smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NC1CC1)[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000024515404 539733162 /nfs/dbraw/zinc/73/31/62/539733162.db2.gz FPEYUTSLAKPLAP-ROUUACIJSA-N 0 1 355.394 2.238 50 5 FEBAMN COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000001110639 219371754 /nfs/dbraw/zinc/37/17/54/219371754.db2.gz SQYMSOMMKPSXNR-UHFFFAOYSA-N 0 1 350.352 2.491 50 5 FEBAMN CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000028813955 539837318 /nfs/dbraw/zinc/83/73/18/539837318.db2.gz SFOCYPJZHQVYBW-UHFFFAOYSA-N 0 1 358.398 2.055 50 5 FEBAMN COC(=O)C[C@H](c1cccc([N+](=O)[O-])c1)c1c(O)nc2ccccn2c1=O ZINC000205968681 206337583 /nfs/dbraw/zinc/33/75/83/206337583.db2.gz SLYRZFDOEWJXEH-CYBMUJFWSA-N 0 1 369.333 2.003 50 5 FEBAMN Cc1nn(C)c2ncc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc12 ZINC000024376412 539730194 /nfs/dbraw/zinc/73/01/94/539730194.db2.gz WQPSWHTYVIEBPH-UHFFFAOYSA-N 0 1 361.383 2.294 50 5 FEBAMN CC[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC1 ZINC000032916562 539959518 /nfs/dbraw/zinc/95/95/18/539959518.db2.gz IZEKFGCDYAWSRT-LBPRGKRZSA-N 0 1 361.851 2.401 50 5 FEBAMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)N(C)C)c([N+](=O)[O-])c1 ZINC000010330856 204009752 /nfs/dbraw/zinc/00/97/52/204009752.db2.gz MFCODGLOGUXWLG-QGZVFWFLSA-N 0 1 370.409 2.261 50 5 FEBAMN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000002843370 204061897 /nfs/dbraw/zinc/06/18/97/204061897.db2.gz IZQZMOLERYNIJY-UHFFFAOYSA-N 0 1 368.367 2.421 50 5 FEBAMN N=C1Nc2nc3ccccc3n2[C@@H](c2cc3c(cc2[N+](=O)[O-])OCCO3)N1 ZINC000048356217 205161341 /nfs/dbraw/zinc/16/13/41/205161341.db2.gz LCQGRVXWZNPDKD-HNNXBMFYSA-N 0 1 366.337 2.212 50 5 FEBAMN O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)cc1NCCc1ccccc1 ZINC000019842855 527362705 /nfs/dbraw/zinc/36/27/05/527362705.db2.gz LIRZLCMFCJTNJL-UHFFFAOYSA-N 0 1 370.453 2.364 50 5 FEBAMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCN(C)C1CC1)C1CC1 ZINC000225390277 548732648 /nfs/dbraw/zinc/73/26/48/548732648.db2.gz KKKSQZWABOPBFT-UHFFFAOYSA-N 0 1 353.444 2.151 50 5 FEBAMN COC(=O)c1ccc(OC(=O)C[S@](=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000008468197 571047652 /nfs/dbraw/zinc/04/76/52/571047652.db2.gz FWZLNQSGWDMVNZ-RUZDIDTESA-N 0 1 363.347 2.095 50 5 FEBAMN O=[N+]([O-])c1ccc(NC[C@H]([C@@H]2CCOC2)N2CCOCC2)c2ncccc12 ZINC000032909006 539958732 /nfs/dbraw/zinc/95/87/32/539958732.db2.gz TULVWPWZRJXUNR-RDTXWAMCSA-N 0 1 372.425 2.292 50 5 FEBAMN COc1c2c(cc3c1[C@@H](CC(O)=C1CCOC1=O)[N+](C)(C)CC3)OCO2 ZINC000103938808 206236534 /nfs/dbraw/zinc/23/65/34/206236534.db2.gz JGXPEYVSPZHZPO-CYBMUJFWSA-O 0 1 362.402 2.247 50 5 FEBAMN C[C@@H](OC(=O)[C@@H]1CCCc2cn[nH]c21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000095443969 