smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)N(CCN(CC)CC)c1ncc([N+](=O)[O-])s1 ZINC000096027484 355698145 /nfs/dbraw/zinc/69/81/45/355698145.db2.gz YFJZHVJWHFDWFN-UHFFFAOYSA-N 0 3 316.383 2.356 50 5 DEBAHN C[C@@H](NC[C@H](c1cnn(C)c1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000095422657 296132688 /nfs/dbraw/zinc/13/26/88/296132688.db2.gz RBLBMKCWTJCNJZ-MLGOLLRUSA-N 0 3 317.393 2.282 50 5 DEBAHN O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCc1ccco1 ZINC000004333956 401726157 /nfs/dbraw/zinc/72/61/57/401726157.db2.gz KDQLWCWVKPPGQU-UHFFFAOYSA-N 0 3 302.334 2.210 50 5 DEBAHN C[C@@H](CCS(C)(=O)=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000095969383 402038295 /nfs/dbraw/zinc/03/82/95/402038295.db2.gz MRVXSYYPFRAPTO-QWRGUYRKSA-N 0 3 300.380 2.069 50 5 DEBAHN C[C@H](NC(CO)CO)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000095968591 402038507 /nfs/dbraw/zinc/03/85/07/402038507.db2.gz VHCHYVYHEODKLI-JTQLQIEISA-N 0 3 322.386 2.327 50 5 DEBAHN Cc1ccsc1CN[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000085324904 539399828 /nfs/dbraw/zinc/39/98/28/539399828.db2.gz SMZOQDVOXGNVTI-HIFRSBDPSA-N 0 3 322.386 2.149 50 5 DEBAHN Cc1[nH]nc(C(=O)Nc2ccc(C)cc2CN(C)C)c1[N+](=O)[O-] ZINC000072840676 191237153 /nfs/dbraw/zinc/23/71/53/191237153.db2.gz NAXJXNKUFAUXNC-UHFFFAOYSA-N 0 3 317.349 2.249 50 5 DEBAHN Cc1[n-]nc(C(=O)Nc2ccc(C)cc2C[NH+](C)C)c1[N+](=O)[O-] ZINC000072840676 191237156 /nfs/dbraw/zinc/23/71/56/191237156.db2.gz NAXJXNKUFAUXNC-UHFFFAOYSA-N 0 3 317.349 2.249 50 5 DEBAHN COc1ccc(C(=O)NCCN2CCCCCC2)cc1[N+](=O)[O-] ZINC000040074567 183031268 /nfs/dbraw/zinc/03/12/68/183031268.db2.gz NFEFESBEQBFROH-UHFFFAOYSA-N 0 3 321.377 2.209 50 5 DEBAHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C(=O)N(C)C)C1 ZINC000229718443 402344976 /nfs/dbraw/zinc/34/49/76/402344976.db2.gz LERLPENLESAIQV-GXTWGEPZSA-N 0 3 305.378 2.456 50 5 DEBAHN Cc1c([C@H](C)NC[C@H]2CN3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000252512124 424888376 /nfs/dbraw/zinc/88/83/76/424888376.db2.gz MYEUNCHBJXROHE-KKUMJFAQSA-N 0 3 319.405 2.417 50 5 DEBAHN COC(=O)[C@]1(C)[C@H](c2ccc(C)cc2)C([N+](=O)[O-])[C@H]2CCCN21 ZINC000643919609 778935561 /nfs/dbraw/zinc/93/55/61/778935561.db2.gz KCZDAYGAROCAGL-ANQUJSFKSA-N 0 3 318.373 2.134 50 5 DEBAHN CC[C@@H](CN1CCCC1)Nc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000072289214 354900031 /nfs/dbraw/zinc/90/00/31/354900031.db2.gz WGSVCHBOXQBCCQ-ZDUSSCGKSA-N 0 3 320.393 2.241 50 5 DEBAHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C(=O)N(C)C)C1 ZINC000058264586 184096148 /nfs/dbraw/zinc/09/61/48/184096148.db2.gz LERLPENLESAIQV-OCCSQVGLSA-N 0 3 305.378 2.456 50 5 DEBAHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCN(c2ncccc2F)C1 ZINC000097036885 402101404 /nfs/dbraw/zinc/10/14/04/402101404.db2.gz KTFQAFQIIPRULK-CYBMUJFWSA-N 0 3 316.336 2.497 50 5 DEBAHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000225731704 402322988 /nfs/dbraw/zinc/32/29/88/402322988.db2.gz ADQBPXMNKMBBGJ-CQSZACIVSA-N 0 3 320.393 2.148 50 5 DEBAHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000225731673 402323128 /nfs/dbraw/zinc/32/31/28/402323128.db2.gz ADQBPXMNKMBBGJ-AWEZNQCLSA-N 0 3 320.393 2.148 50 5 DEBAHN C[C@@H](CCN1CCN(C)CC1)Nc1cccc(F)c1[N+](=O)[O-] ZINC000274488891 403060643 /nfs/dbraw/zinc/06/06/43/403060643.db2.gz PPMCMHXABPNCHM-LBPRGKRZSA-N 0 3 310.373 2.172 50 5 DEBAHN Cc1cc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000155719879 186106311 /nfs/dbraw/zinc/10/63/11/186106311.db2.gz ZNGCZULONJUESG-SWLSCSKDSA-N 0 3 305.378 2.362 50 5 DEBAHN CC1(C)CC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000284429074 218023253 /nfs/dbraw/zinc/02/32/53/218023253.db2.gz RGLKPFIVFFZHMC-CYBMUJFWSA-N 0 3 312.391 2.147 50 5 DEBAHN C[C@H](CCS(C)(=O)=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000095969386 402038483 /nfs/dbraw/zinc/03/84/83/402038483.db2.gz MRVXSYYPFRAPTO-GHMZBOCLSA-N 0 3 300.380 2.069 50 5 DEBAHN CN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000097299781 402121710 /nfs/dbraw/zinc/12/17/10/402121710.db2.gz GIYLMNSCTSWTBF-XQRVVYSFSA-N 0 3 321.352 2.300 50 5 DEBAHN CCN1C[C@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000346203169 535779777 /nfs/dbraw/zinc/77/97/77/535779777.db2.gz YTHOIIPGBNTNIS-KBPBESRZSA-N 0 3 307.394 2.388 50 5 DEBAHN Cc1cc(C(=O)NCCN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000040108871 183037149 /nfs/dbraw/zinc/03/71/49/183037149.db2.gz JJGRIAJKCHDEEH-UHFFFAOYSA-N 0 3 305.378 2.365 50 5 DEBAHN O=C1CCC([N+](=O)[O-])[C@H](c2ccc(F)c(Br)c2)N1 ZINC000000129716 257266333 /nfs/dbraw/zinc/26/63/33/257266333.db2.gz ZSKBMMAEXSPUFR-KOLCDFICSA-N 0 3 317.114 2.185 50 5 DEBAHN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H](N2CCCC2)C1 ZINC000071886443 401692364 /nfs/dbraw/zinc/69/23/64/401692364.db2.gz HJOHQUADUDEMQK-ZDUSSCGKSA-N 0 3 321.352 2.434 50 5 DEBAHN C[C@H](NC[C@H](C)N1CCOC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000095967934 402038637 /nfs/dbraw/zinc/03/86/37/402038637.db2.gz BWIDYRLXNOAYNM-IHRRRGAJSA-N 0 3 307.394 2.355 50 5 DEBAHN O=C([C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000054991993 402073862 /nfs/dbraw/zinc/07/38/62/402073862.db2.gz QHRRZWDMRXTWFR-OAHLLOKOSA-N 0 3 317.389 2.429 50 5 DEBAHN