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@H](C)N1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000127200093 290806120 /nfs/dbraw/zinc/80/61/20/290806120.db2.gz GTZHFXXSCWTRHK-UWVGGRQHSA-N 1 1 311.769 2.413 10 5 DEBEMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149230526 186048524 /nfs/dbraw/zinc/04/85/24/186048524.db2.gz CFDLDQRCRYFJIR-SNVBAGLBSA-N 1 1 311.769 2.272 10 5 DEBEMO CCc1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000174235998 198308763 /nfs/dbraw/zinc/30/87/63/198308763.db2.gz YVFRLMLMERPYRB-SWLSCSKDSA-N 1 1 317.389 2.466 10 5 DEBEMO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000588820304 357426136 /nfs/dbraw/zinc/42/61/36/357426136.db2.gz VRLIPPHVWNQHQM-YPMHNXCESA-N 1 1 307.398 2.183 10 5 DEBEMO O=C1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCN1 ZINC000093101656 193203345 /nfs/dbraw/zinc/20/33/45/193203345.db2.gz OZRIRKXOYCHNCH-UHFFFAOYSA-N 1 1 315.329 2.177 10 5 DEBEMO CCOC(=O)[C@@H]([NH3+])CSCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633095 193277613 /nfs/dbraw/zinc/27/76/13/193277613.db2.gz SVBQYDIKWRGAOL-JTQLQIEISA-N 1 1 318.782 2.372 10 5 DEBEMO C[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000110694803 194350557 /nfs/dbraw/zinc/35/05/57/194350557.db2.gz LJSFBKIGMNHNTC-VIFPVBQESA-N 1 1 314.183 2.498 10 5 DEBEMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[N@H+](C2CC2)CC1 ZINC000061605848 184177565 /nfs/dbraw/zinc/17/75/65/184177565.db2.gz NXKHVEQBAYFRSY-VMPITWQZSA-N 1 1 315.373 2.305 10 5 DEBEMO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000270307422 208381767 /nfs/dbraw/zinc/38/17/67/208381767.db2.gz RQRCHRDLCLSFGW-CHWSQXEVSA-N 1 1 301.350 2.186 10 5 DEBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246207227 145094580 /nfs/dbraw/zinc/09/45/80/145094580.db2.gz YHRIRDMPVMKPJX-PVAVHDDUSA-N 1 1 319.405 2.187 10 5 DEBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246763053 145113126 /nfs/dbraw/zinc/11/31/26/145113126.db2.gz LIVRNYWKMMMLMQ-XJKSGUPXSA-N 1 1 319.405 2.326 10 5 DEBEMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113230014 401771390 /nfs/dbraw/zinc/77/13/90/401771390.db2.gz RMRSXIQLGKHLEL-JSGCOSHPSA-N 1 1 303.362 2.212 10 5 DEBEMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000122753157 402093111 /nfs/dbraw/zinc/09/31/11/402093111.db2.gz JGXRHOVLJPUNEZ-QWRGUYRKSA-N 1 1 309.341 2.289 10 5 DEBEMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000124831169 402199561 /nfs/dbraw/zinc/19/95/61/402199561.db2.gz RTXCNQPVRMVIFB-LLVKDONJSA-N 1 1 316.361 2.474 10 5 DEBEMO Cc1c(CC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000125202681 402219064 /nfs/dbraw/zinc/21/90/64/402219064.db2.gz YZQIKTSXQCAJLS-IUODEOHRSA-N 1 1 319.405 2.387 10 5 DEBEMO CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000185074354 402322313 /nfs/dbraw/zinc/32/23/13/402322313.db2.gz VUUHBSOVYJDVKZ-RYUDHWBXSA-N 1 1 323.368 2.438 10 5 DEBEMO Cc1csc([C@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000176222658 402291709 /nfs/dbraw/zinc/29/17/09/402291709.db2.gz NWGJUGOSXBATAI-LBPRGKRZSA-N 1 1 321.406 2.436 10 5 DEBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000176974245 402355842 /nfs/dbraw/zinc/35/58/42/402355842.db2.gz BLEWGGKGBJYJTJ-CQSZACIVSA-N 1 1 305.378 2.080 10 5 DEBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000177018396 402359944 /nfs/dbraw/zinc/35/99/44/402359944.db2.gz MCQFAKDDVFQKAV-CQSZACIVSA-N 1 1 305.378 2.460 10 5 DEBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000177212775 402382140 /nfs/dbraw/zinc/38/21/40/402382140.db2.gz QCRUVNYCRQROMZ-HNNXBMFYSA-N 1 1 314.345 2.405 10 5 DEBEMO [NH3+]CC(F)(F)CNc1cc(Br)ccc1[N+](=O)[O-] ZINC000162659143 402427868 /nfs/dbraw/zinc/42/78/68/402427868.db2.gz MSVXWNDYBWJNHO-UHFFFAOYSA-N 1 1 310.098 2.363 10 5 DEBEMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1OC(F)F ZINC000246157334 402513848 /nfs/dbraw/zinc/51/38/48/402513848.db2.gz HEWJIXFRVRJCHV-NSHDSACASA-N 1 1 313.304 2.481 10 5 DEBEMO Cc1cccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000246956951 402551163 /nfs/dbraw/zinc/55/11/63/402551163.db2.gz DGZMIFMEXIOFQP-OLZOCXBDSA-N 1 1 303.362 2.212 10 5 DEBEMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000172515782 402660709 /nfs/dbraw/zinc/66/07/09/402660709.db2.gz CIOQNMNGJOZPHQ-GFCCVEGCSA-N 1 1 309.753 2.168 10 5 DEBEMO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183362760 402760219 /nfs/dbraw/zinc/76/02/19/402760219.db2.gz RDDNWGJKBKMKQY-AWEZNQCLSA-N 1 1 324.402 2.384 10 5 DEBEMO