 5 FGBERO COc1ccc(C[C@H]2c3cc(OC)c(O)cc3CC[N+]2(C)C)cc1OC ZINC000006068292 717104606 /nfs/dbraw/zinc/10/46/06/717104606.db2.gz VDGYRASFPNRLPJ-KRWDZBQOSA-O 1 0 358.458 3.334 10 5 FGBERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000083704221 494031058 /nfs/dbraw/zinc/03/10/58/494031058.db2.gz KMXLGPWYBBTNGV-WCQYABFASA-N 1 0 354.248 3.420 10 5 FGBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H](Cn4cncn4)C3)o2)cc1 ZINC000128622025 495125502 /nfs/dbraw/zinc/12/55/02/495125502.db2.gz IOTXKRDICBYUPK-HNNXBMFYSA-N 1 0 367.409 3.359 10 5 FGBERO Cc1cnn([C@H]2CCC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000106225585 495438677 /nfs/dbraw/zinc/43/86/77/495438677.db2.gz PBRCXLHLJVZPIN-KRWDZBQOSA-N 1 0 371.441 3.074 10 5 FGBERO CC[C@H]([NH2+]CC(=O)Nc1cc(OC)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000181539165 496437069 /nfs/dbraw/zinc/43/70/69/496437069.db2.gz AFRJTFRAUFYWQM-INIZCTEOSA-N 1 0 373.409 3.291 10 5 FGBERO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000181758455 496531913 /nfs/dbraw/zinc/53/19/13/496531913.db2.gz FNCRKKCOFCGNIG-CYBMUJFWSA-N 1 0 371.393 3.045 10 5 FGBERO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000153792215 496582130 /nfs/dbraw/zinc/58/21/30/496582130.db2.gz NYVIMPGLFMPFBH-AWEZNQCLSA-N 1 0 361.833 3.139 10 5 FGBERO Cc1ccc([C@H]2CCCC[N@@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000181909390 496596651 /nfs/dbraw/zinc/59/66/51/496596651.db2.gz OFFPNOJWKFATIF-JKSUJKDBSA-N 1 0 360.410 3.463 10 5 FGBERO CC[C@@H]([NH2+]Cc1ccc(N(C)CCOC)nc1)c1cccc([N+](=O)[O-])c1 ZINC000191289969 497770190 /nfs/dbraw/zinc/77/01/90/497770190.db2.gz ZUJAKAAHDISWHZ-GOSISDBHSA-N 1 0 358.442 3.313 10 5 FGBERO Cc1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000301979812 498354893 /nfs/dbraw/zinc/35/48/93/498354893.db2.gz AMIWWGHZNDRTCW-UAGQMJEPSA-N 1 0 352.438 3.372 10 5 FGBERO COc1ccc(C[N@@H+]2CCCN(c3cc(F)ccc3[N+](=O)[O-])CC2)cc1 ZINC000302870102 498608070 /nfs/dbraw/zinc/60/80/70/498608070.db2.gz XZJBRJHKWFVALD-UHFFFAOYSA-N 1 0 359.401 3.455 10 5 FGBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000068223137 493781313 /nfs/dbraw/zinc/78/13/13/493781313.db2.gz XHTQDZCIFUPUFN-ZIAGYGMSSA-N 1 0 353.488 3.168 10 5 FGBERO C[C@@H]1C[NH+](CC2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000091478911 494607116 /nfs/dbraw/zinc/60/71/16/494607116.db2.gz QIMILONIXKSLET-ZIAGYGMSSA-N 1 0 351.422 3.060 10 5 FGBERO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000026713006 494834876 /nfs/dbraw/zinc/83/48/76/494834876.db2.gz PXVCSVPMXZEDPV-LRDDRELGSA-N 1 0 350.802 3.339 10 5 FGBERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000180500074 496022501 /nfs/dbraw/zinc/02/25/01/496022501.db2.gz RRIQCGQCALITSB-KBPBESRZSA-N 1 0 361.467 3.305 10 5 FGBERO CC[C@@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)ncn1)c1cccc([N+](=O)[O-])c1 ZINC000180576820 496051903 /nfs/dbraw/zinc/05/19/03/496051903.db2.gz PCTOIKOWSNXNGM-DLBZAZTESA-N 1 0 370.457 3.136 10 5 FGBERO Cc1ccc([C@@H](C)NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000177840617 496218283 /nfs/dbraw/zinc/21/82/83/496218283.db2.gz ZSPBPIUGGXUFSW-BEFAXECRSA-N 1 0 355.438 3.253 10 5 FGBERO CC[C@H]([NH2+]CC(=O)Nc1ccc(NC(C)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181548267 496440308 /nfs/dbraw/zinc/44/03/08/496440308.db2.gz KMJBQPVVCSYHHF-SFHVURJKSA-N 1 0 370.409 3.233 10 5 FGBERO Cc1c(Br)c(N2CCC([C@@H]3CCC[NH2+]3)CC2)ncc1[N+](=O)[O-] ZINC000262054384 497499975 /nfs/dbraw/zinc/49/99/75/497499975.db2.gz DEPFDISRMXYHDZ-LBPRGKRZSA-N 1 0 369.263 3.029 10 5 FGBERO NC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000301127121 497963600 /nfs/dbraw/zinc/96/36/00/497963600.db2.gz ZZSZRAXDVNYJRM-UHFFFAOYSA-N 1 0 360.458 3.150 10 5 FGBERO COc1ccc([C@H]2[C@@H](CNc3ncccc3[N+](=O)[O-])CCC[N@@H+]2C)cc1 ZINC000301246630 498019269 /nfs/dbraw/zinc/01/92/69/498019269.db2.gz AWTWMMKQCIGLLR-QAPCUYQASA-N 1 0 356.426 3.493 10 5 FGBERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000182096614 705825474 /nfs/dbraw/zinc/82/54/74/705825474.db2.gz QFIAPWKIBLMBPJ-ZDUSSCGKSA-N 1 0 361.829 3.499 10 5 FGBERO C[C@@H]([NH3+])[C@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000262368659 713724211 /nfs/dbraw/zinc/72/42/11/713724211.db2.gz XGYBWDPKDKGYFL-ZJUUUORDSA-N 1 0 365.231 3.079 10 5 FGBERO C[N+]12CCC(CC1)[C@H](OC(=O)[C@](O)(c1ccccc1)C1CCCCC1)C2 ZINC000001842896 717089712 /nfs/dbraw/zinc/08/97/12/717089712.db2.gz UEJRWWYWBNGGBE-UZCJWVJQSA-N 1 0 358.502 3.237 10 5 in-man FGBERO C[N+]1(CCCN(Cc2ccccc2)C(=O)c2ccccc2)CCOCC1 ZINC000006068266 717104733 /nfs/dbraw/zinc/10/47/33/717104733.db2.gz RYBKKIPPXHKZNX-UHFFFAOYSA-N 1 0 353.486 3.196 10 5 FGBERO CC(C)(C)Nc1ncnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC000040581673 208257437 /nfs/dbraw/zinc/25/74/37/208257437.db2.gz BXQCWEXODBEECR-UHFFFAOYSA-N 1 0 350.467 3.316 10 5 FGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000008248248 494078601 /nfs/dbraw/zinc/07/86/01/494078601.db2.gz GKBMKKCIWFEBDU-JTQLQIEISA-N 1 0 365.336 3.171 10 5 FGBERO CCC[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000089732082 494350779 /nfs/dbraw/zinc/35/07/79/494350779.db2.gz ZVUNUXOZHXUYJZ-WMZOPIPTSA-N 1 0 355.442 3.485 10 5 FGBERO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccnn1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090068754 494435815 /nfs/dbraw/zinc/43/58/15/494435815.db2.gz LVPSWDQPQMKZMW-BBRMVZONSA-N 1 0 359.430 3.440 10 5 FGBERO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccnn1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090068755 494436101 /nfs/dbraw/zinc/43/61/01/494436101.db2.gz LVPSWDQPQMKZMW-CJNGLKHVSA-N 1 0 359.430 3.440 10 5 FGBERO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000056182396 494467416 /nfs/dbraw/zinc/46/74/16/494467416.db2.gz WYQKGYBIYJATHF-OLZOCXBDSA-N 1 0 373.409 3.290 10 5 FGBERO CC[C@H](NC(=O)NCC[NH+](C(C)C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090512064 494475410 /nfs/dbraw/zinc/47/54/10/494475410.db2.gz SGDZNTMWHJGETO-KRWDZBQOSA-N 1 0 350.463 3.464 10 5 FGBERO CC[C@H](NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000090610872 494487378 /nfs/dbraw/zinc/48/73/78/494487378.db2.gz DXMUCMDMTCMBEB-CJNGLKHVSA-N 1 0 350.463 3.321 10 5 FGBERO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000046170939 494500763 /nfs/dbraw/zinc/50/07/63/494500763.db2.gz MNQGTJNQXQEECC-QWHCGFSZSA-N 1 0 371.393 3.044 10 5 FGBERO Cn1cc([C@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000131813826 494740931 /nfs/dbraw/zinc/74/09/31/494740931.db2.gz OFCXNOPZNOQHGW-GOSISDBHSA-N 1 0 366.425 3.066 10 5 FGBERO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](c1cccs1)N1CCOCC1 ZINC000106160878 495420365 /nfs/dbraw/zinc/42/03/65/495420365.db2.gz PCBXEVKQABSIFY-QGZVFWFLSA-N 1 0 361.467 3.162 10 5 FGBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000160011879 495863649 /nfs/dbraw/zinc/86/36/49/495863649.db2.gz TYXFPYDTBWXFKQ-AWEZNQCLSA-N 1 0 351.472 3.263 10 5 FGBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000195296303 496880018 /nfs/dbraw/zinc/88/00/18/496880018.db2.gz OJLLNXQUUSORSA-INIZCTEOSA-N 1 0 358.417 3.083 10 5 FGBERO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000246891737 497819063 /nfs/dbraw/zinc/81/90/63/497819063.db2.gz FDPUERUDHMYVGZ-CRAIPNDOSA-N 1 0 362.474 3.419 10 5 FGBERO C[C@H]1CCC[C@@](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000301101105 497951684 /nfs/dbraw/zinc/95/16/84/497951684.db2.gz RLLRFEIWVOIWMA-VBKZILBWSA-N 1 0 374.485 3.409 10 5 FGBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000434646241 500872693 /nfs/dbraw/zinc/87/26/93/500872693.db2.gz PDGWHUKLZHKIGG-ZXYDQQDNSA-N 1 0 366.465 3.457 10 5 FGBERO NC(=O)c1ccc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000065201977 494179342 /nfs/dbraw/zinc/17/93/42/494179342.db2.gz KDVGEWMSWZDUIC-KRWDZBQOSA-N 1 0 368.437 3.160 10 5 FGBERO CC[C@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090687774 494493524 /nfs/dbraw/zinc/49/35/24/494493524.db2.gz BQDKTVSBHWHVER-SFHVURJKSA-N 1 0 362.474 3.419 10 5 FGBERO C[NH+](C)C[C@@H]1CN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000108951681 494809421 /nfs/dbraw/zinc/80/94/21/494809421.db2.gz MCJOKBSNUOVUCY-SECBINFHSA-N 1 0 367.755 3.034 10 5 FGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCc4ncnn4C3)s2)cc1 ZINC000109072071 494827099 /nfs/dbraw/zinc/82/70/99/494827099.db2.gz SPYNUXGRBVCNKX-ZDUSSCGKSA-N 1 0 355.423 3.019 10 5 FGBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000160504164 495977714 /nfs/dbraw/zinc/97/77/14/495977714.db2.gz LPJWLBIIUQLZLI-QGZVFWFLSA-N 1 0 374.485 3.045 10 5 FGBERO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H](O)COCc2ccccc2)C2CC2)c1 ZINC000153316421 496418702 /nfs/dbraw/zinc/41/87/02/496418702.db2.gz MRTFYOORVCRMSX-FQEVSTJZSA-N 1 0 356.422 3.137 10 5 FGBERO CC[C@@H]([NH2+]CC(=O)Nc1cc(OC)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000181539182 496437120 /nfs/dbraw/zinc/43/71/20/496437120.db2.gz AFRJTFRAUFYWQM-MRXNPFEDSA-N 1 0 373.409 3.291 10 5 FGBERO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000192707399 497190720 /nfs/dbraw/zinc/19/07/20/497190720.db2.gz GOMNEBAXHTZFCF-QGZVFWFLSA-N 1 0 364.829 3.258 10 5 FGBERO Nc1ccc([N+](=O)[O-])c(NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1 ZINC000193411335 497374308 /nfs/dbraw/zinc/37/43/08/497374308.db2.gz ADJVUCHGKVVQOY-FQEVSTJZSA-N 1 0 370.453 3.035 10 5 FGBERO COC(=O)c1cc(N2CCC([N@@H+]3CCC[C@@H]3C)CC2)cc(C)c1[N+](=O)[O-] ZINC000301750942 498251242 /nfs/dbraw/zinc/25/12/42/498251242.db2.gz AXSPTTRXOVAHBW-AWEZNQCLSA-N 1 0 361.442 3.143 10 5 FGBERO Cc1ccc(N(C)C2CC[NH+](CCc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000301802712 498270748 /nfs/dbraw/zinc/27/07/48/498270748.db2.gz CXPSSBJZQGQNJI-UHFFFAOYSA-N 1 0 354.454 3.442 10 5 FGBERO CCC(=O)OC[C@H](C(=O)OC1C[C@H]2CC[C@@H](C1)[N+]2(C)C)c1ccccc1 ZINC000005497930 717099373 /nfs/dbraw/zinc/09/93/73/717099373.db2.gz GIIDTFNXKIHNDG-SWDXFRIISA-N 1 0 360.474 3.036 10 5 FGBERO O=[N+]([O-])c1cc(Br)ccc1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063201097 494033557 /nfs/dbraw/zinc/03/35/57/494033557.db2.gz ODVLPVJHMPFABW-ZDUSSCGKSA-N 1 0 354.248 3.326 10 5 FGBERO O=[N+]([O-])c1cc(F)c(Nc2cnn(CC[NH+]3CCCCC3)c2)c(F)c1 ZINC000092978372 494800551 /nfs/dbraw/zinc/80/05/51/494800551.db2.gz UFJLMKLZRRUNSK-UHFFFAOYSA-N 1 0 351.357 3.299 10 5 FGBERO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(F)c(F)c1 ZINC000109146880 494838829 /nfs/dbraw/zinc/83/88/29/494838829.db2.gz JIFJUZJARBXQNJ-APPDUMDISA-N 1 0 361.348 3.329 10 5 FGBERO CC[C@@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000119596850 495197699 /nfs/dbraw/zinc/19/76/99/495197699.db2.gz DXMUCMDMTCMBEB-XJKSGUPXSA-N 1 0 350.463 3.321 10 5 FGBERO COc1cc(N2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c([N+](=O)[O-])cc1F ZINC000124111202 495235251 /nfs/dbraw/zinc/23/52/51/495235251.db2.gz TVHSYNDLXNLBOI-ZDUSSCGKSA-N 1 0 360.389 3.384 10 5 FGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H](OCC)C12CCOCC2 ZINC000185654942 495664107 /nfs/dbraw/zinc/66/41/07/495664107.db2.gz LWCHCFVKNFTANP-ROUUACIJSA-N 1 0 364.442 3.057 10 5 FGBERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000180500055 496022560 /nfs/dbraw/zinc/02/25/60/496022560.db2.gz RRIQCGQCALITSB-ZIAGYGMSSA-N 1 0 361.467 3.305 10 5 FGBERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C12CCOCC2 ZINC000186509376 496026022 /nfs/dbraw/zinc/02/60/22/496026022.db2.gz CMWPSBBVBJGNSR-HOTGVXAUSA-N 1 0 354.834 3.312 10 5 FGBERO CC[C@@H]([NH2+]C[C@H]1CCCN1c1cc(NC)ncn1)c1cccc([N+](=O)[O-])c1 ZINC000180576856 496051962 /nfs/dbraw/zinc/05/19/62/496051962.db2.gz PCTOIKOWSNXNGM-IAGOWNOFSA-N 1 0 370.457 3.136 10 5 FGBERO CC[C@H]([NH2+]CC(=O)NCc1cccc(COC)c1)c1cccc([N+](=O)[O-])c1 ZINC000181543453 496439243 /nfs/dbraw/zinc/43/92/43/496439243.db2.gz UIMNDJXIEGRFRR-IBGZPJMESA-N 1 0 371.437 3.098 10 5 FGBERO O=C(c1ccccc1)c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000248739841 497093901 /nfs/dbraw/zinc/09/39/01/497093901.db2.gz ALBFALRKRUBBTK-KRWDZBQOSA-N 1 0 351.406 3.110 10 5 FGBERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000193089247 497299851 /nfs/dbraw/zinc/29/98/51/497299851.db2.gz NHOHNCGNZQNTDU-YOEHRIQHSA-N 1 0 355.442 3.292 10 5 FGBERO Cn1cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245767341 497534326 /nfs/dbraw/zinc/53/43/26/497534326.db2.gz RBJHHWXXLADBAO-PXNSSMCTSA-N 1 0 370.453 3.122 10 5 FGBERO O=[N+]([O-])c1cnc(NC[C@H]2[NH2+]CCc3ccccc32)c(Br)c1 ZINC000262403495 497550354 /nfs/dbraw/zinc/55/03/54/497550354.db2.gz CNAQUQLPQDBSRW-CQSZACIVSA-N 1 0 363.215 3.051 10 5 FGBERO CC(C)CCSc1ccc(C(=O)N2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000158086682 705172024 /nfs/dbraw/zinc/17/20/24/705172024.db2.gz JXXBQGJTQSZCSD-AWEZNQCLSA-N 1 0 351.472 3.296 10 5 FGBERO CC[NH+](CC)[C@@H](C)CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000051343361 493963558 /nfs/dbraw/zinc/96/35/58/493963558.db2.gz GLKVHBWXQKAARX-LBPRGKRZSA-N 1 0 362.455 3.178 10 5 FGBERO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000008248216 494078470 /nfs/dbraw/zinc/07/84/70/494078470.db2.gz NWXYFSQRSRSJFM-SNVBAGLBSA-N 1 0 365.336 3.171 10 5 FGBERO CCOCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H]1CC ZINC000116871250 494864315 /nfs/dbraw/zinc/86/43/15/494864315.db2.gz STFONTWHCBMJNW-HNNXBMFYSA-N 1 0 358.442 3.080 10 5 FGBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000133277247 494993718 /nfs/dbraw/zinc/99/37/18/494993718.db2.gz ZMLGEQKVNNOYFC-MRXNPFEDSA-N 1 0 362.474 3.245 10 5 FGBERO Cc1ccc([C@@H]2CCCC[N@@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000124679926 495326570 /nfs/dbraw/zinc/32/65/70/495326570.db2.gz FGLYPGYMFXTWPU-WMZOPIPTSA-N 1 0 360.410 3.463 10 5 FGBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000137105949 495423609 /nfs/dbraw/zinc/42/36/09/495423609.db2.gz MJPUOEXQXNCMPV-GFCCVEGCSA-N 1 0 372.263 3.063 10 5 FGBERO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000175199277 496287915 /nfs/dbraw/zinc/28/79/15/496287915.db2.gz TVSNXOCWVNIYTP-MRXNPFEDSA-N 1 0 373.457 3.114 10 5 FGBERO O=[N+]([O-])c1ccc(Cn2nc(-c3ccc(F)cc3)c3c2CC[NH2+]C3)cc1 ZINC000167737905 496705418 /nfs/dbraw/zinc/70/54/18/496705418.db2.gz HOTZEPNWHMLULE-UHFFFAOYSA-N 1 0 352.369 3.291 10 5 FGBERO Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000195258394 496865271 /nfs/dbraw/zinc/86/52/71/496865271.db2.gz GXZCSPSTHQEGQK-KRWDZBQOSA-N 1 0 374.510 3.356 10 5 FGBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000245791441 497538865 /nfs/dbraw/zinc/53/88/65/497538865.db2.gz WDSRGXLTHMBSDV-GUYCJALGSA-N 1 0 358.467 3.387 10 5 FGBERO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@]4(O)CCCC[C@H]4C3)co2)cc1 ZINC000245848450 497550244 /nfs/dbraw/zinc/55/02/44/497550244.db2.gz IXIGUVHILRMBIP-HNAYVOBHSA-N 1 0 357.410 3.377 10 5 FGBERO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@]4(O)CCCC[C@@H]4C3)co2)cc1 ZINC000089910023 494399017 /nfs/dbraw/zinc/39/90/17/494399017.db2.gz IXIGUVHILRMBIP-DNVCBOLYSA-N 1 0 357.410 3.377 10 5 FGBERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000046170937 494500431 /nfs/dbraw/zinc/50/04/31/494500431.db2.gz MNQGTJNQXQEECC-OLZOCXBDSA-N 1 0 371.393 3.044 10 5 FGBERO CCn1cc(C[N@@H+]2CCCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000121613839 494820970 /nfs/dbraw/zinc/82/09/70/494820970.db2.gz ZDUVGUANFISVEF-VMPITWQZSA-N 1 0 369.469 3.032 10 5 FGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCc3ncnn3C2)s1 ZINC000109072511 494826614 /nfs/dbraw/zinc/82/66/14/494826614.db2.gz WXWZJBOKFSPIMT-LBPRGKRZSA-N 1 0 355.423 3.019 10 5 FGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000123075921 495077053 /nfs/dbraw/zinc/07/70/53/495077053.db2.gz QYUOJNGACYKPGI-MRXNPFEDSA-N 1 0 358.398 3.028 10 5 FGBERO COc1cc(N2CC[C@H](CNc3cccc(C)[nH+]3)C2)c([N+](=O)[O-])cc1F ZINC000124111449 495235460 /nfs/dbraw/zinc/23/54/60/495235460.db2.gz TVHSYNDLXNLBOI-CYBMUJFWSA-N 1 0 360.389 3.384 10 5 FGBERO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H](O)COCc1ccccc1)C1CC1 ZINC000135234237 495266133 /nfs/dbraw/zinc/26/61/33/495266133.db2.gz QVUXQSCQDYOIDY-LJQANCHMSA-N 1 0 356.422 3.137 10 5 FGBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000177013558 495883854 /nfs/dbraw/zinc/88/38/54/495883854.db2.gz BGRRRFIIPXQYMW-OAHLLOKOSA-N 1 0 374.466 3.275 10 5 FGBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000160783119 496040930 /nfs/dbraw/zinc/04/09/30/496040930.db2.gz JDUFGGVGSHSMRP-WFASDCNBSA-N 1 0 351.472 3.165 10 5 FGBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180842742 496167386 /nfs/dbraw/zinc/16/73/86/496167386.db2.gz CJMSPLQQXWUYTD-FUHWJXTLSA-N 1 0 356.426 3.308 10 5 FGBERO CC[C@H]([NH2+]CC(=O)Nc1ccc(OC)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000181559072 496445641 /nfs/dbraw/zinc/44/56/41/496445641.db2.gz BJFXJUUQEQMWFX-INIZCTEOSA-N 1 0 373.409 3.291 10 5 FGBERO CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000178672520 496535631 /nfs/dbraw/zinc/53/56/31/496535631.db2.gz NUQNOKDDIWGRDZ-SUMWQHHRSA-N 1 0 370.409 3.372 10 5 FGBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000246996385 496747232 /nfs/dbraw/zinc/74/72/32/496747232.db2.gz GRLZMXFWUPARQB-IUODEOHRSA-N 1 0 374.466 3.177 10 5 FGBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000248375351 496987218 /nfs/dbraw/zinc/98/72/18/496987218.db2.gz WONCKJHGPIPVGQ-WCQYABFASA-N 1 0 371.890 3.185 10 5 FGBERO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000246371783 497711025 /nfs/dbraw/zinc/71/10/25/497711025.db2.gz YOQZZVSJJHGSDZ-YSIASYRMSA-N 1 0 356.422 3.216 10 5 FGBERO NC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000301116514 497957876 /nfs/dbraw/zinc/95/78/76/497957876.db2.gz UROUUEWBTMWSKI-KRWDZBQOSA-N 1 0 368.437 3.160 10 5 FGBERO Cn1cc([C@H](CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[NH+](C)C)cn1 ZINC000301270329 498031151 /nfs/dbraw/zinc/03/11/51/498031151.db2.gz GUFOJROHCYJZGR-AWEZNQCLSA-N 1 0 357.336 3.062 10 5 FGBERO Cc1cc(N2CCC[N@@H+](C3CCOCC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000080645855 494754785 /nfs/dbraw/zinc/75/47/85/494754785.db2.gz DHAHCFRYUJKXSO-UHFFFAOYSA-N 1 0 353.850 3.248 10 5 FGBERO O=[N+]([O-])c1ccc2nc(NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)ccc2c1 ZINC000132876317 494936370 /nfs/dbraw/zinc/93/63/70/494936370.db2.gz PNCALUXOCXOZKO-OALUTQOASA-N 1 0 370.453 3.323 10 5 FGBERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000119331667 495143349 /nfs/dbraw/zinc/14/33/49/495143349.db2.gz YBXNWQZOPZIQOS-GOSISDBHSA-N 1 0 367.409 3.419 10 5 FGBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000119826435 495249408 /nfs/dbraw/zinc/24/94/08/495249408.db2.gz OOCBBLNKEBSBOY-LLVKDONJSA-N 1 0 372.263 3.063 10 5 FGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)o1 ZINC000179466713 495602675 /nfs/dbraw/zinc/60/26/75/495602675.db2.gz XGAROQYDGOEDKX-AWEZNQCLSA-N 1 0 353.382 3.283 10 5 FGBERO Cc1ccc([C@H]2CCCC[N@@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000248460185 497018980 /nfs/dbraw/zinc/01/89/80/497018980.db2.gz OFFPNOJWKFATIF-HZPDHXFCSA-N 1 0 360.410 3.463 10 5 FGBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000249270089 497184420 /nfs/dbraw/zinc/18/44/20/497184420.db2.gz APFCCRDKRXNUHB-JQWIXIFHSA-N 1 0 372.347 3.314 10 5 FGBERO Cc1nc(C)n(C[C@H]2CCC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)n1 ZINC000255841484 497376287 /nfs/dbraw/zinc/37/62/87/497376287.db2.gz DTANYTCLKBFFFP-SKHCZCESSA-N 1 0 355.442 3.229 10 5 FGBERO CN(c1cc(F)ccc1[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000302823459 498589362 /nfs/dbraw/zinc/58/93/62/498589362.db2.gz UTZKESMBHXORJV-UHFFFAOYSA-N 1 0 358.417 3.272 10 5 FGBERO C[C@@H]1C[C@H](C[NH3+])CN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000262334068 713723808 /nfs/dbraw/zinc/72/38/08/713723808.db2.gz SUNHCAUMJNWUHK-NXEZZACHSA-N 1 0 365.231 3.079 10 5 FGBERO CC[N+](CC)(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000003638030 717097011 /nfs/dbraw/zinc/09/70/11/717097011.db2.gz QMVNSBQAZFAMHL-UHFFFAOYSA-N 1 0 356.486 3.342 10 5 FGBERO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(F)c(F)c1 ZINC000126303008 494702408 /nfs/dbraw/zinc/70/24/08/494702408.db2.gz UBFFHXVWGSYCNN-LLVKDONJSA-N 1 0 361.348 3.113 10 5 FGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCc4ncnn4C3)s2)cc1 ZINC000109072069 494826660 /nfs/dbraw/zinc/82/66/60/494826660.db2.gz SPYNUXGRBVCNKX-CYBMUJFWSA-N 1 0 355.423 3.019 10 5 FGBERO O=[N+]([O-])c1ccc2nc(NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)ccc2c1 ZINC000132876136 494936361 /nfs/dbraw/zinc/93/63/61/494936361.db2.gz PNCALUXOCXOZKO-MOPGFXCFSA-N 1 0 370.453 3.323 10 5 FGBERO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@@H](n4cncn4)C3)o2)c1 ZINC000179467749 495602292 /nfs/dbraw/zinc/60/22/92/495602292.db2.gz WMQKWGOVRRJHHT-MRXNPFEDSA-N 1 0 353.382 3.283 10 5 FGBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000177013521 495883896 /nfs/dbraw/zinc/88/38/96/495883896.db2.gz ZTRDNDHCLVMKGG-OAHLLOKOSA-N 1 0 374.466 3.275 10 5 FGBERO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1N1CCOCC1 ZINC000180227948 495915323 /nfs/dbraw/zinc/91/53/23/495915323.db2.gz IOVULFYDTAXKFU-BEFAXECRSA-N 1 0 371.437 3.007 10 5 FGBERO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1N1CCOCC1 ZINC000180229522 495916035 /nfs/dbraw/zinc/91/60/35/495916035.db2.gz FQMVPXFQHKUHRA-BEFAXECRSA-N 1 0 371.437 3.007 10 5 FGBERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC2 ZINC000180504191 496024191 /nfs/dbraw/zinc/02/41/91/496024191.db2.gz PGMPCONTLKFNJT-IRXDYDNUSA-N 1 0 369.469 3.235 10 5 FGBERO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261713699 497438615 /nfs/dbraw/zinc/43/86/15/497438615.db2.gz KQOQJYMQTHJOSN-MJGOQNOKSA-N 1 0 355.438 3.168 10 5 FGBERO [NH3+]CC1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000261985157 497487705 /nfs/dbraw/zinc/48/77/05/497487705.db2.gz RYHDOUZDUGATGT-UHFFFAOYSA-N 1 0 365.231 3.081 10 5 FGBERO Cc1cc(N(C)C[C@H]2CCC[N@H+](C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301261455 498026532 /nfs/dbraw/zinc/02/65/32/498026532.db2.gz FJYNFDIRVVAHQJ-HNNXBMFYSA-N 1 0 355.442 3.138 10 5 FGBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000052555828 494040202 /nfs/dbraw/zinc/04/02/02/494040202.db2.gz RFIOADHEGPBLHZ-KBXCAEBGSA-N 1 0 373.478 3.495 10 5 FGBERO CCCn1cc(CN2CCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)cn1 ZINC000121664781 494833233 /nfs/dbraw/zinc/83/32/33/494833233.db2.gz HGICKEVKSHGAQT-UHFFFAOYSA-N 1 0 371.485 3.218 10 5 FGBERO C[NH+](C)CCN1C(=O)c2cccc3cc4ccc([N+](=O)[O-])cc4c(c32)C1=O ZINC000027554897 494873036 /nfs/dbraw/zinc/87/30/36/494873036.db2.gz FZHDOFLWEMLXDK-UHFFFAOYSA-N 1 0 363.373 3.059 10 5 FGBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000093437275 494891457 /nfs/dbraw/zinc/89/14/57/494891457.db2.gz WDSRGXLTHMBSDV-SUMWQHHRSA-N 1 0 358.467 3.387 10 5 FGBERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000106211853 495433444 /nfs/dbraw/zinc/43/34/44/495433444.db2.gz HPHBCODOYPXTSF-KRWDZBQOSA-N 1 0 371.441 3.111 10 5 FGBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000176311345 495593750 /nfs/dbraw/zinc/59/37/50/495593750.db2.gz MECJSWYCOQCZRF-LBPRGKRZSA-N 1 0 372.372 3.144 10 5 FGBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000176311329 495593957 /nfs/dbraw/zinc/59/39/57/495593957.db2.gz MECJSWYCOQCZRF-GFCCVEGCSA-N 1 0 372.372 3.144 10 5 FGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)o1 ZINC000179466725 495602841 /nfs/dbraw/zinc/60/28/41/495602841.db2.gz XGAROQYDGOEDKX-CQSZACIVSA-N 1 0 353.382 3.283 10 5 FGBERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)C12CCOCC2 ZINC000185658759 495666891 /nfs/dbraw/zinc/66/68/91/495666891.db2.gz OBYFRPRZEAKSIG-HOTGVXAUSA-N 1 0 354.834 3.312 10 5 FGBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000176975921 495865531 /nfs/dbraw/zinc/86/55/31/495865531.db2.gz KJGQQQMUGNREBJ-HIFRSBDPSA-N 1 0 351.472 3.018 10 5 FGBERO CC[C@@H]([NH2+]CCn1cnc2ccccc2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000181535081 496436060 /nfs/dbraw/zinc/43/60/60/496436060.db2.gz VBHHGHFAMZDFBS-QGZVFWFLSA-N 1 0 352.394 3.046 10 5 FGBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000247480624 496868703 /nfs/dbraw/zinc/86/87/03/496868703.db2.gz SPUISWUEWIDYBK-DOMZBBRYSA-N 1 0 372.450 3.027 10 5 FGBERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000192984701 497267205 /nfs/dbraw/zinc/26/72/05/497267205.db2.gz HXIKZVKTYHRGJN-WMLDXEAASA-N 1 0 355.442 3.292 10 5 FGBERO C[C@]1(C[NH3+])CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000262570890 497576603 /nfs/dbraw/zinc/57/66/03/497576603.db2.gz XKFAYQILEQMYMN-OAHLLOKOSA-N 1 0 365.231 3.081 10 5 FGBERO C[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1 ZINC000031554083 717119769 /nfs/dbraw/zinc/11/97/69/717119769.db2.gz KETCLSSLGLBTBV-UHFFFAOYSA-N 1 0 354.470 3.096 10 5 FGBERO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1[N+](=O)[O-] ZINC000089732602 494350648 /nfs/dbraw/zinc/35/06/48/494350648.db2.gz KWBSBYDZIZEXFI-GDBMZVCRSA-N 1 0 371.441 3.103 10 5 FGBERO [NH3+][C@H](CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-])C1CC1 ZINC000133175625 494981022 /nfs/dbraw/zinc/98/10/22/494981022.db2.gz CGFVBXKRLIKBJW-LLVKDONJSA-N 1 0 351.204 3.055 10 5 FGBERO CCOCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@H]1CC ZINC000110560697 494988444 /nfs/dbraw/zinc/98/84/44/494988444.db2.gz BIBOVDOQFZEQTM-OAHLLOKOSA-N 1 0 358.442 3.080 10 5 FGBERO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000120456234 495383107 /nfs/dbraw/zinc/38/31/07/495383107.db2.gz BFRJIOLWWXQSEN-CHWSQXEVSA-N 1 0 373.409 3.290 10 5 FGBERO CCOC(=O)c1cc(N2CCC([N@@H+]3CCC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000154933739 495776955 /nfs/dbraw/zinc/77/69/55/495776955.db2.gz MFPXTFWHKWAGHX-CQSZACIVSA-N 1 0 361.442 3.225 10 5 FGBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000155375700 495938280 /nfs/dbraw/zinc/93/82/80/495938280.db2.gz GRLZMXFWUPARQB-DOMZBBRYSA-N 1 0 374.466 3.177 10 5 FGBERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C12CCOCC2 ZINC000186509408 496026030 /nfs/dbraw/zinc/02/60/30/496026030.db2.gz CMWPSBBVBJGNSR-CVEARBPZSA-N 1 0 354.834 3.312 10 5 FGBERO CC[C@H]([NH2+]C[C@@H](O)COc1cccc(C(C)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000181541517 496438559 /nfs/dbraw/zinc/43/85/59/496438559.db2.gz AYPNKCXSOLXWFS-QUCCMNQESA-N 1 0 372.421 3.278 10 5 FGBERO C[C@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000262099501 497508078 /nfs/dbraw/zinc/50/80/78/497508078.db2.gz IREDLCNRHKQIHV-CABZTGNLSA-N 1 0 365.231 3.079 10 5 FGBERO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCCC[C@H]3C[NH3+])cc2[N+](=O)[O-])C1 ZINC000262553875 497573770 /nfs/dbraw/zinc/57/37/70/497573770.db2.gz UWGWSWYGVBNOKA-UXLLHSPISA-N 1 0 374.485 3.031 10 5 FGBERO COc1ccc([C@@H]2[C@H](CNc3ccc([N+](=O)[O-])cn3)CCC[N@@H+]2C)cc1 ZINC000301298624 498045605 /nfs/dbraw/zinc/04/56/05/498045605.db2.gz QDMMLHFOGQDMFY-HNAYVOBHSA-N 1 0 356.426 3.493 10 5 FGBERO C[C@H]1C[NH+](CCC2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000301565692 498165516 /nfs/dbraw/zinc/16/55/16/498165516.db2.gz PXJNCEUBPIIDCG-GJZGRUSLSA-N 1 0 365.449 3.450 10 5 FGBERO O=[N+]([O-])c1ccc(N2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)cc1C(F)(F)F ZINC000301739173 498245767 /nfs/dbraw/zinc/24/57/67/498245767.db2.gz WVHPSYKKXRFDID-UONOGXRCSA-N 1 0 373.375 3.039 10 5 FGBERO CCc1nn(C)c(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC000302192775 498436831 /nfs/dbraw/zinc/43/68/31/498436831.db2.gz WGANRVPJNYLNPT-LZLYRXPVSA-N 1 0 369.469 3.213 10 5 FGBERO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)c(Cl)c1 ZINC000182405991 705839185 /nfs/dbraw/zinc/83/91/85/705839185.db2.gz LIKMIHLMEAPKOZ-DGCLKSJQSA-N 1 0 368.792 3.478 10 5 FGBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000190447137 257368126 /nfs/dbraw/zinc/36/81/26/257368126.db2.gz MMVISQUSLICZLK-CQSZACIVSA-N 1 0 362.380 3.226 10 5 FGBERO CC[C@H](NC(=O)NC1CC[NH+](CC(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090519930 494477362 /nfs/dbraw/zinc/47/73/62/494477362.db2.gz VAGBZILAIIMTFP-SFHVURJKSA-N 1 0 362.474 3.466 10 5 FGBERO C[C@@H]1C[N@@H+](CC2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000091478904 494606400 /nfs/dbraw/zinc/60/64/00/494606400.db2.gz QIMILONIXKSLET-OKILXGFUSA-N 1 0 351.422 3.060 10 5 FGBERO C[NH+](C)C[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000128082459 495041532 /nfs/dbraw/zinc/04/15/32/495041532.db2.gz OFPOOJOIXFYIMT-AWEZNQCLSA-N 1 0 361.467 3.086 10 5 FGBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000160011732 495863527 /nfs/dbraw/zinc/86/35/27/495863527.db2.gz TYXFPYDTBWXFKQ-CQSZACIVSA-N 1 0 351.472 3.263 10 5 FGBERO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2ccccc2)cc1 ZINC000174660477 496050107 /nfs/dbraw/zinc/05/01/07/496050107.db2.gz MESOWHPCXRDZIQ-FOIQADDNSA-N 1 0 366.421 3.170 10 5 FGBERO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000175199255 496288044 /nfs/dbraw/zinc/28/80/44/496288044.db2.gz TVSNXOCWVNIYTP-INIZCTEOSA-N 1 0 373.457 3.114 10 5 FGBERO C[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1N1CCOCC1 ZINC000245773650 497534837 /nfs/dbraw/zinc/53/48/37/497534837.db2.gz SIHMCSGYKNNGHN-DNVCBOLYSA-N 1 0 371.437 3.007 10 5 FGBERO O=[N+]([O-])c1ccc(CO)cc1NCC1([NH+]2CCSCC2)CCCCC1 ZINC000302031921 498377520 /nfs/dbraw/zinc/37/75/20/498377520.db2.gz KIIZRPMQEGDLPE-UHFFFAOYSA-N 1 0 365.499 3.251 10 5 FGBERO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000193114494 712882497 /nfs/dbraw/zinc/88/24/97/712882497.db2.gz YNEMSHMMZSPLLH-ZYHUDNBSSA-N 1 0 356.831 3.400 10 5 FGBERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000083704219 494031428 /nfs/dbraw/zinc/03/14/28/494031428.db2.gz KMXLGPWYBBTNGV-DGCLKSJQSA-N 1 0 354.248 3.420 10 5 FGBERO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000046170991 494500751 /nfs/dbraw/zinc/50/07/51/494500751.db2.gz LEKSDLRDCRDLSM-QWHCGFSZSA-N 1 0 371.393 3.044 10 5 FGBERO Cc1nc(C)n(C[C@H]2CCC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)n1 ZINC000121926324 494892063 /nfs/dbraw/zinc/89/20/63/494892063.db2.gz DTANYTCLKBFFFP-NADMHLTPSA-N 1 0 355.442 3.229 10 5 FGBERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)C1 ZINC000120706239 495439679 /nfs/dbraw/zinc/43/96/79/495439679.db2.gz TXSFATMBODWCPT-GWCFXTLKSA-N 1 0 372.372 3.046 10 5 FGBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000176975907 495866235 /nfs/dbraw/zinc/86/62/35/495866235.db2.gz KJGQQQMUGNREBJ-UKRRQHHQSA-N 1 0 351.472 3.018 10 5 FGBERO C[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1N1CCOCC1 ZINC000180231256 495917006 /nfs/dbraw/zinc/91/70/06/495917006.db2.gz SIHMCSGYKNNGHN-BEFAXECRSA-N 1 0 371.437 3.007 10 5 FGBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000152912848 496294647 /nfs/dbraw/zinc/29/46/47/496294647.db2.gz KLWCVZHAUMRBKR-CYBMUJFWSA-N 1 0 353.488 3.413 10 5 FGBERO CC[C@H]([NH2+]Cc1cc(=O)n2cccc(C)c2n1)c1cccc([N+](=O)[O-])c1 ZINC000181563766 496447334 /nfs/dbraw/zinc/44/73/34/496447334.db2.gz NIEHORCBJIPSPM-KRWDZBQOSA-N 1 0 352.394 3.152 10 5 FGBERO CC[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178675091 496536789 /nfs/dbraw/zinc/53/67/89/496536789.db2.gz VMOGSUHXLRGVGN-SCLBCKFNSA-N 1 0 359.401 3.480 10 5 FGBERO CC[C@@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000175909874 496598686 /nfs/dbraw/zinc/59/86/86/496598686.db2.gz TUDYUBUMYVLPSF-GOSISDBHSA-N 1 0 360.458 3.220 10 5 FGBERO CC[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176140089 496700633 /nfs/dbraw/zinc/70/06/33/496700633.db2.gz UCSBGIAOVPNJME-MAUKXSAKSA-N 1 0 362.474 3.466 10 5 FGBERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000192984716 497267306 /nfs/dbraw/zinc/26/73/06/497267306.db2.gz HXIKZVKTYHRGJN-PBHICJAKSA-N 1 0 355.442 3.292 10 5 FGBERO Cc1ccc(CN2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190474206 497493876 /nfs/dbraw/zinc/49/38/76/497493876.db2.gz VRRSGKBKWFJCSE-LJQANCHMSA-N 1 0 354.454 3.252 10 5 FGBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190480598 497498180 /nfs/dbraw/zinc/49/81/80/497498180.db2.gz PDGWHUKLZHKIGG-MTCRFPMVSA-N 1 0 366.465 3.457 10 5 FGBERO Cn1cc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245767340 497533169 /nfs/dbraw/zinc/53/31/69/497533169.db2.gz RBJHHWXXLADBAO-FXAWDEMLSA-N 1 0 370.453 3.122 10 5 FGBERO COC(=O)c1cc(N2CCC([N@@H+]3CCC[C@H]3C)CC2)cc(C)c1[N+](=O)[O-] ZINC000301750943 498251747 /nfs/dbraw/zinc/25/17/47/498251747.db2.gz AXSPTTRXOVAHBW-CQSZACIVSA-N 1 0 361.442 3.143 10 5 FGBERO Cc1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000301979814 498354903 /nfs/dbraw/zinc/35/49/03/498354903.db2.gz AMIWWGHZNDRTCW-XIRDDKMYSA-N 1 0 352.438 3.372 10 5 FGBERO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000312974603 498762722 /nfs/dbraw/zinc/76/27/22/498762722.db2.gz KRZMCMUKPCKAMN-FGTMMUONSA-N 1 0 369.469 3.442 10 5 FGBERO COc1ccc(NC(=O)[N@@+]2([C@H](C)Cc3ccccc3)CC(=N)ON2)cc1 ZINC000613825665 717187463 /nfs/dbraw/zinc/18/74/63/717187463.db2.gz OUUIFVQHPLVNOJ-FATZIPQQSA-O 1 0 355.418 3.102 10 5 FGBERO CC[N+]1(CC)CC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000002015882 210376614 /nfs/dbraw/zinc/37/66/14/210376614.db2.gz ZKCWITXZGWUJAV-HXUWFJFHSA-N 1 0 354.470 3.095 10 5 in-man FGBERO Cc1nc(CN2CCC(CNc3cc(CO)ccc3[N+](=O)[O-])CC2)oc1C ZINC000302075939 257383354 /nfs/dbraw/zinc/38/33/54/257383354.db2.gz XYWIBNHWBZSIRT-UHFFFAOYSA-N 1 0 374.441 3.016 10 5 FGBERO O=[N+]([O-])c1cc(Br)ccc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063201099 494033522 /nfs/dbraw/zinc/03/35/22/494033522.db2.gz ODVLPVJHMPFABW-CYBMUJFWSA-N 1 0 354.248 3.326 10 5 FGBERO CCOc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000007818147 494045592 /nfs/dbraw/zinc/04/55/92/494045592.db2.gz SLNHTDYYQFOBAP-MRXNPFEDSA-N 1 0 357.410 3.026 10 5 FGBERO O=[N+]([O-])c1ccccc1OCCN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121078457 494583923 /nfs/dbraw/zinc/58/39/23/494583923.db2.gz JKMUQALNCGXTMO-CXAGYDPISA-N 1 0 364.348 3.060 10 5 FGBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000131979203 494790530 /nfs/dbraw/zinc/79/05/30/494790530.db2.gz NNDSMIOFPMRBQU-YGRLFVJLSA-N 1 0 359.348 3.072 10 5 FGBERO Cc1ccc([C@H]2CCCC[N@@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000124680124 495326444 /nfs/dbraw/zinc/32/64/44/495326444.db2.gz FGLYPGYMFXTWPU-FUHWJXTLSA-N 1 0 360.410 3.463 10 5 FGBERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC2 ZINC000180639312 496081516 /nfs/dbraw/zinc/08/15/16/496081516.db2.gz CBUOUDWGVKVHJR-SJORKVTESA-N 1 0 369.469 3.235 10 5 FGBERO CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000161628553 496210301 /nfs/dbraw/zinc/21/03/01/496210301.db2.gz HSNFLGWDBCJCIN-SCLBCKFNSA-N 1 0 352.398 3.372 10 5 FGBERO CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000153835489 496595719 /nfs/dbraw/zinc/59/57/19/496595719.db2.gz XYYMFXGYTOUHEO-HNNXBMFYSA-N 1 0 359.451 3.424 10 5 FGBERO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000261405979 497409608 /nfs/dbraw/zinc/40/96/08/497409608.db2.gz OZZMGFFUMYLYRT-AWEZNQCLSA-N 1 0 360.458 3.163 10 5 FGBERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000190468293 497491724 /nfs/dbraw/zinc/49/17/24/497491724.db2.gz GUYRGIOYIAQVGU-OAHLLOKOSA-N 1 0 360.483 3.314 10 5 FGBERO C[C@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000262099504 497508974 /nfs/dbraw/zinc/50/89/74/497508974.db2.gz IREDLCNRHKQIHV-JOYOIKCWSA-N 1 0 365.231 3.079 10 5 FGBERO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1N1CCOCC1 ZINC000245708803 497510624 /nfs/dbraw/zinc/51/06/24/497510624.db2.gz FQMVPXFQHKUHRA-DNVCBOLYSA-N 1 0 371.437 3.007 10 5 FGBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000245764816 497532720 /nfs/dbraw/zinc/53/27/20/497532720.db2.gz JDUFGGVGSHSMRP-IUODEOHRSA-N 1 0 351.472 3.165 10 5 FGBERO COc1ccc([C@H]2[C@@H](CNc3c([N+](=O)[O-])c(C)nn3C)CCC[N@@H+]2C)cc1 ZINC000301308556 498050258 /nfs/dbraw/zinc/05/02/58/498050258.db2.gz WQZSQOYAGZSQBM-QAPCUYQASA-N 1 0 373.457 3.140 10 5 FGBERO COc1ccc(NC(=O)[N@+]2([C@@H](C)Cc3ccccc3)CC(=N)ON2)cc1 ZINC000613825671 717187447 /nfs/dbraw/zinc/18/74/47/717187447.db2.gz OUUIFVQHPLVNOJ-LFVRLGFBSA-O 1 0 355.418 3.102 10 5 FGBERO O=[N+]([O-])c1cc(Br)ccc1NC[C@@H]1C[NH2+]CCC1(F)F ZINC000717011644 722417325 /nfs/dbraw/zinc/41/73/25/722417325.db2.gz KOTFENTXTZSMEO-QMMMGPOBSA-N 1 0 350.163 3.014 10 5 FGBERO C[C@@H]1CC[C@@H](C)[N+]1(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000004212990 210229590 /nfs/dbraw/zinc/22/95/90/210229590.db2.gz XPDQVVMCVFQWCC-RTBURBONSA-N 1 0 368.497 3.483 10 5 in-man FGBERO COc1cc(CC[NH+](C)C)c2ccc3cc4c(c5c(=O)oc1c2c35)OCO4 ZINC000005957979 291070700 /nfs/dbraw/zinc/07/07/00/291070700.db2.gz ZLVXQJKCDNGHDK-UHFFFAOYSA-N 1 0 365.385 3.379 10 5 biogenic,in-vitro FGBERO C[N+]12CCC(CC1)[C@@H](OC(=O)[C@@](O)(c1ccccc1)C1CCCCC1)C2 ZINC000001842894 210372833 /nfs/dbraw/zinc/37/28/33/210372833.db2.gz UEJRWWYWBNGGBE-HXJXSYANSA-N 1 0 358.502 3.237 10 5 in-man FGBERO C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)N1CCOCC1 ZINC000102420688 257350912 /nfs/dbraw/zinc/35/09/12/257350912.db2.gz FPGWZMKFBMYCRC-AWEZNQCLSA-N 1 0 361.467 3.134 10 5 FGBERO CCC[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000089732081 494350821 /nfs/dbraw/zinc/35/08/21/494350821.db2.gz ZVUNUXOZHXUYJZ-SJLPKXTDSA-N 1 0 355.442 3.485 10 5 FGBERO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000056182293 494466685 /nfs/dbraw/zinc/46/66/85/494466685.db2.gz PSUZKIJSOOFNLS-OLZOCXBDSA-N 1 0 373.409 3.290 10 5 FGBERO CC[C@H](NC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090560711 494482030 /nfs/dbraw/zinc/48/20/30/494482030.db2.gz UCSBGIAOVPNJME-QAPCUYQASA-N 1 0 362.474 3.466 10 5 FGBERO Cn1cc([C@@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000131813641 494740780 /nfs/dbraw/zinc/74/07/80/494740780.db2.gz OFCXNOPZNOQHGW-SFHVURJKSA-N 1 0 366.425 3.066 10 5 FGBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113228634 495285831 /nfs/dbraw/zinc/28/58/31/495285831.db2.gz SPUISWUEWIDYBK-SWLSCSKDSA-N 1 0 372.450 3.027 10 5 FGBERO CCCC(=O)N[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000104682576 495297016 /nfs/dbraw/zinc/29/70/16/495297016.db2.gz PXGUHGMMYSCBIB-INIZCTEOSA-N 1 0 363.458 3.263 10 