smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1C[NH+](C(C)(C)CNc2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000022357670 524553685 /nfs/dbraw/zinc/55/36/85/524553685.db2.gz XPOBYISAESMNLF-GJZGRUSLSA-N 1 1 442.582 2.971 50 5 IFBAMO C[NH+]1CCN([C@@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])c2cccs2)CC1 ZINC000032869519 556457723 /nfs/dbraw/zinc/45/77/23/556457723.db2.gz PAWVASQCJQWCRT-IBGZPJMESA-N 1 1 429.546 2.949 50 5 IFBAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000023181905 557045817 /nfs/dbraw/zinc/04/58/17/557045817.db2.gz DUKABAPPUREZJZ-HNAYVOBHSA-N 1 1 438.575 2.702 50 5 IFBAMO O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000058159135 569448868 /nfs/dbraw/zinc/44/88/68/569448868.db2.gz YKDTYMNHFRMCJS-UHFFFAOYSA-N 1 1 430.530 2.702 50 5 IFBAMO CC[NH+]1CCN(c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCC4)cc2[N+](=O)[O-])CC1 ZINC000009086988 132226643 /nfs/dbraw/zinc/22/66/43/132226643.db2.gz HREADDFHXWFAGL-UHFFFAOYSA-N 1 1 443.529 2.638 50 5 IFBAMO COc1c2c(cc3c1[C@H](Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])[N@@H+](C)CC3)OCO2 ZINC000070672291 521887628 /nfs/dbraw/zinc/88/76/28/521887628.db2.gz JLAHHIWZGARIGP-HNNXBMFYSA-N 1 1 446.372 2.920 50 5 IFBAMO COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000032854563 556432666 /nfs/dbraw/zinc/43/26/66/556432666.db2.gz KDIBCXRDZCUOQG-KRWDZBQOSA-N 1 1 429.473 2.633 50 5 IFBAMO COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000032854561 556432682 /nfs/dbraw/zinc/43/26/82/556432682.db2.gz KDIBCXRDZCUOQG-QGZVFWFLSA-N 1 1 429.473 2.633 50 5 IFBAMO Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000248108318 556662971 /nfs/dbraw/zinc/66/29/71/556662971.db2.gz MJFBFVYLUHLRPZ-LYXWCMDISA-N 1 1 446.463 2.643 50 5 IFBAMO Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000248108325 556663004 /nfs/dbraw/zinc/66/30/04/556663004.db2.gz MJFBFVYLUHLRPZ-RAZUEPIFSA-N 1 1 446.463 2.643 50 5 IFBAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000248342357 556681208 /nfs/dbraw/zinc/68/12/08/556681208.db2.gz XXWJWFMHFBTDCO-GSRZOBFVSA-N 1 1 446.463 2.643 50 5 IFBAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000103534773 557439278 /nfs/dbraw/zinc/43/92/78/557439278.db2.gz PNZBCPISBINHIY-FVJVTNMWSA-N 1 1 446.463 2.643 50 5 IFBAMO Cc1[nH+]ccn1C[C@H](O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1 ZINC000006161743 568848924 /nfs/dbraw/zinc/84/89/24/568848924.db2.gz JZKXRFFJPLLWHE-IBGZPJMESA-N 1 1 430.486 2.665 50 5 IFBAMO CC[NH+]1CCN(c2cc(N3CCN(C(=O)c4ccco4)[C@H](C)C3)c([N+](=O)[O-])cc2F)CC1 ZINC000016383242 568886359 /nfs/dbraw/zinc/88/63/59/568886359.db2.gz DWXPBZVQVPRFDQ-MRXNPFEDSA-N 1 1 445.495 2.820 50 5 IFBAMO Cc1cccc(C(=O)Nc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000036394488 569098871 /nfs/dbraw/zinc/09/88/71/569098871.db2.gz PAOYUAISEQHRQV-UHFFFAOYSA-N 1 1 430.436 2.955 50 5 IFBAMO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)s1 ZINC000058167883 569449257 /nfs/dbraw/zinc/44/92/57/569449257.db2.gz AVUWLCCBRPZRBV-QGZVFWFLSA-N 1 1 427.530 2.699 50 5 IFBAMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(C[C@@H](O)Cn3cccn3)CC2)s1 ZINC000058167883 569449258 /nfs/dbraw/zinc/44/92/58/569449258.db2.gz AVUWLCCBRPZRBV-QGZVFWFLSA-N 1 1 427.530 2.699 50 5 IFBAMO CCN1CC[NH+](CCc2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3n2C)CC1 ZINC000009016006 569496750 /nfs/dbraw/zinc/49/67/50/569496750.db2.gz MMTGWKLLQKWUCM-UHFFFAOYSA-N 1 1 436.516 2.914 50 5 IFBAMO CC[NH+]1CCN(c2nc(N)c([N+](=O)[O-])c(N3CCC(Cc4ccccc4)CC3)n2)CC1 ZINC000005217242 132275097 /nfs/dbraw/zinc/27/50/97/132275097.db2.gz VUKNRQIYKAIHTF-UHFFFAOYSA-N 1 1 425.537 2.568 50 5 