COC(=O)C[C@H]1CSCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183362760 402760221 /nfs/dbraw/zinc/76/02/21/402760221.db2.gz RDDNWGJKBKMKQY-AWEZNQCLSA-N 1 1 324.402 2.384 10 5 DEBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000174975347 402768229 /nfs/dbraw/zinc/76/82/29/402768229.db2.gz AKRPOANAZGTVQB-WDEREUQCSA-N 1 1 309.391 2.355 10 5 DEBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000175033286 402773219 /nfs/dbraw/zinc/77/32/19/402773219.db2.gz CUKMBIUXNLRLMS-CHWSQXEVSA-N 1 1 321.352 2.433 10 5 DEBEMO CC(C)[N@H+]1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000263705749 402793665 /nfs/dbraw/zinc/79/36/65/402793665.db2.gz MHPHZGDGNLBAGY-LBPRGKRZSA-N 1 1 318.377 2.374 10 5 DEBEMO Cc1cccc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000195070865 402829962 /nfs/dbraw/zinc/82/99/62/402829962.db2.gz FGKDYBAXBKBMRU-CYBMUJFWSA-N 1 1 303.362 2.214 10 5 DEBEMO Cc1cccc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000195070865 402829964 /nfs/dbraw/zinc/82/99/64/402829964.db2.gz FGKDYBAXBKBMRU-CYBMUJFWSA-N 1 1 303.362 2.214 10 5 DEBEMO O=[N+]([O-])c1c(F)cccc1N1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000301715558 403669138 /nfs/dbraw/zinc/66/91/38/403669138.db2.gz JUEGCLVMKXQRSM-QWHCGFSZSA-N 1 1 323.368 2.159 10 5 DEBEMO O=[N+]([O-])c1cnc2ccc(NCC[NH+]3Cc4ccccc4C3)nn21 ZINC000611240367 422475520 /nfs/dbraw/zinc/47/55/20/422475520.db2.gz BJMGBMVGKGJCFF-UHFFFAOYSA-N 1 1 324.344 2.065 10 5 DEBEMO O=[N+]([O-])c1ccc(CO)cc1N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000302024313 534881707 /nfs/dbraw/zinc/88/17/07/534881707.db2.gz HAVPVKPZOYLNOO-SOUVJXGZSA-N 1 1 317.389 2.008 10 5 DEBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOCC[C@@H]1C ZINC000367654123 526079100 /nfs/dbraw/zinc/07/91/00/526079100.db2.gz BJMWNFCEGGHNGT-ZDUSSCGKSA-N 1 1 321.377 2.343 10 5 DEBEMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247243210 526085585 /nfs/dbraw/zinc/08/55/85/526085585.db2.gz SNJUYALUKWGNNM-HZSPNIEDSA-N 1 1 307.394 2.043 10 5 DEBEMO CC[N@H+]1CCC[C@@H]1CNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000302058120 529082545 /nfs/dbraw/zinc/08/25/45/529082545.db2.gz ATCSTJHQSLPDKE-GFCCVEGCSA-N 1 1 307.350 2.278 10 5 DEBEMO Cc1cc(N2CCC[N@@H+](CCO)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000747216194 638418850 /nfs/dbraw/zinc/41/88/50/638418850.db2.gz OIAVXYCSJLFEQD-UHFFFAOYSA-N 1 1 313.785 2.061 10 5 DEBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000247117626 685143189 /nfs/dbraw/zinc/14/31/89/685143189.db2.gz PMRYJXJTMIGYLT-WFASDCNBSA-N 1 1 315.377 2.071 10 5 DEBEMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)[NH+]1C ZINC000141956393 186031544 /nfs/dbraw/zinc/03/15/44/186031544.db2.gz LDKDVBXLROBKTQ-NXEZZACHSA-N 1 1 311.769 2.413 10 5 DEBEMO C[C@H]([NH3+])c1nc(C(=O)Nc2cc(F)ccc2[N+](=O)[O-])cs1 ZINC000149106343 186048076 /nfs/dbraw/zinc/04/80/76/186048076.db2.gz FYMNBLPTRBOWFA-LURJTMIESA-N 1 1 310.310 2.462 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000155723395 186106821 /nfs/dbraw/zinc/10/68/21/186106821.db2.gz TXVKWEBCGRILIR-CZUORRHYSA-N 1 1 317.389 2.460 10 5 DEBEMO COc1ccc(OCC[N@@H+](C)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000173545788 198225091 /nfs/dbraw/zinc/22/50/91/198225091.db2.gz RJIRQEHYKCUGMW-ZDUSSCGKSA-N 1 1 310.350 2.093 10 5 DEBEMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000255583935 356337986 /nfs/dbraw/zinc/33/79/86/356337986.db2.gz DWBPSPQLOXQQTD-OICCZTGUSA-N 1 1 317.389 2.015 10 5 DEBEMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000159537140 197360837 /nfs/dbraw/zinc/36/08/37/197360837.db2.gz CQUNVCSPUQRJOQ-HRLNJXSSSA-N 1 1 303.362 2.194 10 5 DEBEMO COCC[N@H+]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000106108937 194188163 /nfs/dbraw/zinc/18/81/63/194188163.db2.gz UCKHHWZYEGTJJL-KGLIPLIRSA-N 1 1 307.394 2.308 10 5 DEBEMO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[N@H+](C2CC2)CC1 ZINC000061605961 184176913 /nfs/dbraw/zinc/17/69/13/184176913.db2.gz SCEZSKKFQLRHFS-RMKNXTFCSA-N 1 1 315.373 2.305 10 5 DEBEMO Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000270307428 208381817 /nfs/dbraw/zinc/38/18/17/208381817.db2.gz RQRCHRDLCLSFGW-QWHCGFSZSA-N 1 1 301.350 2.186 10 5 DEBEMO COc1ccc(C[N@H+]2CCC[C@H]2Cn2ccnc2)cc1[N+](=O)[O-] ZINC000159003837 197318352 /nfs/dbraw/zinc/31/83/52/197318352.db2.gz NAFCLQFRGWAESB-AWEZNQCLSA-N 1 1 316.361 2.465 10 5 DEBEMO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000247336014 145134036 /nfs/dbraw/zinc/13/40/36/145134036.db2.gz