542969834 /nfs/dbraw/zinc/96/98/34/542969834.db2.gz DJZIFCPMFNQPNV-QMTHXVAHSA-N 0 1 358.354 2.308 50 5 FEBAMN C[C@@H](NC[C@H]1COc2ccccc2O1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003373973 204095983 /nfs/dbraw/zinc/09/59/83/204095983.db2.gz UGWBQSJWKDYWFQ-DOMZBBRYSA-N 0 1 357.366 2.351 50 5 FEBAMN COc1cc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000006316513 204244149 /nfs/dbraw/zinc/24/41/49/204244149.db2.gz BDSWGAYJKKTLNP-UHFFFAOYSA-N 0 1 368.367 2.421 50 5 FEBAMN O=c1c2cc3c(ccn(C4CCCCC4)c3=O)nc2ccn1-c1nnc[nH]1 ZINC000040267025 205064825 /nfs/dbraw/zinc/06/48/25/205064825.db2.gz PZXRNFLZSNIQPR-UHFFFAOYSA-N 0 1 362.393 2.324 50 5 FEBAMN Cc1nc(C2(NS(=O)(=O)c3ccccc3[N+](=O)[O-])CCCCC2)no1 ZINC000046800161 205139207 /nfs/dbraw/zinc/13/92/07/205139207.db2.gz AFLSMLNYGMITRI-UHFFFAOYSA-N 0 1 366.399 2.424 50 5 FEBAMN N=C1Nc2nc3ccccc3n2[C@H](c2cc3c(cc2[N+](=O)[O-])OCCO3)N1 ZINC000048356216 205160751 /nfs/dbraw/zinc/16/07/51/205160751.db2.gz LCQGRVXWZNPDKD-OAHLLOKOSA-N 0 1 366.337 2.212 50 5 FEBAMN O=C1CCc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc3c2N1CC3 ZINC000005153427 206189951 /nfs/dbraw/zinc/18/99/51/206189951.db2.gz BEPVKVQTSNAGLK-UHFFFAOYSA-N 0 1 373.390 2.231 50 5 FEBAMN O=C1[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccccc1F ZINC000103590454 206234651 /nfs/dbraw/zinc/23/46/51/206234651.db2.gz QPXJOTPVIWTCBX-ZFWWWQNUSA-N 0 1 355.281 2.026 50 5 FEBAMN COc1c2c(cc3c1[C@H](CC(O)=C1CCOC1=O)[N+](C)(C)CC3)OCO2 ZINC000103938803 206236047 /nfs/dbraw/zinc/23/60/47/206236047.db2.gz JGXPEYVSPZHZPO-ZDUSSCGKSA-O 0 1 362.402 2.247 50 5 FEBAMN CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccccn2)N[C@H](c2ccccn2)[C@H]1[N+](=O)[O-] ZINC000253387402 549685427 /nfs/dbraw/zinc/68/54/27/549685427.db2.gz PDCGKLLRCGMRSP-QKPAOTATSA-N 0 1 357.370 2.179 50 5 FEBAMN Cc1ccc(-c2noc(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000005389134 204206507 /nfs/dbraw/zinc/20/65/07/204206507.db2.gz PZLSFOSGCRSJFY-UHFFFAOYSA-N 0 1 374.378 2.432 50 5 FEBAMN CCCN1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1 ZINC000095412780 542969350 /nfs/dbraw/zinc/96/93/50/542969350.db2.gz HXDZNNLIQHFWOG-UHFFFAOYSA-N 0 1 359.423 2.149 50 5 FEBAMN CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2ccccn2)N[C@@H](c2ccccn2)[C@H]1[N+](=O)[O-] ZINC000012402020 539558358 /nfs/dbraw/zinc/55/83/58/539558358.db2.gz PDCGKLLRCGMRSP-SYMSYNOKSA-N 0 1 357.370 2.179 50 5 FEBAMN O=C(NC1CC1)[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000024515399 539733437 /nfs/dbraw/zinc/73/34/37/539733437.db2.gz FPEYUTSLAKPLAP-ZWKOTPCHSA-N 0 1 355.394 2.238 50 5 FEBAMN O=C1[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000100877153 543025919 /nfs/dbraw/zinc/02/59/19/543025919.db2.gz DLCOVGZXKOQURS-HIFRSBDPSA-N 0 1 355.281 2.026 50 5 FEBAMN COc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O ZINC000100370272 543025019 /nfs/dbraw/zinc/02/50/19/543025019.db2.gz QGDOZEDFQRCHHS-KPKJPENVSA-N 0 1 355.306 2.406 50 5 FEBAMN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)Nc3ncnn32)cc1[N+](=O)[O-] ZINC000004070659 539375396 /nfs/dbraw/zinc/37/53/96/539375396.db2.gz UNXHUSRGJGPFKU-HNNXBMFYSA-N 0 1 373.369 2.435 50 5 FEBAMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000012768883 539572563 /nfs/dbraw/zinc/57/25/63/539572563.db2.gz HKTAOQFUCKSJNQ-CQSZACIVSA-N 0 1 369.377 2.328 50 5 FEBAMN Cc1ccc(O)c(C(=O)c2cnn(C(=O)c3cc([N+](=O)[O-])cn3C)c2)c1 ZINC000014226636 539600125 /nfs/dbraw/zinc/60/01/25/539600125.db2.gz DDJNWQOCXYDFOH-UHFFFAOYSA-N 0 1 354.322 2.063 50 5 FEBAMN COc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000017075555 539639128 /nfs/dbraw/zinc/63/91/28/539639128.db2.gz GLPGOXUIGROJKR-UHFFFAOYSA-N 0 1 368.367 2.421 50 5 FEBAMN CN(C)[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000023106664 539706069 /nfs/dbraw/zinc/70/60/69/539706069.db2.gz QZWPPIAQYAOXHQ-CYBMUJFWSA-N 0 1 362.411 2.014 50 5 FEBAMN Cc1n[nH]c(-n2ccc3nc4ccn(CCC(C)C)c(=O)c4cc3c2=O)n1 ZINC000040286921 208245520 /nfs/dbraw/zinc/24/55/20/208245520.db2.gz MOSZDHOHZIHKKZ-UHFFFAOYSA-N 0 1 364.409 2.173 50 5 FEBAMN COC(=O)C[C@H](c1cccc([N+](=O)[O-])c1)c1c(O)nc2ccccn2c1=O ZINC000096118236 542992142 /nfs/dbraw/zinc/99/21/42/542992142.db2.gz PQXRLWVUNNXICR-CYBMUJFWSA-N 0 1 369.333 2.003 50 5 FEBAMN O=C(NCC1CC1)[C@H]1CCCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000048253743 570940725 /nfs/dbraw/zinc/94/07/25/570940725.db2.gz DAOULPFDSMSULX-HNNXBMFYSA-N 0 1 357.414 2.140 50 5 FEBAMN O=C(c1[nH]nc2ccccc21)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000015382292 539617005 /nfs/dbraw/zinc/61/70/05/539617005.db2.gz FJLWISWFYGNZSW-UHFFFAOYSA-N 0 1 351.366 2.434 50 5 FEBAMN O=C(NC1CC1)[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000024515401 539733236 /nfs/dbraw/zinc/73/32/36/539733236.db2.gz FPEYUTSLAKPLAP-QZTJIDSGSA-N 0 1 355.394 2.238 50 5 FEBAMN CN(C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000047032384 209328953 /nfs/dbraw/zinc/32/89/53/209328953.db2.gz PVFSUMOJJHPQRF-INIZCTEOSA-N 0 1 363.439 2.046 50 5 FEBAMN COc1ccccc1C(=O)NC(=O)COC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000003513158 539368408 /nfs/dbraw/zinc/36/84/08/539368408.db2.gz IQEAWKXZDPSFLP-UHFFFAOYSA-N 0 1 372.333 2.025 50 5 FEBAMN O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000045939459 571054138 /nfs/dbraw/zinc/05/41/38/571054138.db2.gz QCFFKXBHGZFQAT-MFKMUULPSA-N 0 1 359.304 2.146 50 5 FEBAMN