IFBAMO C[NH+]1CCN(c2cc(N3CCN(C(=O)c4cccs4)CC3)c([N+](=O)[O-])cc2F)CC1 ZINC000008892224 536419866 /nfs/dbraw/zinc/41/98/66/536419866.db2.gz SFIRVCUJLRSMRY-UHFFFAOYSA-N 1 1 433.509 2.510 50 5 IFBAMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000072289318 556484638 /nfs/dbraw/zinc/48/46/38/556484638.db2.gz VQDYAAZMVMGBLN-INIZCTEOSA-N 1 1 429.456 2.777 50 5 IFBAMO Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000002452727 569305316 /nfs/dbraw/zinc/30/53/16/569305316.db2.gz MJFBFVYLUHLRPZ-YDLHNXBPSA-N 1 1 446.463 2.643 50 5 IFBAMO CC(C)c1ccc(C[NH+]2CCN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)CC2)cc1 ZINC000039969501 569482144 /nfs/dbraw/zinc/48/21/44/569482144.db2.gz JNOWSHHOVPTHOR-UHFFFAOYSA-N 1 1 438.484 2.971 50 5 IFBAMO CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000245246491 569501149 /nfs/dbraw/zinc/50/11/49/569501149.db2.gz MUDFLOGWSRAWHE-LYXWCMDISA-N 1 1 446.463 2.588 50 5 IFBAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000248342358 556681309 /nfs/dbraw/zinc/68/13/09/556681309.db2.gz XXWJWFMHFBTDCO-XMODTWTHSA-N 1 1 446.463 2.643 50 5 IFBAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015989261 568861891 /nfs/dbraw/zinc/86/18/91/568861891.db2.gz VTQUSRNWSGYSPE-QLBZUPSYSA-N 1 1 446.463 2.643 50 5 IFBAMO Cc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016000289 568862255 /nfs/dbraw/zinc/86/22/55/568862255.db2.gz KXONZDYINQEQJK-LUCIHVKJSA-N 1 1 446.463 2.643 50 5 IFBAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016010220 568862690 /nfs/dbraw/zinc/86/26/90/568862690.db2.gz YZHAQZXTTRKELF-CMCWBKRRSA-N 1 1 446.463 2.588 50 5 IFBAMO O=C(Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CCO)CC1 ZINC000016361944 568878629 /nfs/dbraw/zinc/87/86/29/568878629.db2.gz HEZSOPAWSSFHQG-UHFFFAOYSA-N 1 1 438.406 2.980 50 5 IFBAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035830083 568928017 /nfs/dbraw/zinc/92/80/17/568928017.db2.gz WAPMDJIAMPNFDS-ZHNFZGJGSA-N 1 1 446.463 2.643 50 5 IFBAMO O=C(NCc1cccnc1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000169681778 568992629 /nfs/dbraw/zinc/99/26/29/568992629.db2.gz VZBSOCFWHSXVQX-GMAHTHKFSA-N 1 1 435.528 2.912 50 5 IFBAMO CN(Cc1ccccc1F)C(=O)C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000095941517 569375455 /nfs/dbraw/zinc/37/54/55/569375455.db2.gz YWJLLAGQGUKPGS-UHFFFAOYSA-N 1 1 440.479 2.781 50 5 IFBAMO CN(Cc1ccccc1F)C(=O)C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000095941517 569375456 /nfs/dbraw/zinc/37/54/56/569375456.db2.gz YWJLLAGQGUKPGS-UHFFFAOYSA-N 1 1 440.479 2.781 50 5 IFBAMO CN1CC[NH+](CCCNC(=O)c2ccc3c4nc5ccccc5n4c(=S)[nH]c3c2)CC1 ZINC000020618198 523900132 /nfs/dbraw/zinc/90/01/32/523900132.db2.gz VFADJQVXNYQAKT-UHFFFAOYSA-N 1 1 434.569 2.692 50 5 IFBAMO O=C(NCc1cccnc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000169681777 568992593 /nfs/dbraw/zinc/99/25/93/568992593.db2.gz VZBSOCFWHSXVQX-GGAORHGYSA-N 1 1 435.528 2.912 50 5 IFBAMO CC[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@H]2C1 ZINC000249684696 569155453 /nfs/dbraw/zinc/15/54/53/569155453.db2.gz DYCVVCHUXHNSEM-AUSIDOKSSA-N 1 1 449.467 2.771 50 5 IFBAMO CC[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@H]2C1 ZINC000249684696 569155455 /nfs/dbraw/zinc/15/54/55/569155455.db2.gz DYCVVCHUXHNSEM-AUSIDOKSSA-N 1 1 449.467 2.771 50 5 IFBAMO COc1cc(OC)cc([C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c2nccn2C)c1 ZINC000032301417 569461125 /nfs/dbraw/zinc/46/11/25/569461125.db2.gz LRGHFFLKEJTUFT-SFHVURJKSA-N 1 1 436.428 2.741 50 5 IFBAMO C[C@@H]1C[NH+](C(C)(C)CNc2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000022357667 524892116 /nfs/dbraw/zinc/89/21/16/524892116.db2.gz