JADXZNQAFYUYQL-GXTWGEPZSA-N 1 1 305.378 2.458 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000248591357 145159834 /nfs/dbraw/zinc/15/98/34/145159834.db2.gz HESBYEIXDHSOEN-YOEHRIQHSA-N 1 1 319.405 2.056 10 5 DEBEMO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000251646038 145194879 /nfs/dbraw/zinc/19/48/79/145194879.db2.gz HIYFTTFLPNJFNT-YWPYICTPSA-N 1 1 321.377 2.279 10 5 DEBEMO CO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000251646038 145194880 /nfs/dbraw/zinc/19/48/80/145194880.db2.gz HIYFTTFLPNJFNT-YWPYICTPSA-N 1 1 321.377 2.279 10 5 DEBEMO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000127177678 401723296 /nfs/dbraw/zinc/72/32/96/401723296.db2.gz ZFKUWYPYRAZKFL-AOOOYVTPSA-N 1 1 311.769 2.413 10 5 DEBEMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000127177678 401723298 /nfs/dbraw/zinc/72/32/98/401723298.db2.gz ZFKUWYPYRAZKFL-AOOOYVTPSA-N 1 1 311.769 2.413 10 5 DEBEMO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000127178146 401723379 /nfs/dbraw/zinc/72/33/79/401723379.db2.gz ZFKUWYPYRAZKFL-NXEZZACHSA-N 1 1 311.769 2.413 10 5 DEBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000113232532 401771396 /nfs/dbraw/zinc/77/13/96/401771396.db2.gz BKUVVCRGKRPYHG-ZYHUDNBSSA-N 1 1 307.325 2.043 10 5 DEBEMO CC[C@@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)CC[N@H+]1C[C@H](C)O ZINC000245684860 402479546 /nfs/dbraw/zinc/47/95/46/402479546.db2.gz ALUKFQZCJFCRSG-GOEBONIOSA-N 1 1 321.421 2.180 10 5 DEBEMO Cc1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000247073681 402556290 /nfs/dbraw/zinc/55/62/90/402556290.db2.gz HPHPOBAVRKFEKE-OCCSQVGLSA-N 1 1 303.362 2.212 10 5 DEBEMO C[N@H+]1CCC[C@@H]2CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000246259862 402521495 /nfs/dbraw/zinc/52/14/95/402521495.db2.gz KYHRKISXQIUPCL-DJIMGWMZSA-N 1 1 319.405 2.044 10 5 DEBEMO CCc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC)C2)cc1[N+](=O)[O-] ZINC000174196689 402731212 /nfs/dbraw/zinc/73/12/12/402731212.db2.gz XEDZWIPKIXDDDU-CQSZACIVSA-N 1 1 305.378 2.371 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000183330628 402757163 /nfs/dbraw/zinc/75/71/63/402757163.db2.gz YDWSQANARPXCAD-OAHLLOKOSA-N 1 1 301.350 2.332 10 5 DEBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000174838471 402759651 /nfs/dbraw/zinc/75/96/51/402759651.db2.gz CSPIXOPGUJBUKI-NSHDSACASA-N 1 1 307.379 2.127 10 5 DEBEMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000194496814 402800108 /nfs/dbraw/zinc/80/01/08/402800108.db2.gz APMFUPZOADWPMJ-ZDUSSCGKSA-N 1 1 303.362 2.214 10 5 DEBEMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000194496814 402800110 /nfs/dbraw/zinc/80/01/10/402800110.db2.gz APMFUPZOADWPMJ-ZDUSSCGKSA-N 1 1 303.362 2.214 10 5 DEBEMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000194720058 402812518 /nfs/dbraw/zinc/81/25/18/402812518.db2.gz JVGASKBFHFUKGB-JTQLQIEISA-N 1 1 309.391 2.141 10 5 DEBEMO C[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)C[N@H+]1C ZINC000408068170 405102745 /nfs/dbraw/zinc/10/27/45/405102745.db2.gz HJCXXDRNGSBRBB-MNOVXSKESA-N 1 1 316.361 2.241 10 5 DEBEMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1ccc([N+](=O)[O-])nc1 ZINC000450388697 405872763 /nfs/dbraw/zinc/87/27/63/405872763.db2.gz ISCHSERZIKJWCN-UHFFFAOYSA-N 1 1 315.333 2.273 10 5 DEBEMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[N@H+](C2CC2)CC1 ZINC000087220515 267394445 /nfs/dbraw/zinc/39/44/45/267394445.db2.gz ATBQEDWEXXJRKS-UHFFFAOYSA-N 1 1 317.389 2.224 10 5 DEBEMO COCC[N@H+]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000247808507 523858473 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ZINC000175021274 402771919 /nfs/dbraw/zinc/77/19/19/402771919.db2.gz YUEKGWPLTHANMZ-DGCLKSJQSA-N 1 1 321.352 2.433 10 5 DEBEMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195050179 402828985 /nfs/dbraw/zinc/82/89/85/402828985.db2.gz JWKDUINKRUPQHB-GFCCVEGCSA-N 1 1 307.325 2.044 10 5 DEBEMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195050179 402828988 /nfs/dbraw/zinc/82/89/88/402828988.db2.gz JWKDUINKRUPQHB-GFCCVEGCSA-N 1 1 307.325 2.044 10 5 DEBEMO Cc1ccc([N+](=O)[O-])c(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1 ZINC000268039962 403043895 /nfs/dbraw/zinc/04/38/95/403043895.db2.gz NZXCHTOKPQICJL-BBRMVZONSA-N 1 1 305.378 2.060 10 5 DEBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000435059202 404954418 /nfs/dbraw/zinc/95/44/18/404954418.db2.gz VMLFHBBQQBIBKT-FUIJVIPGSA-N 1 1 315.373 2.210 10 5 DEBEMO