5 FGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114201621 495354231 /nfs/dbraw/zinc/35/42/31/495354231.db2.gz WJQRVPPRFMKLSF-KRWDZBQOSA-N 1 0 357.414 3.182 10 5 FGBERO CC[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000125086189 495389072 /nfs/dbraw/zinc/38/90/72/495389072.db2.gz DYKKALOUIIWXLU-JFUPDXTOSA-N 1 0 362.474 3.466 10 5 FGBERO Cc1cnn([C@H]2CCC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000106225596 495438732 /nfs/dbraw/zinc/43/87/32/495438732.db2.gz BAEMELKQTMTQFY-KRWDZBQOSA-N 1 0 371.441 3.074 10 5 FGBERO O=[N+]([O-])c1cccc([C@@H](NC[C@@H](O)C[NH+]2CCCCC2)c2ccccc2)c1 ZINC000180211195 495908906 /nfs/dbraw/zinc/90/89/06/495908906.db2.gz UFGFPXKEXVNICH-RTWAWAEBSA-N 1 0 369.465 3.121 10 5 FGBERO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2ccccc2)cc1 ZINC000174660454 496049888 /nfs/dbraw/zinc/04/98/88/496049888.db2.gz MESOWHPCXRDZIQ-QRWLVFNGSA-N 1 0 366.421 3.170 10 5 FGBERO Cc1ccc([C@H](C)NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000177840622 496218394 /nfs/dbraw/zinc/21/83/94/496218394.db2.gz ZSPBPIUGGXUFSW-KXBFYZLASA-N 1 0 355.438 3.253 10 5 FGBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000246996403 496747315 /nfs/dbraw/zinc/74/73/15/496747315.db2.gz GRLZMXFWUPARQB-SWLSCSKDSA-N 1 0 374.466 3.177 10 5 FGBERO O=[N+]([O-])c1cnc2ccc(Br)cc2c1NC[C@H]1CCC[NH2+]C1 ZINC000261953467 497482723 /nfs/dbraw/zinc/48/27/23/497482723.db2.gz NOXRDWCHMUXXOT-JTQLQIEISA-N 1 0 365.231 3.317 10 5 FGBERO Cc1nn(C)c(NCC2CC[NH+](Cc3ccc(C)cc3)CC2)c1[N+](=O)[O-] ZINC000301206640 497999943 /nfs/dbraw/zinc/99/99/43/497999943.db2.gz SZCJRXLEYWPODX-UHFFFAOYSA-N 1 0 357.458 3.269 10 5 FGBERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302059087 498389766 /nfs/dbraw/zinc/38/97/66/498389766.db2.gz RIGZKHAQQUXISX-QAPCUYQASA-N 1 0 355.438 3.410 10 5 FGBERO CC[C@H]([NH2+][C@@H](Cc1ccc(Cl)cc1)C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000185943726 712705406 /nfs/dbraw/zinc/70/54/06/712705406.db2.gz YWELECIRAPWSJR-IRXDYDNUSA-N 1 0 361.829 3.386 10 5 FGBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000252707569 713673730 /nfs/dbraw/zinc/67/37/30/713673730.db2.gz XNDBFRHJFMRQJJ-AAEUAGOBSA-N 1 0 354.248 3.026 10 5 FGBERO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](c1cccs1)N1CCOCC1 ZINC000106160677 495421056 /nfs/dbraw/zinc/42/10/56/495421056.db2.gz KSTDJCKALXSWQK-QGZVFWFLSA-N 1 0 361.467 3.162 10 5 FGBERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000170856031 495629215 /nfs/dbraw/zinc/62/92/15/495629215.db2.gz UMBLXNKXAYROIX-INIZCTEOSA-N 1 0 354.410 3.115 10 5 FGBERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)C12CCOCC2 ZINC000185658776 495666663 /nfs/dbraw/zinc/66/66/63/495666663.db2.gz OBYFRPRZEAKSIG-HZPDHXFCSA-N 1 0 354.834 3.312 10 5 FGBERO Cc1nc(CN2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)CC2)cs1 ZINC000183224506 495887148 /nfs/dbraw/zinc/88/71/48/495887148.db2.gz NJYZTAMXMRFBOS-UHFFFAOYSA-N 1 0 360.483 3.376 10 5 FGBERO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000180891432 496188160 /nfs/dbraw/zinc/18/81/60/496188160.db2.gz IIVAPDVTFINSDR-ZDUSSCGKSA-N 1 0 373.409 3.291 10 5 FGBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000248393330 496992945 /nfs/dbraw/zinc/99/29/45/496992945.db2.gz LOCNYMMDKLAWEG-ZIFCJYIRSA-N 1 0 359.470 3.249 10 5 FGBERO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190474226 497494626 /nfs/dbraw/zinc/49/46/26/497494626.db2.gz VRRSGKBKWFJCSE-IBGZPJMESA-N 1 0 354.454 3.252 10 5 FGBERO C[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1N1CCOCC1 ZINC000245774307 497535658 /nfs/dbraw/zinc/53/56/58/497535658.db2.gz SIHMCSGYKNNGHN-HNAYVOBHSA-N 1 0 371.437 3.007 10 5 FGBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000246515603 497759560 /nfs/dbraw/zinc/75/95/60/497759560.db2.gz TXSFATMBODWCPT-GXFFZTMASA-N 1 0 372.372 3.046 10 5 FGBERO Cn1cc([C@@H](CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[NH+](C)C)cn1 ZINC000301270331 498030602 /nfs/dbraw/zinc/03/06/02/498030602.db2.gz GUFOJROHCYJZGR-CQSZACIVSA-N 1 0 357.336 3.062 10 5 FGBERO COC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1Cl ZINC000301655460 498208769 /nfs/dbraw/zinc/20/87/69/498208769.db2.gz HQOAVVFTFCFLHB-IINYFYTJSA-N 1 0 355.822 3.175 10 5 FGBERO O=[N+]([O-])c1ccc(N2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)cc1C(F)(F)F ZINC000301739171 498245664 /nfs/dbraw/zinc/24/56/64/498245664.db2.gz WVHPSYKKXRFDID-KBPBESRZSA-N 1 0 373.375 3.039 10 5 FGBERO CCc1cc(N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c2ccccc2[nH+]1 ZINC000301808484 498272871 /nfs/dbraw/zinc/27/28/71/498272871.db2.gz WPCBMCHGWIZGCF-UHFFFAOYSA-N 1 0 363.421 3.427 10 5 FGBERO O=[N+]([O-])c1cccc(-c2csc3ncnc(N4CCC[NH2+]CC4)c23)c1 ZINC000020319720 220322988 /nfs/dbraw/zinc/32/29/88/220322988.db2.gz PJCMHSPFDOATMS-UHFFFAOYSA-N 1 0 355.423 3.066 10 5 FGBERO C[NH+](C)C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000007257768 494010837 /nfs/dbraw/zinc/01/08/37/494010837.db2.gz CDULFELZRKFVCY-GOSISDBHSA-N 1 0 368.437 3.202 10 5 FGBERO CC[C@H]([NH2+][C@H](C)C(=O)NCCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000090068632 494435972 /nfs/dbraw/zinc/43/59/72/494435972.db2.gz SQTLIFYLPZIKEB-DYVFJYSZSA-N 1 0 361.467 3.444 10 5 FGBERO C[NH+](C)C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000128252197 495068096 /nfs/dbraw/zinc/06/80/96/495068096.db2.gz HHMZHCIAPWSKDL-MRXNPFEDSA-N 1 0 361.467 3.086 10 5 FGBERO CCO[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C12CCOCC2 ZINC000186418755 495990623 /nfs/dbraw/zinc/99/06/23/495990623.db2.gz RYLBTQBFIQMRRH-JKSUJKDBSA-N 1 0 354.834 3.312 10 5 FGBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000152432951 496149788 /nfs/dbraw/zinc/14/97/88/496149788.db2.gz ZXBRICJDTHHNKS-GOSISDBHSA-N 1 0 374.485 3.389 10 5 FGBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000247480629 496868899 /nfs/dbraw/zinc/86/88/99/496868899.db2.gz SPUISWUEWIDYBK-WFASDCNBSA-N 1 0 372.450 3.027 10 5 FGBERO Cc1c(CN2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000195297311 496879620 /nfs/dbraw/zinc/87/96/20/496879620.db2.gz VSOBBJBKEHEZTH-GOSISDBHSA-N 1 0 354.454 3.252 10 5 FGBERO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@]4(O)CCCC[C@H]4C3)co2)cc1 ZINC000245848459 497550397 /nfs/dbraw/zinc/55/03/97/497550397.db2.gz IXIGUVHILRMBIP-KXBFYZLASA-N 1 0 357.410 3.377 10 5 FGBERO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000302697418 498535490 /nfs/dbraw/zinc/53/54/90/498535490.db2.gz TXRMGITZVBHZEB-ZDUSSCGKSA-N 1 0 353.850 3.246 10 5 FGBERO [NH3+]C[C@H]1CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000261853309 713715126 /nfs/dbraw/zinc/71/51/26/713715126.db2.gz DVUZOGUYYRXWBJ-SNVBAGLBSA-N 1 0 365.231 3.081 10 5 FGBERO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COCc1ccccc1 ZINC000066483805 494343340 /nfs/dbraw/zinc/34/33/40/494343340.db2.gz DUDSJENHKGFDRR-FQEVSTJZSA-N 1 0 358.438 3.383 10 5 FGBERO O=C(c1ccccc1)c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000024659589 494651429 /nfs/dbraw/zinc/65/14/29/494651429.db2.gz ALBFALRKRUBBTK-QGZVFWFLSA-N 1 0 351.406 3.110 10 5 FGBERO O=[N+]([O-])c1ccc2nc(NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)ccc2c1 ZINC000132876504 494936692 /nfs/dbraw/zinc/93/66/92/494936692.db2.gz PNCALUXOCXOZKO-RTBURBONSA-N 1 0 370.453 3.323 10 5 FGBERO C[NH+](C)C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000128082260 495041684 /nfs/dbraw/zinc/04/16/84/495041684.db2.gz OFPOOJOIXFYIMT-CQSZACIVSA-N 1 0 361.467 3.086 10 5 FGBERO C[NH+](C)C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000128252448 495067843 /nfs/dbraw/zinc/06/78/43/495067843.db2.gz HHMZHCIAPWSKDL-INIZCTEOSA-N 1 0 361.467 3.086 10 5 FGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000123075722 495076773 /nfs/dbraw/zinc/07/67/73/495076773.db2.gz QYUOJNGACYKPGI-INIZCTEOSA-N 1 0 358.398 3.028 10 5 FGBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000137105909 495423226 /nfs/dbraw/zinc/42/32/26/495423226.db2.gz MJPUOEXQXNCMPV-LBPRGKRZSA-N 1 0 372.263 3.063 10 5 FGBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000137107868 495423520 /nfs/dbraw/zinc/42/35/20/495423520.db2.gz CPJOEQRMUDLXNU-LBPRGKRZSA-N 1 0 361.364 3.320 10 5 FGBERO CCc1nccn1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000106217731 495436964 /nfs/dbraw/zinc/43/69/64/495436964.db2.gz GSCGERWIIYTGMI-OAHLLOKOSA-N 1 0 371.441 3.019 10 5 FGBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000120706134 495439672 /nfs/dbraw/zinc/43/96/72/495439672.db2.gz TXSFATMBODWCPT-MFKMUULPSA-N 1 0 372.372 3.046 10 5 FGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000182749725 495687968 /nfs/dbraw/zinc/68/79/68/495687968.db2.gz ZSJSWKVNBHFFLR-HNNXBMFYSA-N 1 0 355.442 3.355 10 5 FGBERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC2 ZINC000180504207 496023547 /nfs/dbraw/zinc/02/35/47/496023547.db2.gz PGMPCONTLKFNJT-IAGOWNOFSA-N 1 0 369.469 3.235 10 5 FGBERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC2 ZINC000180639344 496081519 /nfs/dbraw/zinc/08/15/19/496081519.db2.gz CBUOUDWGVKVHJR-IAGOWNOFSA-N 1 0 369.469 3.235 10 5 FGBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180842727 496167209 /nfs/dbraw/zinc/16/72/09/496167209.db2.gz CJMSPLQQXWUYTD-SJLPKXTDSA-N 1 0 356.426 3.308 10 5 FGBERO CC[C@@H]([NH2+][C@H](C)C(=O)NCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000178677497 496536894 /nfs/dbraw/zinc/53/68/94/496536894.db2.gz UJGBVFCWEHPNBG-FZKQIMNGSA-N 1 0 359.401 3.480 10 5 FGBERO C[C@@]1(C[NH3+])CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000262570888 497576175 /nfs/dbraw/zinc/57/61/75/497576175.db2.gz XKFAYQILEQMYMN-HNNXBMFYSA-N 1 0 365.231 3.081 10 5 FGBERO C[C@H]1C[C@H](CNc2cc(CO)ccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000302016582 498369634 /nfs/dbraw/zinc/36/96/34/498369634.db2.gz CLSYWFJZIWQWLR-MAUKXSAKSA-N 1 0 355.438 3.410 10 5 FGBERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302059085 498389665 /nfs/dbraw/zinc/38/96/65/498389665.db2.gz RIGZKHAQQUXISX-CRAIPNDOSA-N 1 0 355.438 3.410 10 5 FGBERO C[C@H]([NH3+])[C@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000262368652 713724187 /nfs/dbraw/zinc/72/41/87/713724187.db2.gz XGYBWDPKDKGYFL-UWVGGRQHSA-N 1 0 365.231 3.079 10 5 FGBERO O=[N+]([O-])c1cc(Br)ccc1NC[C@H]1C[NH2+]CCC1(F)F ZINC000717011642 722417246 /nfs/dbraw/zinc/41/72/46/722417246.db2.gz KOTFENTXTZSMEO-MRVPVSSYSA-N 1 0 350.163 3.014 10 5 FGBERO CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000088608296 494253068 /nfs/dbraw/zinc/25/30/68/494253068.db2.gz UBDJLJCMSPPLEF-GOSISDBHSA-N 1 0 374.441 3.412 10 5 FGBERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000090687369 494493341 /nfs/dbraw/zinc/49/33/41/494493341.db2.gz FDPUERUDHMYVGZ-YJBOKZPZSA-N 1 0 362.474 3.419 10 5 FGBERO CC[C@H]([NH2+][C@H](C)c1ccc(-n2cnnn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090918496 494505113 /nfs/dbraw/zinc/50/51/13/494505113.db2.gz HSNFLGWDBCJCIN-ACJLOTCBSA-N 1 0 352.398 3.372 10 5 FGBERO CCc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000120437008 495378174 /nfs/dbraw/zinc/37/81/74/495378174.db2.gz CQLLPJCAKZXNLS-ZDUSSCGKSA-N 1 0 357.410 3.455 10 5 FGBERO CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ncn1 ZINC000180566073 496046085 /nfs/dbraw/zinc/04/60/85/496046085.db2.gz KYRGDDJKLSWDRT-ZBFHGGJFSA-N 1 0 370.457 3.055 10 5 FGBERO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000172897770 496481531 /nfs/dbraw/zinc/48/15/31/496481531.db2.gz NOBHWPIAEVNKDR-FQEVSTJZSA-N 1 0 367.449 3.308 10 5 FGBERO CCc1csc([C@@H]2CCC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 ZINC000195379378 496906656 /nfs/dbraw/zinc/90/66/56/496906656.db2.gz ZEPMMVWRNSONKX-CQSZACIVSA-N 1 0 374.466 3.092 10 5 FGBERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000245457619 497416569 /nfs/dbraw/zinc/41/65/69/497416569.db2.gz CDBVQGXAECCDFV-CZUORRHYSA-N 1 0 359.430 3.122 10 5 FGBERO COc1ccc([C@H]2[C@H](CNc3ncccc3[N+](=O)[O-])CCC[N@@H+]2C)cc1 ZINC000301246632 498019372 /nfs/dbraw/zinc/01/93/72/498019372.db2.gz AWTWMMKQCIGLLR-YJBOKZPZSA-N 1 0 356.426 3.493 10 5 FGBERO COc1ccc(C[C@@H]2c3cc(OC)c(O)cc3CC[N+]2(C)C)cc1OC ZINC000006068293 219712369 /nfs/dbraw/zinc/71/23/69/219712369.db2.gz VDGYRASFPNRLPJ-QGZVFWFLSA-O 1 0 358.458 3.334 10 5 FGBERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000046170989 494500865 /nfs/dbraw/zinc/50/08/65/494500865.db2.gz LEKSDLRDCRDLSM-OLZOCXBDSA-N 1 0 371.393 3.044 10 5 FGBERO Cc1cc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000133499611 495021385 /nfs/dbraw/zinc/02/13/85/495021385.db2.gz AKIMYVCIGZELQJ-ZFWWWQNUSA-N 1 0 353.426 3.397 10 5 FGBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000119579757 495195115 /nfs/dbraw/zinc/19/51/15/495195115.db2.gz WTDGOBTYMZGJJV-OAHLLOKOSA-N 1 0 353.850 3.027 10 5 FGBERO C[NH+](C)C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000125389758 495437119 /nfs/dbraw/zinc/43/71/19/495437119.db2.gz MKTCOZTUNDCHCO-LJQANCHMSA-N 1 0 366.421 3.038 10 5 FGBERO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)cc1[N+](=O)[O-] ZINC000180509733 496026081 /nfs/dbraw/zinc/02/60/81/496026081.db2.gz PYBNSFDFXXNBSK-DZGCQCFKSA-N 1 0 373.457 3.374 10 5 FGBERO CSc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000171887962 496076668 /nfs/dbraw/zinc/07/66/68/496076668.db2.gz WPWDYNKIJJRUEI-HNNXBMFYSA-N 1 0 359.451 3.349 10 5 FGBERO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000180891451 496188032 /nfs/dbraw/zinc/18/80/32/496188032.db2.gz IIVAPDVTFINSDR-CYBMUJFWSA-N 1 0 373.409 3.291 10 5 FGBERO CC[C@H]([NH2+]C[C@@H](O)COCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000181550675 496442315 /nfs/dbraw/zinc/44/23/15/496442315.db2.gz VZJWPRUBTSBBEZ-WBVHZDCISA-N 1 0 350.440 3.275 10 5 FGBERO Cc1cc(NC[C@@H](c2cccs2)N2CCO[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000301423992 498104036 /nfs/dbraw/zinc/10/40/36/498104036.db2.gz GHSAZWWJNWSHOO-ZFWWWQNUSA-N 1 0 362.455 3.234 10 5 FGBERO O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCC[NH2+]C1CC1 ZINC000054267907 695938809 /nfs/dbraw/zinc/93/88/09/695938809.db2.gz TUKCSYVPTLUVIK-UHFFFAOYSA-N 1 0 351.204 3.069 10 5 FGBERO O=[N+]([O-])c1ccc2[nH]cc(CN3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000031623082 220640109 /nfs/dbraw/zinc/64/01/09/220640109.db2.gz PKVAMSCYQLIVLR-UHFFFAOYSA-N 1 0 350.422 3.394 10 5 FGBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000052555825 494039992 /nfs/dbraw/zinc/03/99/92/494039992.db2.gz RFIOADHEGPBLHZ-KDOFPFPSSA-N 1 0 373.478 3.495 10 5 FGBERO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1[N+](=O)[O-] ZINC000089732605 494350290 /nfs/dbraw/zinc/35/02/90/494350290.db2.gz KWBSBYDZIZEXFI-HOCLYGCPSA-N 1 0 371.441 3.103 10 5 FGBERO CC[C@H]([NH2+][C@@H](C)C(=O)NCCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000090068631 494435909 /nfs/dbraw/zinc/43/59/09/494435909.db2.gz SQTLIFYLPZIKEB-GUYCJALGSA-N 1 0 361.467 3.444 10 5 FGBERO CC[C@H](NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090611437 494486967 /nfs/dbraw/zinc/48/69/67/494486967.db2.gz JKIXXTCBDMIDAP-YJBOKZPZSA-N 1 0 362.474 3.323 10 5 FGBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080080704 494588398 /nfs/dbraw/zinc/58/83/98/494588398.db2.gz ZIKCUUBIOOCBOG-OAHLLOKOSA-N 1 0 350.463 3.105 10 5 FGBERO C[NH+](C)C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000024276811 494617859 /nfs/dbraw/zinc/61/78/59/494617859.db2.gz XUSWNQZFEHXJSP-LJQANCHMSA-N 1 0 370.453 3.206 10 5 FGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCc4ncnn4C3)o2)c(Cl)c1 ZINC000109072318 494827011 /nfs/dbraw/zinc/82/70/11/494827011.db2.gz QMXGWCBRZRQEER-LLVKDONJSA-N 1 0 373.800 3.204 10 5 FGBERO CCc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000102686577 495153510 /nfs/dbraw/zinc/15/35/10/495153510.db2.gz YEUIHCVZFYDSLJ-LBPRGKRZSA-N 1 0 371.393 3.175 10 5 FGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114202626 495353680 /nfs/dbraw/zinc/35/36/80/495353680.db2.gz RTXHIXIVDQMCHC-KRWDZBQOSA-N 1 0 357.414 3.182 10 5 FGBERO CCc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000120436840 495377891 /nfs/dbraw/zinc/37/78/91/495377891.db2.gz CQLLPJCAKZXNLS-CYBMUJFWSA-N 1 0 357.410 3.455 10 5 FGBERO CC[C@H]([NH2+]C[C@H]1CCCN1c1cc(NC)ncn1)c1cccc([N+](=O)[O-])c1 ZINC000180576839 496052409 /nfs/dbraw/zinc/05/24/09/496052409.db2.gz PCTOIKOWSNXNGM-SJORKVTESA-N 1 0 370.457 3.136 10 5 FGBERO Cc1ccc([C@@H](C)NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000177840602 496219055 /nfs/dbraw/zinc/21/90/55/496219055.db2.gz ZSPBPIUGGXUFSW-DNVCBOLYSA-N 1 0 355.438 3.253 10 5 FGBERO CC[C@@H]([NH2+]C[C@H](O)COc1cccc(C(C)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000181541501 496438520 /nfs/dbraw/zinc/43/85/20/496438520.db2.gz AYPNKCXSOLXWFS-AZUAARDMSA-N 1 0 372.421 3.278 10 5 FGBERO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195333004 496893501 /nfs/dbraw/zinc/89/35/01/496893501.db2.gz PHILOOVOADZHCC-INIZCTEOSA-N 1 0 367.405 3.307 10 5 FGBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000247686573 496905708 /nfs/dbraw/zinc/90/57/08/496905708.db2.gz VCIGPRYLXKYJTJ-AAEUAGOBSA-N 1 0 352.822 3.339 10 5 FGBERO Cc1ccc([C@@H]2CCCC[N@@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000248460184 497019221 /nfs/dbraw/zinc/01/92/21/497019221.db2.gz OFFPNOJWKFATIF-CVEARBPZSA-N 1 0 360.410 3.463 10 5 FGBERO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCCC[C@@H]3C[NH3+])cc2[N+](=O)[O-])C1 ZINC000237691062 497276520 /nfs/dbraw/zinc/27/65/20/497276520.db2.gz UWGWSWYGVBNOKA-HLLBOEOZSA-N 1 0 374.485 3.031 10 5 FGBERO COc1ccc(NC(=O)[C@@H](C)N2CCC[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000246880448 497818352 /nfs/dbraw/zinc/81/83/52/497818352.db2.gz FYNNOHRLCJGTPQ-DOMZBBRYSA-N 1 0 359.382 3.361 10 5 FGBERO COC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1Cl ZINC000301655462 498208661 /nfs/dbraw/zinc/20/86/61/498208661.db2.gz HQOAVVFTFCFLHB-QMTHXVAHSA-N 1 0 355.822 3.175 10 5 FGBERO O=c1[nH]ccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1[N+](=O)[O-] ZINC000596194570 506303611 /nfs/dbraw/zinc/30/36/11/506303611.db2.gz OXHPVUQYQQBYQS-BZUAXINKSA-N 1 0 354.410 3.018 10 5 FGBERO O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCC[C@@H]1CC[NH2+]C1 ZINC000261945054 713716125 /nfs/dbraw/zinc/71/61/25/713716125.db2.gz MDVLHPDLPLUXNI-JTQLQIEISA-N 1 0 365.231 3.317 10 5 FGBERO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000056182295 494467053 /nfs/dbraw/zinc/46/70/53/494467053.db2.gz PSUZKIJSOOFNLS-QWHCGFSZSA-N 1 0 373.409 3.290 10 5 FGBERO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000116294802 494752327 /nfs/dbraw/zinc/75/23/27/494752327.db2.gz SNAMRVRHSACKGW-HNNXBMFYSA-N 1 0 359.382 3.362 10 5 FGBERO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1F ZINC000126592735 494796594 /nfs/dbraw/zinc/79/65/94/494796594.db2.gz GPFKOYIOSFGWQM-UGSOOPFHSA-N 1 0 357.385 3.498 10 5 FGBERO C[NH+](C)C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000129891256 495311596 /nfs/dbraw/zinc/31/15/96/495311596.db2.gz ZDGHUYHHMJCABZ-GOSISDBHSA-N 1 0 352.394 3.109 10 5 FGBERO CCc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000120438272 