CS(=O)(=O)Nc1ccccc1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000018263306 539648830 /nfs/dbraw/zinc/64/88/30/539648830.db2.gz NUMKPHAEHWNMMS-UHFFFAOYSA-N 0 1 350.352 2.323 50 5 FEBAMN CC[C@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC1 ZINC000032916563 539959711 /nfs/dbraw/zinc/95/97/11/539959711.db2.gz IZEKFGCDYAWSRT-GFCCVEGCSA-N 0 1 361.851 2.401 50 5 FEBAMN O=C1C2ON=C(c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000103613805 543115304 /nfs/dbraw/zinc/11/53/04/543115304.db2.gz DLCOVGZXKOQURS-DZGCQCFKSA-N 0 1 355.281 2.026 50 5 FEBAMN O=[N+]([O-])c1cc(Cl)cnc1NCCN1c2ccccc2NS1(=O)=O ZINC000170601932 546163900 /nfs/dbraw/zinc/16/39/00/546163900.db2.gz IQHFVKYLJLDSFQ-UHFFFAOYSA-N 0 1 369.790 2.232 50 5 FEBAMN CC(C)N1CCC(N(C)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000024208138 539727551 /nfs/dbraw/zinc/72/75/51/539727551.db2.gz UYQLBIZIBYFVMY-UHFFFAOYSA-N 0 1 355.460 2.307 50 5 FEBAMN O=C1[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@@H]2C(=O)N1c1cccc(F)c1 ZINC000100868883 209218731 /nfs/dbraw/zinc/21/87/31/209218731.db2.gz GTTIINNVRULUMN-HIFRSBDPSA-N 0 1 355.281 2.026 50 5 FEBAMN CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OC)c([N+](=O)[O-])c1 ZINC000000955818 206851165 /nfs/dbraw/zinc/85/11/65/206851165.db2.gz QCVGWYUNLAQPDP-AWEZNQCLSA-N 0 1 359.342 2.047 50 5 FEBAMN Cc1ccc(N2CCN(C[C@@H](O)COc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000019812888 524964008 /nfs/dbraw/zinc/96/40/08/524964008.db2.gz WWPBGEJSWDKKKU-LJQANCHMSA-N 0 1 371.437 2.465 50 5 FEBAMN CC(C)CNC(=O)[C@@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000048272301 570939687 /nfs/dbraw/zinc/93/96/87/570939687.db2.gz CCFICZSGFDLGJL-CQSZACIVSA-N 0 1 359.430 2.386 50 5 FEBAMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)N(C)C)c([N+](=O)[O-])c1 ZINC000010330855 539516389 /nfs/dbraw/zinc/51/63/89/539516389.db2.gz MFCODGLOGUXWLG-KRWDZBQOSA-N 0 1 370.409 2.261 50 5 FEBAMN O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000028813953 209811685 /nfs/dbraw/zinc/81/16/85/209811685.db2.gz DCUMIVFDIKZZNN-UHFFFAOYSA-N 0 1 370.409 2.199 50 5 FEBAMN O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000009887431 207289426 /nfs/dbraw/zinc/28/94/26/207289426.db2.gz SIEDFQUAEOTMTQ-UHFFFAOYSA-N 0 1 371.393 2.063 50 5 FEBAMN CN1CCN(c2cc(NCc3ccccc3)c([N+](=O)[O-])c3nonc32)CC1 ZINC000004900512 539395743 /nfs/dbraw/zinc/39/57/43/539395743.db2.gz NBKQMZXHSLCLLM-UHFFFAOYSA-N 0 1 368.397 2.495 50 5 FEBAMN CN1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000004983197 539398764 /nfs/dbraw/zinc/39/87/64/539398764.db2.gz KSPCSQNXCHLXLL-UHFFFAOYSA-N 0 1 370.409 2.364 50 5 FEBAMN COc1cc(/C=C2/NC(=O)NC2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000001149065 219381699 /nfs/dbraw/zinc/38/16/99/219381699.db2.gz LQZPPPRLAIMBKS-NTUHNPAUSA-N 0 1 369.333 2.363 50 5 FEBAMN CCCOc1ccc([N+](=O)[O-])cc1[C@@H]1NC(=S)NC(C)=C1C(=O)OC ZINC000005102324 207080888 /nfs/dbraw/zinc/08/08/88/207080888.db2.gz KXKFZAZECOHCKS-AWEZNQCLSA-N 0 1 365.411 2.349 50 5 FEBAMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000095428352 209049179 /nfs/dbraw/zinc/04/91/79/209049179.db2.gz VQXXQWYEFIYSKP-UHFFFAOYSA-N 0 1 361.398 2.165 50 5 FEBAMN C[C@H](NC[C@H]1COc2ccccc2O1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003373972 539364707 /nfs/dbraw/zinc/36/47/07/539364707.db2.gz UGWBQSJWKDYWFQ-WFASDCNBSA-N 0 1 357.366 2.351 50 5 FEBAMN CCOc1cc([N+](=O)[O-])cc(/C=C2/C(=O)N(CC)C(=S)N2C)c1O ZINC000015011140 539608966 /nfs/dbraw/zinc/60/89/66/539608966.db2.gz LPKVZSBGEPRGIH-XFFZJAGNSA-N 0 1 351.384 2.119 50 5 FEBAMN O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000045939462 570914824 /nfs/dbraw/zinc/91/48/24/570914824.db2.gz QCFFKXBHGZFQAT-GWCFXTLKSA-N 0 1 359.304 2.146 50 5 FEBAMN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3ncnn32)cc1[N+](=O)[O-] ZINC000001914591 210375167 /nfs/dbraw/zinc/37/51/67/210375167.db2.gz 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CCCOc1ccc([N+](=O)[O-])cc1[C@H]1NC(=S)NC(C)=C1C(=O)OC ZINC000005102322 207081083 /nfs/dbraw/zinc/08/10/83/207081083.db2.gz KXKFZAZECOHCKS-CQSZACIVSA-N 0 1 365.411 2.349 50 5 FEBAMN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C=C([O-])NC(Nc2ccccc2)=[NH+]1 ZINC000009192419 207260775 /nfs/dbraw/zinc/26/07/75/207260775.db2.gz CJNHSOVXQUKXBK-HNNXBMFYSA-N 0 1 367.365 2.198 50 5 FEBAMN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc([N+](=O)[O-])c1O ZINC000036476307 208164346 /nfs/dbraw/zinc/16/43/46/208164346.db2.gz JQNWFLQFHSNEIK-ZSOIEALJSA-N 0 1 369.358 2.079 50 5 FEBAMN C[C@H](OC(=O)[C@H]1CCCc2cn[nH]c21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000095443970 209051490 /nfs/dbraw/zinc/05/14/90/209051490.db2.gz DJZIFCPMFNQPNV-HZMBPMFUSA-N 0 1 358.354 2.308 50 5 FEBAMN O=C(NCC1CC1)[C@@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000048272390 570938955 /nfs/dbraw/zinc/93/89/55/570938955.db2.gz MDGRHSFUURRELM-CQSZACIVSA-N 0 1 357.414 2.140 50 5 FEBAMN CN1CCN(c2ccccc2NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000004757645 539392264 /nfs/dbraw/zinc/39/22/64/539392264.db2.gz STGFAAXUKSHGOP-UHFFFAOYSA-N 0 1 370.409 2.364 50 5 FEBAMN C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc([O-])ccc2[N+](=O)[O-])N3)C1 ZINC000017820215 539643917 /nfs/dbraw/zinc/64/39/17/539643917.db2.gz RYQQMBMIOLYZOT-AWEZNQCLSA-N 0 1 360.395 2.204 50 5 FEBAMN C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc([O-])ccc2[N+](=O)[O-])N3)C1 ZINC000017820215 539643921 /nfs/dbraw/zinc/64/39/21/539643921.db2.gz