CCOc1ccc(C(=O)NCC[N@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000525292163 406482177 /nfs/dbraw/zinc/48/21/77/406482177.db2.gz KMDQMVHEBUMXHV-LBPRGKRZSA-N 1 1 321.377 2.065 10 5 DEBEMO CCOc1cccc(N2CC[N@H+](CCOC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000248446143 276381123 /nfs/dbraw/zinc/38/11/23/276381123.db2.gz CKLNVTSCIZHRMS-ZDUSSCGKSA-N 1 1 323.393 2.150 10 5 DEBEMO CCOc1cccc(N2CC[N@@H+](CCOC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000248446143 276381125 /nfs/dbraw/zinc/38/11/25/276381125.db2.gz CKLNVTSCIZHRMS-ZDUSSCGKSA-N 1 1 323.393 2.150 10 5 DEBEMO Cc1cc(F)cc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC000177028681 625607370 /nfs/dbraw/zinc/60/73/70/625607370.db2.gz DWVSEVRKLLTYCK-ZDUSSCGKSA-N 1 1 321.352 2.353 10 5 DEBEMO Cc1cc(F)cc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC000177028681 625607375 /nfs/dbraw/zinc/60/73/75/625607375.db2.gz DWVSEVRKLLTYCK-ZDUSSCGKSA-N 1 1 321.352 2.353 10 5 DEBEMO C/C(=C/C(=O)N1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000751673147 639104954 /nfs/dbraw/zinc/10/49/54/639104954.db2.gz YWIAATHKLBJCAT-SEYXRHQNSA-N 1 1 315.373 2.305 10 5 DEBEMO Cc1nn(C[NH+]2CCC([C@H](C)O)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121209509 684106603 /nfs/dbraw/zinc/10/66/03/684106603.db2.gz AOGJKQGCAFAPPF-LBPRGKRZSA-N 1 1 318.377 2.303 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000183293104 282241151 /nfs/dbraw/zinc/24/11/51/282241151.db2.gz XCGGCCQLRUPMRH-KRWDZBQOSA-N 1 1 319.405 2.200 10 5 DEBEMO C[C@@H](O)c1cc([N+](=O)[O-])c(N2CCC[N@H+]3CCC[C@@H]3C2)s1 ZINC000167510364 197709803 /nfs/dbraw/zinc/70/98/03/197709803.db2.gz XYMPAUGDJGAVRV-GHMZBOCLSA-N 1 1 311.407 2.384 10 5 DEBEMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[N@H+]2CCC[C@H]2C1 ZINC000172120097 198042822 /nfs/dbraw/zinc/04/28/22/198042822.db2.gz DAXJRCKXOJKHSK-ZDUSSCGKSA-N 1 1 323.780 2.097 10 5 DEBEMO C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1F ZINC000185119601 356201499 /nfs/dbraw/zinc/20/14/99/356201499.db2.gz UJSZCPHMLRVYDF-PWSUYJOCSA-N 1 1 309.341 2.048 10 5 DEBEMO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000619451608 363800403 /nfs/dbraw/zinc/80/04/03/363800403.db2.gz SWIVUHRIHGMMCG-UHFFFAOYSA-N 1 1 319.361 2.047 10 5 DEBEMO C[N@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000042546838 183282614 /nfs/dbraw/zinc/28/26/14/183282614.db2.gz IAILZAAOAGPKED-JTQLQIEISA-N 1 1 314.183 2.151 10 5 DEBEMO CN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000042546838 183282615 /nfs/dbraw/zinc/28/26/15/183282615.db2.gz IAILZAAOAGPKED-JTQLQIEISA-N 1 1 314.183 2.151 10 5 DEBEMO CC[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000106113827 194187555 /nfs/dbraw/zinc/18/75/55/194187555.db2.gz KBIWUCRZFQVLIY-HNNXBMFYSA-N 1 1 307.394 2.137 10 5 DEBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000246356295 145100440 /nfs/dbraw/zinc/10/04/40/145100440.db2.gz WUGFJOURBMQXTQ-OIISXLGYSA-N 1 1 320.389 2.255 10 5 DEBEMO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000247310516 145132546 /nfs/dbraw/zinc/13/25/46/145132546.db2.gz HLDNVUGOHWISAI-GXTWGEPZSA-N 1 1 305.378 2.458 10 5 DEBEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000247403354 145135922 /nfs/dbraw/zinc/13/59/22/145135922.db2.gz RGAIWEHVSUFFRL-TZMCWYRMSA-N 1 1 320.393 2.123 10 5 DEBEMO O=[N+]([O-])c1cnccc1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000358923423 147231410 /nfs/dbraw/zinc/23/14/10/147231410.db2.gz VJGYHCWXXNCSDY-HNNXBMFYSA-N 1 1 312.373 2.488 10 5 DEBEMO O=C1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1 ZINC000119212365 401933992 /nfs/dbraw/zinc/93/39/92/401933992.db2.gz NICGPADSZKXPFL-UHFFFAOYSA-N 1 1 315.329 2.177 10 5 DEBEMO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000124763767 402196000 /nfs/dbraw/zinc/19/60/00/402196000.db2.gz IENJTCNMVSSJJJ-NWDGAFQWSA-N 1 1 321.377 2.158 10 5 DEBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000177012941 402359377 /nfs/dbraw/zinc/35/93/77/402359377.db2.gz WHBCSKTUFZAKAW-AWEZNQCLSA-N 1 1 305.378 2.460 10 5 DEBEMO C[C@H](C(=O)N1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185134225 402327111 /nfs/dbraw/zinc/32/71/11/402327111.db2.gz BJZBNHACZIZMHB-NSHDSACASA-N 1 1 321.352 2.144 10 5 DEBEMO COc1cc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000189774244 402558056 /nfs/dbraw/zinc/55/80/56/402558056.db2.gz OSEAVDQYONIPBS-PHIMTYICSA-N 1 1 321.377 2.076 10 5 DEBEMO COc1cc(C(=O)N2[C@H](C)C[N@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000189774244 