495377811 /nfs/dbraw/zinc/37/78/11/495377811.db2.gz MUZDWZAQCPPSCA-ZDUSSCGKSA-N 1 0 357.410 3.455 10 5 FGBERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000106211679 495433392 /nfs/dbraw/zinc/43/33/92/495433392.db2.gz WLMPRAZXAKKTLU-QGZVFWFLSA-N 1 0 371.441 3.111 10 5 FGBERO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H](O)COCc2ccccc2)C2CC2)cc1 ZINC000130897691 495463385 /nfs/dbraw/zinc/46/33/85/495463385.db2.gz WSKWCQABWHBRAS-HXUWFJFHSA-N 1 0 356.422 3.137 10 5 FGBERO CC(C)[N@H+]1C[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)C1 ZINC000155574566 495999755 /nfs/dbraw/zinc/99/97/55/495999755.db2.gz CIIZEGXOOQGNAK-WFASDCNBSA-N 1 0 374.466 3.177 10 5 FGBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000152912778 496294336 /nfs/dbraw/zinc/29/43/36/496294336.db2.gz KLWCVZHAUMRBKR-ZDUSSCGKSA-N 1 0 353.488 3.413 10 5 FGBERO CC[C@@H]([NH2+]CC(=O)Nc1ccc(OC)cc1OC)c1cccc([N+](=O)[O-])c1 ZINC000181526746 496432266 /nfs/dbraw/zinc/43/22/66/496432266.db2.gz RXORKCQZMMGUTB-MRXNPFEDSA-N 1 0 373.409 3.291 10 5 FGBERO CC[C@@H](NC(=O)NC1CC[NH+](CC(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000175691519 496502398 /nfs/dbraw/zinc/50/23/98/496502398.db2.gz VAGBZILAIIMTFP-GOSISDBHSA-N 1 0 362.474 3.466 10 5 FGBERO COc1cc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000188146280 496701407 /nfs/dbraw/zinc/70/14/07/496701407.db2.gz ARLFCHDMNFTPPR-KBPBESRZSA-N 1 0 366.414 3.012 10 5 FGBERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C12CCOCC2 ZINC000248634029 497065716 /nfs/dbraw/zinc/06/57/16/497065716.db2.gz JITSFSOHUMCNND-AYOQOUSVSA-N 1 0 362.470 3.480 10 5 FGBERO O=[N+]([O-])c1cncc(Br)c1NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262473166 713726373 /nfs/dbraw/zinc/72/63/73/713726373.db2.gz JJTBQLVBWICGHV-ZDUSSCGKSA-N 1 0 363.215 3.051 10 5 FGBERO CCN(c1ccccc1)c1ncnc(N(C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000040573581 220911545 /nfs/dbraw/zinc/91/15/45/220911545.db2.gz ABTHOJSGMVMJFJ-UHFFFAOYSA-N 1 0 370.457 3.073 10 5 FGBERO COc1ccc(OC)c(Nc2ncnc(Nc3cc[nH+]cc3)c2[N+](=O)[O-])c1 ZINC000040586343 220913163 /nfs/dbraw/zinc/91/31/63/220913163.db2.gz ZYIVIWQJRQQXAX-UHFFFAOYSA-N 1 0 368.353 3.284 10 5 FGBERO C[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)N1CCOCC1 ZINC000102420672 257350710 /nfs/dbraw/zinc/35/07/10/257350710.db2.gz KXAMRZLPECPABH-CQSZACIVSA-N 1 0 361.467 3.134 10 5 FGBERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000131438557 494619379 /nfs/dbraw/zinc/61/93/79/494619379.db2.gz NTEPUUAUDQENGX-QGZVFWFLSA-N 1 0 374.485 3.363 10 5 FGBERO CCOCC[N@@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@@H]1CC ZINC000112080450 495142108 /nfs/dbraw/zinc/14/21/08/495142108.db2.gz FQEKKYKJXOHATK-HNNXBMFYSA-N 1 0 358.442 3.080 10 5 FGBERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000106211858 495432479 /nfs/dbraw/zinc/43/24/79/495432479.db2.gz HPHBCODOYPXTSF-QGZVFWFLSA-N 1 0 371.441 3.111 10 5 FGBERO Cc1cnn([C@H]2CCC[N@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000106225645 495439245 /nfs/dbraw/zinc/43/92/45/495439245.db2.gz OFFZKQMMZUIOPB-INIZCTEOSA-N 1 0 371.441 3.074 10 5 FGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)s1 ZINC000121010795 495503196 /nfs/dbraw/zinc/50/31/96/495503196.db2.gz CUAXYQSICSCJIR-OAHLLOKOSA-N 1 0 373.478 3.230 10 5 FGBERO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)cc1[N+](=O)[O-] ZINC000180509753 496025845 /nfs/dbraw/zinc/02/58/45/496025845.db2.gz PYBNSFDFXXNBSK-HIFRSBDPSA-N 1 0 373.457 3.374 10 5 FGBERO CC[C@@H]([NH2+]CC(=O)Nc1nnc(C(C)C)s1)c1cccc([N+](=O)[O-])c1 ZINC000181530127 496433428 /nfs/dbraw/zinc/43/34/28/496433428.db2.gz IMFZFKGTIYGFKD-CYBMUJFWSA-N 1 0 363.443 3.249 10 5 FGBERO CC[C@@H]([NH2+]CC(=O)Nc1ccc(OC)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000181559091 496445554 /nfs/dbraw/zinc/44/55/54/496445554.db2.gz BJFXJUUQEQMWFX-MRXNPFEDSA-N 1 0 373.409 3.291 10 5 FGBERO Cc1ccc([C@@H](C)NC(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000175863948 496578773 /nfs/dbraw/zinc/57/87/73/496578773.db2.gz RUVVFJDBFYBYLX-GDBMZVCRSA-N 1 0 350.463 3.240 10 5 FGBERO COC(=O)/C=C/c1ccc(N[C@H]2CC[N@@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301178565 497984944 /nfs/dbraw/zinc/98/49/44/497984944.db2.gz GXKBFURFHJSABY-HEWZJLJBSA-N 1 0 359.426 3.210 10 5 FGBERO COc1ccc([C@@H]2[C@H](CNc3c([N+](=O)[O-])c(C)nn3C)CCC[N@@H+]2C)cc1 ZINC000301308555 498050078 /nfs/dbraw/zinc/05/00/78/498050078.db2.gz WQZSQOYAGZSQBM-MAUKXSAKSA-N 1 0 373.457 3.140 10 5 FGBERO O=[N+]([O-])c1ccc(Br)cc1N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000301692714 498227032 /nfs/dbraw/zinc/22/70/32/498227032.db2.gz XIBBJRUKUGHGPH-IACUBPJLSA-N 1 0 366.259 3.278 10 5 FGBERO O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)cc1C(F)(F)F ZINC000301739172 498245925 /nfs/dbraw/zinc/24/59/25/498245925.db2.gz WVHPSYKKXRFDID-KGLIPLIRSA-N 1 0 373.375 3.039 10 5 FGBERO O=[N+]([O-])c1ccc(Br)cc1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000087834887 700376877 /nfs/dbraw/zinc/37/68/77/700376877.db2.gz NJWSNNDJSSACEH-ZDUSSCGKSA-N 1 0 354.248 3.326 10 5 FGBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000177506267 705625320 /nfs/dbraw/zinc/62/53/20/705625320.db2.gz FLXZNPWBUZFBCH-QWHCGFSZSA-N 1 0 352.822 3.339 10 5 FGBERO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)c(Cl)c1 ZINC000180730854 705755286 /nfs/dbraw/zinc/75/52/86/705755286.db2.gz JZVSUFMLQIMEAH-BXUZGUMPSA-N 1 0 368.792 3.478 10 5 FGBERO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000182175177 705829082 /nfs/dbraw/zinc/82/90/82/705829082.db2.gz ZICFOFUQLCIMCG-WFASDCNBSA-N 1 0 350.802 3.339 10 5 FGBERO C[C@@H]1C[C@@H](C[NH3+])CN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000262334081 713723805 /nfs/dbraw/zinc/72/38/05/713723805.db2.gz SUNHCAUMJNWUHK-ZJUUUORDSA-N 1 0 365.231 3.079 10 5 FGBERO O=[N+]([O-])c1c(Nc2cc[nH+]cc2)ncnc1Nc1ccc2c(c1)OCCO2 ZINC000040586373 205073340 /nfs/dbraw/zinc/07/33/40/205073340.db2.gz VTHIULYSTMDZKT-UHFFFAOYSA-N 1 0 366.337 3.038 10 5 FGBERO C[NH+](C)C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000007257767 494010963 /nfs/dbraw/zinc/01/09/63/494010963.db2.gz CDULFELZRKFVCY-SFHVURJKSA-N 1 0 368.437 3.202 10 5 FGBERO COc1ccc(OCC[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c([N+](=O)[O-])c1 ZINC000173698276 495653047 /nfs/dbraw/zinc/65/30/47/495653047.db2.gz QVKFGTMPPOFUSX-MRXNPFEDSA-N 1 0 374.441 3.170 10 5 FGBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000177013538 495884167 /nfs/dbraw/zinc/88/41/67/495884167.db2.gz ZTRDNDHCLVMKGG-HNNXBMFYSA-N 1 0 374.466 3.275 10 5 FGBERO CCn1cc(C2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000160457971 495967695 /nfs/dbraw/zinc/96/76/95/495967695.db2.gz SEBUJSATDAJKAL-UHFFFAOYSA-N 1 0 371.441 3.019 10 5 FGBERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000180500034 496022112 /nfs/dbraw/zinc/02/21/12/496022112.db2.gz RRIQCGQCALITSB-UONOGXRCSA-N 1 0 361.467 3.305 10 5 FGBERO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2ccccc2)cc1 ZINC000174660443 496050657 /nfs/dbraw/zinc/05/06/57/496050657.db2.gz MESOWHPCXRDZIQ-YWZLYKJASA-N 1 0 366.421 3.170 10 5 FGBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000177546975 496107510 /nfs/dbraw/zinc/10/75/10/496107510.db2.gz PPUQZHZYYXZLSD-SFHVURJKSA-N 1 0 362.474 3.043 10 5 FGBERO CC[C@@H]([NH2+]CC(=O)Nc1cccc(NC(C)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000181549508 496442233 /nfs/dbraw/zinc/44/22/33/496442233.db2.gz NSVRVYQZZXPRSM-GOSISDBHSA-N 1 0 370.409 3.233 10 5 FGBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000247502077 496874094 /nfs/dbraw/zinc/87/40/94/496874094.db2.gz VCOZNISCRFBPFB-DOMZBBRYSA-N 1 0 372.450 3.027 10 5 FGBERO CC[N@@H+]1CCc2c(cccc2Nc2ccc(C(=O)NC)cc2[N+](=O)[O-])C1 ZINC000301715686 498236061 /nfs/dbraw/zinc/23/60/61/498236061.db2.gz XAKQXHXEHWEPBX-UHFFFAOYSA-N 1 0 354.410 3.076 10 5 FGBERO O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)cc1C(F)(F)F ZINC000301739174 498245351 /nfs/dbraw/zinc/24/53/51/498245351.db2.gz WVHPSYKKXRFDID-ZIAGYGMSSA-N 1 0 373.375 3.039 10 5 FGBERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155163479 705066166 /nfs/dbraw/zinc/06/61/66/705066166.db2.gz XEHGKWDWBJTQBF-JTQLQIEISA-N 1 0 373.251 3.209 10 5 FGBERO O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCC[C@H]1CC[NH2+]C1 ZINC000261945055 713716103 /nfs/dbraw/zinc/71/61/03/713716103.db2.gz MDVLHPDLPLUXNI-SNVBAGLBSA-N 1 0 365.231 3.317 10 5 FGBERO C[NH+](C)C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000007817213 494045517 /nfs/dbraw/zinc/04/55/17/494045517.db2.gz MHWLGHIOZOCSTQ-KRWDZBQOSA-N 1 0 359.451 3.106 10 5 FGBERO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000090687370 494493329 /nfs/dbraw/zinc/49/33/29/494493329.db2.gz FDPUERUDHMYVGZ-QAPCUYQASA-N 1 0 362.474 3.419 10 5 FGBERO CC[C@H](NC(=O)N(CC[NH+](C)C)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090686965 494493625 /nfs/dbraw/zinc/49/36/25/494493625.db2.gz ORAFZYJKGXNEIQ-KRWDZBQOSA-N 1 0 350.463 3.275 10 5 FGBERO CC[C@@H]([NH2+][C@@H](C)CS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000122649414 495009755 /nfs/dbraw/zinc/00/97/55/495009755.db2.gz WXOOOSZOODHHQY-KBXCAEBGSA-N 1 0 362.451 3.498 10 5 FGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)o1 ZINC000128554617 495115374 /nfs/dbraw/zinc/11/53/74/495115374.db2.gz OESFEWTWTVXJRY-OAHLLOKOSA-N 1 0 367.409 3.359 10 5 FGBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](N4CCOCC4)C3)s2)cc1 ZINC000120972585 495495173 /nfs/dbraw/zinc/49/51/73/495495173.db2.gz QUBSPXLNIIFACE-KRWDZBQOSA-N 1 0 373.478 3.230 10 5 FGBERO CCO[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C12CCOCC2 ZINC000186418775 495991284 /nfs/dbraw/zinc/99/12/84/495991284.db2.gz RYLBTQBFIQMRRH-HOTGVXAUSA-N 1 0 354.834 3.312 10 5 FGBERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)C[C@@H]12 ZINC000185036104 496631987 /nfs/dbraw/zinc/63/19/87/496631987.db2.gz QHKUUZUAFBLBON-USXIJHARSA-N 1 0 366.421 3.148 10 5 FGBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000173332446 496647305 /nfs/dbraw/zinc/64/73/05/496647305.db2.gz VCIGPRYLXKYJTJ-DGCLKSJQSA-N 1 0 352.822 3.339 10 5 FGBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000249270093 497184630 /nfs/dbraw/zinc/18/46/30/497184630.db2.gz APFCCRDKRXNUHB-PWSUYJOCSA-N 1 0 372.347 3.314 10 5 FGBERO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000237851848 497302129 /nfs/dbraw/zinc/30/21/29/497302129.db2.gz WZJRUJBOKZZEJP-KRWDZBQOSA-N 1 0 368.437 3.160 10 5 FGBERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)n1 ZINC000255841538 497375695 /nfs/dbraw/zinc/37/56/95/497375695.db2.gz DTANYTCLKBFFFP-UXHZXRBQSA-N 1 0 355.442 3.229 10 5 FGBERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190465007 497490107 /nfs/dbraw/zinc/49/01/07/497490107.db2.gz LETNHBQMSYCHCJ-INIZCTEOSA-N 1 0 360.483 3.314 10 5 FGBERO C[C@@H]1CCC[C@](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000301101107 497951849 /nfs/dbraw/zinc/95/18/49/497951849.db2.gz RLLRFEIWVOIWMA-VLIAUNLRSA-N 1 0 374.485 3.409 10 5 FGBERO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1C(N)=O)c1ccc(Cl)cc1 ZINC000301485329 498131531 /nfs/dbraw/zinc/13/15/31/498131531.db2.gz WLIHZMRLKZKUSR-MRXNPFEDSA-N 1 0 362.817 3.062 10 5 FGBERO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)c(Cl)c1 ZINC000181516776 705797552 /nfs/dbraw/zinc/79/75/52/705797552.db2.gz UWUYRRPOFZILAX-SNVBAGLBSA-N 1 0 356.209 3.414 10 5 FGBERO COc1ccc(NC(=O)[N@+]2([C@H](C)Cc3ccccc3)CC(=N)ON2)cc1 ZINC000613825673 717187368 /nfs/dbraw/zinc/18/73/68/717187368.db2.gz OUUIFVQHPLVNOJ-QKFKETGDSA-O 1 0 355.418 3.102 10 5 FGBERO COC(=O)c1ccc(Oc2ncnc(Nc3cc[nH+]cc3)c2[N+](=O)[O-])cc1 ZINC000040586278 205073231 /nfs/dbraw/zinc/07/32/31/205073231.db2.gz YJJPJTQZKBWJAO-UHFFFAOYSA-N 1 0 367.321 3.102 10 5 FGBERO Cc1ccc(Nc2ncnc(N(C)C3CC[NH+](C)CC3)c2[N+](=O)[O-])cc1C ZINC000040590271 205074133 /nfs/dbraw/zinc/07/41/33/205074133.db2.gz KWGRJSLGUIOXAN-UHFFFAOYSA-N 1 0 370.457 3.276 10 5 FGBERO O=[N+]([O-])c1cnc2ccc(Br)cc2c1NC[C@H]1CCC[NH2+]1 ZINC000053255379 257347070 /nfs/dbraw/zinc/34/70/70/257347070.db2.gz GSSDJUNRVBLNGH-SNVBAGLBSA-N 1 0 351.204 3.069 10 5 FGBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000068223140 493781580 /nfs/dbraw/zinc/78/15/80/493781580.db2.gz XHTQDZCIFUPUFN-UONOGXRCSA-N 1 0 353.488 3.168 10 5 FGBERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1F ZINC000126592255 494797358 /nfs/dbraw/zinc/79/73/58/494797358.db2.gz GPFKOYIOSFGWQM-SCLBCKFNSA-N 1 0 357.385 3.498 10 5 FGBERO COc1cc(F)c([N+](=O)[O-])c(Nc2cnn(CC[NH+]3CCCCC3)c2)c1 ZINC000092978356 494800399 /nfs/dbraw/zinc/80/03/99/494800399.db2.gz KKTWNVCZEFPYMX-UHFFFAOYSA-N 1 0 363.393 3.169 10 5 FGBERO Cc1nc(C[C@H]2CCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000171403024 495857474 /nfs/dbraw/zinc/85/74/74/495857474.db2.gz TTXOGMZXFAXDQJ-OAHLLOKOSA-N 1 0 360.414 3.010 10 5 FGBERO CC(C)[N@H+]1C[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000155375816 495938317 /nfs/dbraw/zinc/93/83/17/495938317.db2.gz GRLZMXFWUPARQB-WFASDCNBSA-N 1 0 374.466 3.177 10 5 FGBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000160349202 495942208 /nfs/dbraw/zinc/94/22/08/495942208.db2.gz APFCCRDKRXNUHB-ZYHUDNBSSA-N 1 0 372.347 3.314 10 5 FGBERO CC[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000178674467 496536942 /nfs/dbraw/zinc/53/69/42/496536942.db2.gz LITQASOURFNFQJ-KBXCAEBGSA-N 1 0 371.437 3.349 10 5 FGBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000173332459 496646795 /nfs/dbraw/zinc/64/67/95/496646795.db2.gz VCIGPRYLXKYJTJ-WCQYABFASA-N 1 0 352.822 3.339 10 5 FGBERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C12CCOCC2 ZINC000248634024 497065861 /nfs/dbraw/zinc/06/58/61/497065861.db2.gz JITSFSOHUMCNND-ATZDWAIDSA-N 1 0 362.470 3.480 10 5 FGBERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)C[C@H]12 ZINC000248635877 497067362 /nfs/dbraw/zinc/06/73/62/497067362.db2.gz QHKUUZUAFBLBON-HYVNUMGLSA-N 1 0 366.421 3.148 10 5 FGBERO CCOc1cc(N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000190446584 497482329 /nfs/dbraw/zinc/48/23/29/497482329.db2.gz NGMOONLGHQPOPW-QGZVFWFLSA-N 1 0 370.453 3.347 10 5 FGBERO C[C@@H]1C[NH+](CCC2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)C[C@@H](C)O1 ZINC000301522940 498146917 /nfs/dbraw/zinc/14/69/17/498146917.db2.gz DXIPVRITWFNVKH-HUUCEWRRSA-N 1 0 365.449 3.450 10 5 FGBERO Cc1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000301979813 498354773 /nfs/dbraw/zinc/35/47/73/498354773.db2.gz AMIWWGHZNDRTCW-USXIJHARSA-N 1 0 352.438 3.372 10 5 FGBERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302059088 498389213 /nfs/dbraw/zinc/38/92/13/498389213.db2.gz RIGZKHAQQUXISX-YJBOKZPZSA-N 1 0 355.438 3.410 10 5 FGBERO O=c1[nH]ccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1[N+](=O)[O-] ZINC000596194572 506303295 /nfs/dbraw/zinc/30/32/95/506303295.db2.gz OXHPVUQYQQBYQS-OWCLPIDISA-N 1 0 354.410 3.018 10 5 FGBERO C[C@H]1C[C@@H](C[NH3+])CN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000262334073 713723917 /nfs/dbraw/zinc/72/39/17/713723917.db2.gz SUNHCAUMJNWUHK-UWVGGRQHSA-N 1 0 365.231 3.079 10 5 FGBERO COc1ccc(C(=O)Nc2ccccc2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000041970324 205093055 /nfs/dbraw/zinc/09/30/55/205093055.db2.gz YEGZXQLPNBELRF-UHFFFAOYSA-N 1 0 355.394 3.452 10 5 FGBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000052555831 494039684 /nfs/dbraw/zinc/03/96/84/494039684.db2.gz RFIOADHEGPBLHZ-RDTXWAMCSA-N 1 0 373.478 3.495 10 5 FGBERO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000056182398 494467592 /nfs/dbraw/zinc/46/75/92/494467592.db2.gz WYQKGYBIYJATHF-CHWSQXEVSA-N 1 0 373.409 3.290 10 5 FGBERO CC[C@@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000121540434 494797144 /nfs/dbraw/zinc/79/71/44/494797144.db2.gz ZNZQASUTSXSILC-YVEFUNNKSA-N 1 0 363.439 3.044 10 5 FGBERO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(F)c(F)c1 ZINC000119686144 495218082 /nfs/dbraw/zinc/21/80/82/495218082.db2.gz QPZRPFNPDCLYIC-LLVKDONJSA-N 1 0 361.348 3.113 10 5 FGBERO CC[C@@H]([NH2+][C@@H](C)C(=O)NCc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000178675266 496536821 /nfs/dbraw/zinc/53/68/21/496536821.db2.gz VTFNTQWJXQACIJ-IFXJQAMLSA-N 1 0 371.437 3.349 10 5 FGBERO NC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000301116519 497957955 /nfs/dbraw/zinc/95/79/55/497957955.db2.gz UROUUEWBTMWSKI-QGZVFWFLSA-N 1 0 368.437 3.160 10 5 FGBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000245426026 713604878 /nfs/dbraw/zinc/60/48/78/713604878.db2.gz FLXZNPWBUZFBCH-STQMWFEESA-N 1 0 352.822 3.339 10 5 FGBERO COc1ccc2c(c1OC)C[N@+]1(C)CCc3cc4c(cc3[C@H]1C2)OCO4 ZINC000250846565 717165421 /nfs/dbraw/zinc/16/54/21/717165421.db2.gz IPABSWBNWMXCHM-VGSWGCGISA-N 1 0 354.426 3.233 10 5 FGBERO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1[N+](=O)[O-] ZINC000089732603 494350787 /nfs/dbraw/zinc/35/07/87/494350787.db2.gz KWBSBYDZIZEXFI-GOEBONIOSA-N 1 0 371.441 3.103 10 5 FGBERO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)co2)cc1 ZINC000089910024 494398401 /nfs/dbraw/zinc/39/84/01/494398401.db2.gz IXIGUVHILRMBIP-BEFAXECRSA-N 1 0 357.410 3.377 10 5 FGBERO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(Cl)c1 ZINC000126204672 494671143 /nfs/dbraw/zinc/67/11/43/494671143.db2.gz OUXYEVDIBANHLW-LBPRGKRZSA-N 1 0 359.813 3.488 10 5 FGBERO CC[C@H]([NH2+][C@H](C)CS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000122649654 495010196 /nfs/dbraw/zinc/01/01/96/495010196.db2.gz WXOOOSZOODHHQY-KDOFPFPSSA-N 1 0 362.451 3.498 10 5 FGBERO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](c1cccs1)N1CCOCC1 ZINC000106162684 495422168 /nfs/dbraw/zinc/42/21/68/495422168.db2.gz NAZLUFFXFAVMLY-KRWDZBQOSA-N 1 0 361.467 3.162 10 5 FGBERO CCc1nccn1[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000106217577 495436017 /nfs/dbraw/zinc/43/60/17/495436017.db2.gz IBMQFOAYOJHYDW-KRWDZBQOSA-N 1 0 371.441 3.019 10 5 FGBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000177013574 495883584 /nfs/dbraw/zinc/88/35/84/495883584.db2.gz BGRRRFIIPXQYMW-HNNXBMFYSA-N 1 0 374.466 3.275 10 5 FGBERO CC[C@@H]([NH2+][C@H](C)C(=O)NCc1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000178674487 496536800 /nfs/dbraw/zinc/53/68/00/496536800.db2.gz LITQASOURFNFQJ-RDTXWAMCSA-N 1 0 371.437 3.349 10 5 FGBERO CCC[NH+]1CCC(CNC(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000176060203 496665688 /nfs/dbraw/zinc/66/56/88/496665688.db2.gz GMSDIMAWPHLLDP-GOSISDBHSA-N 1 0 362.474 3.467 10 5 FGBERO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195318513 496886800 /nfs/dbraw/zinc/88/68/00/496886800.db2.gz SSJFNCYABIUBJR-KRWDZBQOSA-N 1 0 366.421 3.259 10 5 FGBERO C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000248543527 497034594 /nfs/dbraw/zinc/03/45/94/497034594.db2.gz CMMIXDFDKAFAGZ-LSDHHAIUSA-N 1 0 373.428 3.474 10 5 FGBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCCN(c3cccnn3)C1)CCC2 ZINC000192999296 497270675 /nfs/dbraw/zinc/27/06/75/497270675.db2.gz KFBLUPMJVGPBJE-MAUKXSAKSA-N 1 0 353.426 3.021 10 5 FGBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000245429400 497400900 /nfs/dbraw/zinc/40/09/00/497400900.db2.gz KJGQQQMUGNREBJ-DZGCQCFKSA-N 1 0 351.472 3.018 10 5 FGBERO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1N1CCOCC1 ZINC000245708810 497510833 /nfs/dbraw/zinc/51/08/33/497510833.db2.gz FQMVPXFQHKUHRA-HNAYVOBHSA-N 1 0 371.437 3.007 10 5 FGBERO C[C@H]1C[NH+](CCC2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)C[C@H](C)O1 ZINC000301522938 498146453 /nfs/dbraw/zinc/14/64/53/498146453.db2.gz DXIPVRITWFNVKH-GJZGRUSLSA-N 1 0 365.449 3.450 10 5 FGBERO C[C@@H]1C[N@@H+](CCC2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)C[C@H](C)O1 ZINC000301522936 498146868 /nfs/dbraw/zinc/14/68/68/498146868.db2.gz DXIPVRITWFNVKH-GASCZTMLSA-N 1 0 365.449 3.450 10 5 FGBERO O=[N+]([O-])c1ccc(Br)cc1N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000301692715 498227364 /nfs/dbraw/zinc/22/73/64/498227364.db2.gz XIBBJRUKUGHGPH-UBHSHLNASA-N 1 0 366.259 3.278 10 5 FGBERO O=[N+]([O-])c1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)ccc1Br ZINC000123021709 700699097 /nfs/dbraw/zinc/69/90/97/700699097.db2.gz KJJJJELWVOTMOF-CYBMUJFWSA-N 1 0 354.248 3.027 10 5 FGBERO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000056182397 494467619 /nfs/dbraw/zinc/46/76/19/494467619.db2.gz WYQKGYBIYJATHF-QWHCGFSZSA-N 1 0 373.409 3.290 10 5 FGBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000160349319 495942321 /nfs/dbraw/zinc/94/23/21/495942321.db2.gz APFCCRDKRXNUHB-CMPLNLGQSA-N 1 0 372.347 3.314 10 5 FGBERO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000180344020 495959556 /nfs/dbraw/zinc/95/95/56/495959556.db2.gz NEUATHZKDWZBPO-AWEZNQCLSA-N 1 0 368.437 3.412 10 5 FGBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000171640838 495961106 /nfs/dbraw/zinc/96/11/06/495961106.db2.gz GNDLNCHUWLPVBH-MRXNPFEDSA-N 1 0 356.426 3.193 10 5 FGBERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ncn1 ZINC000180566130 496047858 /nfs/dbraw/zinc/04/78/58/496047858.db2.gz KYRGDDJKLSWDRT-GOEBONIOSA-N 1 0 370.457 3.055 10 5 FGBERO Cc1ncsc1CN(C)C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000195258406 496865090 /nfs/dbraw/zinc/86/50/90/496865090.db2.gz GXZCSPSTHQEGQK-QGZVFWFLSA-N 1 0 374.510 3.356 10 5 FGBERO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195318505 496886915 /nfs/dbraw/zinc/88/69/15/496886915.db2.gz SSJFNCYABIUBJR-QGZVFWFLSA-N 1 0 366.421 3.259 10 5 FGBERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000252661454 497317229 /nfs/dbraw/zinc/31/72/29/497317229.db2.gz KMXLGPWYBBTNGV-YPMHNXCESA-N 1 0 354.248 3.420 10 5 FGBERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000190467545 497491166 /nfs/dbraw/zinc/49/11/66/497491166.db2.gz DOMBCRRTCWDBSG-CYBMUJFWSA-N 1 0 366.512 3.375 10 5 FGBERO Cn1cc([C@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)[NH+](C)C)cn1 ZINC000301290617 498042486 /nfs/dbraw/zinc/04/24/86/498042486.db2.gz OWAXCTRPADQDIZ-AWEZNQCLSA-N 1 0 357.336 3.062 10 5 FGBERO COc1ccc([C@@H]2[C@@H](CNc3ccc([N+](=O)[O-])cn3)CCC[N@@H+]2C)cc1 ZINC000301298623 498046509 /nfs/dbraw/zinc/04/65/09/498046509.db2.gz QDMMLHFOGQDMFY-DNVCBOLYSA-N 1 0 356.426 3.493 10 5 FGBERO Cc1cc([N+](=O)[O-])cc(Cl)c1N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000302664036 498526551 /nfs/dbraw/zinc/52/65/51/498526551.db2.gz JAIYMAYHMAHVPT-ZDUSSCGKSA-N 1 0 355.866 3.086 10 5 FGBERO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)c(Cl)c1 ZINC000181516755 705797598 /nfs/dbraw/zinc/79/75/98/705797598.db2.gz UWUYRRPOFZILAX-JTQLQIEISA-N 1 0 356.209 3.414 10 5 FGBERO O=[N+]([O-])c1cccc(Nc2ncnc(Nc3cc[nH+]cc3)c2[N+](=O)[O-])c1 ZINC000040586391 205072723 /nfs/dbraw/zinc/07/27/23/205072723.db2.gz GWAZYRXPYCJXGE-UHFFFAOYSA-N 1 0 353.298 3.175 10 5 FGBERO Cc1cccc(Nc2ncnc(N(C)C3CC[NH+](C)CC3)c2[N+](=O)[O-])c1C ZINC000040620830 205074691 /nfs/dbraw/zinc/07/46/91/205074691.db2.gz VMSTXWHKWNRGFK-UHFFFAOYSA-N 1 0 370.457 3.276 10 5 FGBERO Cc1ccc(C)c(Nc2ncnc(N(C)C3CC[NH+](C)CC3)c2[N+](=O)[O-])c1 ZINC000040592335 205075087 /nfs/dbraw/zinc/07/50/87/205075087.db2.gz YANQODKSCDNVIO-UHFFFAOYSA-N 1 0 370.457 3.276 10 5 FGBERO C[C@@H](Cc1c[nH]c2ccccc12)[NH2+]C[C@@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000000820765 493775082 /nfs/dbraw/zinc/77/50/82/493775082.db2.gz NBKMSNCZRZNOKY-WMLDXEAASA-N 1 0 369.421 3.037 10 5 FGBERO O=[N+]([O-])c1ccc2oc(C[N@@H+]3C[C@@H](c4ccsc4)[C@H](CO)C3)nc2c1 ZINC000188157599 496704197 /nfs/dbraw/zinc/70/41/97/496704197.db2.gz DLDVEPWBCHGJJW-JSGCOSHPSA-N 1 0 359.407 3.005 10 5 FGBERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000261611072 497418785 /nfs/dbraw/zinc/41/87/85/497418785.db2.gz FQHZXCUYDXHYCP-RPBQFNSTSA-N 1 0 359.451 3.445 10 5 FGBERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000190468270 497491550 /nfs/dbraw/zinc/49/15/50/497491550.db2.gz GUYRGIOYIAQVGU-HNNXBMFYSA-N 1 0 360.483 3.314 10 5 FGBERO C[C@@H]1CCC[C@@](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000301090414 497946336 /nfs/dbraw/zinc/94/63/36/497946336.db2.gz NRIFOLVQWRPVOG-KZULUSFZSA-N 1 0 359.430 3.166 10 5 FGBERO COc1ccc([C@@H]2[C@H](CNc3ncccc3[N+](=O)[O-])CCC[N@@H+]2C)cc1 ZINC000301246628 498019289 /nfs/dbraw/zinc/01/92/89/498019289.db2.gz AWTWMMKQCIGLLR-MAUKXSAKSA-N 1 0 356.426 3.493 10 5 FGBERO COc1ccc([C@H]2[C@@H](CNc3ccc([N+](=O)[O-])cn3)CCC[N@@H+]2C)cc1 ZINC000301298622 498046634 /nfs/dbraw/zinc/04/66/34/498046634.db2.gz QDMMLHFOGQDMFY-BEFAXECRSA-N 1 0 356.426 3.493 10 5 FGBERO COc1ccc([C@@H]2[C@@H](CNc3c([N+](=O)[O-])c(C)nn3C)CCC[N@@H+]2C)cc1 ZINC000301308554 498050380 /nfs/dbraw/zinc/05/03/80/498050380.db2.gz WQZSQOYAGZSQBM-CRAIPNDOSA-N 1 0 373.457 3.140 10 5 FGBERO CCc1nn(C)c(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000301923530 498330578 /nfs/dbraw/zinc/33/05/78/498330578.db2.gz FUWCZWWKNATIMR-INIZCTEOSA-N 1 0 357.458 3.357 10 5 FGBERO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000302697415 498535585 /nfs/dbraw/zinc/53/55/85/498535585.db2.gz TXRMGITZVBHZEB-CYBMUJFWSA-N 1 0 353.850 3.246 10 5 FGBERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000311059594 713801513 /nfs/dbraw/zinc/80/15/13/713801513.db2.gz WQFCEHFEFQQMPW-ZDUSSCGKSA-N 1 0 361.829 3.499 10 5 FGBERO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCN(c2cccnn2)C1 ZINC000116277793 494751205 /nfs/dbraw/zinc/75/12/05/494751205.db2.gz DYBKGZDVGSWMGC-HNNXBMFYSA-N 1 0 361.833 3.139 10 5 FGBERO O=C(CC[N@@H+]1CCCC[C@H]1c1cn[nH]c1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129076211 495192673 /nfs/dbraw/zinc/19/26/73/495192673.db2.gz PGBNAMZOYFPUDH-INIZCTEOSA-N 1 0 361.377 3.013 10 5 FGBERO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106160674 495420480 /nfs/dbraw/zinc/42/04/80/495420480.db2.gz KSTDJCKALXSWQK-KRWDZBQOSA-N 1 0 361.467 3.162 10 5 FGBERO CCc1nccn1[C@H]1CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173699167 495652818 /nfs/dbraw/zinc/65/28/18/495652818.db2.gz UBTVNPIMDIPVMK-HNNXBMFYSA-N 1 0 374.441 3.078 10 5 FGBERO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)Nc1ccncc1[N+](=O)[O-] ZINC000183591079 496040289 /nfs/dbraw/zinc/04/02/89/496040289.db2.gz GAJDFUHEOGAHPW-INIZCTEOSA-N 1 0 369.425 3.166 10 5 FGBERO CC[C@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)ncn1)c1cccc([N+](=O)[O-])c1 ZINC000180576801 496052375 /nfs/dbraw/zinc/05/23/75/496052375.db2.gz PCTOIKOWSNXNGM-IRXDYDNUSA-N 1 0 370.457 3.136 10 5 FGBERO CC[C@@H]([NH2+][C@H](C)c1ccc(-n2cnnn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000161628703 496209522 /nfs/dbraw/zinc/20/95/22/496209522.db2.gz HSNFLGWDBCJCIN-FZKQIMNGSA-N 1 0 352.398 3.372 10 5 FGBERO CC[C@@H]([NH2+]CC(=O)NCc1cccc(COC)c1)c1cccc([N+](=O)[O-])c1 ZINC000181543475 496439624 /nfs/dbraw/zinc/43/96/24/496439624.db2.gz UIMNDJXIEGRFRR-LJQANCHMSA-N 1 0 371.437 3.098 10 5 FGBERO CC[C@@H]([NH2+]CC(=O)Nc1ccc(NC(C)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181548287 496440640 /nfs/dbraw/zinc/44/06/40/496440640.db2.gz KMJBQPVVCSYHHF-GOSISDBHSA-N 1 0 370.409 3.233 10 5 FGBERO CCc1nn(C)c(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1[N+](=O)[O-] ZINC000302192774 498436998 /nfs/dbraw/zinc/43/69/98/498436998.db2.gz WGANRVPJNYLNPT-JFIYKMOQSA-N 1 0 369.469 3.213 10 5 FGBERO Cc1cc([N+](=O)[O-])cc(Cl)c1N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000302664035 498526658 /nfs/dbraw/zinc/52/66/58/498526658.db2.gz JAIYMAYHMAHVPT-CYBMUJFWSA-N 1 0 355.866 3.086 10 5 FGBERO O=c1[nH]ccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC000596194571 506303947 /nfs/dbraw/zinc/30/39/47/506303947.db2.gz OXHPVUQYQQBYQS-HRCADAONSA-N 1 0 354.410 3.018 10 5 FGBERO CC(C)(C)OC(=O)N[C@@H]1CC2(CC[NH2+]CC2)Oc2ccc([N+](=O)[O-])cc21 ZINC000675069538 571272120 /nfs/dbraw/zinc/27/21/20/571272120.db2.gz HVVAUVCPAFSSOC-CQSZACIVSA-N 1 0 363.414 3.065 10 5 FGBERO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000008248212 494078694 /nfs/dbraw/zinc/07/86/94/494078694.db2.gz NWXYFSQRSRSJFM-JTQLQIEISA-N 1 0 365.336 3.171 10 5 FGBERO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H](O)COCc2ccccc2)C2CC2)cc1 ZINC000130897900 495463281 /nfs/dbraw/zinc/46/32/81/495463281.db2.gz WSKWCQABWHBRAS-FQEVSTJZSA-N 1 0 356.422 3.137 10 5 FGBERO COc1ccc(OCC[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c([N+](=O)[O-])c1 ZINC000173698262 495653363 /nfs/dbraw/zinc/65/33/63/495653363.db2.gz QVKFGTMPPOFUSX-INIZCTEOSA-N 1 0 374.441 3.170 10 5 FGBERO CC[C@H]([NH2+]C[C@H](O)COc1cccc(C(C)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000181541485 496438049 /nfs/dbraw/zinc/43/80/49/496438049.db2.gz AYPNKCXSOLXWFS-ICSRJNTNSA-N 1 0 372.421 3.278 10 5 FGBERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000261735992 497441724 /nfs/dbraw/zinc/44/17/24/497441724.db2.gz YSLCKZCRIFGHEI-BTOWRCTQSA-N 1 0 371.359 3.249 10 5 FGBERO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000246371771 497710792 /nfs/dbraw/zinc/71/07/92/497710792.db2.gz YOQZZVSJJHGSDZ-MISYRCLQSA-N 1 0 356.422 3.216 10 5 FGBERO C[C@@H]1CCC[C@@](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000301101102 497952084 /nfs/dbraw/zinc/95/20/84/497952084.db2.gz RLLRFEIWVOIWMA-JLTOFOAXSA-N 1 0 374.485 3.409 10 5 FGBERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000123020667 700699050 /nfs/dbraw/zinc/69/90/50/700699050.db2.gz JFRIZBLVIJZAEN-ZDUSSCGKSA-N 1 0 356.264 3.273 10 5 FGBERO CC(=O)Nc1ccc(Nc2ncnc(Nc3cc[nH+]cc3)c2[N+](=O)[O-])cc1 ZINC000040586458 208256020 /nfs/dbraw/zinc/25/60/20/208256020.db2.gz NNBRXMWYAJRBEO-UHFFFAOYSA-N 1 0 365.353 3.225 10 5 FGBERO Cc1cc(C)cc(Nc2ncnc(N(C)C3CC[NH+](C)CC3)c2[N+](=O)[O-])c1 ZINC000040583103 208257495 /nfs/dbraw/zinc/25/74/95/208257495.db2.gz CSVRHMDIMVTOSR-UHFFFAOYSA-N 1 0 370.457 3.276 10 5 FGBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000068223135 493781624 /nfs/dbraw/zinc/78/16/24/493781624.db2.gz XHTQDZCIFUPUFN-KGLIPLIRSA-N 1 0 353.488 3.168 10 5 FGBERO CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090918495 494504265 /nfs/dbraw/zinc/50/42/65/494504265.db2.gz HSNFLGWDBCJCIN-UGSOOPFHSA-N 1 0 352.398 3.372 10 5 FGBERO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000116294801 494753595 /nfs/dbraw/zinc/75/35/95/494753595.db2.gz SNAMRVRHSACKGW-OAHLLOKOSA-N 1 0 359.382 3.362 10 5 FGBERO O=[N+]([O-])c1cc(Cl)cnc1Nc1cnn(CC[NH+]2CCCCC2)c1 ZINC000092978338 494800433 /nfs/dbraw/zinc/80/04/33/494800433.db2.gz HBBPQYJZAFDPRC-UHFFFAOYSA-N 1 0 350.810 3.069 10 5 FGBERO CCc1nccn1[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000106212158 495432631 /nfs/dbraw/zinc/43/26/31/495432631.db2.gz APELAJDVJYCVHV-KRWDZBQOSA-N 1 0 358.442 3.460 10 5 FGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000182749709 495687533 /nfs/dbraw/zinc/68/75/33/495687533.db2.gz ZSJSWKVNBHFFLR-OAHLLOKOSA-N 1 0 355.442 3.355 10 5 FGBERO O=[N+]([O-])c1cccc([C@H](NC[C@@H](O)C[NH+]2CCCCC2)c2ccccc2)c1 ZINC000180211214 495908763 /nfs/dbraw/zinc/90/87/63/495908763.db2.gz UFGFPXKEXVNICH-NHCUHLMSSA-N 1 0 369.465 3.121 10 5 FGBERO CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ncn1 ZINC000180566096 496045919 /nfs/dbraw/zinc/04/59/19/496045919.db2.gz KYRGDDJKLSWDRT-HOCLYGCPSA-N 1 0 370.457 3.055 10 5 FGBERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000181248494 496327082 /nfs/dbraw/zinc/32/70/82/496327082.db2.gz DEALPLVFBHHNTO-ZDUSSCGKSA-N 1 0 351.472 3.309 10 5 FGBERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000175344701 496348582 /nfs/dbraw/zinc/34/85/82/496348582.db2.gz DOTBUHFPBCQQGE-CYBMUJFWSA-N 1 0 373.400 3.121 10 5 FGBERO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccnn1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178675647 496537026 /nfs/dbraw/zinc/53/70/26/496537026.db2.gz LVPSWDQPQMKZMW-CZUORRHYSA-N 1 0 359.430 3.440 10 5 FGBERO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195332995 496892657 /nfs/dbraw/zinc/89/26/57/496892657.db2.gz PHILOOVOADZHCC-MRXNPFEDSA-N 1 0 367.405 3.307 10 5 FGBERO CCO[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C12CCOCC2 ZINC000248628694 497063837 /nfs/dbraw/zinc/06/38/37/497063837.db2.gz GALFMCURSRGIST-MISYRCLQSA-N 1 0 374.481 3.480 10 5 FGBERO C[C@@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000262099499 497508224 /nfs/dbraw/zinc/50/82/24/497508224.db2.gz IREDLCNRHKQIHV-BXKDBHETSA-N 1 0 365.231 3.079 10 5 FGBERO O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262583205 497578262 /nfs/dbraw/zinc/57/82/62/497578262.db2.gz ZICGRTAPWZMHOG-ZDUSSCGKSA-N 1 0 363.215 3.051 10 5 FGBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000246112294 497625184 /nfs/dbraw/zinc/62/51/84/497625184.db2.gz NNDSMIOFPMRBQU-IINYFYTJSA-N 1 0 359.348 3.072 10 5 FGBERO CCC[N@@H+]1CCCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000301403645 498094711 /nfs/dbraw/zinc/09/47/11/498094711.db2.gz SCVBDMSWYICGHL-UHFFFAOYSA-N 1 0 355.442 3.282 10 5 FGBERO C[C@@H](CCCC[NH3+])Nc1ccc(I)cc1[N+](=O)[O-] ZINC000311017084 498750619 /nfs/dbraw/zinc/75/06/19/498750619.db2.gz QEZXDMAWUAAMBV-VIFPVBQESA-N 1 0 363.199 3.129 10 5 FGBERO CCNc1ccc(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000383604931 499546707 /nfs/dbraw/zinc/54/67/07/499546707.db2.gz WFZBNVDELPZKDS-HNNXBMFYSA-N 1 0 370.453 3.277 10 5 FGBERO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)c(Cl)c1 ZINC000180730836 705755488 /nfs/dbraw/zinc/75/54/88/705755488.db2.gz JZVSUFMLQIMEAH-SMDDNHRTSA-N 1 0 368.792 3.478 10 5 FGBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000252707570 713673719 /nfs/dbraw/zinc/67/37/19/713673719.db2.gz XNDBFRHJFMRQJJ-YPMHNXCESA-N 1 0 354.248 3.026 10 5 FGBERO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1[N+](=O)[O-] ZINC000089732604 494350304 /nfs/dbraw/zinc/35/03/04/494350304.db2.gz KWBSBYDZIZEXFI-ZBFHGGJFSA-N 1 0 371.441 3.103 10 5 FGBERO CCC[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000089732080 494350658 /nfs/dbraw/zinc/35/06/58/494350658.db2.gz ZVUNUXOZHXUYJZ-AEFFLSMTSA-N 1 0 355.442 3.485 10 5 FGBERO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(F)c(F)c1 ZINC000126302774 494701764 /nfs/dbraw/zinc/70/17/64/494701764.db2.gz UBFFHXVWGSYCNN-NSHDSACASA-N 1 0 361.348 3.113 10 5 FGBERO CC[C@@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000121540622 494797390 /nfs/dbraw/zinc/79/73/90/494797390.db2.gz ZNZQASUTSXSILC-SJKOYZFVSA-N 1 0 363.439 3.044 10 5 FGBERO CC(=O)c1ccc(Nc2cnn(CC[NH+]3CCCCC3)c2)c([N+](=O)[O-])c1 ZINC000092978349 494800590 /nfs/dbraw/zinc/80/05/90/494800590.db2.gz JFPAMYDSPBKFCP-UHFFFAOYSA-N 1 0 357.414 3.223 10 5 FGBERO CCn1cc(CN2CCCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cn1 ZINC000112695461 495224238 /nfs/dbraw/zinc/22/42/38/495224238.db2.gz JCJCDACXGHLPJY-UHFFFAOYSA-N 1 0 363.849 3.177 10 5 FGBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000120758431 495451950 /nfs/dbraw/zinc/45/19/50/495451950.db2.gz WFWCJMNCUSUZNO-INIZCTEOSA-N 1 0 362.474 3.245 10 5 FGBERO CCOC(=O)c1cc(N2CCC([N@@H+]3CCC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000154933632 495776607 /nfs/dbraw/zinc/77/66/07/495776607.db2.gz MFPXTFWHKWAGHX-AWEZNQCLSA-N 1 0 361.442 3.225 10 5 FGBERO CC[C@@H]([NH2+]C[C@H](O)COCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000181550657 496442170 /nfs/dbraw/zinc/44/21/70/496442170.db2.gz VZJWPRUBTSBBEZ-DOTOQJQBSA-N 1 0 350.440 3.275 10 5 FGBERO CC[C@@H]([NH2+][C@H](C)C(=O)NCCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000178678863 496537997 /nfs/dbraw/zinc/53/79/97/496537997.db2.gz SQTLIFYLPZIKEB-CXAGYDPISA-N 1 0 361.467 3.444 10 5 FGBERO CNC(=O)[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(C)C ZINC000178951740 496627175 /nfs/dbraw/zinc/62/71/75/496627175.db2.gz JPRHEVDXKFAMRB-MRXNPFEDSA-N 1 0 365.817 3.368 10 5 FGBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000248393326 496993120 /nfs/dbraw/zinc/99/31/20/496993120.db2.gz LOCNYMMDKLAWEG-LMMKCTJWSA-N 1 0 359.470 3.249 10 5 FGBERO CCO[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C12CCOCC2 ZINC000248628697 497064213 /nfs/dbraw/zinc/06/42/13/497064213.db2.gz GALFMCURSRGIST-YZGWKJHDSA-N 1 0 374.481 3.480 10 5 FGBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCN(c3cccnn3)C1)CCC2 ZINC000192999313 497270692 /nfs/dbraw/zinc/27/06/92/497270692.db2.gz KFBLUPMJVGPBJE-CRAIPNDOSA-N 1 0 353.426 3.021 10 5 FGBERO CCOc1cc(N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000190446604 497482243 /nfs/dbraw/zinc/48/22/43/497482243.db2.gz NGMOONLGHQPOPW-KRWDZBQOSA-N 1 0 370.453 3.347 10 5 FGBERO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000246371751 497710846 /nfs/dbraw/zinc/71/08/46/497710846.db2.gz YOQZZVSJJHGSDZ-DFQSSKMNSA-N 1 0 356.422 3.216 10 5 FGBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000246778879 497810284 /nfs/dbraw/zinc/81/02/84/497810284.db2.gz CIIZEGXOOQGNAK-IUODEOHRSA-N 1 0 374.466 3.177 10 5 FGBERO O=[N+]([O-])c1ccc(Br)cc1NC[C@H]1C[NH2+]CCC1(F)F ZINC000717018543 722417245 /nfs/dbraw/zinc/41/72/45/722417245.db2.gz ZSFZARZVRFNORY-MRVPVSSYSA-N 1 0 350.163 3.014 10 5 FGBERO CC[C@H]([NH2+][C@H](C)C(=O)NCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000090068425 494436256 /nfs/dbraw/zinc/43/62/56/494436256.db2.gz UJGBVFCWEHPNBG-ACJLOTCBSA-N 1 0 359.401 3.480 10 5 FGBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000131488229 494636064 /nfs/dbraw/zinc/63/60/64/494636064.db2.gz FOUVGJFDECRQME-CYBMUJFWSA-N 1 0 359.348 3.170 10 5 FGBERO CC[C@H]([NH2+][C@@H](C)CS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000122649265 495009732 /nfs/dbraw/zinc/00/97/32/495009732.db2.gz WXOOOSZOODHHQY-KSSFIOAISA-N 1 0 362.451 3.498 10 5 FGBERO Cc1cc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000133500048 495021292 /nfs/dbraw/zinc/02/12/92/495021292.db2.gz AKIMYVCIGZELQJ-HIFRSBDPSA-N 1 0 353.426 3.397 10 5 FGBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](n4cncn4)C3)o2)cc1 ZINC000179465959 495602347 /nfs/dbraw/zinc/60/23/47/495602347.db2.gz XCYSGDAPPCKMCG-MRXNPFEDSA-N 1 0 353.382 3.283 10 5 FGBERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000179715039 495702124 /nfs/dbraw/zinc/70/21/24/495702124.db2.gz LTSYTJUMIBSGQO-ZDUSSCGKSA-N 1 0 361.829 3.499 10 5 FGBERO CCCn1cc(CN2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)CC2)cn1 ZINC000183333297 495935313 /nfs/dbraw/zinc/93/53/13/495935313.db2.gz