XPOBYISAESMNLF-HUUCEWRRSA-N 1 1 442.582 2.971 50 5 IFBAMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000072289319 556484563 /nfs/dbraw/zinc/48/45/63/556484563.db2.gz VQDYAAZMVMGBLN-MRXNPFEDSA-N 1 1 429.456 2.777 50 5 IFBAMO C[C@@H]1C[C@@H](C)CN(c2nc(N)c([N+](=O)[O-])c(N3CC[NH+](Cc4ccccc4)CC3)n2)C1 ZINC000061931411 556762557 /nfs/dbraw/zinc/76/25/57/556762557.db2.gz MXNYDHJPNGKCAU-IAGOWNOFSA-N 1 1 425.537 2.772 50 5 IFBAMO CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000097141128 556992605 /nfs/dbraw/zinc/99/26/05/556992605.db2.gz WIBUOVLDPXJTIP-OAHLLOKOSA-N 1 1 440.508 2.788 50 5 IFBAMO CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000097141128 556992607 /nfs/dbraw/zinc/99/26/07/556992607.db2.gz WIBUOVLDPXJTIP-OAHLLOKOSA-N 1 1 440.508 2.788 50 5 IFBAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000102815901 557393468 /nfs/dbraw/zinc/39/34/68/557393468.db2.gz DFFPYYJAFMBLNB-FLFXDLLNSA-N 1 1 446.463 2.643 50 5 IFBAMO Cc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016000288 568862080 /nfs/dbraw/zinc/86/20/80/568862080.db2.gz KXONZDYINQEQJK-UAKAABGRSA-N 1 1 446.463 2.643 50 5 IFBAMO C[NH+]1CCN(c2cc(N3CCN(C(=O)c4ccccc4F)CC3)c([N+](=O)[O-])cc2F)CC1 ZINC000016156576 568872007 /nfs/dbraw/zinc/87/20/07/568872007.db2.gz XEJHYJXXNVBHLQ-UHFFFAOYSA-N 1 1 445.470 2.587 50 5 IFBAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035843249 525590365 /nfs/dbraw/zinc/59/03/65/525590365.db2.gz XXWJWFMHFBTDCO-FLFXDLLNSA-N 1 1 446.463 2.643 50 5 IFBAMO CC[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@@H]2C1 ZINC000033821819 556637921 /nfs/dbraw/zinc/63/79/21/556637921.db2.gz DYCVVCHUXHNSEM-WMZHIEFXSA-N 1 1 449.467 2.771 50 5 IFBAMO CC[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@@H]2C1 ZINC000033821819 556637926 /nfs/dbraw/zinc/63/79/26/556637926.db2.gz DYCVVCHUXHNSEM-WMZHIEFXSA-N 1 1 449.467 2.771 50 5 IFBAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015990265 568861854 /nfs/dbraw/zinc/86/18/54/568861854.db2.gz WAPMDJIAMPNFDS-QLBZUPSYSA-N 1 1 446.463 2.643 50 5 IFBAMO C[NH+]1CCN(c2cc(N3CCN(C(=O)c4cccc(F)c4)CC3)c([N+](=O)[O-])cc2F)CC1 ZINC000020220187 569356660 /nfs/dbraw/zinc/35/66/60/569356660.db2.gz YIGFMMZDQXLQKC-UHFFFAOYSA-N 1 1 445.470 2.587 50 5 IFBAMO CN(Cc1ccccc1)c1nc(N)c([N+](=O)[O-])c(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000057093132 569429532 /nfs/dbraw/zinc/42/95/32/569429532.db2.gz CZSYZRQHFXTJIK-UHFFFAOYSA-N 1 1 433.516 2.926 50 5 IFBAMO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000040012108 569482502 /nfs/dbraw/zinc/48/25/02/569482502.db2.gz KTESVOYCMUQREX-SFHVURJKSA-N 1 1 444.557 2.986 50 5 IFBAMO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000040012108 569482503 /nfs/dbraw/zinc/48/25/03/569482503.db2.gz KTESVOYCMUQREX-SFHVURJKSA-N 1 1 444.557 2.986 50 5 IFBAMO O=C(NCc1cccnc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035870414 526767294 /nfs/dbraw/zinc/76/72/94/526767294.db2.gz VZBSOCFWHSXVQX-FYYLOGMGSA-N 1 1 435.528 2.912 50 5 IFBAMO C[NH+]1CCN([C@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])c2cccs2)CC1 ZINC000032869520 556457556 /nfs/dbraw/zinc/45/75/56/556457556.db2.gz PAWVASQCJQWCRT-LJQANCHMSA-N 1 1 429.546 2.949 50 5 IFBAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000248006580 556655827 /nfs/dbraw/zinc/65/58/27/556655827.db2.gz WAPMDJIAMPNFDS-OKFYXZINSA-N 1 1 446.463 2.643 50 5 IFBAMO C[C@H]1C[C@H](C)CN(c2nc(N)c([N+](=O)[O-])c(N3CC[NH+](Cc4ccccc4)CC3)n2)C1 ZINC000061931408 556762414 /nfs/dbraw/zinc/76/24/14/556762414.db2.gz MXNYDHJPNGKCAU-IRXDYDNUSA-N 1 1 425.537 2.772 50 5 IFBAMO C[C@@H]1CCc2c(sc3nc4c5ccccc5c(N5CC[NH+](CCO)CC5)nn4c(=O)c23)C1 ZINC000019910709 556943091 /nfs/dbraw/zinc/94/30/91/556943091.db2.gz NNAFXWMZSRTNKQ-OAHLLOKOSA-N 1 1 449.580 2.697 50 5 IFBAMO CC[NH+]1CCN([C@H](c2cccs2)[C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000023181901 557045800 /nfs/dbraw/zinc/04/58/00/557045800.db2.gz DUKABAPPUREZJZ-KXBFYZLASA-N 1 1 438.575 2.702 50 5 IFBAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015996104 568861919 /nfs/dbraw/zinc/86/19/19/568861919.db2.gz IHHBCBQHEQVUOZ-CMCWBKRRSA-N 1 1 446.463 2.643 50 5 IFBAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016000209 568862050 /nfs/dbraw/zinc/86/20/50/568862050.db2.gz XXWJWFMHFBTDCO-UAKAABGRSA-N 1 1 446.463 2.643 50 5 IFBAMO Cc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000138071620 568928490 /nfs/dbraw/zinc/92/84/90/568928490.db2.gz KXONZDYINQEQJK-IPRDPGLQSA-N 1 1 446.463 2.643 50 5 IFBAMO CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000138103361 568930784 /nfs/dbraw/zinc/93/07/84/568930784.db2.gz HYDLLJOQCTWYSF-YDLHNXBPSA-N 1 1 446.463 2.588 50 5 IFBAMO Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)c3cc([N+](=O)[O-])cc(C)c3F)CC2)c1 ZINC000170616552 569146703 /nfs/dbraw/zinc/14/67/03/569146703.db2.gz KODYYCJEPZLLIR-UHFFFAOYSA-N 1 1 429.448 2.852 50 5 IFBAMO CC[NH+]1CCN([C@H](c2cccs2)[C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000023181894 557045742 /nfs/dbraw/zinc/04/57/42/557045742.db2.gz DUKABAPPUREZJZ-BEFAXECRSA-N 1 1 438.575 2.702 50 5 IFBAMO O=C(NC1CC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@H]12 ZINC000104914840 557464819 /nfs/dbraw/zinc/46/48/19/557464819.db2.gz LYGGWTRKOYSFNT-JTHBVZDNSA-N 1 1 436.512 2.615 50 5 IFBAMO Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016013063 568862542 /nfs/dbraw/zinc/86/25/42/568862542.db2.gz PNZBCPISBINHIY-UAKAABGRSA-N 1 1 446.463 2.643 50 5 IFBAMO C[C@@H]1C[C@H](C)CN(c2nc(N)c([N+](=O)[O-])c(N3CC[NH+](Cc4ccccc4)CC3)n2)C1 ZINC000013769872 132354535 /nfs/dbraw/zinc/35/45/35/132354535.db2.gz MXNYDHJPNGKCAU-CALCHBBNSA-N 1 1 425.537 2.772 50 5 IFBAMO COc1c2c(cc3c1[C@@H](Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])[N@@H+](C)CC3)OCO2 ZINC000070672294 521889030 /nfs/dbraw/zinc/88/90/30/521889030.db2.gz JLAHHIWZGARIGP-OAHLLOKOSA-N 1 1 446.372 2.920 50 5 IFBAMO O=C(NCc1cccnc1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035870415 526768625 /nfs/dbraw/zinc/76/86/25/526768625.db2.gz VZBSOCFWHSXVQX-JTHBVZDNSA-N 1 1 435.528 2.912 50 5 IFBAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000248128208 556667873 /nfs/dbraw/zinc/66/78/73/556667873.db2.gz VTQUSRNWSGYSPE-OKFYXZINSA-N 1 1 446.463 2.643 50 5 IFBAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000248342821 556681140 /nfs/dbraw/zinc/68/11/40/556681140.db2.gz YUSCMPHGYDSGAM-RAZUEPIFSA-N 1 1 446.463 2.643 50 5 IFBAMO C[C@H]1CCc2c(sc3nc4c5ccccc5c(N5CC[NH+](CCO)CC5)nn4c(=O)c23)C1 ZINC000019910713 556943055 /nfs/dbraw/zinc/94/30/55/556943055.db2.gz NNAFXWMZSRTNKQ-HNNXBMFYSA-N 1 1 449.580 2.697 50 5 IFBAMO O=C(CC[NH+]1CCN(Cc2ccc(Br)cn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000097002241 556978693 /nfs/dbraw/zinc/97/86/93/556978693.db2.gz PEVVCXXMXULDOR-UHFFFAOYSA-N 1 1 448.321 2.899 50 5 IFBAMO CC(C)NS(=O)(=O)c1ccc(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000024528227 557439576 /nfs/dbraw/zinc/43/95/76/557439576.db2.gz VYNOJLBEPCEPNO-GJZGRUSLSA-N 1 1 428.555 2.581 50 5 IFBAMO Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000024594852 557500062 /nfs/dbraw/zinc/50/00/62/557500062.db2.gz NISYXOSRDADRGG-UHFFFAOYSA-N 1 1 445.907 2.677 50 5 IFBAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000106535272 557530093 /nfs/dbraw/zinc/53/00/93/557530093.db2.gz PNZBCPISBINHIY-RAZUEPIFSA-N 1 1 446.463 2.643 