402558058 /nfs/dbraw/zinc/55/80/58/402558058.db2.gz OSEAVDQYONIPBS-PHIMTYICSA-N 1 1 321.377 2.076 10 5 DEBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000189901093 402565652 /nfs/dbraw/zinc/56/56/52/402565652.db2.gz YYLDSJVZZRBHGY-KGLIPLIRSA-N 1 1 321.421 2.433 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000191150733 402646018 /nfs/dbraw/zinc/64/60/18/402646018.db2.gz NVVMXRMAARJJKD-VXGBXAGGSA-N 1 1 321.377 2.075 10 5 DEBEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183612540 402781823 /nfs/dbraw/zinc/78/18/23/402781823.db2.gz OEYAUKHVHKLGGL-GFCCVEGCSA-N 1 1 321.381 2.232 10 5 DEBEMO CSc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000194746621 402814518 /nfs/dbraw/zinc/81/45/18/402814518.db2.gz AFBRIYUURIXHNF-NSHDSACASA-N 1 1 309.391 2.141 10 5 DEBEMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278177979 402861379 /nfs/dbraw/zinc/86/13/79/402861379.db2.gz BKJCXRQWIIZLRP-IAQYHMDHSA-N 1 1 315.377 2.392 10 5 DEBEMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCn1cc[nH+]c1C ZINC000273271871 402989326 /nfs/dbraw/zinc/98/93/26/402989326.db2.gz DWTAZZDTGWOZHO-QXMHVHEDSA-N 1 1 314.345 2.319 10 5 DEBEMO CC[N@H+]1CCC[C@H]1CN(C)c1nc2sccn2c1[N+](=O)[O-] ZINC000266983189 403005202 /nfs/dbraw/zinc/00/52/02/403005202.db2.gz AFTAPLCTPSBQGC-JTQLQIEISA-N 1 1 309.395 2.225 10 5 DEBEMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000273444460 403005231 /nfs/dbraw/zinc/00/52/31/403005231.db2.gz NUWABDFWHUGQGY-PABFRNLHSA-N 1 1 303.362 2.209 10 5 DEBEMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1ccncc1[N+](=O)[O-] ZINC000361015912 404880122 /nfs/dbraw/zinc/88/01/22/404880122.db2.gz WMPCPGWNCSVQLR-XJKSGUPXSA-N 1 1 312.373 2.344 10 5 DEBEMO C[C@H]1C[C@H](Nc2ccncc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000361044034 404891625 /nfs/dbraw/zinc/89/16/25/404891625.db2.gz REBPOGNVKPRYPN-ZFWWWQNUSA-N 1 1 312.373 2.487 10 5 DEBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000435059206 404953882 /nfs/dbraw/zinc/95/38/82/404953882.db2.gz VMLFHBBQQBIBKT-SDSFWRRZSA-N 1 1 315.373 2.210 10 5 DEBEMO Cc1c(NC(=O)CC[N@@H+]2CCOCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000367740291 405139776 /nfs/dbraw/zinc/13/97/76/405139776.db2.gz KOFRVZVJQDIQLT-LBPRGKRZSA-N 1 1 321.377 2.343 10 5 DEBEMO CCOc1cccc(N2CC[N@H+](CCOC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000183148825 276381148 /nfs/dbraw/zinc/38/11/48/276381148.db2.gz CKLNVTSCIZHRMS-CYBMUJFWSA-N 1 1 323.393 2.150 10 5 DEBEMO CCOc1cccc(N2CC[N@@H+](CCOC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000183148825 276381150 /nfs/dbraw/zinc/38/11/50/276381150.db2.gz CKLNVTSCIZHRMS-CYBMUJFWSA-N 1 1 323.393 2.150 10 5 DEBEMO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000191286757 279639918 /nfs/dbraw/zinc/63/99/18/279639918.db2.gz RWYRBXZASSEQIO-QWRGUYRKSA-N 1 1 322.361 2.195 10 5 DEBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000248406019 536167192 /nfs/dbraw/zinc/16/71/92/536167192.db2.gz RXYSVHIISWOQGV-RYUDHWBXSA-N 1 1 319.365 2.080 10 5 DEBEMO C/C(=C\C(=O)NCC[N@@H+]1CC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752500248 639190392 /nfs/dbraw/zinc/19/03/92/639190392.db2.gz CGNZZECSHFCKKW-MBFWDRTGSA-N 1 1 317.389 2.456 10 5 DEBEMO C/C(=C\C(=O)NCC1=CC[N@@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752756007 639216049 /nfs/dbraw/zinc/21/60/49/639216049.db2.gz UNICFBBDNCPJTJ-ACCUITESSA-N 1 1 315.373 2.376 10 5 DEBEMO COc1ccccc1C[C@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000120278603 684094419 /nfs/dbraw/zinc/09/44/19/684094419.db2.gz SSRKAQSAOVQVLX-CQSZACIVSA-N 1 1 316.361 2.465 10 5 DEBEMO COc1ccccc1C[C@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000120278603 684094421 /nfs/dbraw/zinc/09/44/21/684094421.db2.gz SSRKAQSAOVQVLX-CQSZACIVSA-N 1 1 316.361 2.465 10 5 DEBEMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000155777687 186112253 /nfs/dbraw/zinc/11/22/53/186112253.db2.gz YVCMWBZVPUEPPU-RISCZKNCSA-N 1 1 321.377 2.062 10 5 DEBEMO COc1ccc(OCC[N@H+]2CCS[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000173663876 198238196 /nfs/dbraw/zinc/23/81/96/198238196.db2.gz BQSBCABXAHSISJ-NSHDSACASA-N 1 1 312.391 2.420 10 5 DEBEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182128676 199390396 /nfs/dbraw/zinc/39/03/96/199390396.db2.gz OISWXYGWVLJYKW-MWLCHTKSSA-N 1 1 311.769 2.334 10 5 DEBEMO O=[N+]([O-])c1cc(C[N@@H+]2CCCSCC2)c2c(c1)COCO2 ZINC000089985803 355551314 /nfs/dbraw/zinc/55/13/14/355551314.db2.gz PTIVGJORXKNTIY-UHFFFAOYSA-N 