RYQQMBMIOLYZOT-AWEZNQCLSA-N 0 1 360.395 2.204 50 5 FEBAMN N=C1Nc2nc3ccccc3n2[C@@H](c2c[nH]nc2-c2cccc([N+](=O)[O-])c2)N1 ZINC000004623172 207032882 /nfs/dbraw/zinc/03/28/82/207032882.db2.gz HITVIZWXLYECFD-INIZCTEOSA-N 0 1 374.364 2.431 50 5 FEBAMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000005077896 539401261 /nfs/dbraw/zinc/40/12/61/539401261.db2.gz OBZIFVIWXQOOIO-UHFFFAOYSA-N 0 1 363.395 2.406 50 5 FEBAMN Cc1cccc(-c2noc(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])n2)c1 ZINC000006757615 539435766 /nfs/dbraw/zinc/43/57/66/539435766.db2.gz 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O=C(CN1CCN2CCCC[C@@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000075148764 542156072 /nfs/dbraw/zinc/15/60/72/542156072.db2.gz ZANXALPXQAGQQA-CYBMUJFWSA-N 0 1 352.822 2.357 50 5 FEBAMN O=C1[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@@H]2C(=O)N1c1ccccc1F ZINC000100872765 222255137 /nfs/dbraw/zinc/25/51/37/222255137.db2.gz QPXJOTPVIWTCBX-HIFRSBDPSA-N 0 1 355.281 2.026 50 5 FEBAMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000023106521 539706281 /nfs/dbraw/zinc/70/62/81/539706281.db2.gz VGDPFINGODGWDL-ZDUSSCGKSA-N 0 1 362.411 2.014 50 5 FEBAMN CC(C)NC(=O)CN1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000032803891 539953534 /nfs/dbraw/zinc/95/35/34/539953534.db2.gz STOSXNQFGZRJLX-UHFFFAOYSA-N 0 1 371.441 2.180 50 5 FEBAMN O=C1[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000103613807 222339759 /nfs/dbraw/zinc/33/97/59/222339759.db2.gz DLCOVGZXKOQURS-ZFWWWQNUSA-N 0 1 355.281 2.026 50 5 FEBAMN O=C1[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccccc1F 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GTTIINNVRULUMN-DZGCQCFKSA-N 0 1 355.281 2.026 50 5 FEBAMN COc1ccc(C(=O)C=C([O-])C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000101354857 222271018 /nfs/dbraw/zinc/27/10/18/222271018.db2.gz JQLGEPIAQNTZPL-UHFFFAOYSA-N 0 1 372.333 2.393 50 5 FEBAMN COc1cc(CSc2nc(N)cc(N)n2)c([N+](=O)[O-])cc1OC(F)F ZINC000009339247 539501442 /nfs/dbraw/zinc/50/14/42/539501442.db2.gz HKOFLHDXJJMNGC-UHFFFAOYSA-N 0 1 373.341 2.452 50 5 FEBAMN O=[N+]([O-])c1ccc(NC[C@@H]([C@H]2CCOC2)N2CCOCC2)c2ncccc12 ZINC000032909007 539958721 /nfs/dbraw/zinc/95/87/21/539958721.db2.gz TULVWPWZRJXUNR-KSSFIOAISA-N 0 1 372.425 2.292 50 5 FEBAMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000010332747 210358284 /nfs/dbraw/zinc/35/82/84/210358284.db2.gz SLGXZBFTYMHQNK-INIZCTEOSA-N 0 1 374.372 2.092 50 5 FEBAMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(NC(=O)c2cnn(C)c2)CC1 ZINC000052903989 221040987 /nfs/dbraw/zinc/04/09/87/221040987.db2.gz VTBXIVKHEYPFBQ-ZDUSSCGKSA-N 0 1 357.414 2.284 50 5 FEBAMN O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)cc1NCc1ccccc1 