CCN1C[C@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000346203172 535780570 /nfs/dbraw/zinc/78/05/70/535780570.db2.gz YTHOIIPGBNTNIS-KGLIPLIRSA-N 0 3 307.394 2.388 50 5 DEBAHN CN1CCC(N(CCO)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000888095840 635522487 /nfs/dbraw/zinc/52/24/87/635522487.db2.gz ZKSFEFLKCVJRGA-UHFFFAOYSA-N 0 3 313.785 2.141 50 5 DEBAHN O=C(NCCN1CCCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058887395 184130656 /nfs/dbraw/zinc/13/06/56/184130656.db2.gz MURFOWSEQOPSAA-UHFFFAOYSA-N 0 3 316.361 2.292 50 5 DEBAHN O=C([C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000096411535 402079811 /nfs/dbraw/zinc/07/98/11/402079811.db2.gz QHRRZWDMRXTWFR-HNNXBMFYSA-N 0 3 317.389 2.429 50 5 DEBAHN O=[N+]([O-])c1cn(C[C@@H]2CN(Cc3ccccc3)CCCO2)cn1 ZINC000253416118 402664870 /nfs/dbraw/zinc/66/48/70/402664870.db2.gz PYYUDLXDACLQIF-HNNXBMFYSA-N 0 3 316.361 2.082 50 5 DEBAHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H]3CCCCO3)C2)nc1 ZINC000252677545 402660789 /nfs/dbraw/zinc/66/07/89/402660789.db2.gz ZBWKJWYVYWUYMR-TZMCWYRMSA-N 0 3 306.366 2.045 50 5 DEBAHN C[N@+]1(Cc2cc(=O)[n-]c(=O)[nH]2)CCc2[nH]c3ccccc3c2C1 ZINC000253504326 402667263 /nfs/dbraw/zinc/66/72/63/402667263.db2.gz YWMJGBXUYGVISY-OAQYLSRUSA-O 0 3 311.365 2.072 50 5 biogenic DEBAHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]2c2ccsc2)c1 ZINC000096435727 402086166 /nfs/dbraw/zinc/08/61/66/402086166.db2.gz AVZYDHOLDVPDTN-UONOGXRCSA-N 0 3 322.390 2.051 50 5 DEBAHN O=[N+]([O-])c1ccnn1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000284194787 403252893 /nfs/dbraw/zinc/25/28/93/403252893.db2.gz KULZBYNPTKHXGI-HNNXBMFYSA-N 0 3 316.361 2.082 50 5 DEBAHN CS[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000089314153 278168617 /nfs/dbraw/zinc/16/86/17/278168617.db2.gz VKKQEKNUJYYBPO-QWRGUYRKSA-N 0 3 316.814 2.125 50 5 DEBAHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CCN1 ZINC000004662890 278803435 /nfs/dbraw/zinc/80/34/35/278803435.db2.gz AAKIMHLJHRBNET-CYBMUJFWSA-N 0 3 304.394 2.383 50 5 DEBAHN Cc1cc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000155719986 186106160 /nfs/dbraw/zinc/10/61/60/186106160.db2.gz ZNGCZULONJUESG-WFASDCNBSA-N 0 3 305.378 2.362 50 5 DEBAHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCc3ccccn3)C2)nc1 ZINC000096443413 402088380 /nfs/dbraw/zinc/08/83/80/402088380.db2.gz BSTMIUYPNMBMNI-AWEZNQCLSA-N 0 3 313.361 2.114 50 5 DEBAHN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1CN1CCCC1 ZINC000084387826 280190741 /nfs/dbraw/zinc/19/07/41/280190741.db2.gz VQQIRHBFTRNUBF-OAHLLOKOSA-N 0 3 303.362 2.295 50 5 DEBAHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(C)CC1 ZINC000023110406 182347526 /nfs/dbraw/zinc/34/75/26/182347526.db2.gz VSHIWVLRKDMBTQ-NSHDSACASA-N 0 3 323.418 2.286 50 5 DEBAHN O=[N+]([O-])c1cccc(CNCCc2nnc3n2CCCCC3)c1 ZINC000067698250 402168488 /nfs/dbraw/zinc/16/84/88/402168488.db2.gz AJDGXZPYFKKIBC-UHFFFAOYSA-N 0 3 315.377 2.245 50 5 DEBAHN C[N@@+]1(Cc2cc(=O)[n-]c(=O)[nH]2)CCc2[nH]c3ccccc3c2C1 ZINC000253504319 402667299 /nfs/dbraw/zinc/66/72/99/402667299.db2.gz YWMJGBXUYGVISY-NRFANRHFSA-O 0 3 311.365 2.072 50 5 biogenic DEBAHN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1CN1CCCC1 ZINC000084387828 280190774 /nfs/dbraw/zinc/19/07/74/280190774.db2.gz VQQIRHBFTRNUBF-HNNXBMFYSA-N 0 3 303.362 2.295 50 5 DEBAHN C[C@H](CCS(C)(=O)=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000095969384 298462545 /nfs/dbraw/zinc/46/25/45/298462545.db2.gz MRVXSYYPFRAPTO-MNOVXSKESA-N 0 3 300.380 2.069 50 5 DEBAHN COc1cccc(N2C[C@@H](N(C)C)[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000274699157 211845938 /nfs/dbraw/zinc/84/59/38/211845938.db2.gz PDNNHVULRJRRHG-YPMHNXCESA-N 0 3 311.407 2.085 50 5 DEBAHN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](N2CCCC2)C1 ZINC000035835532 284667032 /nfs/dbraw/zinc/66/70/32/284667032.db2.gz HTFHJRLPHRWFJR-HNNXBMFYSA-N 0 3 303.362 2.295 50 5 DEBAHN CC(C)N1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000084597496 401907204 /nfs/dbraw/zinc/90/72/04/401907204.db2.gz COBHUVFREXEKJR-UHFFFAOYSA-N 0 3 319.405 2.470 50 5 DEBAHN CCOc1ccc([C@H](C)N[C@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000095982172 402041868 /nfs/dbraw/zinc/04/18/68/402041868.db2.gz FUKPZKRVBGTFFG-AAEUAGOBSA-N 0 3 321.377 2.265 50 5 DEBAHN CN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000069529622 402229111 /nfs/dbraw/zinc/22/91/11/402229111.db2.gz HVOPPPVRWWSDMX-HNNXBMFYSA-N 0 3 305.378 2.080 50 5 DEBAHN C[C@@H]1CN(C2CCOCC2)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000278773530 214390714 /nfs/dbraw/zinc/39/07/14/214390714.db2.gz LETWRYNEDDWGOE-GFCCVEGCSA-N 0 3 323.368 2.423 50 5 DEBAHN O=C1CCC([N+](=O)[O-])[C@H](c2ccc(F)c(Br)c2)N1 ZINC000000129710 257266460 /nfs/dbraw/zinc/26/64/60/257266460.db2.gz ZSKBMMAEXSPUFR-ONGXEEELSA-N 0 3 317.114 2.185 50 5 DEBAHN C[C@H]1CN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CCN1 ZINC000004662894 401726878 /nfs/dbraw/zinc/72/68/78/401726878.db2.gz AAKIMHLJHRBNET-ZDUSSCGKSA-N 0 3 304.394 2.383 50 5 DEBAHN Cc1c(CN2CC[C@@H](CN3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000096424607 402083534 /nfs/dbraw/zinc/08/35/34/402083534.db2.gz WUGDHHXPXUSOFV-HNNXBMFYSA-N 0 3 319.405 2.057 50 5 DEBAHN