1 1 310.375 2.400 10 5 DEBEMO O=[N+]([O-])c1cc(C[N@H+]2CCCSCC2)c2c(c1)COCO2 ZINC000089985803 355551320 /nfs/dbraw/zinc/55/13/20/355551320.db2.gz PTIVGJORXKNTIY-UHFFFAOYSA-N 1 1 310.375 2.400 10 5 DEBEMO C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1F ZINC000185119580 356201606 /nfs/dbraw/zinc/20/16/06/356201606.db2.gz UJSZCPHMLRVYDF-JQWIXIFHSA-N 1 1 309.341 2.048 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@@H]1CCCO1 ZINC000187833371 200163037 /nfs/dbraw/zinc/16/30/37/200163037.db2.gz NPULYUIETKOVDV-AWEZNQCLSA-N 1 1 321.377 2.343 10 5 DEBEMO CC(=O)c1ccc(NC[C@H]2CCCC[N@H+]2CCO)c([N+](=O)[O-])c1 ZINC000450613651 242015824 /nfs/dbraw/zinc/01/58/24/242015824.db2.gz LYYRMGCJDXKWGM-CQSZACIVSA-N 1 1 321.377 2.056 10 5 DEBEMO CC(=O)[C@](C)(O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545424 243096853 /nfs/dbraw/zinc/09/68/53/243096853.db2.gz HGQMCZDUTFSAGC-GOEBONIOSA-N 1 1 306.362 2.114 10 5 DEBEMO CC(C)[N@@H+]1C[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000158757703 197299417 /nfs/dbraw/zinc/29/94/17/197299417.db2.gz NMCNTOGVCWFBEB-WFASDCNBSA-N 1 1 320.393 2.123 10 5 DEBEMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155445123 197056017 /nfs/dbraw/zinc/05/60/17/197056017.db2.gz ADEHKWZHVPOJJQ-WFASDCNBSA-N 1 1 305.378 2.362 10 5 DEBEMO COc1cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000155365956 197048294 /nfs/dbraw/zinc/04/82/94/197048294.db2.gz HDEMZTXUZXXCPX-AAEUAGOBSA-N 1 1 321.377 2.062 10 5 DEBEMO COc1cccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000194677430 533418607 /nfs/dbraw/zinc/41/86/07/533418607.db2.gz PMYOKGYQSMNLRA-YPMHNXCESA-N 1 1 321.377 2.062 10 5 DEBEMO O=[N+]([O-])c1ccc(CN2CCC[N@H+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000193822053 145090350 /nfs/dbraw/zinc/09/03/50/145090350.db2.gz JLCVQEKMHODGLC-UHFFFAOYSA-N 1 1 320.349 2.173 10 5 DEBEMO CCOCC[N@H+]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000247810038 145144543 /nfs/dbraw/zinc/14/45/43/145144543.db2.gz UQSUKNKBOARDKK-CQSZACIVSA-N 1 1 307.394 2.137 10 5 DEBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000113231276 401771955 /nfs/dbraw/zinc/77/19/55/401771955.db2.gz JMFCQFPUVPWBGQ-CMPLNLGQSA-N 1 1 307.325 2.043 10 5 DEBEMO Cc1c(NC(=O)N2CC[NH+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000076331480 401790874 /nfs/dbraw/zinc/79/08/74/401790874.db2.gz KBCZZSOPXMMUDJ-UHFFFAOYSA-N 1 1 304.350 2.215 10 5 DEBEMO Cc1c(CC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000123016228 402106059 /nfs/dbraw/zinc/10/60/59/402106059.db2.gz HGAAYSQVFFHTLX-SWLSCSKDSA-N 1 1 317.389 2.141 10 5 DEBEMO C[C@]1(C(N)=O)CCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000185910393 402388220 /nfs/dbraw/zinc/38/82/20/402388220.db2.gz VFMWNBBXFJXEJD-MRXNPFEDSA-N 1 1 321.377 2.094 10 5 DEBEMO CC[C@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)CC[N@H+]1C[C@H](C)O ZINC000245684861 402479367 /nfs/dbraw/zinc/47/93/67/402479367.db2.gz ALUKFQZCJFCRSG-HOCLYGCPSA-N 1 1 321.421 2.180 10 5 DEBEMO Cc1c([C@@H](C)[NH2+]Cc2cc(C(N)=O)co2)cccc1[N+](=O)[O-] ZINC000187710146 402509411 /nfs/dbraw/zinc/50/94/11/402509411.db2.gz OZZZIVZCGRASKH-SNVBAGLBSA-N 1 1 303.318 2.446 10 5 DEBEMO CCc1ccc(C(=O)N2CCC[N@H+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000174149333 402728503 /nfs/dbraw/zinc/72/85/03/402728503.db2.gz UMHFQZPNAPMEBK-UHFFFAOYSA-N 1 1 317.389 2.468 10 5 DEBEMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000174470366 402742779 /nfs/dbraw/zinc/74/27/79/402742779.db2.gz ZXJNKWMADKLZDO-CYBMUJFWSA-N 1 1 305.378 2.317 10 5 DEBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000174838461 402759612 /nfs/dbraw/zinc/75/96/12/402759612.db2.gz CSPIXOPGUJBUKI-LLVKDONJSA-N 1 1 307.379 2.127 10 5 DEBEMO O=[N+]([O-])c1cnn(CC[N@@H+](C[C@@H]2CCCO2)C2CCCC2)c1 ZINC000174876459 402760651 /nfs/dbraw/zinc/76/06/51/402760651.db2.gz PCQZYHUAHUHVCV-HNNXBMFYSA-N 1 1 308.382 2.215 10 5 DEBEMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000194730949 402813217 /nfs/dbraw/zinc/81/32/17/402813217.db2.gz QZRSTKTYJFSEKH-AAEUAGOBSA-N 1 1 323.418 2.286 10 5 DEBEMO COc1cc(CN2CCC[N@H+](C3CC3)CC2)c([N+](=O)[O-])cc1F ZINC000184258092 402830624 /nfs/dbraw/zinc/83/06/24/402830624.db2.gz PMENEKWCMQONQZ-UHFFFAOYSA-N 1 1 323.368 2.413 10 5 DEBEMO CCC[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000301398295 403623722 /nfs/dbraw/zinc/62/37/22/403623722.db2.gz OIRSTGNVISHHQQ-UHFFFAOYSA-N 1 1 321.377 2.304 10 5 DEBEMO C[C@H](CNc1ccncc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000347300670 