RYUHXZDXJFDVFC-UHFFFAOYSA-N 1 0 371.485 3.218 10 5 FGBERO CSc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000186883436 496194474 /nfs/dbraw/zinc/19/44/74/496194474.db2.gz QRNDXALWFSKNST-CYBMUJFWSA-N 1 0 351.472 3.167 10 5 FGBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185134454 496675702 /nfs/dbraw/zinc/67/57/02/496675702.db2.gz IJELPIFSPWEQKY-DZGCQCFKSA-N 1 0 351.422 3.074 10 5 FGBERO Cc1nn(C)c(C)c1[C@H]1CCCN1[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000247568566 496891344 /nfs/dbraw/zinc/89/13/44/496891344.db2.gz GWTGJFFILTUQSA-RHSMWYFYSA-N 1 0 371.441 3.109 10 5 FGBERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000190467528 497491689 /nfs/dbraw/zinc/49/16/89/497491689.db2.gz DOMBCRRTCWDBSG-ZDUSSCGKSA-N 1 0 366.512 3.375 10 5 FGBERO COC(=O)c1ccccc1Nc1ncnc(Nc2cc[nH+]cc2)c1[N+](=O)[O-] ZINC000040586370 208257158 /nfs/dbraw/zinc/25/71/58/208257158.db2.gz XTJKPDGONOCYID-UHFFFAOYSA-N 1 0 366.337 3.054 10 5 FGBERO CCCCNc1ncnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC000040595132 208258923 /nfs/dbraw/zinc/25/89/23/208258923.db2.gz ISRJZZDPUASLLO-UHFFFAOYSA-N 1 0 350.467 3.318 10 5 FGBERO CC[C@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000090610871 494487513 /nfs/dbraw/zinc/48/75/13/494487513.db2.gz DXMUCMDMTCMBEB-BBRMVZONSA-N 1 0 350.463 3.321 10 5 FGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116293178 494752803 /nfs/dbraw/zinc/75/28/03/494752803.db2.gz ZPFMJKZDLAWRAJ-OAHLLOKOSA-N 1 0 359.382 3.362 10 5 FGBERO CCCC(=O)N[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000104682574 495296784 /nfs/dbraw/zinc/29/67/84/495296784.db2.gz PXGUHGMMYSCBIB-MRXNPFEDSA-N 1 0 363.458 3.263 10 5 FGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)s1 ZINC000121010657 495502985 /nfs/dbraw/zinc/50/29/85/495502985.db2.gz CUAXYQSICSCJIR-HNNXBMFYSA-N 1 0 373.478 3.230 10 5 FGBERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000170866005 495633552 /nfs/dbraw/zinc/63/35/52/495633552.db2.gz JQFSINZAAPXRES-OAHLLOKOSA-N 1 0 355.394 3.163 10 5 FGBERO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)cc1[N+](=O)[O-] ZINC000180509716 496026073 /nfs/dbraw/zinc/02/60/73/496026073.db2.gz PYBNSFDFXXNBSK-UKRRQHHQSA-N 1 0 373.457 3.374 10 5 FGBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190492286 497503048 /nfs/dbraw/zinc/50/30/48/497503048.db2.gz YGBSMXVKFLGXFD-GOSISDBHSA-N 1 0 354.454 3.252 10 5 FGBERO C[N+](C)(C)CCO[P@@](=O)([O-])OCCCCCCCCCCC[NH3+] ZINC000096031232 717140692 /nfs/dbraw/zinc/14/06/92/717140692.db2.gz NOWSHNJWUJJAAX-UHFFFAOYSA-O 1 0 353.464 3.296 10 5 FGBERO COc1ccc(NC(=O)[N@@+]2([C@@H](C)Cc3ccccc3)CC(=N)ON2)cc1 ZINC000613825672 717187479 /nfs/dbraw/zinc/18/74/79/717187479.db2.gz OUUIFVQHPLVNOJ-PSLXWICFSA-O 1 0 355.418 3.102 10 5 FGBERO C[C@H](Cc1c[nH]c2ccccc12)[NH2+]C[C@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000000820764 493774498 /nfs/dbraw/zinc/77/44/98/493774498.db2.gz NBKMSNCZRZNOKY-PBHICJAKSA-N 1 0 369.421 3.037 10 5 FGBERO CCC[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000089732083 494350195 /nfs/dbraw/zinc/35/01/95/494350195.db2.gz ZVUNUXOZHXUYJZ-FUHWJXTLSA-N 1 0 355.442 3.485 10 5 FGBERO O=[N+]([O-])c1ccccc1OCCN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121078641 494582894 /nfs/dbraw/zinc/58/28/94/494582894.db2.gz JKMUQALNCGXTMO-SUMWQHHRSA-N 1 0 364.348 3.060 10 5 FGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCc4ncnn4C3)o2)c(Cl)c1 ZINC000109072320 494827177 /nfs/dbraw/zinc/82/71/77/494827177.db2.gz QMXGWCBRZRQEER-NSHDSACASA-N 1 0 373.800 3.204 10 5 FGBERO CC[C@@H](NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000133837316 495068342 /nfs/dbraw/zinc/06/83/42/495068342.db2.gz JKIXXTCBDMIDAP-MAUKXSAKSA-N 1 0 362.474 3.323 10 5 FGBERO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@@H](Cn4cncn4)C3)o2)c1 ZINC000128598872 495121967 /nfs/dbraw/zinc/12/19/67/495121967.db2.gz VNPFEELZZXFABB-OAHLLOKOSA-N 1 0 367.409 3.359 10 5 FGBERO C[NH+](C)C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000129891001 495311742 /nfs/dbraw/zinc/31/17/42/495311742.db2.gz ZDGHUYHHMJCABZ-SFHVURJKSA-N 1 0 352.394 3.109 10 5 FGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114201618 495354054 /nfs/dbraw/zinc/35/40/54/495354054.db2.gz WJQRVPPRFMKLSF-QGZVFWFLSA-N 1 0 357.414 3.182 10 5 FGBERO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000120456073 495383334 /nfs/dbraw/zinc/38/33/34/495383334.db2.gz BFRJIOLWWXQSEN-OLZOCXBDSA-N 1 0 373.409 3.290 10 5 FGBERO Cc1nc(C[C@@H]2CCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000171403021 495857548 /nfs/dbraw/zinc/85/75/48/495857548.db2.gz TTXOGMZXFAXDQJ-HNNXBMFYSA-N 1 0 360.414 3.010 10 5 FGBERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C12CCOCC2 ZINC000186418794 495990705 /nfs/dbraw/zinc/99/07/05/495990705.db2.gz RYLBTQBFIQMRRH-HZPDHXFCSA-N 1 0 354.834 3.312 10 5 FGBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000177546955 496107321 /nfs/dbraw/zinc/10/73/21/496107321.db2.gz PPUQZHZYYXZLSD-GOSISDBHSA-N 1 0 362.474 3.043 10 5 FGBERO CC[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176140111 496700953 /nfs/dbraw/zinc/70/09/53/496700953.db2.gz UCSBGIAOVPNJME-CRAIPNDOSA-N 1 0 362.474 3.466 10 5 FGBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCN(c3cccnn3)C1)CCC2 ZINC000248879204 497123687 /nfs/dbraw/zinc/12/36/87/497123687.db2.gz KFBLUPMJVGPBJE-QAPCUYQASA-N 1 0 353.426 3.021 10 5 FGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000245515874 497437408 /nfs/dbraw/zinc/43/74/08/497437408.db2.gz FADARTIZQMPRDF-WBVHZDCISA-N 1 0 355.442 3.355 10 5 FGBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000245791439 497539436 /nfs/dbraw/zinc/53/94/36/497539436.db2.gz WDSRGXLTHMBSDV-DYVFJYSZSA-N 1 0 358.467 3.387 10 5 FGBERO CC[C@H]([NH2+]Cc1ccc(N(C)CCOC)nc1)c1cccc([N+](=O)[O-])c1 ZINC000191289958 497770554 /nfs/dbraw/zinc/77/05/54/497770554.db2.gz ZUJAKAAHDISWHZ-SFHVURJKSA-N 1 0 358.442 3.313 10 5 FGBERO Cc1ccc([C@@H]2CCCC[N@@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000246577056 497780428 /nfs/dbraw/zinc/78/04/28/497780428.db2.gz FGLYPGYMFXTWPU-AEFFLSMTSA-N 1 0 360.410 3.463 10 5 FGBERO Cc1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000301979811 498354865 /nfs/dbraw/zinc/35/48/65/498354865.db2.gz AMIWWGHZNDRTCW-BHYGNILZSA-N 1 0 352.438 3.372 10 5 FGBERO [NH3+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000178330623 705662130 /nfs/dbraw/zinc/66/21/30/705662130.db2.gz FVZHPFKSLBYARG-ZDUSSCGKSA-N 1 0 357.435 3.309 10 5 FGBERO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)c(Cl)c1 ZINC000182405951 705839517 /nfs/dbraw/zinc/83/95/17/705839517.db2.gz LIKMIHLMEAPKOZ-YPMHNXCESA-N 1 0 368.792 3.478 10 5 FGBERO O=[N+]([O-])c1cnc2ccc(Br)cc2c1NC[C@@H]1CCC[NH2+]1 ZINC000053255378 257346752 /nfs/dbraw/zinc/34/67/52/257346752.db2.gz GSSDJUNRVBLNGH-JTQLQIEISA-N 1 0 351.204 3.069 10 5 FGBERO C[NH+](C)CCN1C(=O)c2cccc3cc4c(cccc4[N+](=O)[O-])c(c32)C1=O ZINC000003805650 493857735 /nfs/dbraw/zinc/85/77/35/493857735.db2.gz MTZHISSFBWKEQT-UHFFFAOYSA-N 1 0 363.373 3.059 10 5 FGBERO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N[C@@H]1CCC[NH2+]C1 ZINC000071397630 494091902 /nfs/dbraw/zinc/09/19/02/494091902.db2.gz UTCZQRYKGTVNQM-SNVBAGLBSA-N 1 0 351.204 3.069 10 5 FGBERO CC[C@H]([NH2+][C@H](C)C(=O)NCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090068788 494436242 /nfs/dbraw/zinc/43/62/42/494436242.db2.gz VMOGSUHXLRGVGN-ACJLOTCBSA-N 1 0 359.401 3.480 10 5 FGBERO CCC[NH+]1CCC(CNC(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000090553776 494481738 /nfs/dbraw/zinc/48/17/38/494481738.db2.gz GMSDIMAWPHLLDP-SFHVURJKSA-N 1 0 362.474 3.467 10 5 FGBERO [NH3+][C@@H](CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-])C1CC1 ZINC000133175403 494980003 /nfs/dbraw/zinc/98/00/03/494980003.db2.gz CGFVBXKRLIKBJW-NSHDSACASA-N 1 0 351.204 3.055 10 5 FGBERO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000120456179 495383176 /nfs/dbraw/zinc/38/31/76/495383176.db2.gz BFRJIOLWWXQSEN-QWHCGFSZSA-N 1 0 373.409 3.290 10 5 FGBERO C[NH+](C)C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000125389532 495436816 /nfs/dbraw/zinc/43/68/16/495436816.db2.gz MKTCOZTUNDCHCO-IBGZPJMESA-N 1 0 366.421 3.038 10 5 FGBERO CC[C@@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176684740 495746216 /nfs/dbraw/zinc/74/62/16/495746216.db2.gz BQDKTVSBHWHVER-GOSISDBHSA-N 1 0 362.474 3.419 10 5 FGBERO CC[C@@H]([NH2+]C[C@@H](O)COCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000181550687 496441465 /nfs/dbraw/zinc/44/14/65/496441465.db2.gz VZJWPRUBTSBBEZ-NVXWUHKLSA-N 1 0 350.440 3.275 10 5 FGBERO Cc1ccc([C@@H]2CCCC[N@@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000181909375 496595740 /nfs/dbraw/zinc/59/57/40/496595740.db2.gz OFFPNOJWKFATIF-HOTGVXAUSA-N 1 0 360.410 3.463 10 5 FGBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000247502085 496873655 /nfs/dbraw/zinc/87/36/55/496873655.db2.gz VCOZNISCRFBPFB-WFASDCNBSA-N 1 0 372.450 3.027 10 5 FGBERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000193089219 497299935 /nfs/dbraw/zinc/29/99/35/497299935.db2.gz NHOHNCGNZQNTDU-WMLDXEAASA-N 1 0 355.442 3.292 10 5 FGBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000246112303 497625613 /nfs/dbraw/zinc/62/56/13/497625613.db2.gz NNDSMIOFPMRBQU-QMTHXVAHSA-N 1 0 359.348 3.072 10 5 FGBERO COc1ccc([C@H]2[C@H](CNc3ccc([N+](=O)[O-])cn3)CCC[N@@H+]2C)cc1 ZINC000301298625 498045798 /nfs/dbraw/zinc/04/57/98/498045798.db2.gz QDMMLHFOGQDMFY-KXBFYZLASA-N 1 0 356.426 3.493 10 5 FGBERO C[C@H]1C[C@@H](CNc2cc(CO)ccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000302016984 498369455 /nfs/dbraw/zinc/36/94/55/498369455.db2.gz CLSYWFJZIWQWLR-YJBOKZPZSA-N 1 0 355.438 3.410 10 5 FGBERO CC[N@H+](C)[C@H]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000302759039 498561906 /nfs/dbraw/zinc/56/19/06/498561906.db2.gz JNDSPKLWNJDHQM-KRWDZBQOSA-N 1 0 353.422 3.356 10 5 FGBERO O=[N+]([O-])c1ccc(F)cc1NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000302789658 498575395 /nfs/dbraw/zinc/57/53/95/498575395.db2.gz FLDFOXZYFQCNLH-KRWDZBQOSA-N 1 0 359.401 3.437 10 5 FGBERO O=c1[nH]ccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC000596194569 506303479 /nfs/dbraw/zinc/30/34/79/506303479.db2.gz OXHPVUQYQQBYQS-ARFHVFGLSA-N 1 0 354.410 3.018 10 5 FGBERO C[C@@H]([NH3+])[C@@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000262368649 713724192 /nfs/dbraw/zinc/72/41/92/713724192.db2.gz XGYBWDPKDKGYFL-NXEZZACHSA-N 1 0 365.231 3.079 10 5 FGBERO O=[N+]([O-])c1cncc(Br)c1NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262473165 713726406 /nfs/dbraw/zinc/72/64/06/713726406.db2.gz JJTBQLVBWICGHV-CYBMUJFWSA-N 1 0 363.215 3.051 10 5 FGBERO COc1cc2c(c3c[n+](C)c4c5cc6c(cc5ccc4c13)OCO6)OCO2 ZINC000001530392 493796771 /nfs/dbraw/zinc/79/67/71/493796771.db2.gz RNSBFHHWMMKJAM-UHFFFAOYSA-N 1 0 362.361 3.437 10 5 in-vitro FGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCc3ncnn3C2)s1 ZINC000109072508 494826730 /nfs/dbraw/zinc/82/67/30/494826730.db2.gz WXWZJBOKFSPIMT-GFCCVEGCSA-N 1 0 355.423 3.019 10 5 FGBERO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(F)c(F)c1 ZINC000109146885 494838218 /nfs/dbraw/zinc/83/82/18/494838218.db2.gz JIFJUZJARBXQNJ-DIFFPNOSSA-N 1 0 361.348 3.329 10 5 FGBERO CCOCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H]1CC ZINC000110560700 494988699 /nfs/dbraw/zinc/98/86/99/494988699.db2.gz BIBOVDOQFZEQTM-HNNXBMFYSA-N 1 0 358.442 3.080 10 5 FGBERO O=C(CC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129076024 495192450 /nfs/dbraw/zinc/19/24/50/495192450.db2.gz PGBNAMZOYFPUDH-MRXNPFEDSA-N 1 0 361.377 3.013 10 5 FGBERO CC[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000176365157 495621424 /nfs/dbraw/zinc/62/14/24/495621424.db2.gz OHRVACQVRQBZRG-YCXXCVGLSA-N 1 0 360.458 3.360 10 5 FGBERO Cc1ccc(N2CCC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)nn1 ZINC000182749090 495687485 /nfs/dbraw/zinc/68/74/85/495687485.db2.gz JQCVUEXRGKFICI-MRXNPFEDSA-N 1 0 355.442 3.275 10 5 FGBERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000179721292 495704603 /nfs/dbraw/zinc/70/46/03/495704603.db2.gz KYTGWKURPLTVFT-AWEZNQCLSA-N 1 0 366.421 3.326 10 5 FGBERO CC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000178672507 496535257 /nfs/dbraw/zinc/53/52/57/496535257.db2.gz NUQNOKDDIWGRDZ-GUYCJALGSA-N 1 0 370.409 3.372 10 5 FGBERO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000178673316 496536274 /nfs/dbraw/zinc/53/62/74/496536274.db2.gz GOZVMCPWVTWCGT-BLLLJJGKSA-N 1 0 371.393 3.391 10 5 FGBERO CC[C@@H]([NH2+][C@@H](C)C(=O)NCCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000178678850 496537620 /nfs/dbraw/zinc/53/76/20/496537620.db2.gz SQTLIFYLPZIKEB-SUMWQHHRSA-N 1 0 361.467 3.444 10 5 FGBERO [NH3+]C1(CNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CCC1 ZINC000236210817 497116185 /nfs/dbraw/zinc/11/61/85/497116185.db2.gz ZOKRWGKQQRZXJP-UHFFFAOYSA-N 1 0 351.204 3.199 10 5 FGBERO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCCC[C@H]3C[NH3+])cc2[N+](=O)[O-])C1 ZINC000262553874 497573946 /nfs/dbraw/zinc/57/39/46/497573946.db2.gz UWGWSWYGVBNOKA-INMHGKMJSA-N 1 0 374.485 3.031 10 5 FGBERO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000182175217 705829131 /nfs/dbraw/zinc/82/91/31/705829131.db2.gz ZICFOFUQLCIMCG-SWLSCSKDSA-N 1 0 350.802 3.339 10 5 FGBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000131488438 494636374 /nfs/dbraw/zinc/63/63/74/494636374.db2.gz FOUVGJFDECRQME-ZDUSSCGKSA-N 1 0 359.348 3.170 10 5 FGBERO Cn1cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093585049 494901167 /nfs/dbraw/zinc/90/11/67/494901167.db2.gz RBJHHWXXLADBAO-XLIONFOSSA-N 1 0 370.453 3.122 10 5 FGBERO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000114201630 495353491 /nfs/dbraw/zinc/35/34/91/495353491.db2.gz SDYPKWGBKNJKTF-QGZVFWFLSA-N 1 0 357.414 3.182 10 5 FGBERO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000114201633 495353693 /nfs/dbraw/zinc/35/36/93/495353693.db2.gz SDYPKWGBKNJKTF-KRWDZBQOSA-N 1 0 357.414 3.182 10 5 FGBERO O=[N+]([O-])c1cccc([C@H](NC[C@H](O)C[NH+]2CCCCC2)c2ccccc2)c1 ZINC000180211177 495908775 /nfs/dbraw/zinc/90/87/75/495908775.db2.gz UFGFPXKEXVNICH-LEWJYISDSA-N 1 0 369.465 3.121 10 5 FGBERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ncn1 ZINC000180566112 496046148 /nfs/dbraw/zinc/04/61/48/496046148.db2.gz KYRGDDJKLSWDRT-GDBMZVCRSA-N 1 0 370.457 3.055 10 5 FGBERO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000261405980 497410034 /nfs/dbraw/zinc/41/00/34/497410034.db2.gz OZZMGFFUMYLYRT-CQSZACIVSA-N 1 0 360.458 3.163 10 5 FGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000245515871 497437688 /nfs/dbraw/zinc/43/76/88/497437688.db2.gz FADARTIZQMPRDF-RDJZCZTQSA-N 1 0 355.442 3.355 10 5 FGBERO C[NH2+][C@@H]1CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000261941266 497480440 /nfs/dbraw/zinc/48/04/40/497480440.db2.gz LLZQPSUNWJAPJW-LLVKDONJSA-N 1 0 365.231 3.094 10 5 FGBERO COc1ccc([C@H]2[C@H](CNc3c([N+](=O)[O-])c(C)nn3C)CCC[N@@H+]2C)cc1 ZINC000301308557 498049653 /nfs/dbraw/zinc/04/96/53/498049653.db2.gz WQZSQOYAGZSQBM-YJBOKZPZSA-N 1 0 373.457 3.140 10 5 FGBERO C[C@@H]1C[NH+](CCC2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000301565693 498165784 /nfs/dbraw/zinc/16/57/84/498165784.db2.gz PXJNCEUBPIIDCG-HUUCEWRRSA-N 1 0 365.449 3.450 10 5 FGBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000123022264 700699154 /nfs/dbraw/zinc/69/91/54/700699154.db2.gz XNDBFRHJFMRQJJ-WCQYABFASA-N 1 0 354.248 3.026 10 5 FGBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000245426025 713604852 /nfs/dbraw/zinc/60/48/52/713604852.db2.gz FLXZNPWBUZFBCH-OLZOCXBDSA-N 1 0 352.822 3.339 10 5 FGBERO C[N+]12CCC(CC1)[C@@H](OC(=O)[C@](O)(c1ccccc1)C1CCCCC1)C2 ZINC000001842900 210227163 /nfs/dbraw/zinc/22/71/63/210227163.db2.gz UEJRWWYWBNGGBE-MNHJKZGYSA-N 1 0 358.502 3.237 10 5 in-man FGBERO C[C@H]1C[NH+](CC2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000091478908 494607389 /nfs/dbraw/zinc/60/73/89/494607389.db2.gz QIMILONIXKSLET-KBPBESRZSA-N 1 0 351.422 3.060 10 5 FGBERO C[NH+](C)C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000024276816 494618177 /nfs/dbraw/zinc/61/81/77/494618177.db2.gz XUSWNQZFEHXJSP-IBGZPJMESA-N 1 0 370.453 3.206 10 5 FGBERO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(F)c(F)c1 ZINC000119686012 495217670 /nfs/dbraw/zinc/21/76/70/495217670.db2.gz QPZRPFNPDCLYIC-NSHDSACASA-N 1 0 361.348 3.113 10 5 FGBERO CCn1cc(-c2ccc([N+](=O)[O-])cc2)cc1C(=O)NCC[NH+]1CCCCC1 ZINC000114747773 495421264 /nfs/dbraw/zinc/42/12/64/495421264.db2.gz BQNUDDUPDSENDB-UHFFFAOYSA-N 1 0 370.453 3.299 10 5 FGBERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)C12CCOCC2 ZINC000185658744 495667131 /nfs/dbraw/zinc/66/71/31/495667131.db2.gz OBYFRPRZEAKSIG-JKSUJKDBSA-N 1 0 354.834 3.312 10 5 FGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000182752846 495689449 /nfs/dbraw/zinc/68/94/49/495689449.db2.gz ATDROERQADRBRZ-KRWDZBQOSA-N 1 0 371.485 3.257 10 5 FGBERO CC[C@@H](NC(=O)NC[C@@H](c1ccco1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000175542147 496433793 /nfs/dbraw/zinc/43/37/93/496433793.db2.gz PEOMAMUVODHHFT-CVEARBPZSA-N 1 0 360.414 3.241 10 5 FGBERO CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000178672554 496535476 /nfs/dbraw/zinc/53/54/76/496535476.db2.gz NUQNOKDDIWGRDZ-CXAGYDPISA-N 1 0 370.409 3.372 10 5 FGBERO CC[C@@H]([NH2+][C@H](C)C(=O)NCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178675109 496536283 /nfs/dbraw/zinc/53/62/83/496536283.db2.gz VMOGSUHXLRGVGN-FZKQIMNGSA-N 1 0 359.401 3.480 10 5 FGBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185134477 496675429 /nfs/dbraw/zinc/67/54/29/496675429.db2.gz IJELPIFSPWEQKY-UKRRQHHQSA-N 1 0 351.422 3.074 10 5 FGBERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000193089203 497299816 /nfs/dbraw/zinc/29/98/16/497299816.db2.gz NHOHNCGNZQNTDU-RHSMWYFYSA-N 1 0 355.442 3.292 10 5 FGBERO Cn1cc([C@@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)[NH+](C)C)cn1 ZINC000301290619 498042008 /nfs/dbraw/zinc/04/20/08/498042008.db2.gz OWAXCTRPADQDIZ-CQSZACIVSA-N 1 0 357.336 3.062 10 5 FGBERO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)c(Cl)c1 ZINC000182405932 705839577 /nfs/dbraw/zinc/83/95/77/705839577.db2.gz LIKMIHLMEAPKOZ-AAEUAGOBSA-N 1 0 368.792 3.478 10 5 FGBERO C[C@H]1C[C@H](C[NH3+])CN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000262334077 713723906 /nfs/dbraw/zinc/72/39/06/713723906.db2.gz SUNHCAUMJNWUHK-VHSXEESVSA-N 1 0 365.231 3.079 10 5 FGBERO CC[N+](C)(C)C1CC(C)(C)N(OI)C(C)(C)C1 ZINC000204996658 717159260 /nfs/dbraw/zinc/15/92/60/717159260.db2.gz HQUGUXHEWDCRTD-UHFFFAOYSA-N 1 0 355.284 3.386 10 5 FGBERO COC1=CC=C2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@+]3(C)CC2CC2)[C@H]1O5 ZINC000504739985 717183421 /nfs/dbraw/zinc/18/34/21/717183421.db2.gz QHTFLJNINQNDQV-FGSBKAERSA-O 1 0 352.454 3.046 10 5 FGBERO Cc1cc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000133499836 495021056 /nfs/dbraw/zinc/02/10/56/495021056.db2.gz AKIMYVCIGZELQJ-UKRRQHHQSA-N 1 0 353.426 3.397 10 5 FGBERO CCn1cc(C2CC[NH+](CCOc3ccc(OC)cc3[N+](=O)[O-])CC2)cn1 