C[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCOC[C@@H]1C ZINC000221896628 402304976 /nfs/dbraw/zinc/30/49/76/402304976.db2.gz BWIDYRLXNOAYNM-RDBSUJKOSA-N 0 3 307.394 2.355 50 5 DEBAHN Cc1c([C@@H](C)NCCc2nnc3n2CCC3)cccc1[N+](=O)[O-] ZINC000095419911 185360192 /nfs/dbraw/zinc/36/01/92/185360192.db2.gz PCWYWCLMYDHVSP-GFCCVEGCSA-N 0 3 315.377 2.334 50 5 DEBAHN CCN1C[C@@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000346203175 146037453 /nfs/dbraw/zinc/03/74/53/146037453.db2.gz YTHOIIPGBNTNIS-ZIAGYGMSSA-N 0 3 307.394 2.388 50 5 DEBAHN O=[N+]([O-])c1cn(C[C@H]2CN(Cc3ccccc3)CCCO2)cn1 ZINC000253416119 402664863 /nfs/dbraw/zinc/66/48/63/402664863.db2.gz PYYUDLXDACLQIF-OAHLLOKOSA-N 0 3 316.361 2.082 50 5 DEBAHN COC(=O)[C@]1(C)[C@H](c2ccc(C)cc2)C([N+](=O)[O-])[C@@H]2CCCN21 ZINC000643919610 778935414 /nfs/dbraw/zinc/93/54/14/778935414.db2.gz KCZDAYGAROCAGL-HWMZRRJGSA-N 0 3 318.373 2.134 50 5 DEBAHN CN(C)CCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000160086469 197384367 /nfs/dbraw/zinc/38/43/67/197384367.db2.gz YMMWIFDTMYXKNC-UHFFFAOYSA-N 0 3 320.271 2.297 50 5 DEBAHN O=[N+]([O-])c1cc(CN2CCN(c3ccncc3)CC2)cs1 ZINC000089884966 401970441 /nfs/dbraw/zinc/97/04/41/401970441.db2.gz MMRJGOQEBMRHNZ-UHFFFAOYSA-N 0 3 304.375 2.374 50 5 DEBAHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC2(CCC2)C1 ZINC000096009764 280376044 /nfs/dbraw/zinc/37/60/44/280376044.db2.gz LYRFGSZCOHWPKU-CYBMUJFWSA-N 0 3 306.362 2.211 50 5 DEBAHN CCOc1ccc([C@@H](C)N[C@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000095982171 402041934 /nfs/dbraw/zinc/04/19/34/402041934.db2.gz FUKPZKRVBGTFFG-YPMHNXCESA-N 0 3 321.377 2.265 50 5 DEBAHN Cc1cc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000102022543 402161205 /nfs/dbraw/zinc/16/12/05/402161205.db2.gz XYJSDOXPNUCXNL-CQSZACIVSA-N 0 3 316.361 2.381 50 5 DEBAHN CN(C)C[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000069529624 282133096 /nfs/dbraw/zinc/13/30/96/282133096.db2.gz HVOPPPVRWWSDMX-OAHLLOKOSA-N 0 3 305.378 2.080 50 5 DEBAHN Cc1c([C@H](C)NCCc2nnc3n2CCC3)cccc1[N+](=O)[O-] ZINC000095419912 185360222 /nfs/dbraw/zinc/36/02/22/185360222.db2.gz PCWYWCLMYDHVSP-LBPRGKRZSA-N 0 3 315.377 2.334 50 5 DEBAHN CC(=O)N1CC[C@H](CN(C)Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092100735 193158174 /nfs/dbraw/zinc/15/81/74/193158174.db2.gz BYZRGWRCXWSMEP-OAHLLOKOSA-N 0 3 305.378 2.203 50 5 DEBAHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2c2cccs2)c1 ZINC000107062604 402225872 /nfs/dbraw/zinc/22/58/72/402225872.db2.gz POSWYWGDPOXOEB-CHWSQXEVSA-N 0 3 322.390 2.051 50 5 DEBAHN CC(C)N1CC[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000069596341 402233818 /nfs/dbraw/zinc/23/38/18/402233818.db2.gz JUPVXMVXLDRUFZ-NPQIQWPPSA-N 0 3 303.362 2.207 50 5 DEBAHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CCN(C)CC1 ZINC000191403434 402667510 /nfs/dbraw/zinc/66/75/10/402667510.db2.gz CQGAVUOKFXZKFR-UHFFFAOYSA-N 0 3 306.366 2.427 50 5 DEBAHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)c(F)c1 ZINC000097032986 185399566 /nfs/dbraw/zinc/39/95/66/185399566.db2.gz KABUUTDHAUXMTJ-SNVBAGLBSA-N 0 3 323.299 2.386 50 5 DEBAHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C(=O)N(C)C)C1 ZINC000058264585 184096193 /nfs/dbraw/zinc/09/61/93/184096193.db2.gz LERLPENLESAIQV-JSGCOSHPSA-N 0 3 305.378 2.456 50 5 DEBAHN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](N2CCCC2)C1 ZINC000035835535 284667045 /nfs/dbraw/zinc/66/70/45/284667045.db2.gz HTFHJRLPHRWFJR-OAHLLOKOSA-N 0 3 303.362 2.295 50 5 DEBAHN CN1CCC2(CCCN2C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000095454230 402032972 /nfs/dbraw/zinc/03/29/72/402032972.db2.gz VBFYSWFPIVAXOT-UHFFFAOYSA-N 0 3 317.389 2.224 50 5 DEBAHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)N3C)c1 ZINC000221779931 274004776 /nfs/dbraw/zinc/00/47/76/274004776.db2.gz KWUSCKMSKFCIFU-OLZOCXBDSA-N 0 3 319.361 2.054 50 5 DEBAHN O=[N+]([O-])c1cccc([C@H](O)CNCc2ccc3c(c2)OCO3)c1 ZINC000020421547 182215982 /nfs/dbraw/zinc/21/59/82/182215982.db2.gz CWYOKCMZZUYCEO-CQSZACIVSA-N 0 3 316.313 2.147 50 5 DEBAHN CS[C@H]1CC[C@@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072794240 191229185 /nfs/dbraw/zinc/22/91/85/191229185.db2.gz WGRLHAQCJIAQFE-OLZOCXBDSA-N 0 3 323.418 2.410 50 5 DEBAHN COc1cccc2nc3cccc(C(=O)NCCN(C)C)c3nc21 ZINC000005957851 181300599 /nfs/dbraw/zinc/30/05/99/181300599.db2.gz CMOMBJSTLVSUTD-UHFFFAOYSA-N 0 3 324.384 2.083 50 5 DEBAHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2ccc3c(c2)OCO3)c1 ZINC000020421545 182215754 /nfs/dbraw/zinc/21/57/54/182215754.db2.gz CWYOKCMZZUYCEO-AWEZNQCLSA-N 0 3 316.313 2.147 50 5 DEBAHN C[C@H](NC[C@H](C)N1CCOC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000095967933 402038410 /nfs/dbraw/zinc/03/84/10/402038410.db2.gz BWIDYRLXNOAYNM-MJBXVCDLSA-N 0 3 307.394 2.355 50 5 DEBAHN Cc1cc(NCCN(C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000095352980 402026656 /nfs/dbraw/zinc/02/66/56/402026656.db2.gz CEBCWRFLKPQGGL-UHFFFAOYSA-N 0 3 301.350 2.334 50 5 DEBAHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2c2ccsc2)c1 ZINC000247290908 402562566 /nfs/dbraw/zinc/56/25/66/402562566.db2.gz AVZYDHOLDVPDTN-KGLIPLIRSA-N 0 3 322.390 2.051 50 5 DEBAHN C[C@H](CCN1CCN(C)CC1)Nc1cccc(F)c1[N+](=O)[O-] ZINC000274488887 403060584 /nfs/dbraw/zinc/06/05/84/403060584.db2.gz PPMCMHXABPNCHM-GFCCVEGCSA-N 0 3 310.373 2.172 50 5 DEBAHN Cc1ccc(CNCC[S@@](=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000585117157 789704524 /nfs/dbraw/zinc/70/45/24/789704524.db2.gz SKLJVMCJCUBMRR-HXUWFJFHSA-N 0 3 310.297 2.261 50 5 DEBAHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2c2ccsc2)c1 ZINC000110635409 194345130 /nfs/dbraw/zinc/34/51/30/194345130.db2.gz AVZYDHOLDVPDTN-ZIAGYGMSSA-N 0 3 322.390 2.051 50 5 DEBAHN N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H](N)c1ccc([N+](=O)[O-])cc1 ZINC000095532365 402034092 /nfs/dbraw/zinc/03/40/92/402034092.db2.gz XXBNXRXPIYAHOW-ZIAGYGMSSA-N 0 3 302.290 2.203 50 5 DEBAHN CCCN1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000337911868 404307429 /nfs/dbraw/zinc/30/74/29/404307429.db2.gz JWNNMMZMPKXKJJ-UHFFFAOYSA-N 0 3 301.350 2.070 50 5 DEBAHN O=[N+]([O-])c1c(N2CCN(C3CCCC3)CC2)nc2ccccn21 ZINC000012544679 275032562 /nfs/dbraw/zinc/03/25/62/275032562.db2.gz YVLDIYUCIKEAQY-UHFFFAOYSA-N 0 3 315.377 2.307 50 5 DEBAHN O=C1CCC([N+](=O)[O-])[C@@H](c2cc(Br)ccc2F)N1 ZINC000000090356 296326055 /nfs/dbraw/zinc/32/60/55/296326055.db2.gz COABYOWXAKKPPG-MWLCHTKSSA-N 0 3 317.114 2.185 50 5 DEBAHN C[C@H]1COC2(CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000096414908 402081359 /nfs/dbraw/zinc/08/13/59/402081359.db2.gz LGUAFJNEGXOFFH-ZDUSSCGKSA-N 0 3 306.362 2.365 50 5 DEBAHN O=[N+]([O-])c1cc(F)c(N2CCCCC2)cc1N1CCNCC1 ZINC000004872282 275033714 /nfs/dbraw/zinc/03/37/14/275033714.db2.gz PFWUHPVXZXYOCO-UHFFFAOYSA-N 0 3 308.357 2.134 50 5 DEBAHN COC(=O)[C@]1(C)[C@H](c2ccc(C)cc2)C([N+](=O)[O-])[C@@H]2CCCN21 ZINC000643919611 778935243 /nfs/dbraw/zinc/93/52/43/778935243.db2.gz KCZDAYGAROCAGL-IVSAIRAKSA-N 0 3 318.373 2.134 50 5 DEBAHN CN1CCN(CC2CCN(c3sccc3[N+](=O)[O-])CC2)CC1 ZINC000097033904 185399891 /nfs/dbraw/zinc/39/98/91/185399891.db2.gz KWCVPVVPPVSMRK-UHFFFAOYSA-N 0 3 324.450 2.120 50 5 DEBAHN CCN1CCC[C@H]1CNC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000032895432 401885654 /nfs/dbraw/zinc/88/56/54/401885654.db2.gz JPKKOMQEHWUDCY-NSHDSACASA-N 0 3 322.365 2.209 50 5 DEBAHN Cc1c([C@H](C)NC[C@H]2CN3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000095967708 402038652 /nfs/dbraw/zinc/03/86/52/402038652.db2.gz MYEUNCHBJXROHE-ZNMIVQPWSA-N 0 3 319.405 2.417 50 5 DEBAHN O=C1CCC([N+](=O)[O-])[C@H](c2cc(Br)ccc2F)N1 ZINC000000090337 296330465 /nfs/dbraw/zinc/33/04/65/296330465.db2.gz COABYOWXAKKPPG-ONGXEEELSA-N 0 3 317.114 2.185 50 5 DEBAHN C[C@H](C1CC1)N(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000078723325 401863845 /nfs/dbraw/zinc/86/38/45/401863845.db2.gz AITKGEDEWDUMQC-LLVKDONJSA-N 0 3 303.362 2.214 50 5 DEBAHN CS[C@@H]1CC[C@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000110646111 194346077 /nfs/dbraw/zinc/34/60/77/194346077.db2.gz WGRLHAQCJIAQFE-QWHCGFSZSA-N 0 3 323.418 2.410 50 5 DEBAHN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H](N2CCCC2)C1 ZINC000071886444 401692260 /nfs/dbraw/zinc/69/22/60/401692260.db2.gz HJOHQUADUDEMQK-CYBMUJFWSA-N 0 3 321.352 2.434 50 5 DEBAHN Cc1nn(C)c(NC[C@H](c2cccc(F)c2)N(C)C)c1[N+](=O)[O-] ZINC000075134701 401751031 /nfs/dbraw/zinc/75/10/31/401751031.db2.gz VWDMTIXYKMLZGF-CYBMUJFWSA-N 0 3 321.356 2.491 50 5 DEBAHN CCN1CCC(NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000097299833 402121761 /nfs/dbraw/zinc/12/17/61/402121761.db2.gz JOYWGJROCDONEN-XQRVVYSFSA-N 0 3 321.352 2.348 50 5 DEBAHN CCN(CC)CCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000004264089 181089377 /nfs/dbraw/zinc/08/93/77/181089377.db2.gz HWEDCWUOCZMPEN-UHFFFAOYSA-N 0 3 318.377 2.200 50 5 DEBAHN C[C@@H](N[C@@H](C)CCS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000095969385 278362951 /nfs/dbraw/zinc/36/29/51/278362951.db2.gz MRVXSYYPFRAPTO-WDEREUQCSA-N 0 3 300.380 2.069 50 5 DEBAHN Cc1ccsc1CN[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000085324900 539400228 /nfs/dbraw/zinc/40/02/28/539400228.db2.gz SMZOQDVOXGNVTI-UKRRQHHQSA-N 0 3 322.386 2.149 50 5 DEBAHN O=C(NCCNc1ccncc1)Nc1cccc([N+](=O)[O-])c1 ZINC000040555351 183101672 /nfs/dbraw/zinc/10/16/72/183101672.db2.gz XLIJOSFRMWFTDT-UHFFFAOYSA-N 0 3 301.306 2.223 50 5 DEBAHN O=C1CCC([N+](=O)[O-])[C@@H](c2ccc(F)c(Br)c2)N1 ZINC000000129713 257266468 /nfs/dbraw/zinc/26/64/68/257266468.db2.gz ZSKBMMAEXSPUFR-GXSJLCMTSA-N 0 3 317.114 2.185 50 5 DEBAHN O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCc1ccccn1 ZINC000004740888 401727738 /nfs/dbraw/zinc/72/77/38/401727738.db2.gz AQSMHOXTZHARHK-UHFFFAOYSA-N 0 3 313.361 2.012 50 5 DEBAHN C[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000046952221 401975958 /nfs/dbraw/zinc/97/59/58/401975958.db2.gz MNYRYKZVTXVSJD-KGLIPLIRSA-N 0 3 319.405 2.374 50 5 DEBAHN CN(C)CCSc1ncc(Br)cc1[N+](=O)[O-] ZINC000089314373 401942348 /nfs/dbraw/zinc/94/23/48/401942348.db2.gz OKILRBXGBFLTSP-UHFFFAOYSA-N 0 3 306.185 2.406 50 5 DEBAHN Cc1cnc(N(CCN(C)C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000096469366 402092959 /nfs/dbraw/zinc/09/29/59/402092959.db2.gz LWSXMLRMYNLFJM-UHFFFAOYSA-N 0 3 304.350 2.459 50 5 DEBAHN C[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCOC[C@H]1C ZINC000252510809 424888204 /nfs/dbraw/zinc/88/82/04/424888204.db2.gz BWIDYRLXNOAYNM-MCIONIFRSA-N 0 3 307.394 2.355 50 5 DEBAHN