ZINC000019419175 539657643 /nfs/dbraw/zinc/65/76/43/539657643.db2.gz OQUFWNXVATWOEL-UHFFFAOYSA-N 0 1 356.426 2.321 50 5 FEBAMN CN(C)[C@H]1CCC[C@@H]1Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000170603351 546163413 /nfs/dbraw/zinc/16/34/13/546163413.db2.gz IDDHWOVBPJOLTO-JQWIXIFHSA-N 0 1 363.386 2.486 50 5 FEBAMN COC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000004697317 219597493 /nfs/dbraw/zinc/59/74/93/219597493.db2.gz MJIUUCJINDPPSY-UHFFFAOYSA-N 0 1 350.352 2.491 50 5 FEBAMN O=[N+]([O-])c1ccc(=NNS(=O)(=O)c2ccc(Br)cc2)[nH]c1 ZINC000020031439 211265384 /nfs/dbraw/zinc/26/53/84/211265384.db2.gz WYNOWTYVXSTRBN-UHFFFAOYSA-N 0 1 373.188 2.058 50 5 FEBAMN Cc1ccc(NC2=[NH+][C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)C=C([O-])N2)cc1 ZINC000009192442 539498771 /nfs/dbraw/zinc/49/87/71/539498771.db2.gz BDPRWNIZCFONPX-OAHLLOKOSA-N 0 1 367.365 2.198 50 5 FEBAMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000010332654 210357982 /nfs/dbraw/zinc/35/79/82/210357982.db2.gz ISUHGSOFTFFKEQ-MRXNPFEDSA-N 0 1 374.372 2.092 50 5 FEBAMN O=C1[C@@H]2C(c3cccc([N+](=O)[O-])c3)=NO[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000101051583 222260931 /nfs/dbraw/zinc/26/09/31/222260931.db2.gz HGPWSYYQHHICAG-HIFRSBDPSA-N 0 1 355.281 2.026 50 5 FEBAMN COC(=O)c1ccc(C)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000005028156 539400430 /nfs/dbraw/zinc/40/04/30/539400430.db2.gz ZBPCGHNRSXTSDU-UHFFFAOYSA-N 0 1 350.352 2.491 50 5 FEBAMN O=C(NC[C@H](O)CN1CCc2ccccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000031663612 539915205 /nfs/dbraw/zinc/91/52/05/539915205.db2.gz HAENWGYCDPPRAI-INIZCTEOSA-N 0 1 370.409 2.136 50 5 FEBAMN O=[N+]([O-])c1ccc(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)cc1 ZINC000019813144 527373034 /nfs/dbraw/zinc/37/30/34/527373034.db2.gz YUCVJMDCNFAFMN-SFHVURJKSA-N 0 1 357.410 2.157 50 5 FEBAMN CN1CCN(c2ccc(NC(=O)Nc3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000032889675 539956651 /nfs/dbraw/zinc/95/66/51/539956651.db2.gz TVTUDRJORFUFDT-UHFFFAOYSA-N 0 1 356.386 2.386 50 5 FEBAMN COC(=O)c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1C ZINC000095457184 542971086 /nfs/dbraw/zinc/97/10/86/542971086.db2.gz XBJHPOSEGSLRKU-UHFFFAOYSA-N 0 1 350.352 2.491 50 5 FEBAMN Cc1c(NC(=O)CCN2CCN(c3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000032903010 539957772 /nfs/dbraw/zinc/95/77/72/539957772.db2.gz HJASOVCFZXPPLX-UHFFFAOYSA-N 0 1 369.425 2.449 50 5 FEBAMN O=C1[C@@H]2ON=C(c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000103559507 222338691 /nfs/dbraw/zinc/33/86/91/222338691.db2.gz HGPWSYYQHHICAG-UKRRQHHQSA-N 0 1 355.281 2.026 50 5 FEBAMN COC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000002868869 