50 5 IFBAMO Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000034799051 568738197 /nfs/dbraw/zinc/73/81/97/568738197.db2.gz MJFBFVYLUHLRPZ-FVJVTNMWSA-N 1 1 446.463 2.643 50 5 IFBAMO CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016012520 568862589 /nfs/dbraw/zinc/86/25/89/568862589.db2.gz MUDFLOGWSRAWHE-UAKAABGRSA-N 1 1 446.463 2.588 50 5 IFBAMO Nc1nc(NCCc2ccccc2)nc(N2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000054147604 568923707 /nfs/dbraw/zinc/92/37/07/568923707.db2.gz VUBSIKZPLPXLEI-UHFFFAOYSA-N 1 1 433.516 2.944 50 5 IFBAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000138126613 568931263 /nfs/dbraw/zinc/93/12/63/568931263.db2.gz PNZBCPISBINHIY-YDLHNXBPSA-N 1 1 446.463 2.643 50 5 IFBAMO CNc1ccc(C(=O)O[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000016696520 568938178 /nfs/dbraw/zinc/93/81/78/568938178.db2.gz OGOYXOJRZSHNPP-INIZCTEOSA-N 1 1 426.473 2.526 50 5 IFBAMO O=C(NC1CC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@@H]12 ZINC000169679120 568990146 /nfs/dbraw/zinc/99/01/46/568990146.db2.gz LYGGWTRKOYSFNT-GGAORHGYSA-N 1 1 436.512 2.615 50 5 IFBAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000002196878 569191348 /nfs/dbraw/zinc/19/13/48/569191348.db2.gz YUSCMPHGYDSGAM-YDLHNXBPSA-N 1 1 446.463 2.643 50 5 IFBAMO Cc1nc(N2CC[NH+](C3CCCC3)CC2)nc(N2CCN(C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000095446215 569367391 /nfs/dbraw/zinc/36/73/91/569367391.db2.gz NRGJFMPHIQCLKX-UHFFFAOYSA-N 1 1 443.596 2.822 50 5 IFBAMO O=C(c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000002767888 569420761 /nfs/dbraw/zinc/42/07/61/569420761.db2.gz KGLCMGOKOOPRCV-OAHLLOKOSA-N 1 1 434.294 2.522 50 5 IFBAMO CC(C)NS(=O)(=O)c1ccc(Nc2cccc(C[NH+]3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000058147489 569448772 /nfs/dbraw/zinc/44/87/72/569448772.db2.gz PROZSJWQOZUSTQ-UHFFFAOYSA-N 1 1 434.518 2.857 50 5 IFBAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000009332535 569523035 /nfs/dbraw/zinc/52/30/35/569523035.db2.gz YUSCMPHGYDSGAM-FVJVTNMWSA-N 1 1 446.463 2.643 50 5 IFBAMO CC(C)NS(=O)(=O)c1ccc(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000012595809 519733309 /nfs/dbraw/zinc/73/33/09/519733309.db2.gz VYNOJLBEPCEPNO-GASCZTMLSA-N 1 1 428.555 2.581 50 5 IFBAMO CC(C)NS(=O)(=O)c1ccc(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000012595809 519733311 /nfs/dbraw/zinc/73/33/11/519733311.db2.gz VYNOJLBEPCEPNO-GASCZTMLSA-N 1 1 428.555 2.581 50 5 IFBAMO COCCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000035894510 523355617 /nfs/dbraw/zinc/35/56/17/523355617.db2.gz ZKTKFFXRIBTPEK-FYYLOGMGSA-N 1 1 438.528 2.611 50 5 IFBAMO COCCNc1ccc(C(=O)NCC[NH+]2CCN(c3cccc(C)c3)CC2)cc1[N+](=O)[O-] ZINC000012545159 523962655 /nfs/dbraw/zinc/96/26/55/523962655.db2.gz AJUWALLAKAJOIS-UHFFFAOYSA-N 1 1 441.532 2.514 50 5 IFBAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000023181898 557045751 /nfs/dbraw/zinc/04/57/51/557045751.db2.gz DUKABAPPUREZJZ-DNVCBOLYSA-N 1 1 438.575 2.702 50 5 IFBAMO Cc1nn(Cc2ccc(C(=O)NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000023509465 557364565 /nfs/dbraw/zinc/36/45/65/557364565.db2.gz NCOHZHKQIDEIJP-IYBDPMFKSA-N 1 1 429.521 2.686 50 5 IFBAMO COCCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000169677321 568989693 /nfs/dbraw/zinc/98/96/93/568989693.db2.gz ZKTKFFXRIBTPEK-GGAORHGYSA-N 1 1 438.528 2.611 50 5 IFBAMO C[C@@H]1C[C@@H](C)CN(c2nc(N3CC[NH+](Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])C1 ZINC000020440224 569365551 /nfs/dbraw/zinc/36/55/51/569365551.db2.gz BJMIJVCIZPEMOH-IAGOWNOFSA-N 1 1 425.537 2.772 50 5 IFBAMO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000040012109 