CC(=O)c1ccc(NC[C@H](O)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000052131338 332703511 /nfs/dbraw/zinc/70/35/11/332703511.db2.gz WZBJAJBUJGJFJT-AWEZNQCLSA-N 0 3 321.377 2.056 50 5 DEBAHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@@H]3CCCCO3)C2)nc1 ZINC000078950148 185134215 /nfs/dbraw/zinc/13/42/15/185134215.db2.gz ZBWKJWYVYWUYMR-JSGCOSHPSA-N 0 3 306.366 2.045 50 5 DEBAHN C[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000046952223 401975661 /nfs/dbraw/zinc/97/56/61/401975661.db2.gz MNYRYKZVTXVSJD-KBPBESRZSA-N 0 3 319.405 2.374 50 5 DEBAHN CCOc1ccc([C@H](C)N[C@@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000095982170 402042267 /nfs/dbraw/zinc/04/22/67/402042267.db2.gz FUKPZKRVBGTFFG-WCQYABFASA-N 0 3 321.377 2.265 50 5 DEBAHN O=[N+]([O-])c1ccnn1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000284194790 403252765 /nfs/dbraw/zinc/25/27/65/403252765.db2.gz KULZBYNPTKHXGI-OAHLLOKOSA-N 0 3 316.361 2.082 50 5 DEBAHN COC(=O)[C@]1(C)[C@H](c2ccc(C)cc2)C([N+](=O)[O-])[C@H]2CCCN21 ZINC000643919608 778935285 /nfs/dbraw/zinc/93/52/85/778935285.db2.gz KCZDAYGAROCAGL-AIANPOQGSA-N 0 3 318.373 2.134 50 5 DEBAHN CS[C@@H]1CC[C@@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000110646116 194345344 /nfs/dbraw/zinc/34/53/44/194345344.db2.gz WGRLHAQCJIAQFE-CHWSQXEVSA-N 0 3 323.418 2.410 50 5 DEBAHN CC1CCN(c2cc(N3CCNCC3)c([N+](=O)[O-])cc2F)CC1 ZINC000004543778 401726883 /nfs/dbraw/zinc/72/68/83/401726883.db2.gz PXXSWCOIXGBRCJ-UHFFFAOYSA-N 0 3 322.384 2.380 50 5 DEBAHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](N3CCCC3)C2)c1 ZINC000097082457 402105150 /nfs/dbraw/zinc/10/51/50/402105150.db2.gz BSCLJVYLPKHWOA-CYBMUJFWSA-N 0 3 319.361 2.056 50 5 DEBAHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2c2cccs2)c1 ZINC000241644161 225215891 /nfs/dbraw/zinc/21/58/91/225215891.db2.gz POSWYWGDPOXOEB-OLZOCXBDSA-N 0 3 322.390 2.051 50 5 DEBAHN COc1cccc(N2C[C@@H](SC)[C@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000274699155 278017149 /nfs/dbraw/zinc/01/71/49/278017149.db2.gz PDNNHVULRJRRHG-DGCLKSJQSA-N 0 3 311.407 2.085 50 5 DEBAHN Cc1ccsc1CN[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000085324902 539399708 /nfs/dbraw/zinc/39/97/08/539399708.db2.gz SMZOQDVOXGNVTI-ZFWWWQNUSA-N 0 3 322.386 2.149 50 5 DEBAHN CN(CCCNC(=O)c1ccc([N+](=O)[O-])o1)Cc1ccccc1 ZINC000041981197 183227345 /nfs/dbraw/zinc/22/73/45/183227345.db2.gz NAQFBOMJWGEIRC-UHFFFAOYSA-N 0 3 317.345 2.440 50 5 DEBAHN Cc1ccc([N+](=O)[O-])c(OCCCCN2CCN(C)CC2)c1 ZINC000004842547 181162070 /nfs/dbraw/zinc/16/20/70/181162070.db2.gz YGMQPYFWKQDOAH-UHFFFAOYSA-N 0 3 307.394 2.310 50 5 DEBAHN CC1(C)CC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000284429077 218023197 /nfs/dbraw/zinc/02/31/97/218023197.db2.gz RGLKPFIVFFZHMC-ZDUSSCGKSA-N 0 3 312.391 2.147 50 5 DEBAHN C[C@H](NC[C@@H](c1cnn(C)c1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000095422654 402032606 /nfs/dbraw/zinc/03/26/06/402032606.db2.gz RBLBMKCWTJCNJZ-LRDDRELGSA-N 0 3 317.393 2.282 50 5 DEBAHN CC1CCN(C[C@@H](O)COc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000095439057 402033117 /nfs/dbraw/zinc/03/31/17/402033117.db2.gz YIWORTVHLCTDKS-CYBMUJFWSA-N 0 3 312.341 2.206 50 5 DEBAHN CN(CCC(=O)Nc1cccc([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000095957545 402036815 /nfs/dbraw/zinc/03/68/15/402036815.db2.gz QCTPWHZLVYZDHN-OAHLLOKOSA-N 0 3 321.377 2.424 50 5 DEBAHN CCOc1ccc([C@@H](C)N[C@@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000095982169 402041863 /nfs/dbraw/zinc/04/18/63/402041863.db2.gz FUKPZKRVBGTFFG-DGCLKSJQSA-N 0 3 321.377 2.265 50 5 DEBAHN Cc1c([C@H](C)NC[C@@H]2CN3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000252512125 424888332 /nfs/dbraw/zinc/88/83/32/424888332.db2.gz MYEUNCHBJXROHE-SOUVJXGZSA-N 0 3 319.405 2.417 50 5 DEBAHN CC(=O)N1CC[C@@H](CN(C)Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092100734 193158296 /nfs/dbraw/zinc/15/82/96/193158296.db2.gz BYZRGWRCXWSMEP-HNNXBMFYSA-N 0 3 305.378 2.203 50 5 DEBAHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC2(CCC2)C1 ZINC000096009765 285164216 /nfs/dbraw/zinc/16/42/16/285164216.db2.gz LYRFGSZCOHWPKU-ZDUSSCGKSA-N 0 3 306.362 2.211 50 5 DEBAHN Cc1cc(OCCCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000003000636 401720972 /nfs/dbraw/zinc/72/09/72/401720972.db2.gz CFVMLSFMCBVJIX-UHFFFAOYSA-N 0 3 307.394 2.310 50 5 DEBAHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC(O)CC3)o2)c1 ZINC000069527472 402228985 /nfs/dbraw/zinc/22/89/85/402228985.db2.gz CYGZIIOVIFGHFE-UHFFFAOYSA-N 0 3 317.345 2.249 50 5 DEBAHN COc1cccc(N2C[C@@H](SC)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000274699156 403079364 /nfs/dbraw/zinc/07/93/64/403079364.db2.gz PDNNHVULRJRRHG-WCQYABFASA-N 0 3 311.407 2.085 50 5 DEBAHN CCC([C@H]1c2c(cc3c(c2OC)OCO3)CCN1C)[N+](=O)[O-] ZINC000020113871 401823209 /nfs/dbraw/zinc/82/32/09/401823209.db2.gz MQCPYEYBHUVZJP-GWCFXTLKSA-N 0 3 308.334 2.008 50 5 biogenic DEBAHN C[C@@H](NC[C@@H](c1cnn(C)c1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000095422655 402032524 /nfs/dbraw/zinc/03/25/24/402032524.db2.gz RBLBMKCWTJCNJZ-WBMJQRKESA-N 0 3 317.393 2.282 50 5 DEBAHN C[C@@H](NC(CO)CO)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000095968592 402038396 /nfs/dbraw/zinc/03/83/96/402038396.db2.gz VHCHYVYHEODKLI-SNVBAGLBSA-N 0 3 322.386 2.327 50 5 DEBAHN Cc1ccc(NCCCCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000095973713 402039675 /nfs/dbraw/zinc/03/96/75/402039675.db2.gz WLWLKGAQTHRVIC-UHFFFAOYSA-N 0 3 306.410 2.343 50 5 DEBAHN Cc1cc(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000247527155 524134216 /nfs/dbraw/zinc/13/42/16/524134216.db2.gz ZNGCZULONJUESG-IUODEOHRSA-N 0 3 305.378 2.362 50 5 DEBAHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H]3CCCCO3)C2)nc1 ZINC000078950145 185134264 /nfs/dbraw/zinc/13/42/64/185134264.db2.gz ZBWKJWYVYWUYMR-OCCSQVGLSA-N 0 3 306.366 2.045 50 5 DEBAHN Cc1cc(C(=O)NC2CCN(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000014528297 401812053 /nfs/dbraw/zinc/81/20/53/401812053.db2.gz NIKDQVHEGDYUAZ-UHFFFAOYSA-N 0 3 303.362 2.260 50 5 DEBAHN O=C(NC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000048367098 401999117 /nfs/dbraw/zinc/99/91/17/401999117.db2.gz YJVIFGBKLZGFQX-UHFFFAOYSA-N 0 3 317.389 2.128 50 5 DEBAHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](N3CCCC3)C2)c1 ZINC000097082456 402105169 /nfs/dbraw/zinc/10/51/69/402105169.db2.gz BSCLJVYLPKHWOA-ZDUSSCGKSA-N 0 3 319.361 2.056 50 5 DEBAHN N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H](N)c1ccc([N+](=O)[O-])cc1 ZINC000029786517 401859397 /nfs/dbraw/zinc/85/93/97/401859397.db2.gz XXBNXRXPIYAHOW-KBPBESRZSA-N 0 3 302.290 2.203 50 5 DEBAHN CN(CCC(=O)Nc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000095957544 402036484 /nfs/dbraw/zinc/03/64/84/402036484.db2.gz QCTPWHZLVYZDHN-HNNXBMFYSA-N 0 3 321.377 2.424 50 5 DEBAHN CC(=O)NCCCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000097083780 402105257 /nfs/dbraw/zinc/10/52/57/402105257.db2.gz RWIJXDSIIWOLJQ-UHFFFAOYSA-N 0 3 302.334 2.390 50 5 DEBAHN O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H](N2CCCC2)C1 ZINC000069872449 402248388 /nfs/dbraw/zinc/24/83/88/402248388.db2.gz OMHZFRSATWMOHF-CYBMUJFWSA-N 0 3 303.362 2.295 50 5 DEBAHN O=[N+]([O-])c1ccc(OC2CCN(CCn3cccn3)CC2)cc1 ZINC000174247407 198310197 /nfs/dbraw/zinc/31/01/97/198310197.db2.gz CLRFMYPLJLAMKC-UHFFFAOYSA-N 0 3 316.361 2.335 50 5 DEBAHN O=C([C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000004746222 181147109 /nfs/dbraw/zinc/14/71/09/181147109.db2.gz GQBUOBMECVJKKK-HNNXBMFYSA-N 0 3 317.389 2.429 50 5 DEBAHN C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000106078667 194184352 /nfs/dbraw/zinc/18/43/52/194184352.db2.gz MNYRYKZVTXVSJD-UONOGXRCSA-N 0 3 319.405 2.374 50 5 DEBAHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]2c2cccs2)c1 ZINC000076082255 401781475 /nfs/dbraw/zinc/78/14/75/401781475.db2.gz POSWYWGDPOXOEB-QWHCGFSZSA-N 0 3 322.390 2.051 50 5 DEBAHN CC(C)N1CC[C@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000097312364 402121620 /nfs/dbraw/zinc/12/16/20/402121620.db2.gz JUPVXMVXLDRUFZ-DANTVBBOSA-N 0 3 303.362 2.207 50 5 DEBAHN Cc1cc(N[C@@H]2CCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000097083754 402105622 /nfs/dbraw/zinc/10/56/22/402105622.db2.gz OOVFIVAQLANRCB-SNVBAGLBSA-N 0 3 321.358 2.050 50 5 DEBAHN CCN1CCC(NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000069814418 402245473 /nfs/dbraw/zinc/24/54/73/402245473.db2.gz JOYWGJROCDONEN-GQCTYLIASA-N 0 3 321.352 2.348 50 5 DEBAHN Cc1nn(C)c(NC[C@@H](c2cccc(F)c2)N(C)C)c1[N+](=O)[O-] ZINC000075134698 191428654 /nfs/dbraw/zinc/42/86/54/191428654.db2.gz VWDMTIXYKMLZGF-ZDUSSCGKSA-N 0 3 321.356 2.491 50 5 DEBAHN CCC([C@@H]1c2c(cc3c(c2OC)OCO3)CCN1C)[N+](=O)[O-] ZINC000020113877 182188577 /nfs/dbraw/zinc/18/85/77/182188577.db2.gz MQCPYEYBHUVZJP-GXFFZTMASA-N 0 3 308.334 2.008 50 5 biogenic DEBAHN Cn1cnc([N+](=O)[O-])c1N1CCN(CC2CCCCC2)CC1 ZINC000031792506 182624198 /nfs/dbraw/zinc/62/41/98/182624198.db2.gz OMCHAAYWNDOXEB-UHFFFAOYSA-N 0 3 307.398 2.031 50 5 DEBAHN CCCCn1cc[n+](Cc2nc3c(cccc3[N+](=O)[O-])[n-]2)c1 ZINC000013003160 401795436 /nfs/dbraw/zinc/79/54/36/401795436.db2.gz QMEAQMXECKXKFS-UHFFFAOYSA-N 0 3 300.342 2.409 50 5 DEBAHN CCCCn1cc[n+](Cc2nc3cccc([N+](=O)[O-])c3[n-]2)c1 ZINC000013003160 401795439 /nfs/dbraw/zinc/79/54/39/401795439.db2.gz QMEAQMXECKXKFS-UHFFFAOYSA-N 0 3 300.342 2.409 50 5 DEBAHN CCc1nc2c(s1)[C@H](NCCn1cc([N+](=O)[O-])cn1)CCC2 ZINC000090539988 539417636 /nfs/dbraw/zinc/41/76/36/539417636.db2.gz LQVAHYJGHHISAE-LLVKDONJSA-N 0 3 321.406 2.477 50 5 DEBAHN O=C1CCC([N+](=O)[O-])[C@H](c2cc(Br)ccc2F)N1 ZINC000000090348 296326390 /nfs/dbraw/zinc/32/63/90/296326390.db2.gz COABYOWXAKKPPG-KOLCDFICSA-N 0 3 317.114 2.185 50 5 DEBAHN COc1cc(NC(=O)CNCCC(C)C)c(C)cc1[N+](=O)[O-] ZINC000008038492 401747754 /nfs/dbraw/zinc/74/77/54/401747754.db2.gz VAVIEHGRJXDTFX-UHFFFAOYSA-N 0 3 309.366 2.486 50 5 DEBAHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]2c2cccs2)c1 ZINC000076082251 401781216 /nfs/dbraw/zinc/78/12/16/401781216.db2.gz POSWYWGDPOXOEB-STQMWFEESA-N 0 3 322.390 2.051 50 5 DEBAHN CN(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000069780041 402244114 /nfs/dbraw/zinc/24/41/14/402244114.db2.gz GIYLMNSCTSWTBF-GQCTYLIASA-N 0 3 321.352 2.300 50 5 DEBAHN CS[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000252517938 402657838 /nfs/dbraw/zinc/65/78/38/402657838.db2.gz VKKQEKNUJYYBPO-GHMZBOCLSA-N 0 3 316.814 2.125 50 5 DEBAHN