403656102 /nfs/dbraw/zinc/65/61/02/403656102.db2.gz DONPLWQLIBHKPE-CYBMUJFWSA-N 1 1 300.362 2.344 10 5 DEBEMO CC(C)C[N@H+]1CCC[C@@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000131433077 196167982 /nfs/dbraw/zinc/16/79/82/196167982.db2.gz VIVTZDDPMYYMMJ-CYBMUJFWSA-N 1 1 320.393 2.226 10 5 DEBEMO Cc1c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000247507601 525640741 /nfs/dbraw/zinc/64/07/41/525640741.db2.gz YDCTVRFJTNQLFM-BXUZGUMPSA-N 1 1 305.378 2.362 10 5 DEBEMO Cc1c(CC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000245983902 525689684 /nfs/dbraw/zinc/68/96/84/525689684.db2.gz YZQIKTSXQCAJLS-SWLSCSKDSA-N 1 1 319.405 2.387 10 5 DEBEMO C/C(=C\C(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752119783 639157194 /nfs/dbraw/zinc/15/71/94/639157194.db2.gz FLFYMHXBMSFCMG-UELRPHRMSA-N 1 1 317.389 2.456 10 5 DEBEMO COCCOC[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000174115030 646791220 /nfs/dbraw/zinc/79/12/20/646791220.db2.gz OKYYZJJQYNNLGS-GFCCVEGCSA-N 1 1 312.341 2.219 10 5 DEBEMO Cc1cc(F)cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000133536594 684221085 /nfs/dbraw/zinc/22/10/85/684221085.db2.gz QVAMFKRQDKOODF-WCQYABFASA-N 1 1 321.352 2.351 10 5 DEBEMO CC(C)C[N@H+]1CCO[C@@H](COC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000248262055 685156076 /nfs/dbraw/zinc/15/60/76/685156076.db2.gz WNNDGAJGPMJNLW-OAHLLOKOSA-N 1 1 322.361 2.108 10 5 DEBEMO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CO1 ZINC000703312871 1086493678 /nfs/dbraw/zinc/49/36/78/1086493678.db2.gz UQJBRODPLXFWMF-LBPRGKRZSA-N 1 1 323.349 2.235 10 5 DEBEMO C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000719627425 1089320327 /nfs/dbraw/zinc/32/03/27/1089320327.db2.gz VCOQGXOZJVTHDS-GMSGAONNSA-N 1 1 315.171 2.257 10 5 DEBEMO C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000719627425 1089320342 /nfs/dbraw/zinc/32/03/42/1089320342.db2.gz VCOQGXOZJVTHDS-GMSGAONNSA-N 1 1 315.171 2.257 10 5 DEBEMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000193622438 201089244 /nfs/dbraw/zinc/08/92/44/201089244.db2.gz INULLEMDWGVNCB-GFCCVEGCSA-N 1 1 307.325 2.044 10 5 DEBEMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000193622438 201089248 /nfs/dbraw/zinc/08/92/48/201089248.db2.gz INULLEMDWGVNCB-GFCCVEGCSA-N 1 1 307.325 2.044 10 5 DEBEMO CC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000360396166 133179627 /nfs/dbraw/zinc/17/96/27/133179627.db2.gz RIWCTENIKYHPPS-LLVKDONJSA-N 1 1 322.365 2.067 10 5 DEBEMO CSc1cccc(C(=O)NC[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000188083652 145007138 /nfs/dbraw/zinc/00/71/38/145007138.db2.gz UQAVJTFAZRUAPY-JTQLQIEISA-N 1 1 309.391 2.141 10 5 DEBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247310420 145132877 /nfs/dbraw/zinc/13/28/77/145132877.db2.gz HLAJVAIKQZPGFJ-XJKSGUPXSA-N 1 1 319.405 2.326 10 5 DEBEMO CC(C)[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCOCC1 ZINC000077323385 401810480 /nfs/dbraw/zinc/81/04/80/401810480.db2.gz GCISNPIHSQQPAE-UHFFFAOYSA-N 1 1 321.377 2.083 10 5 DEBEMO Cn1cc([C@@H]2CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000116319219 401849650 /nfs/dbraw/zinc/84/96/50/401849650.db2.gz HXPFLNGGIRVHKW-CYBMUJFWSA-N 1 1 316.361 2.197 10 5 DEBEMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037989899 401919726 /nfs/dbraw/zinc/91/97/26/401919726.db2.gz KFNDYHGIJRQCKQ-LLVKDONJSA-N 1 1 309.753 2.168 10 5 DEBEMO CCOCC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)C[C@@H]1CC ZINC000150768627 401994275 /nfs/dbraw/zinc/99/42/75/401994275.db2.gz CDZLYQFHYGLAJJ-AWEZNQCLSA-N 1 1 322.409 2.235 10 5 DEBEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000119376130 401945961 /nfs/dbraw/zinc/94/59/61/401945961.db2.gz QZNNWWMGIJCQQN-CYBMUJFWSA-N 1 1 320.393 2.027 10 5 DEBEMO CC[N@H+]1CCC[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000052594149 402044478 /nfs/dbraw/zinc/04/44/78/402044478.db2.gz ZRBZUPPYGBZQOD-CQSZACIVSA-N 1 1 320.393 2.221 10 5 DEBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)[C@H](C)C1 ZINC000122620632 402087666 /nfs/dbraw/zinc/08/76/66/402087666.db2.gz MYCDFIISYQGHEB-IAQYHMDHSA-N 1 1 320.393 2.101 10 5 DEBEMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000123540138 402133139 /nfs/dbraw/zinc/13/31/39/402133139.db2.gz ZGKZWJRMRGIWLA-PWSUYJOCSA-N 1 1 309.341 2.289 10 5 DEBEMO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000101564796 402149141 /nfs/dbraw/zinc/14/91/41/402149141.db2.gz VVFTXEVZMDWPDJ-CQSZACIVSA-N 1 1 