569482499 /nfs/dbraw/zinc/48/24/99/569482499.db2.gz KTESVOYCMUQREX-GOSISDBHSA-N 1 1 444.557 2.986 50 5 IFBAMO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000040012109 569482500 /nfs/dbraw/zinc/48/25/00/569482500.db2.gz KTESVOYCMUQREX-GOSISDBHSA-N 1 1 444.557 2.986 50 5 IFBAMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(Cc3nnnn3C3CC3)CC2)s1 ZINC000040120740 569489505 /nfs/dbraw/zinc/48/95/05/569489505.db2.gz UQZXDQSZXDMUFY-UHFFFAOYSA-N 1 1 425.518 2.963 50 5 IFBAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000245257379 569501385 /nfs/dbraw/zinc/50/13/85/569501385.db2.gz YZHAQZXTTRKELF-AZXNSQLWSA-N 1 1 446.463 2.588 50 5 IFBAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000245254886 569501407 /nfs/dbraw/zinc/50/14/07/569501407.db2.gz DFFPYYJAFMBLNB-GSRZOBFVSA-N 1 1 446.463 2.643 50 5 IFBAMO C[C@@H]1C[C@H](C)CN(c2nc(N3CC[NH+](Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])C1 ZINC000013778852 132354544 /nfs/dbraw/zinc/35/45/44/132354544.db2.gz BJMIJVCIZPEMOH-CALCHBBNSA-N 1 1 425.537 2.772 50 5 IFBAMO CCOC(=O)C1=C(C[NH2+]Cc2ccc(F)cc2)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000012412642 520521080 /nfs/dbraw/zinc/52/10/80/520521080.db2.gz SVQMAALLNGJSOH-IBGZPJMESA-N 1 1 428.420 2.695 50 5 IFBAMO CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035851621 521798370 /nfs/dbraw/zinc/79/83/70/521798370.db2.gz HYDLLJOQCTWYSF-FVJVTNMWSA-N 1 1 446.463 2.588 50 5 IFBAMO O=C(NC1CC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@@H]12 ZINC000035870427 527494466 /nfs/dbraw/zinc/49/44/66/527494466.db2.gz LYGGWTRKOYSFNT-GMAHTHKFSA-N 1 1 436.512 2.615 50 5 IFBAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000248128210 556667830 /nfs/dbraw/zinc/66/78/30/556667830.db2.gz VTQUSRNWSGYSPE-TYZOXTDXSA-N 1 1 446.463 2.643 50 5 IFBAMO Cc1[nH+]ccn1C[C@@H](O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1 ZINC000001305114 568779160 /nfs/dbraw/zinc/77/91/60/568779160.db2.gz JZKXRFFJPLLWHE-LJQANCHMSA-N 1 1 430.486 2.665 50 5 IFBAMO O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(N2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000016361614 568878683 /nfs/dbraw/zinc/87/86/83/568878683.db2.gz KTFREGMSQKGSEL-UHFFFAOYSA-N 1 1 438.406 2.980 50 5 IFBAMO CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000002346515 569281054 /nfs/dbraw/zinc/28/10/54/569281054.db2.gz MUDFLOGWSRAWHE-YDLHNXBPSA-N 1 1 446.463 2.588 50 5 IFBAMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(S(=O)(=O)N2CCCC2)c1 ZINC000055505442 569406466 /nfs/dbraw/zinc/40/64/66/569406466.db2.gz NMQAVGFJWQDZPA-UHFFFAOYSA-N 1 1 430.530 2.702 50 5 IFBAMO O=C(c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000002767887 569420816 /nfs/dbraw/zinc/42/08/16/569420816.db2.gz KGLCMGOKOOPRCV-HNNXBMFYSA-N 1 1 434.294 2.522 50 5 IFBAMO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH+](C[C@H](O)Cn3cccn3)CC2)s1 ZINC000058167882 569449265 /nfs/dbraw/zinc/44/92/65/569449265.db2.gz AVUWLCCBRPZRBV-KRWDZBQOSA-N 1 1 427.530 2.699 50 5 IFBAMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(C[C@H](O)Cn3cccn3)CC2)s1 ZINC000058167882 569449266 /nfs/dbraw/zinc/44/92/66/569449266.db2.gz AVUWLCCBRPZRBV-KRWDZBQOSA-N 1 1 427.530 2.699 50 5 IFBAMO O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)ccc1Cl ZINC000012789981 527340362 /nfs/dbraw/zinc/34/03/62/527340362.db2.gz HNCYIDYVPQDDJF-UHFFFAOYSA-N 1 1 425.894 2.559 50 5 IFBAMO Cc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016000489 556572392 /nfs/dbraw/zinc/57/23/92/556572392.db2.gz MJFBFVYLUHLRPZ-UAKAABGRSA-N 1 1 446.463 2.643 50 5 IFBAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000248337224 556680140 /nfs/dbraw/zinc/68/01/40/556680140.db2.gz PNZBCPISBINHIY-LYXWCMDISA-N 1 1 446.463 2.643 50 5 IFBAMO O=C(NC1CC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@H]12 ZINC000104914835 557464696 /nfs/dbraw/zinc/46/46/96/557464696.db2.gz LYGGWTRKOYSFNT-FYYLOGMGSA-N 1 1 436.512 2.615 50 5 IFBAMO Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016009829 568862687 /nfs/dbraw/zinc/86/26/87/568862687.db2.gz YUSCMPHGYDSGAM-UAKAABGRSA-N 1 1 446.463 2.643 50 5 IFBAMO COCCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000169677322 568989724 /nfs/dbraw/zinc/98/97/24/568989724.db2.gz ZKTKFFXRIBTPEK-GMAHTHKFSA-N 1 1 438.528 2.611 50 5 IFBAMO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000058175401 569449761 /nfs/dbraw/zinc/44/97/61/569449761.db2.gz ZHEDTLRJLCKFRM-UHFFFAOYSA-N 1 1 432.546 2.948 50 5 IFBAMO COc1cc(OC)cc([C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c2nccn2C)c1 ZINC000032301416 569461094 /nfs/dbraw/zinc/46/10/94/569461094.db2.gz LRGHFFLKEJTUFT-GOSISDBHSA-N 1 1 436.428 2.741 50 5 IFBAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000245254887 569501376 /nfs/dbraw/zinc/50/13/76/569501376.db2.gz DFFPYYJAFMBLNB-XMODTWTHSA-N 1 1 446.463 2.643 50 5 IFBAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016001865 556572819 /nfs/dbraw/zinc/57/28/19/556572819.db2.gz DFFPYYJAFMBLNB-UAKAABGRSA-N 1 1 446.463 2.643 50 5 IFBAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000248097008 556663851 /nfs/dbraw/zinc/66/38/51/556663851.db2.gz IHHBCBQHEQVUOZ-KCOOYEKVSA-N 1 1 446.463 2.643 50 5 IFBAMO CCOC(=O)C1=C(C[NH2+]Cc2ccc(F)cc2)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000012412640 562982022 /nfs/dbraw/zinc/98/20/22/562982022.db2.gz SVQMAALLNGJSOH-LJQANCHMSA-N 1 1 428.420 2.695 50 5 IFBAMO Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000138071750 568928517 /nfs/dbraw/zinc/92/85/17/568928517.db2.gz KXONZDYINQEQJK-YDLHNXBPSA-N 1 1 446.463 2.643 50 5 IFBAMO CC[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@H]2C1 ZINC000249684698 569155392 /nfs/dbraw/zinc/15/53/92/569155392.db2.gz DYCVVCHUXHNSEM-XXBNENTESA-N 1 1 449.467 2.771 50 5 IFBAMO CC[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@H]2C1 ZINC000249684698 569155394 /nfs/dbraw/zinc/15/53/94/569155394.db2.gz DYCVVCHUXHNSEM-XXBNENTESA-N 1 1 449.467 2.771 50 5 IFBAMO COCCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000035894512 523363497 /nfs/dbraw/zinc/36/34/97/523363497.db2.gz ZKTKFFXRIBTPEK-JTHBVZDNSA-N 1 1 438.528 2.611 50 5 IFBAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035828589 526212925 /nfs/dbraw/zinc/21/29/25/526212925.db2.gz VTQUSRNWSGYSPE-ZHNFZGJGSA-N 1 1 446.463 2.643 50 5 IFBAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035833054 526213750 /nfs/dbraw/zinc/21/37/50/526213750.db2.gz IHHBCBQHEQVUOZ-MTXNFPGFSA-N 1 1 446.463 2.643 50 5 IFBAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000248006582 556655853 /nfs/dbraw/zinc/65/58/53/556655853.db2.gz WAPMDJIAMPNFDS-TYZOXTDXSA-N 1 1 446.463 2.643 50 5 IFBAMO C[C@@H]1C[N@H+](C(C)(C)CNc2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000014065848 557294693 /nfs/dbraw/zinc/29/46/93/557294693.db2.gz XPOBYISAESMNLF-GASCZTMLSA-N 1 1 442.582 2.971 50 5 IFBAMO C[C@@H]1C[N@@H+](C(C)(C)CNc2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000014065848 557294695 /nfs/dbraw/zinc/29/46/95/557294695.db2.gz XPOBYISAESMNLF-GASCZTMLSA-N 1 1 442.582 2.971 50 5 IFBAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000102815892 557393479 /nfs/dbraw/zinc/39/34/79/557393479.db2.gz YZHAQZXTTRKELF-MTXNFPGFSA-N 1 1 446.463 2.588 50 5 IFBAMO CC[NH+]1CCN(c2cc(N3CCN(C(=O)c4ccco4)[C@@H](C)C3)c([N+](=O)[O-])cc2F)CC1 ZINC000016383238 568885767 /nfs/dbraw/zinc/88/57/67/568885767.db2.gz DWXPBZVQVPRFDQ-INIZCTEOSA-N 1 1 445.495 2.820 50 5 IFBAMO CNc1ccc(C(=O)O[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000016696521 568938068 /nfs/dbraw/zinc/93/80/68/568938068.db2.gz OGOYXOJRZSHNPP-MRXNPFEDSA-N 1 1 426.473 2.526 50 5 IFBAMO Cc1c(C(=O)NCCC[NH+]2CCOCC2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 ZINC000016992568 569169507 /nfs/dbraw/zinc/16/95/07/569169507.db2.gz XCTXQFVMQIJEJV-UHFFFAOYSA-N 1 1 429.502 2.732 50 5 IFBAMO CC[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@@H]2C1 ZINC000017044010 569171382 /nfs/dbraw/zinc/17/13/82/569171382.db2.gz DYCVVCHUXHNSEM-CVDCTZTESA-N 1 1 449.467 2.771 50 5 IFBAMO CC[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@@H]2C1 ZINC000017044010 569171383 /nfs/dbraw/zinc/17/13/83/569171383.db2.gz DYCVVCHUXHNSEM-CVDCTZTESA-N 1 1 449.467 2.771 50 5 IFBAMO C[C@H]1C[C@H](C)CN(c2nc(N3CC[NH+](Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])C1 ZINC000020440234 569365630 /nfs/dbraw/zinc/36/56/30/569365630.db2.gz BJMIJVCIZPEMOH-IRXDYDNUSA-N 1 1 425.537 2.772 50 5 IFBAMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)CC2)cc1 ZINC000040039604 569483335 /nfs/dbraw/zinc/48/33/35/569483335.db2.gz UEWRIVHDNXVNBD-UHFFFAOYSA-N 1 1 436.472 2.532 50 5 IFBAMO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)CC2)cc1 ZINC000040039604 569483336 /nfs/dbraw/zinc/48/33/36/569483336.db2.gz UEWRIVHDNXVNBD-UHFFFAOYSA-N 1 1 436.472 2.532 50 5 IFBAMO CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000245246492 569501167 /nfs/dbraw/zinc/50/11/67/569501167.db2.gz MUDFLOGWSRAWHE-RAZUEPIFSA-N 1 1 446.463 2.588 50 5 IFBAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000245257380 569501414 /nfs/dbraw/zinc/50/14/14/569501414.db2.gz YZHAQZXTTRKELF-KCOOYEKVSA-N 1 1 446.463 2.588 50 5 IFBAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000012376415 526775916 /nfs/dbraw/zinc/77/59/16/526775916.db2.gz TVSKXLGXGJDVEO-UHFFFAOYSA-N 1 1 431.924 2.594 50 5 IFBAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000248097002 556663609 /nfs/dbraw/zinc/66/36/09/556663609.db2.gz IHHBCBQHEQVUOZ-AZXNSQLWSA-N 1 1 446.463 2.643 50 5 IFBAMO CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000097141129 556992569 /nfs/dbraw/zinc/99/25/69/556992569.db2.gz WIBUOVLDPXJTIP-HNNXBMFYSA-N 1 1 440.508 2.788 50 5 IFBAMO CC(C)n1nccc1NC(=O)[C@H](C)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000097141129 556992570 /nfs/dbraw/zinc/99/25/70/556992570.db2.gz WIBUOVLDPXJTIP-HNNXBMFYSA-N 1 1 440.508 2.788 50 5 IFBAMO CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000102885483 557409324 /nfs/dbraw/zinc/40/93/24/557409324.db2.gz MUDFLOGWSRAWHE-FVJVTNMWSA-N 1 1 446.463 2.588 50 5 IFBAMO CC(C)NS(=O)(=O)c1ccc(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000024528230 557439483 /nfs/dbraw/zinc/43/94/83/557439483.db2.gz VYNOJLBEPCEPNO-HUUCEWRRSA-N 1 1 428.555 2.581 50 5 IFBAMO CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016009802 568862657 /nfs/dbraw/zinc/86/26/57/568862657.db2.gz HYDLLJOQCTWYSF-UAKAABGRSA-N 1 1 446.463 2.588 50 5 IFBAMO C[NH+]1CCN(c2cc(N3CCN(C(=O)c4ccc(F)cc4)CC3)c([N+](=O)[O-])cc2F)CC1 ZINC000016156384 568872063 /nfs/dbraw/zinc/87/20/63/568872063.db2.gz LWIAQOMDPLEERW-UHFFFAOYSA-N 1 1 445.470 2.587 50 5 IFBAMO CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)CN1CC[NH+](C)CC1 ZINC000008453940 569464985 /nfs/dbraw/zinc/46/49/85/569464985.db2.gz ASMYLSDEKGWOGT-UHFFFAOYSA-N 1 1 432.502 2.686 50 5 IFBAMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000040150125 569493121 /nfs/dbraw/zinc/49/31/21/569493121.db2.gz NMAFRTQLGTWZTG-UHFFFAOYSA-N 1 1 438.528 2.960 50 5 IFBAMO