Cc1nn(C)c(NCCc2cccc(CN(C)C)c2)c1[N+](=O)[O-] ZINC000070040620 402256154 /nfs/dbraw/zinc/25/61/54/402256154.db2.gz SKPIGPOQBCOSGU-UHFFFAOYSA-N 0 3 317.393 2.353 50 5 DEBAHN Cc1cc(N(CCN(C)C)Cc2ccccn2)ncc1[N+](=O)[O-] ZINC000095429759 185362490 /nfs/dbraw/zinc/36/24/90/185362490.db2.gz ZSKJUYJUBUPTDN-UHFFFAOYSA-N 0 3 315.377 2.261 50 5 DEBAHN C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000106078666 194183950 /nfs/dbraw/zinc/18/39/50/194183950.db2.gz MNYRYKZVTXVSJD-ZIAGYGMSSA-N 0 3 319.405 2.374 50 5 DEBAHN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000029588963 401857732 /nfs/dbraw/zinc/85/77/32/401857732.db2.gz CUDONHKZCXOGIT-CQSZACIVSA-N 0 3 315.377 2.405 50 5 DEBAHN Cc1cc(NC(=O)N2CC[C@H](N3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000102022540 402161439 /nfs/dbraw/zinc/16/14/39/402161439.db2.gz XYJSDOXPNUCXNL-AWEZNQCLSA-N 0 3 316.361 2.381 50 5 DEBAHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C(=O)N(C)C)C1 ZINC000106163602 194190313 /nfs/dbraw/zinc/19/03/13/194190313.db2.gz LERLPENLESAIQV-TZMCWYRMSA-N 0 3 305.378 2.456 50 5 DEBAHN CC(C)(C)N1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000063726265 184286618 /nfs/dbraw/zinc/28/66/18/184286618.db2.gz CXNRHHIMLWYJBT-UHFFFAOYSA-N 0 3 319.405 2.470 50 5 DEBAHN Cn1cnc([N+](=O)[O-])c1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000029588964 401857307 /nfs/dbraw/zinc/85/73/07/401857307.db2.gz CUDONHKZCXOGIT-AWEZNQCLSA-N 0 3 315.377 2.405 50 5 DEBAHN C[C@@H]1COC2(CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000096414907 402081143 /nfs/dbraw/zinc/08/11/43/402081143.db2.gz LGUAFJNEGXOFFH-CYBMUJFWSA-N 0 3 306.362 2.365 50 5 DEBAHN CC(C)N1CC[C@@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000229560076 402344071 /nfs/dbraw/zinc/34/40/71/402344071.db2.gz JUPVXMVXLDRUFZ-WBTMPAOCSA-N 0 3 303.362 2.207 50 5 DEBAHN O=[N+]([O-])c1ccc(N2CCNCC2)cc1N1CCCCCC1 ZINC000004740955 275036656 /nfs/dbraw/zinc/03/66/56/275036656.db2.gz SXABAOBUANMHHV-UHFFFAOYSA-N 0 3 304.394 2.385 50 5 DEBAHN COCc1cc([N+](=O)[O-])ccc1N1CCN(CC2CC2)CC1 ZINC000078876160 191938592 /nfs/dbraw/zinc/93/85/92/191938592.db2.gz KRBMAJRHNMYJNX-UHFFFAOYSA-N 0 3 305.378 2.273 50 5 DEBAHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCN(C)C2)c1 ZINC000096007374 402046271 /nfs/dbraw/zinc/04/62/71/402046271.db2.gz LLSQLTNLGFHIGN-NSHDSACASA-N 0 3 307.350 2.135 50 5 DEBAHN O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H](N2CCCC2)C1 ZINC000069872446 402248573 /nfs/dbraw/zinc/24/85/73/402248573.db2.gz OMHZFRSATWMOHF-ZDUSSCGKSA-N 0 3 303.362 2.295 50 5 DEBAHN COc1cc(CN(C)C2CCN(C)CC2)c([N+](=O)[O-])cc1OC ZINC000022591615 182327555 /nfs/dbraw/zinc/32/75/55/182327555.db2.gz VRTTUTPPHDBJFL-UHFFFAOYSA-N 0 3 323.393 2.138 50 5 DEBAHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCc3ccccn3)C2)nc1 ZINC000096443414 402088126 /nfs/dbraw/zinc/08/81/26/402088126.db2.gz BSTMIUYPNMBMNI-CQSZACIVSA-N 0 3 313.361 2.114 50 5 DEBAHN Cc1c(CN2CC[C@H](CN3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000096424606 402083590 /nfs/dbraw/zinc/08/35/90/402083590.db2.gz WUGDHHXPXUSOFV-OAHLLOKOSA-N 0 3 319.405 2.057 50 5 DEBAHN CN(CCN(C)C1CC1)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000521394397 257241563 /nfs/dbraw/zinc/24/15/63/257241563.db2.gz YHNJFYJDLNXEBX-UHFFFAOYSA-N 0 3 311.769 2.414 50 5 DEBAHN CCN1C[C@@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000346203173 146037516 /nfs/dbraw/zinc/03/75/16/146037516.db2.gz YTHOIIPGBNTNIS-UONOGXRCSA-N 0 3 307.394 2.388 50 5 DEBAHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCCN(C)C2)c1 ZINC000096007373 402046508 /nfs/dbraw/zinc/04/65/08/402046508.db2.gz LLSQLTNLGFHIGN-LLVKDONJSA-N 0 3 307.350 2.135 50 5 DEBAHN CC(C)N1CC[C@@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000069596343 402233967 /nfs/dbraw/zinc/23/39/67/402233967.db2.gz JUPVXMVXLDRUFZ-HSBSLETESA-N 0 3 303.362 2.207 50 5 DEBAHN O=c1oc2ccccc2c(NCCN2CCCC2)c1[N+](=O)[O-] ZINC000004866389 275044422 /nfs/dbraw/zinc/04/44/22/275044422.db2.gz VQWQYFKQPDSZCQ-UHFFFAOYSA-N 0 3 303.318 2.209 50 5 DEBAHN CCC([C@@H]1c2c(cc3c(c2OC)OCO3)CCN1C)[N+](=O)[O-] ZINC000020113879 281015702 /nfs/dbraw/zinc/01/57/02/281015702.db2.gz MQCPYEYBHUVZJP-ZWNOBZJWSA-N 0 3 308.334 2.008 50 5 biogenic DEBAHN C[C@H](NCCCn1cccn1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000095419822 402032663 /nfs/dbraw/zinc/03/26/63/402032663.db2.gz VQZCZVRVGDEKKT-NSHDSACASA-N 0 3 318.333 2.261 50 5 DEBAHN C[C@@H](NCCCn1cccn1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000095419823 185360171 /nfs/dbraw/zinc/36/01/71/185360171.db2.gz VQZCZVRVGDEKKT-LLVKDONJSA-N 0 3 318.333 2.261 50 5 DEBAHN C[C@@H](C1CC1)N(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000078723322 401863496 /nfs/dbraw/zinc/86/34/96/401863496.db2.gz AITKGEDEWDUMQC-NSHDSACASA-N 0 3 303.362 2.214 50 5 DEBAHN CS[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000089314152 401942294 /nfs/dbraw/zinc/94/22/94/401942294.db2.gz VKKQEKNUJYYBPO-MNOVXSKESA-N 0 3 316.814 2.125 50 5 DEBAHN O=C([C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000004746224 181146714 /nfs/dbraw/zinc/14/67/14/181146714.db2.gz GQBUOBMECVJKKK-OAHLLOKOSA-N 0 3 317.389 2.429 50 5 DEBAHN O=C1CCC([N+](=O)[O-])[C@@H](c2cc(Br)ccc2F)N1 ZINC000000090341 296330458 /nfs/dbraw/zinc/33/04/58/296330458.db2.gz