ZINC000173605016 495610003 /nfs/dbraw/zinc/61/00/03/495610003.db2.gz PBNZWDBTKYGVJF-UHFFFAOYSA-N 1 0 374.441 3.078 10 5 FGBERO CC[C@@H]([NH2+]CC(=O)NCc1ccccc1COC)c1cccc([N+](=O)[O-])c1 ZINC000181543433 496439031 /nfs/dbraw/zinc/43/90/31/496439031.db2.gz MMTUMUWKHLPDGK-LJQANCHMSA-N 1 0 371.437 3.098 10 5 FGBERO CC[C@H]([NH2+][C@H](C)C(=O)NC(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000178672537 496535223 /nfs/dbraw/zinc/53/52/23/496535223.db2.gz NUQNOKDDIWGRDZ-DYVFJYSZSA-N 1 0 370.409 3.372 10 5 FGBERO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000181786268 496543879 /nfs/dbraw/zinc/54/38/79/496543879.db2.gz SGZUFAVWAABKPN-LBPRGKRZSA-N 1 0 372.347 3.316 10 5 FGBERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)C[C@H]12 ZINC000248635874 497067175 /nfs/dbraw/zinc/06/71/75/497067175.db2.gz QHKUUZUAFBLBON-BHYGNILZSA-N 1 0 366.421 3.148 10 5 FGBERO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCCC[C@@H]3C[NH3+])cc2[N+](=O)[O-])C1 ZINC000237476982 497242397 /nfs/dbraw/zinc/24/23/97/497242397.db2.gz UWGWSWYGVBNOKA-BFYDXBDKSA-N 1 0 374.485 3.031 10 5 FGBERO C[NH2+][C@H]1CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000261941269 497479961 /nfs/dbraw/zinc/47/99/61/497479961.db2.gz LLZQPSUNWJAPJW-NSHDSACASA-N 1 0 365.231 3.094 10 5 FGBERO O=[N+]([O-])c1cnc2ccc(Br)cc2c1NC[C@@H]1CCC[NH2+]C1 ZINC000261953468 497482131 /nfs/dbraw/zinc/48/21/31/497482131.db2.gz NOXRDWCHMUXXOT-SNVBAGLBSA-N 1 0 365.231 3.317 10 5 FGBERO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000193114462 712882408 /nfs/dbraw/zinc/88/24/08/712882408.db2.gz YNEMSHMMZSPLLH-PWSUYJOCSA-N 1 0 356.831 3.400 10 5 FGBERO C[C@H](Cc1c[nH]c2ccccc12)[NH2+]C[C@@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000000820766 210276284 /nfs/dbraw/zinc/27/62/84/210276284.db2.gz NBKMSNCZRZNOKY-RHSMWYFYSA-N 1 0 369.421 3.037 10 5 FGBERO CC[C@H]([NH2+][C@@H](C)C(=O)NCc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000090068400 494436317 /nfs/dbraw/zinc/43/63/17/494436317.db2.gz VTFNTQWJXQACIJ-LIRRHRJNSA-N 1 0 371.437 3.349 10 5 FGBERO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000056182291 494466490 /nfs/dbraw/zinc/46/64/90/494466490.db2.gz PSUZKIJSOOFNLS-STQMWFEESA-N 1 0 373.409 3.290 10 5 FGBERO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000046170987 494500705 /nfs/dbraw/zinc/50/07/05/494500705.db2.gz LEKSDLRDCRDLSM-STQMWFEESA-N 1 0 371.393 3.044 10 5 FGBERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)n1 ZINC000121926173 494891906 /nfs/dbraw/zinc/89/19/06/494891906.db2.gz DTANYTCLKBFFFP-RCMYXZNBSA-N 1 0 355.442 3.229 10 5 FGBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000093437274 494892039 /nfs/dbraw/zinc/89/20/39/494892039.db2.gz WDSRGXLTHMBSDV-CXAGYDPISA-N 1 0 358.467 3.387 10 5 FGBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000137107894 495423548 /nfs/dbraw/zinc/42/35/48/495423548.db2.gz CPJOEQRMUDLXNU-GFCCVEGCSA-N 1 0 361.364 3.320 10 5 FGBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000120758554 495452100 /nfs/dbraw/zinc/45/21/00/495452100.db2.gz WFWCJMNCUSUZNO-MRXNPFEDSA-N 1 0 362.474 3.245 10 5 FGBERO O=[N+]([O-])c1cccc([C@@H](NC[C@H](O)C[NH+]2CCCCC2)c2ccccc2)c1 ZINC000180211165 495908664 /nfs/dbraw/zinc/90/86/64/495908664.db2.gz UFGFPXKEXVNICH-SFTDATJTSA-N 1 0 369.465 3.121 10 5 FGBERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC2 ZINC000180504171 496023555 /nfs/dbraw/zinc/02/35/55/496023555.db2.gz PGMPCONTLKFNJT-SJORKVTESA-N 1 0 369.469 3.235 10 5 FGBERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C12CCOCC2 ZINC000186509393 496025214 /nfs/dbraw/zinc/02/52/14/496025214.db2.gz CMWPSBBVBJGNSR-HZPDHXFCSA-N 1 0 354.834 3.312 10 5 FGBERO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccnn1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178675633 496536924 /nfs/dbraw/zinc/53/69/24/496536924.db2.gz LVPSWDQPQMKZMW-XJKSGUPXSA-N 1 0 359.430 3.440 10 5 FGBERO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188100760 496683205 /nfs/dbraw/zinc/68/32/05/496683205.db2.gz SWLNZKKZMHRBGT-RDJZCZTQSA-N 1 0 362.451 3.263 10 5 FGBERO Cc1cc(NC[C@H](c2cccs2)N2CCO[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000301423990 498103924 /nfs/dbraw/zinc/10/39/24/498103924.db2.gz GHSAZWWJNWSHOO-UKRRQHHQSA-N 1 0 362.455 3.234 10 5 FGBERO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301987808 498358017 /nfs/dbraw/zinc/35/80/17/498358017.db2.gz DPWPPWYIQRUQIH-ZDUSSCGKSA-N 1 0 367.409 3.176 10 5 FGBERO C[C@@H]1C[C@@H](CNc2cc(CO)ccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000302016583 498369143 /nfs/dbraw/zinc/36/91/43/498369143.db2.gz CLSYWFJZIWQWLR-QAPCUYQASA-N 1 0 355.438 3.410 10 5 FGBERO CC[N@H+](C)[C@@H]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000302759042 498562162 /nfs/dbraw/zinc/56/21/62/498562162.db2.gz JNDSPKLWNJDHQM-QGZVFWFLSA-N 1 0 353.422 3.356 10 5 FGBERO C[C@H](CCCC[NH3+])Nc1ccc(I)cc1[N+](=O)[O-] ZINC000311017083 498748802 /nfs/dbraw/zinc/74/88/02/498748802.db2.gz QEZXDMAWUAAMBV-SECBINFHSA-N 1 0 363.199 3.129 10 5 FGBERO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000193114478 712882459 /nfs/dbraw/zinc/88/24/59/712882459.db2.gz YNEMSHMMZSPLLH-CMPLNLGQSA-N 1 0 356.831 3.400 10 5 FGBERO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000193114447 712882466 /nfs/dbraw/zinc/88/24/66/712882466.db2.gz YNEMSHMMZSPLLH-JQWIXIFHSA-N 1 0 356.831 3.400 10 5 FGBERO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000056182395 494467922 /nfs/dbraw/zinc/46/79/22/494467922.db2.gz WYQKGYBIYJATHF-STQMWFEESA-N 1 0 373.409 3.290 10 5 FGBERO Cn1cc(C[NH+]2CCC(c3cc[nH]n3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092810660 494756058 /nfs/dbraw/zinc/75/60/58/494756058.db2.gz SPHPSVYXLKWECM-UHFFFAOYSA-N 1 0 366.425 3.098 10 5 FGBERO CC(C)c1ccc(CN2CCC[N@H+](Cc3cnn(C)c3)CC2)cc1[N+](=O)[O-] ZINC000121573787 494807437 /nfs/dbraw/zinc/80/74/37/494807437.db2.gz VFZJGDFVEADQTA-UHFFFAOYSA-N 1 0 371.485 3.160 10 5 FGBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000113227405 495285570 /nfs/dbraw/zinc/28/55/70/495285570.db2.gz VCOZNISCRFBPFB-SWLSCSKDSA-N 1 0 372.450 3.027 10 5 FGBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000160782990 496040862 /nfs/dbraw/zinc/04/08/62/496040862.db2.gz JDUFGGVGSHSMRP-SWLSCSKDSA-N 1 0 351.472 3.165 10 5 FGBERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000153244078 496394139 /nfs/dbraw/zinc/39/41/39/496394139.db2.gz NPYVTPIGGFWILS-HXUWFJFHSA-N 1 0 369.465 3.207 10 5 FGBERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)C[C@@H]12 ZINC000185036125 496631430 /nfs/dbraw/zinc/63/14/30/496631430.db2.gz QHKUUZUAFBLBON-DJIMGWMZSA-N 1 0 366.421 3.148 10 5 FGBERO CCc1csc([C@H]2CCC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 ZINC000195379381 496905903 /nfs/dbraw/zinc/90/59/03/496905903.db2.gz ZEPMMVWRNSONKX-AWEZNQCLSA-N 1 0 374.466 3.092 10 5 FGBERO COc1ccc([C@@H]2[C@@H](CNc3ncccc3[N+](=O)[O-])CCC[N@@H+]2C)cc1 ZINC000301246626 498019311 /nfs/dbraw/zinc/01/93/11/498019311.db2.gz AWTWMMKQCIGLLR-CRAIPNDOSA-N 1 0 356.426 3.493 10 5 FGBERO CCc1cc(N2CC[C@H]([N@@H+](C)CC)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302747332 498556952 /nfs/dbraw/zinc/55/69/52/498556952.db2.gz FQRGIRKFOJQBKW-KRWDZBQOSA-N 1 0 355.442 3.145 10 5 FGBERO CC[C@@H]([NH2+][C@@H](Cc1ccc(Cl)cc1)C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000185943743 712705551 /nfs/dbraw/zinc/70/55/51/712705551.db2.gz YWELECIRAPWSJR-SJORKVTESA-N 1 0 361.829 3.386 10 5 FGBERO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000046170993 494500566 /nfs/dbraw/zinc/50/05/66/494500566.db2.gz LEKSDLRDCRDLSM-CHWSQXEVSA-N 1 0 371.393 3.044 10 5 FGBERO CC[C@@H](NC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000133837709 495068264 /nfs/dbraw/zinc/06/82/64/495068264.db2.gz JKIXXTCBDMIDAP-CRAIPNDOSA-N 1 0 362.474 3.323 10 5 FGBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H](n4cncn4)C3)o2)cc1 ZINC000179465947 495602499 /nfs/dbraw/zinc/60/24/99/495602499.db2.gz XCYSGDAPPCKMCG-INIZCTEOSA-N 1 0 353.382 3.283 10 5 FGBERO CC[C@@H](NC(=O)NCCC1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176346825 495612508 /nfs/dbraw/zinc/61/25/08/495612508.db2.gz JJECVKJWYMDZLN-GOSISDBHSA-N 1 0 362.474 3.467 10 5 FGBERO CC[C@@H](NC(=O)N(CC[NH+](C)C)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000176681603 495744878 /nfs/dbraw/zinc/74/48/78/495744878.db2.gz ORAFZYJKGXNEIQ-QGZVFWFLSA-N 1 0 350.463 3.275 10 5 FGBERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000183131866 495848109 /nfs/dbraw/zinc/84/81/09/495848109.db2.gz XCOUXCCKBSGRSG-SFHVURJKSA-N 1 0 353.422 3.497 10 5 FGBERO CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)cc1[N+](=O)[O-] ZINC000180509769 496026109 /nfs/dbraw/zinc/02/61/09/496026109.db2.gz PYBNSFDFXXNBSK-ZFWWWQNUSA-N 1 0 373.457 3.374 10 5 FGBERO CSc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000171887963 496076978 /nfs/dbraw/zinc/07/69/78/496076978.db2.gz WPWDYNKIJJRUEI-OAHLLOKOSA-N 1 0 359.451 3.349 10 5 FGBERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC2 ZINC000180639358 496081541 /nfs/dbraw/zinc/08/15/41/496081541.db2.gz CBUOUDWGVKVHJR-DLBZAZTESA-N 1 0 369.469 3.235 10 5 FGBERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000175344722 496348432 /nfs/dbraw/zinc/34/84/32/496348432.db2.gz DOTBUHFPBCQQGE-ZDUSSCGKSA-N 1 0 373.400 3.121 10 5 FGBERO Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000247568557 496891306 /nfs/dbraw/zinc/89/13/06/496891306.db2.gz GWTGJFFILTUQSA-PBHICJAKSA-N 1 0 371.441 3.109 10 5 FGBERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000245457618 497416519 /nfs/dbraw/zinc/41/65/19/497416519.db2.gz CDBVQGXAECCDFV-CJNGLKHVSA-N 1 0 359.430 3.122 10 5 FGBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000245764814 497532628 /nfs/dbraw/zinc/53/26/28/497532628.db2.gz JDUFGGVGSHSMRP-DOMZBBRYSA-N 1 0 351.472 3.165 10 5 FGBERO CCOC(=O)C1CCC(O)(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000191037388 497689654 /nfs/dbraw/zinc/68/96/54/497689654.db2.gz LUCYRQDXDHKRRW-LTCLLZNKSA-N 1 0 364.442 3.120 10 5 FGBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000246778900 497810059 /nfs/dbraw/zinc/81/00/59/497810059.db2.gz CIIZEGXOOQGNAK-SWLSCSKDSA-N 1 0 374.466 3.177 10 5 FGBERO Cc1cc(NC[C@@H](c2cccs2)N2CCO[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000301423989 498103974 /nfs/dbraw/zinc/10/39/74/498103974.db2.gz GHSAZWWJNWSHOO-HIFRSBDPSA-N 1 0 362.455 3.234 10 5 FGBERO Cc1cc(NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000301425714 498105270 /nfs/dbraw/zinc/10/52/70/498105270.db2.gz HDEMRGLHBXUUEK-LJQANCHMSA-N 1 0 370.453 3.156 10 5 FGBERO Cc1cc(NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000301425713 498105354 /nfs/dbraw/zinc/10/53/54/498105354.db2.gz HDEMRGLHBXUUEK-IBGZPJMESA-N 1 0 370.453 3.156 10 5 FGBERO C[C@@H]1C[N@@H+](CCC2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000301565691 498165224 /nfs/dbraw/zinc/16/52/24/498165224.db2.gz PXJNCEUBPIIDCG-GASCZTMLSA-N 1 0 365.449 3.450 10 5 FGBERO O=[N+]([O-])c1ccc(F)cc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000302789659 498576423 /nfs/dbraw/zinc/57/64/23/498576423.db2.gz FLDFOXZYFQCNLH-QGZVFWFLSA-N 1 0 359.401 3.437 10 5 FGBERO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000312974611 498766075 /nfs/dbraw/zinc/76/60/75/498766075.db2.gz KRZMCMUKPCKAMN-RCCFBDPRSA-N 1 0 369.469 3.442 10 5 FGBERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000123020475 700699178 /nfs/dbraw/zinc/69/91/78/700699178.db2.gz JFRIZBLVIJZAEN-CYBMUJFWSA-N 1 0 356.264 3.273 10 5 FGBERO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)c(Cl)c1 ZINC000180730800 705755321 /nfs/dbraw/zinc/75/53/21/705755321.db2.gz JZVSUFMLQIMEAH-FZMZJTMJSA-N 1 0 368.792 3.478 10 5 FGBERO COCC1(CNc2cc(C)c([N+](=O)[O-])cc2Br)CC[NH2+]CC1 ZINC000262444793 713725513 /nfs/dbraw/zinc/72/55/13/713725513.db2.gz HDQONHUTAWCOQH-UHFFFAOYSA-N 1 0 372.263 3.094 10 5 FGBERO Cc1ccc(Nc2ncnc(N(C)C3CC[NH+](C)CC3)c2[N+](=O)[O-])c(C)c1 ZINC000040621333 211750955 /nfs/dbraw/zinc/75/09/55/211750955.db2.gz IQJLQHGXMMRTJS-UHFFFAOYSA-N 1 0 370.457 3.276 10 5 FGBERO CC[C@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000091408403 494592584 /nfs/dbraw/zinc/59/25/84/494592584.db2.gz ZNZQASUTSXSILC-PXAZEXFGSA-N 1 0 363.439 3.044 10 5 FGBERO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCN(c2cccnn2)C1 ZINC000116277789 494750266 /nfs/dbraw/zinc/75/02/66/494750266.db2.gz DYBKGZDVGSWMGC-OAHLLOKOSA-N 1 0 361.833 3.139 10 5 FGBERO Cc1cc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000133499405 495021126 /nfs/dbraw/zinc/02/11/26/495021126.db2.gz AKIMYVCIGZELQJ-DZGCQCFKSA-N 1 0 353.426 3.397 10 5 FGBERO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(Cl)c1 ZINC000119664978 495213545 /nfs/dbraw/zinc/21/35/45/495213545.db2.gz IIVSMWRICLRHTO-LBPRGKRZSA-N 1 0 359.813 3.488 10 5 FGBERO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1SC ZINC000137105758 495423282 /nfs/dbraw/zinc/42/32/82/495423282.db2.gz GADVETMYKONCAY-GFCCVEGCSA-N 1 0 369.487 3.031 10 5 FGBERO CCc1nccn1[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000106217735 495436444 /nfs/dbraw/zinc/43/64/44/495436444.db2.gz GSCGERWIIYTGMI-HNNXBMFYSA-N 1 0 371.441 3.019 10 5 FGBERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000170856027 495629345 /nfs/dbraw/zinc/62/93/45/495629345.db2.gz UMBLXNKXAYROIX-MRXNPFEDSA-N 1 0 354.410 3.115 10 5 FGBERO CC[C@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000151792035 495949262 /nfs/dbraw/zinc/94/92/62/495949262.db2.gz LAGRPFCNAWRBHM-SFTDATJTSA-N 1 0 369.465 3.055 10 5 FGBERO Cc1ccc([C@H](C)NC(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000175863930 496578577 /nfs/dbraw/zinc/57/85/77/496578577.db2.gz RUVVFJDBFYBYLX-HOCLYGCPSA-N 1 0 350.463 3.240 10 5 FGBERO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1N1CCOCC1 ZINC000245724694 497517262 /nfs/dbraw/zinc/51/72/62/497517262.db2.gz IOVULFYDTAXKFU-HNAYVOBHSA-N 1 0 371.437 3.007 10 5 FGBERO Cc1cc(N(C)C[C@@H]2CCC[N@H+](C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301261456 498025848 /nfs/dbraw/zinc/02/58/48/498025848.db2.gz FJYNFDIRVVAHQJ-OAHLLOKOSA-N 1 0 355.442 3.138 10 5 FGBERO O=[N+]([O-])c1ccc(Br)cc1N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000301692716 498227355 /nfs/dbraw/zinc/22/73/55/498227355.db2.gz XIBBJRUKUGHGPH-YUTCNCBUSA-N 1 0 366.259 3.278 10 5 FGBERO CC(C)(C)OC(=O)N[C@H]1CC2(CC[NH2+]CC2)Oc2ccc([N+](=O)[O-])cc21 ZINC000675069526 571272061 /nfs/dbraw/zinc/27/20/61/571272061.db2.gz HVVAUVCPAFSSOC-AWEZNQCLSA-N 1 0 363.414 3.065 10 5 FGBERO FC(F)(F)c1ccc(-c2nc(C[N+]34CCN(CC3)CC4)cs2)cc1 ZINC000025200526 717113567 /nfs/dbraw/zinc/11/35/67/717113567.db2.gz YVABCXKYIHLNSA-UHFFFAOYSA-N 1 0 354.421 3.475 10 5 FGBERO CC1(C)CC(Nc2ncnc(NC3CCCC3)c2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000040645273 211751299 /nfs/dbraw/zinc/75/12/99/211751299.db2.gz SSJRRXGUDYDCBU-UHFFFAOYSA-N 1 0 362.478 3.460 10 5 FGBERO CC(=O)c1ccc(N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000190446875 257368320 /nfs/dbraw/zinc/36/83/20/257368320.db2.gz WLXIIXZEBWFVJR-QGZVFWFLSA-N 1 0 368.437 3.151 10 5 FGBERO C[NH+](C)CCN1C(=O)c2cccc3cc4cccc([N+](=O)[O-])c4c(c32)C1=O ZINC000003805649 493858137 /nfs/dbraw/zinc/85/81/37/493858137.db2.gz QKANXVQSRQMWOM-UHFFFAOYSA-N 1 0 363.373 3.059 10 5 FGBERO CC[C@H](NC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090611440 494487544 /nfs/dbraw/zinc/48/75/44/494487544.db2.gz JKIXXTCBDMIDAP-QAPCUYQASA-N 1 0 362.474 3.323 10 5 FGBERO CC[C@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000091408402 494591437 /nfs/dbraw/zinc/59/14/37/494591437.db2.gz ZNZQASUTSXSILC-SJCJKPOMSA-N 1 0 363.439 3.044 10 5 FGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)o1 ZINC000128554385 495115335 /nfs/dbraw/zinc/11/53/35/495115335.db2.gz OESFEWTWTVXJRY-HNNXBMFYSA-N 1 0 367.409 3.359 10 5 FGBERO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H](O)COCc1ccccc1)C1CC1 ZINC000135234259 495266882 /nfs/dbraw/zinc/26/68/82/495266882.db2.gz QVUXQSCQDYOIDY-IBGZPJMESA-N 1 0 356.422 3.137 10 5 FGBERO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](c1cccs1)N1CCOCC1 ZINC000106162687 495422066 /nfs/dbraw/zinc/42/20/66/495422066.db2.gz NAZLUFFXFAVMLY-QGZVFWFLSA-N 1 0 361.467 3.162 10 5 FGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000185654978 495664292 /nfs/dbraw/zinc/66/42/92/495664292.db2.gz LWCHCFVKNFTANP-ZWKOTPCHSA-N 1 0 364.442 3.057 10 5 FGBERO CC[C@H]([NH2+]CC(=O)Nc1cccc(C(C)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000181543543 496439347 /nfs/dbraw/zinc/43/93/47/496439347.db2.gz CLZOTQWROXNKOI-SFHVURJKSA-N 1 0 355.394 3.477 10 5 FGBERO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000172897765 496482051 /nfs/dbraw/zinc/48/20/51/496482051.db2.gz NOBHWPIAEVNKDR-HXUWFJFHSA-N 1 0 367.449 3.308 10 5 FGBERO CCc1nn(C)c(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1[N+](=O)[O-] ZINC000302192776 498436011 /nfs/dbraw/zinc/43/60/11/498436011.db2.gz WGANRVPJNYLNPT-SOLBZPMBSA-N 1 0 369.469 3.213 10 5 FGBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3CC3)CC2)c(Br)c1 ZINC000133696268 700840481 /nfs/dbraw/zinc/84/04/81/700840481.db2.gz VDVHFBSDTRTDDF-UHFFFAOYSA-N 1 0 354.248 3.326 10 5 FGBERO CC1(C)CC(Nc2ncnc(N3CCCCC3)c2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000040609539 132947233 /nfs/dbraw/zinc/94/72/33/132947233.db2.gz ANAFMVNCOGBCDV-UHFFFAOYSA-N 1 0 362.478 3.096 10 5 FGBERO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COCc1ccccc1 ZINC000065512421 494206630 /nfs/dbraw/zinc/20/66/30/494206630.db2.gz DUDSJENHKGFDRR-HXUWFJFHSA-N 1 0 358.438 3.383 10 5 FGBERO CCOc1cc(Nc2cnn(CC[NH+]3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000092978333 494800870 /nfs/dbraw/zinc/80/08/70/494800870.db2.gz WVUCSNYIADRPMM-UHFFFAOYSA-N 1 0 359.430 3.420 10 5 FGBERO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(F)c(F)c1 ZINC000109146882 494838434 /nfs/dbraw/zinc/83/84/34/494838434.db2.gz JIFJUZJARBXQNJ-PIGZYNQJSA-N 1 0 361.348 3.329 10 5 FGBERO CC[C@@H]([NH2+][C@H](C)CS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000122649866 495009875 /nfs/dbraw/zinc/00/98/75/495009875.db2.gz WXOOOSZOODHHQY-RDTXWAMCSA-N 1 0 362.451 3.498 10 5 FGBERO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@H](Cn4cncn4)C3)o2)c1 ZINC000128598610 495122148 /nfs/dbraw/zinc/12/21/48/495122148.db2.gz VNPFEELZZXFABB-HNNXBMFYSA-N 1 0 367.409 3.359 10 5 FGBERO Cc1cnn([C@@H]2CCC[N@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000106225643 495438990 /nfs/dbraw/zinc/43/89/90/495438990.db2.gz OFFZKQMMZUIOPB-MRXNPFEDSA-N 1 0 371.441 3.074 10 5 FGBERO Cc1cnn([C@@H]2CCC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000106225599 495439079 /nfs/dbraw/zinc/43/90/79/495439079.db2.gz BAEMELKQTMTQFY-QGZVFWFLSA-N 1 0 371.441 3.074 10 5 FGBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000155574463 496000034 /nfs/dbraw/zinc/00/00/34/496000034.db2.gz CIIZEGXOOQGNAK-DOMZBBRYSA-N 1 0 374.466 3.177 10 5 FGBERO CC[C@H]([NH2+]CC(=O)NCc1ccc(COC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181528277 496433606 /nfs/dbraw/zinc/43/36/06/496433606.db2.gz