539355891 /nfs/dbraw/zinc/35/58/91/539355891.db2.gz QUZRIIWESOUGGP-UHFFFAOYSA-N 0 1 350.352 2.491 50 5 FEBAMN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000047241803 136122691 /nfs/dbraw/zinc/12/26/91/136122691.db2.gz YFWAUEHJNNFANG-ZWNOBZJWSA-N 0 1 359.304 2.146 50 5 FEBAMN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000031663614 539915045 /nfs/dbraw/zinc/91/50/45/539915045.db2.gz HAENWGYCDPPRAI-MRXNPFEDSA-N 0 1 370.409 2.136 50 5 FEBAMN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000040095072 540006114 /nfs/dbraw/zinc/00/61/14/540006114.db2.gz OJDRSURKISGDOD-AWEZNQCLSA-N 0 1 366.418 2.082 50 5 FEBAMN O=C1[C@H]2ON=C(c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000103559516 222338602 /nfs/dbraw/zinc/33/86/02/222338602.db2.gz HGPWSYYQHHICAG-ZFWWWQNUSA-N 0 1 355.281 2.026 50 5 FEBAMN NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000005883332 539418339 /nfs/dbraw/zinc/41/83/39/539418339.db2.gz DYWZOYSFTGQWPI-UHFFFAOYSA-N 0 1 355.759 2.148 50 5 FEBAMN O=C(NC1CC1)[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000024515407 539733048 /nfs/dbraw/zinc/73/30/48/539733048.db2.gz FPEYUTSLAKPLAP-MSOLQXFVSA-N 0 1 355.394 2.238 50 5 FEBAMN C[C@H](OC(=O)[C@@H]1CCCc2cn[nH]c21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000095443968 542970396 /nfs/dbraw/zinc/97/03/96/542970396.db2.gz DJZIFCPMFNQPNV-IINYFYTJSA-N 0 1 358.354 2.308 50 5 FEBAMN COc1cc([N+](=O)[O-])ccc1NC(=O)C([O-])=CC(=O)c1ccccc1OC ZINC000101354823 222272162 /nfs/dbraw/zinc/27/21/62/222272162.db2.gz ANODGXLXFSACRX-UHFFFAOYSA-N 0 1 372.333 2.393 50 5 FEBAMN COc1ccccc1C(=O)C=C(O)C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000101354823 222272165 /nfs/dbraw/zinc/27/21/65/222272165.db2.gz ANODGXLXFSACRX-UHFFFAOYSA-N 0 1 372.333 2.393 50 5 FEBAMN Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)c(C)s1 ZINC000026540735 539789529 /nfs/dbraw/zinc/78/95/29/539789529.db2.gz FMXYTFWHJFODHY-UHFFFAOYSA-N 0 1 371.440 2.478 50 5 FEBAMN O=[N+]([O-])c1ccc(NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)c2ncccc12 ZINC000032909005 539958604 /nfs/dbraw/zinc/95/86/04/539958604.db2.gz TULVWPWZRJXUNR-KDOFPFPSSA-N 0 1 372.425 2.292 50 5 FEBAMN Cc1n[nH]c(-n2ccc3nc4ccn(-c5ccccc5)c(=O)c4cc3c2=O)n1 ZINC000040398584 540009533 /nfs/dbraw/zinc/00/95/33/540009533.db2.gz VPTAMNZZXVUMHX-UHFFFAOYSA-N 0 1 370.372 2.116 50 5 FEBAMN COC(=O)CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000069923654 221328666 /nfs/dbraw/zinc/32/86/66/221328666.db2.gz BALUXHDVICJMCK-UHFFFAOYSA-N 0 1 351.403 2.079 50 5 FEBAMN O=C1C2ON=C(c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000103559512 222339009 /nfs/dbraw/zinc/33/90/09/222339009.db2.gz HGPWSYYQHHICAG-DZGCQCFKSA-N 0 1 355.281 2.026 50 5 FEBAMN