COABYOWXAKKPPG-GXSJLCMTSA-N 0 3 317.114 2.185 50 5 DEBAHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]2c2ccsc2)c1 ZINC000096435726 402086398 /nfs/dbraw/zinc/08/63/98/402086398.db2.gz AVZYDHOLDVPDTN-KBPBESRZSA-N 0 3 322.390 2.051 50 5 DEBAHN O=[N+]([O-])c1ccc(OC2CCN(CCn3ccnc3)CC2)cc1 ZINC000131528576 196176993 /nfs/dbraw/zinc/17/69/93/196176993.db2.gz RTCIOUBWJJHLFT-UHFFFAOYSA-N 0 3 316.361 2.335 50 5 DEBAHN CCC([C@H]1c2c(cc3c(c2OC)OCO3)CCN1C)[N+](=O)[O-] ZINC000020113874 401822923 /nfs/dbraw/zinc/82/29/23/401822923.db2.gz MQCPYEYBHUVZJP-MFKMUULPSA-N 0 3 308.334 2.008 50 5 biogenic DEBAHN CCN1CCC[C@@H]1CNC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000032895431 401885457 /nfs/dbraw/zinc/88/54/57/401885457.db2.gz JPKKOMQEHWUDCY-LLVKDONJSA-N 0 3 322.365 2.209 50 5 DEBAHN COc1cccc(N2C[C@H](SC)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000274699153 295307003 /nfs/dbraw/zinc/30/70/03/295307003.db2.gz PDNNHVULRJRRHG-AAEUAGOBSA-N 0 3 311.407 2.085 50 5 DEBAHN CC[C@H](CN1CCCC1)Nc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000072289215 354899760 /nfs/dbraw/zinc/89/97/60/354899760.db2.gz WGSVCHBOXQBCCQ-CYBMUJFWSA-N 0 3 320.393 2.241 50 5 DEBAHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(C)CC1 ZINC000023110404 182347743 /nfs/dbraw/zinc/34/77/43/182347743.db2.gz VSHIWVLRKDMBTQ-LLVKDONJSA-N 0 3 323.418 2.286 50 5 DEBAHN O=[N+]([O-])c1ccsc1N1CCCN(C2CCOCC2)CC1 ZINC000096492819 285170360 /nfs/dbraw/zinc/17/03/60/285170360.db2.gz JFVMPLCZNKZEBL-UHFFFAOYSA-N 0 3 311.407 2.347 50 5 DEBAHN CS[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000107539573 402234708 /nfs/dbraw/zinc/23/47/08/402234708.db2.gz VKKQEKNUJYYBPO-WDEREUQCSA-N 0 3 316.814 2.125 50 5 DEBAHN Cc1cc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000247527147 524155408 /nfs/dbraw/zinc/15/54/08/524155408.db2.gz ZNGCZULONJUESG-DOMZBBRYSA-N 0 3 305.378 2.362 50 5 DEBAHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@H]3CCCCO3)C2)nc1 ZINC000252677544 402660731 /nfs/dbraw/zinc/66/07/31/402660731.db2.gz ZBWKJWYVYWUYMR-GXTWGEPZSA-N 0 3 306.366 2.045 50 5 DEBAHN Cc1ccsc1CN[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000085324897 539399780 /nfs/dbraw/zinc/39/97/80/539399780.db2.gz SMZOQDVOXGNVTI-DZGCQCFKSA-N 0 3 322.386 2.149 50 5 DEBAHN CC1CCN(C[C@H](O)COc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000095439056 402033002 /nfs/dbraw/zinc/03/30/02/402033002.db2.gz YIWORTVHLCTDKS-ZDUSSCGKSA-N 0 3 312.341 2.206 50 5 DEBAHN CN(CCCN(C)c1ncccc1[N+](=O)[O-])Cc1ccncc1 ZINC000585092440 405865924 /nfs/dbraw/zinc/86/59/24/405865924.db2.gz WXHXEFVPINUVLL-UHFFFAOYSA-N 0 3 315.377 2.343 50 5 DEBAHN Cc1ccc(N2CCN(CC3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000097212766 274748483 /nfs/dbraw/zinc/74/84/83/274748483.db2.gz SSPYPCXQTGFJBM-UHFFFAOYSA-N 0 3 319.405 2.452 50 5 DEBAHN COc1cc(NC(=O)CNC2CCCC2)c(C)cc1[N+](=O)[O-] ZINC000008344369 401752454 /nfs/dbraw/zinc/75/24/54/401752454.db2.gz GGLGEWPNYDAFOZ-UHFFFAOYSA-N 0 3 307.350 2.383 50 5 DEBAHN CCN1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000071858665 402289752 /nfs/dbraw/zinc/28/97/52/402289752.db2.gz QDAGVJXDPCQVNX-UHFFFAOYSA-N 0 3 309.341 2.290 50 5 DEBAHN CN1CCN(CC2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000057151556 276926541 /nfs/dbraw/zinc/92/65/41/276926541.db2.gz GYIDQDNUWSJPHE-UHFFFAOYSA-N 0 3 318.421 2.059 50 5 DEBAHN Cc1ccc(CNCC[S@](=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000585117156 789704922 /nfs/dbraw/zinc/70/49/22/789704922.db2.gz SKLJVMCJCUBMRR-FQEVSTJZSA-N 0 3 310.297 2.261 50 5 DEBAHN CS[C@H]1CC[C@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072794242 191228372 /nfs/dbraw/zinc/22/83/72/191228372.db2.gz WGRLHAQCJIAQFE-STQMWFEESA-N 0 3 323.418 2.410 50 5 DEBAHN O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCc1cccnc1 ZINC000004117526 401725500 /nfs/dbraw/zinc/72/55/00/401725500.db2.gz UNFZPHVBNJIVHW-UHFFFAOYSA-N 0 3 313.361 2.012 50 5 DEBAHN C[C@H](NC[C@H](c1cnn(C)c1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000095422656 402032628 /nfs/dbraw/zinc/03/26/28/402032628.db2.gz RBLBMKCWTJCNJZ-BLLLJJGKSA-N 0 3 317.393 2.282 50 5 DEBAHN Cc1c([C@H](C)NC[C@@H]2CN3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000095967706 402038273 /nfs/dbraw/zinc/03/82/73/402038273.db2.gz MYEUNCHBJXROHE-RRFJBIMHSA-N 0 3 319.405 2.417 50 5 DEBAHN O=[N+]([O-])c1ccccc1CN[C@H]1CCN(c2ncccc2F)C1 ZINC000097036887 402101488 /nfs/dbraw/zinc/10/14/88/402101488.db2.gz KTFQAFQIIPRULK-ZDUSSCGKSA-N 0 3 316.336 2.497 50 5 DEBAHN CCc1nc2c(s1)[C@@H](NCCn1cc([N+](=O)[O-])cn1)CCC2 ZINC000090539990 539417647 /nfs/dbraw/zinc/41/76/47/539417647.db2.gz LQVAHYJGHHISAE-NSHDSACASA-N 0 3 321.406 2.477 50 5 DEBAHN O=C1CCC([N+](=O)[O-])[C@@H](c2ccc(F)c(Br)c2)N1 ZINC000000129718 257266374 /nfs/dbraw/zinc/26/63/74/257266374.db2.gz ZSKBMMAEXSPUFR-MWLCHTKSSA-N 0 3 317.114 2.185 50 5 DEBAHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)c(F)c1 ZINC000097032985 185399806 /nfs/dbraw/zinc/39/98/06/185399806.db2.gz KABUUTDHAUXMTJ-JTQLQIEISA-N 0 3 323.299 2.386 50 5 DEBAHN Cc1cc(N[C@H]2CCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000097083755 280632907 /nfs/dbraw/zinc/63/29/07/280632907.db2.gz OOVFIVAQLANRCB-JTQLQIEISA-N 0 3 321.358 2.050 50 5 DEBAHN