UOZCXEKGMBOJBU-IBGZPJMESA-N 1 0 371.437 3.098 10 5 FGBERO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000178673346 496536528 /nfs/dbraw/zinc/53/65/28/496536528.db2.gz GOZVMCPWVTWCGT-MLGOLLRUSA-N 1 0 371.393 3.391 10 5 FGBERO CC[C@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000175909861 496598053 /nfs/dbraw/zinc/59/80/53/496598053.db2.gz TUDYUBUMYVLPSF-SFHVURJKSA-N 1 0 360.458 3.220 10 5 FGBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000248375350 496987566 /nfs/dbraw/zinc/98/75/66/496987566.db2.gz WONCKJHGPIPVGQ-DGCLKSJQSA-N 1 0 371.890 3.185 10 5 FGBERO Cc1cc(NC[C@H](c2cccs2)N2CCO[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000301423987 498104183 /nfs/dbraw/zinc/10/41/83/498104183.db2.gz GHSAZWWJNWSHOO-DZGCQCFKSA-N 1 0 362.455 3.234 10 5 FGBERO O=[N+]([O-])c1ccc(Br)cc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000087834888 700376687 /nfs/dbraw/zinc/37/66/87/700376687.db2.gz NJWSNNDJSSACEH-CYBMUJFWSA-N 1 0 354.248 3.326 10 5 FGBERO Cc1cc(C)cc(Oc2ncnc(N(C)C3CC[NH+](C)CC3)c2[N+](=O)[O-])c1 ZINC000040582859 220911506 /nfs/dbraw/zinc/91/15/06/220911506.db2.gz DOJMYKXTTCGMGA-UHFFFAOYSA-N 1 0 371.441 3.324 10 5 FGBERO C[NH+](C)C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000117583919 494933284 /nfs/dbraw/zinc/93/32/84/494933284.db2.gz MTNGQTAFIXHSHZ-QGZVFWFLSA-N 1 0 361.829 3.210 10 5 FGBERO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000120455897 495382826 /nfs/dbraw/zinc/38/28/26/495382826.db2.gz BFRJIOLWWXQSEN-STQMWFEESA-N 1 0 373.409 3.290 10 5 FGBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](N4CCOCC4)C3)s2)cc1 ZINC000120972763 495495316 /nfs/dbraw/zinc/49/53/16/495495316.db2.gz QUBSPXLNIIFACE-QGZVFWFLSA-N 1 0 373.478 3.230 10 5 FGBERO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)Nc1ccncc1[N+](=O)[O-] ZINC000183591060 496041073 /nfs/dbraw/zinc/04/10/73/496041073.db2.gz GAJDFUHEOGAHPW-MRXNPFEDSA-N 1 0 369.425 3.166 10 5 FGBERO Cc1ccc([C@H](C)NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000177840609 496218696 /nfs/dbraw/zinc/21/86/96/496218696.db2.gz ZSPBPIUGGXUFSW-HNAYVOBHSA-N 1 0 355.438 3.253 10 5 FGBERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000153244016 496394623 /nfs/dbraw/zinc/39/46/23/496394623.db2.gz NPYVTPIGGFWILS-FQEVSTJZSA-N 1 0 369.465 3.207 10 5 FGBERO CC[C@H]([NH2+]CCn1cnc2ccccc2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000181535062 496435919 /nfs/dbraw/zinc/43/59/19/496435919.db2.gz VBHHGHFAMZDFBS-KRWDZBQOSA-N 1 0 352.394 3.046 10 5 FGBERO CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000153835363 496595758 /nfs/dbraw/zinc/59/57/58/496595758.db2.gz XYYMFXGYTOUHEO-OAHLLOKOSA-N 1 0 359.451 3.424 10 5 FGBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000188144811 712762842 /nfs/dbraw/zinc/76/28/42/712762842.db2.gz WSJOZUAABMOIMK-YJBOKZPZSA-N 1 0 362.451 3.133 10 5 FGBERO CCc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000102686576 495153558 /nfs/dbraw/zinc/15/35/58/495153558.db2.gz YEUIHCVZFYDSLJ-GFCCVEGCSA-N 1 0 371.393 3.175 10 5 FGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114202622 495353588 /nfs/dbraw/zinc/35/35/88/495353588.db2.gz RTXHIXIVDQMCHC-QGZVFWFLSA-N 1 0 357.414 3.182 10 5 FGBERO CCc1nccn1[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000106212154 495433316 /nfs/dbraw/zinc/43/33/16/495433316.db2.gz APELAJDVJYCVHV-QGZVFWFLSA-N 1 0 358.442 3.460 10 5 FGBERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)C12CCOCC2 ZINC000185658789 495667204 /nfs/dbraw/zinc/66/72/04/495667204.db2.gz OBYFRPRZEAKSIG-CVEARBPZSA-N 1 0 354.834 3.312 10 5 FGBERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C12CCOCC2 ZINC000186314837 495944050 /nfs/dbraw/zinc/94/40/50/495944050.db2.gz GALFMCURSRGIST-DFQSSKMNSA-N 1 0 374.481 3.480 10 5 FGBERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC2 ZINC000180504231 496024376 /nfs/dbraw/zinc/02/43/76/496024376.db2.gz PGMPCONTLKFNJT-DLBZAZTESA-N 1 0 369.469 3.235 10 5 FGBERO CC[C@@H](NC(=O)NCC[NH+](C(C)C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000175533465 496429887 /nfs/dbraw/zinc/42/98/87/496429887.db2.gz SGDZNTMWHJGETO-QGZVFWFLSA-N 1 0 350.463 3.464 10 5 FGBERO CC[C@@H]([NH2+]CC(=O)NCc1ccc(COC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181528300 496433313 /nfs/dbraw/zinc/43/33/13/496433313.db2.gz UOZCXEKGMBOJBU-LJQANCHMSA-N 1 0 371.437 3.098 10 5 FGBERO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000246371803 497710875 /nfs/dbraw/zinc/71/08/75/497710875.db2.gz YOQZZVSJJHGSDZ-YZGWKJHDSA-N 1 0 356.422 3.216 10 5 FGBERO Cc1ccc([C@H]2CCCC[N@@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000246577065 497780576 /nfs/dbraw/zinc/78/05/76/497780576.db2.gz FGLYPGYMFXTWPU-SJLPKXTDSA-N 1 0 360.410 3.463 10 5 FGBERO COc1ccc(NC(=O)[C@H](C)N2CCC[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000246880454 497818397 /nfs/dbraw/zinc/81/83/97/497818397.db2.gz FYNNOHRLCJGTPQ-WFASDCNBSA-N 1 0 359.382 3.361 10 5 FGBERO Cc1cc(N2CC[N@@H+](C)C[C@@H]2C(C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301390853 498089445 /nfs/dbraw/zinc/08/94/45/498089445.db2.gz ZLSSENKCTDYMIF-QGZVFWFLSA-N 1 0 355.442 3.137 10 5 FGBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000052555824 494039720 /nfs/dbraw/zinc/03/97/20/494039720.db2.gz RFIOADHEGPBLHZ-KSSFIOAISA-N 1 0 373.478 3.495 10 5 FGBERO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000056182297 494466979 /nfs/dbraw/zinc/46/69/79/494466979.db2.gz PSUZKIJSOOFNLS-CHWSQXEVSA-N 1 0 373.409 3.290 10 5 FGBERO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(F)c(F)c1 ZINC000109146884 494838825 /nfs/dbraw/zinc/83/88/25/494838825.db2.gz JIFJUZJARBXQNJ-GTNSWQLSSA-N 1 0 361.348 3.329 10 5 FGBERO Cn1cc([C@H]2CC[N@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)cn1 ZINC000128364370 495085742 /nfs/dbraw/zinc/08/57/42/495085742.db2.gz MSBMVPIKTCXTDS-AWEZNQCLSA-N 1 0 369.450 3.441 10 5 FGBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000119826297 495249787 /nfs/dbraw/zinc/24/97/87/495249787.db2.gz OOCBBLNKEBSBOY-NSHDSACASA-N 1 0 372.263 3.063 10 5 FGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000182749239 495687190 /nfs/dbraw/zinc/68/71/90/495687190.db2.gz FADARTIZQMPRDF-NVXWUHKLSA-N 1 0 355.442 3.355 10 5 FGBERO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000181758436 496531657 /nfs/dbraw/zinc/53/16/57/496531657.db2.gz FNCRKKCOFCGNIG-ZDUSSCGKSA-N 1 0 371.393 3.045 10 5 FGBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000195171254 496840460 /nfs/dbraw/zinc/84/04/60/496840460.db2.gz QEJJQOSJONGEDJ-QGZVFWFLSA-N 1 0 368.437 3.083 10 5 FGBERO CC1(C)CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC[NH2+]1 ZINC000262356875 497544560 /nfs/dbraw/zinc/54/45/60/497544560.db2.gz VYWNZBIDBCWGBP-UHFFFAOYSA-N 1 0 365.231 3.094 10 5 FGBERO O=[N+]([O-])c1cnc(NC[C@@H]2[NH2+]CCc3ccccc32)c(Br)c1 ZINC000262403489 497550380 /nfs/dbraw/zinc/55/03/80/497550380.db2.gz CNAQUQLPQDBSRW-AWEZNQCLSA-N 1 0 363.215 3.051 10 5 FGBERO COC(=O)/C=C/c1ccc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301178566 497984829 /nfs/dbraw/zinc/98/48/29/497984829.db2.gz GXKBFURFHJSABY-LOWQCSRCSA-N 1 0 359.426 3.210 10 5 FGBERO COC(=O)c1cc(N2CC[NH+](C3CCC(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000301256166 498023963 /nfs/dbraw/zinc/02/39/63/498023963.db2.gz DJYRODOFHSFXMA-UHFFFAOYSA-N 1 0 361.442 3.082 10 5 FGBERO CCC[N@@H+]1CCCN(c2cc(C)nc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000301273328 498031982 /nfs/dbraw/zinc/03/19/82/498031982.db2.gz KHOTUZABSJZORI-UHFFFAOYSA-N 1 0 355.442 3.282 10 5 FGBERO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000312974606 498766587 /nfs/dbraw/zinc/76/65/87/498766587.db2.gz KRZMCMUKPCKAMN-KZNAEPCWSA-N 1 0 369.469 3.442 10 5 FGBERO CN(C)c1ccc2c(c1)[nH+]c1ccccc1c2NCCCSCCO ZINC000584602851 507431132 /nfs/dbraw/zinc/43/11/32/507431132.db2.gz AZYQTWVVCHOFTA-UHFFFAOYSA-N 1 0 355.507 3.403 10 5 FGBERO CCC(=O)OC[C@@H](C(=O)OC1C[C@H]2CC[C@@H](C1)[N+]2(C)C)c1ccccc1 ZINC000003634725 717097292 /nfs/dbraw/zinc/09/72/92/717097292.db2.gz GIIDTFNXKIHNDG-ZZJWQFMZSA-N 1 0 360.474 3.036 10 5 FGBERO C[N+]12CCC(CC1)[C@H](OC(=O)[C@@](O)(c1ccccc1)C1CCCCC1)C2 ZINC000000607839 219305770 /nfs/dbraw/zinc/30/57/70/219305770.db2.gz UEJRWWYWBNGGBE-KBWPEYSLSA-N 1 0 358.502 3.237 10 5 in-man FGBERO CC[N+]1(CC)CC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000000607729 493765597 /nfs/dbraw/zinc/76/55/97/493765597.db2.gz ZKCWITXZGWUJAV-FQEVSTJZSA-N 1 0 354.470 3.095 10 5 in-man FGBERO CCOc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000007818144 494045802 /nfs/dbraw/zinc/04/58/02/494045802.db2.gz SLNHTDYYQFOBAP-INIZCTEOSA-N 1 0 357.410 3.026 10 5 FGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000008248250 494078491 /nfs/dbraw/zinc/07/84/91/494078491.db2.gz GKBMKKCIWFEBDU-SNVBAGLBSA-N 1 0 365.336 3.171 10 5 FGBERO CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000088608295 494253261 /nfs/dbraw/zinc/25/32/61/494253261.db2.gz UBDJLJCMSPPLEF-SFHVURJKSA-N 1 0 374.441 3.412 10 5 FGBERO Cn1cc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093585045 494901994 /nfs/dbraw/zinc/90/19/94/494901994.db2.gz RBJHHWXXLADBAO-YLJYHZDGSA-N 1 0 370.453 3.122 10 5 FGBERO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1N1CCOCC1 ZINC000180229535 495916536 /nfs/dbraw/zinc/91/65/36/495916536.db2.gz FQMVPXFQHKUHRA-KXBFYZLASA-N 1 0 371.437 3.007 10 5 FGBERO CCO[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C12CCOCC2 ZINC000186314799 495944199 /nfs/dbraw/zinc/94/41/99/495944199.db2.gz GALFMCURSRGIST-YSIASYRMSA-N 1 0 374.481 3.480 10 5 FGBERO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000180865286 496177600 /nfs/dbraw/zinc/17/76/00/496177600.db2.gz PHYLIHXKVOXIRX-ZDUSSCGKSA-N 1 0 373.409 3.210 10 5 FGBERO CC[C@H]([NH2+]CC(=O)Nc1nnc(C(C)C)s1)c1cccc([N+](=O)[O-])c1 ZINC000181530110 496433402 /nfs/dbraw/zinc/43/34/02/496433402.db2.gz IMFZFKGTIYGFKD-ZDUSSCGKSA-N 1 0 363.443 3.249 10 5 FGBERO CC[C@@H]([NH2+]CC(=O)Nc1cccc(C(C)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000181543563 496439643 /nfs/dbraw/zinc/43/96/43/496439643.db2.gz CLZOTQWROXNKOI-GOSISDBHSA-N 1 0 355.394 3.477 10 5 FGBERO CC[C@H]([NH2+]CC(=O)Nc1cccc(NC(C)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000181549491 496442062 /nfs/dbraw/zinc/44/20/62/496442062.db2.gz NSVRVYQZZXPRSM-SFHVURJKSA-N 1 0 370.409 3.233 10 5 FGBERO Cc1ccc([C@@H](C)NC(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000175863912 496578387 /nfs/dbraw/zinc/57/83/87/496578387.db2.gz RUVVFJDBFYBYLX-ZBFHGGJFSA-N 1 0 350.463 3.240 10 5 FGBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCN(c3cccnn3)C1)CCC2 ZINC000248879207 497123775 /nfs/dbraw/zinc/12/37/75/497123775.db2.gz KFBLUPMJVGPBJE-YJBOKZPZSA-N 1 0 353.426 3.021 10 5 FGBERO O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262583201 497578627 /nfs/dbraw/zinc/57/86/27/497578627.db2.gz ZICGRTAPWZMHOG-CYBMUJFWSA-N 1 0 363.215 3.051 10 5 FGBERO CCc1cc(N2CC[C@@H]([N@@H+](C)CC)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302747333 498556788 /nfs/dbraw/zinc/55/67/88/498556788.db2.gz FQRGIRKFOJQBKW-QGZVFWFLSA-N 1 0 355.442 3.145 10 5 FGBERO CC(=O)c1ccc(N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000190446893 257368350 /nfs/dbraw/zinc/36/83/50/257368350.db2.gz WLXIIXZEBWFVJR-KRWDZBQOSA-N 1 0 368.437 3.151 10 5 FGBERO CC[C@H](NC(=O)NCCC1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090594542 494486343 /nfs/dbraw/zinc/48/63/43/494486343.db2.gz JJECVKJWYMDZLN-SFHVURJKSA-N 1 0 362.474 3.467 10 5 FGBERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000104681886 495296504 /nfs/dbraw/zinc/29/65/04/495296504.db2.gz AOHBJFQEOBLJSP-OAHLLOKOSA-N 1 0 373.457 3.373 10 5 FGBERO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@H](n4cncn4)C3)o2)c1 ZINC000179467733 495602809 /nfs/dbraw/zinc/60/28/09/495602809.db2.gz WMQKWGOVRRJHHT-INIZCTEOSA-N 1 0 353.382 3.283 10 5 FGBERO Cc1ccc(N2CCC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)nn1 ZINC000182749109 495687675 /nfs/dbraw/zinc/68/76/75/495687675.db2.gz JQCVUEXRGKFICI-INIZCTEOSA-N 1 0 355.442 3.275 10 5 FGBERO C[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1N1CCOCC1 ZINC000180231272 495916194 /nfs/dbraw/zinc/91/61/94/495916194.db2.gz SIHMCSGYKNNGHN-KXBFYZLASA-N 1 0 371.437 3.007 10 5 FGBERO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COCc1ccc(Cl)cc1 ZINC000192707384 497190607 /nfs/dbraw/zinc/19/06/07/497190607.db2.gz GOMNEBAXHTZFCF-KRWDZBQOSA-N 1 0 364.829 3.258 10 5 FGBERO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000237960646 497320264 /nfs/dbraw/zinc/32/02/64/497320264.db2.gz WZJRUJBOKZZEJP-QGZVFWFLSA-N 1 0 368.437 3.160 10 5 FGBERO Cc1cc(N2CCC([NH2+]C3CC3)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301704414 498231962 /nfs/dbraw/zinc/23/19/62/498231962.db2.gz FUZCYGZZXNKLHN-UHFFFAOYSA-N 1 0 353.426 3.081 10 5 FGBERO O=[N+]([O-])c1ccc(NC[C@H]2C[NH2+]CCC2(F)F)c(Br)c1 ZINC000717009481 722417300 /nfs/dbraw/zinc/41/73/00/722417300.db2.gz FRVUGRUESPYQRR-MRVPVSSYSA-N 1 0 350.163 3.014 10 5 FGBERO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N[C@H]1CCC[NH2+]C1 ZINC000071397631 494092012 /nfs/dbraw/zinc/09/20/12/494092012.db2.gz UTCZQRYKGTVNQM-JTQLQIEISA-N 1 0 351.204 3.069 10 5 FGBERO CC[C@H]([NH2+][C@H](C)C(=O)NCc1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000090068387 494436275 /nfs/dbraw/zinc/43/62/75/494436275.db2.gz LITQASOURFNFQJ-KDOFPFPSSA-N 1 0 371.437 3.349 10 5 FGBERO CC[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000090596064 494486592 /nfs/dbraw/zinc/48/65/92/494486592.db2.gz OHRVACQVRQBZRG-MMNRESRNSA-N 1 0 360.458 3.360 10 5 FGBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000133277020 494993902 /nfs/dbraw/zinc/99/39/02/494993902.db2.gz ZMLGEQKVNNOYFC-INIZCTEOSA-N 1 0 362.474 3.245 10 5 FGBERO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106160876 495421233 /nfs/dbraw/zinc/42/12/33/495421233.db2.gz PCBXEVKQABSIFY-KRWDZBQOSA-N 1 0 361.467 3.162 10 5 FGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000185654920 495664544 /nfs/dbraw/zinc/66/45/44/495664544.db2.gz LWCHCFVKNFTANP-MSOLQXFVSA-N 1 0 364.442 3.057 10 5 FGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000182752830 495689324 /nfs/dbraw/zinc/68/93/24/495689324.db2.gz ATDROERQADRBRZ-QGZVFWFLSA-N 1 0 371.485 3.257 10 5 FGBERO CC[C@@H](NC(=O)NC[C@H](c1ccco1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000175542170 496434207 /nfs/dbraw/zinc/43/42/07/496434207.db2.gz PEOMAMUVODHHFT-HZPDHXFCSA-N 1 0 360.414 3.241 10 5 FGBERO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000178673298 496536229 /nfs/dbraw/zinc/53/62/29/496536229.db2.gz GOZVMCPWVTWCGT-LRDDRELGSA-N 1 0 371.393 3.391 10 5 FGBERO Cc1ccc([C@H](C)NC(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000175863966 496578273 /nfs/dbraw/zinc/57/82/73/496578273.db2.gz RUVVFJDBFYBYLX-GOEBONIOSA-N 1 0 350.463 3.240 10 5 FGBERO CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000153868977 496608017 /nfs/dbraw/zinc/60/80/17/496608017.db2.gz HRHXZDNKPQYUGB-AWEZNQCLSA-N 1 0 359.451 3.424 10 5 FGBERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000192984687 497267213 /nfs/dbraw/zinc/26/72/13/497267213.db2.gz HXIKZVKTYHRGJN-RHSMWYFYSA-N 1 0 355.442 3.292 10 5 FGBERO Cc1cc(N2CC[N@@H+](C)C[C@H]2C(C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301390850 498089531 /nfs/dbraw/zinc/08/95/31/498089531.db2.gz ZLSSENKCTDYMIF-KRWDZBQOSA-N 1 0 355.442 3.137 10 5 FGBERO COC(=O)c1cc([N+](=O)[O-])c(N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1Cl ZINC000301655464 498208834 /nfs/dbraw/zinc/20/88/34/498208834.db2.gz HQOAVVFTFCFLHB-YGRLFVJLSA-N 1 0 355.822 3.175 10 5 FGBERO C[C@H]1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000302021817 498372323 /nfs/dbraw/zinc/37/23/23/498372323.db2.gz FUBVYCWWQTZUFL-INIZCTEOSA-N 1 0 355.438 3.188 10 5 FGBERO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000312974608 498766518 /nfs/dbraw/zinc/76/65/18/498766518.db2.gz KRZMCMUKPCKAMN-OKZBNKHCSA-N 1 0 369.469 3.442 10 5 FGBERO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000183022871 705874663 /nfs/dbraw/zinc/87/46/63/705874663.db2.gz NQHIIAAMATXGQL-GHMZBOCLSA-N 1 0 356.831 3.400 10 5 FGBERO COc1ccc2c(c1OC)C[N@@+]1(C)CCc3cc4c(cc3[C@H]1C2)OCO4 ZINC000250846561 717165398 /nfs/dbraw/zinc/16/53/98/717165398.db2.gz IPABSWBNWMXCHM-VGOFRKELSA-N 1 0 354.426 3.233 10 5 FGBERO C[C@@H](Cc1c[nH]c2ccccc12)[NH2+]C[C@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000000820763 219326789 /nfs/dbraw/zinc/32/67/89/219326789.db2.gz NBKMSNCZRZNOKY-YOEHRIQHSA-N 1 0 369.421 3.037 10 5 FGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116293182 494753850 /nfs/dbraw/zinc/75/38/50/494753850.db2.gz ZPFMJKZDLAWRAJ-HNNXBMFYSA-N 1 0 359.382 3.362 10 5 FGBERO CCOCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@H]1CC ZINC000116871247 494864294 /nfs/dbraw/zinc/86/42/94/494864294.db2.gz STFONTWHCBMJNW-OAHLLOKOSA-N 1 0 358.442 3.080 10 5 FGBERO O=[N+]([O-])c1ccc2nc(NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)ccc2c1 ZINC000132876701 494936296 /nfs/dbraw/zinc/93/62/96/494936296.db2.gz PNCALUXOCXOZKO-RBUKOAKNSA-N 1 0 370.453 3.323 10 5 FGBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113228631 495285918 /nfs/dbraw/zinc/28/59/18/495285918.db2.gz SPUISWUEWIDYBK-IUODEOHRSA-N 1 0 372.450 3.027 10 5 FGBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000113227402 495286377 /nfs/dbraw/zinc/28/63/77/495286377.db2.gz VCOZNISCRFBPFB-IUODEOHRSA-N 1 0 372.450 3.027 10 5 FGBERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000106211676 495432654 /nfs/dbraw/zinc/43/26/54/495432654.db2.gz WLMPRAZXAKKTLU-KRWDZBQOSA-N 1 0 371.441 3.111 10 5 FGBERO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1N1CCOCC1 ZINC000180227964 495914734 /nfs/dbraw/zinc/91/47/34/495914734.db2.gz IOVULFYDTAXKFU-KXBFYZLASA-N 1 0 371.437 3.007 10 5 FGBERO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2ccccc2)cc1 ZINC000174660464 496050549 /nfs/dbraw/zinc/05/05/49/496050549.db2.gz MESOWHPCXRDZIQ-MGPUTAFESA-N 1 0 366.421 3.170 10 5 FGBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000247686575 496905541 /nfs/dbraw/zinc/90/55/41/496905541.db2.gz VCIGPRYLXKYJTJ-YPMHNXCESA-N 1 0 352.822 3.339 10 5 FGBERO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000192240781 497045591 /nfs/dbraw/zinc/04/55/91/497045591.db2.gz PXVOOIGZAKWSDQ-UHFFFAOYSA-N 1 0 363.458 3.227 10 5 FGBERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190465084 497490251 /nfs/dbraw/zinc/49/02/51/497490251.db2.gz UIPXRBXXFFLQGK-MRXNPFEDSA-N 1 0 360.483 3.314 10 5 FGBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190492313 497502420 /nfs/dbraw/zinc/50/24/20/497502420.db2.gz YGBSMXVKFLGXFD-SFHVURJKSA-N 1 0 354.454 3.252 10 5 FGBERO Cc1c(Br)c(NCc2ccc3c(c2)C[NH2+]C3)ncc1[N+](=O)[O-] ZINC000262433899 497556208 /nfs/dbraw/zinc/55/62/08/497556208.db2.gz GCMVIJLRDASBSK-UHFFFAOYSA-N 1 0 363.215 3.276 10 5 FGBERO COC(=O)c1cc([N+](=O)[O-])c(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1Cl ZINC000301655458 498208916 /nfs/dbraw/zinc/20/89/16/498208916.db2.gz HQOAVVFTFCFLHB-HZMBPMFUSA-N 1 0 355.822 3.175 10 5 FGBERO