305.378 2.476 10 5 DEBEMO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000101564796 402149143 /nfs/dbraw/zinc/14/91/43/402149143.db2.gz VVFTXEVZMDWPDJ-CQSZACIVSA-N 1 1 305.378 2.476 10 5 DEBEMO O=[N+]([O-])c1ccc(OCCN2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000177778777 402435487 /nfs/dbraw/zinc/43/54/87/402435487.db2.gz USFJOSCBFSLMIX-OAHLLOKOSA-N 1 1 305.378 2.144 10 5 DEBEMO COc1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c([N+](=O)[O-])cc1F ZINC000184217236 402827726 /nfs/dbraw/zinc/82/77/26/402827726.db2.gz FUNZVAKWZCEVCL-SOSAQKQKSA-N 1 1 324.352 2.335 10 5 DEBEMO COc1cc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c([N+](=O)[O-])cc1F ZINC000184217236 402827728 /nfs/dbraw/zinc/82/77/28/402827728.db2.gz FUNZVAKWZCEVCL-SOSAQKQKSA-N 1 1 324.352 2.335 10 5 DEBEMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000273514263 403011356 /nfs/dbraw/zinc/01/13/56/403011356.db2.gz UUVDLGHLYOWDHR-ACCUITESSA-N 1 1 315.373 2.376 10 5 DEBEMO CC(C)[N@H+]1CC[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000288616905 403759409 /nfs/dbraw/zinc/75/94/09/403759409.db2.gz XLOKOMMBQTXRRQ-SECBINFHSA-N 1 1 307.379 2.494 10 5 DEBEMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCC12CCC2 ZINC000373098380 404528728 /nfs/dbraw/zinc/52/87/28/404528728.db2.gz JCKRHDXROPGUEH-CYBMUJFWSA-N 1 1 306.362 2.353 10 5 DEBEMO C[C@H]1C[C@@H](Nc2ccncc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000361044031 404891796 /nfs/dbraw/zinc/89/17/96/404891796.db2.gz REBPOGNVKPRYPN-DZGCQCFKSA-N 1 1 312.373 2.487 10 5 DEBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1c1c([N+](=O)[O-])nc(C)n1CC ZINC000572754266 406733144 /nfs/dbraw/zinc/73/31/44/406733144.db2.gz SOLBWXQJAXJQJF-QWHCGFSZSA-N 1 1 307.398 2.183 10 5 DEBEMO C[N@H+]1CCC[C@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@@H]21 ZINC000278170442 277085000 /nfs/dbraw/zinc/08/50/00/277085000.db2.gz AYNSYDVLRVVFDF-NHYWBVRUSA-N 1 1 315.377 2.392 10 5 DEBEMO O=[N+]([O-])c1ccccc1OCCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420401646 280376055 /nfs/dbraw/zinc/37/60/55/280376055.db2.gz PMEAXDLHPBNDAQ-LSDHHAIUSA-N 1 1 319.405 2.438 10 5 DEBEMO CC(C)C[N@H+]1CC[C@H](CNc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302060952 528026729 /nfs/dbraw/zinc/02/67/29/528026729.db2.gz SAZOYMHAYKWCJA-CQSZACIVSA-N 1 1 307.394 2.477 10 5 DEBEMO COC(=O)[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000227754126 636614056 /nfs/dbraw/zinc/61/40/56/636614056.db2.gz IVSKWPHBRHQWAG-JOYOIKCWSA-N 1 1 312.753 2.489 10 5 DEBEMO COC(=O)[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000227754126 636614058 /nfs/dbraw/zinc/61/40/58/636614058.db2.gz IVSKWPHBRHQWAG-JOYOIKCWSA-N 1 1 312.753 2.489 10 5 DEBEMO C/C(=C/C(=O)NCC[N@@H+]1CC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752500250 639190945 /nfs/dbraw/zinc/19/09/45/639190945.db2.gz CGNZZECSHFCKKW-UROBUVALSA-N 1 1 317.389 2.456 10 5 DEBEMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000044538506 683904284 /nfs/dbraw/zinc/90/42/84/683904284.db2.gz IFAKVUDKAPAZKE-JTQLQIEISA-N 1 1 311.769 2.320 10 5 DEBEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180876118 199221748 /nfs/dbraw/zinc/22/17/48/199221748.db2.gz VAUQKUFEKJIXOT-GFCCVEGCSA-N 1 1 320.393 2.027 10 5 DEBEMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042428649 183269155 /nfs/dbraw/zinc/26/91/55/183269155.db2.gz DFQXFAXMRWSFEA-KOLCDFICSA-N 1 1 311.769 2.334 10 5 DEBEMO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000043596735 183375543 /nfs/dbraw/zinc/37/55/43/183375543.db2.gz MPLAYZCWZYMUNR-QMMMGPOBSA-N 1 1 300.156 2.473 10 5 DEBEMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000043596735 183375544 /nfs/dbraw/zinc/37/55/44/183375544.db2.gz MPLAYZCWZYMUNR-QMMMGPOBSA-N 1 1 300.156 2.473 10 5 DEBEMO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCOC ZINC000106113930 194187055 /nfs/dbraw/zinc/18/70/55/194187055.db2.gz CSBOZNNMUHDSAF-HNNXBMFYSA-N 1 1 307.394 2.137 10 5 DEBEMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000109819069 194289107 /nfs/dbraw/zinc/28/91/07/194289107.db2.gz UYIPNDJMNOHXGX-KRWDZBQOSA-N 1 1 319.405 2.282 10 5 DEBEMO CC[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000110732705 194355115 /nfs/dbraw/zinc/35/51/15/194355115.db2.gz KCWVWZCOZYMACA-LLVKDONJSA-N 1 1 311.769 2.414 10 5 DEBEMO CC[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000110732705 194355116 /nfs/dbraw/zinc/35/51/16/194355116.db2.gz KCWVWZCOZYMACA-LLVKDONJSA-N 1 1 311.769 2.414 10 5 DEBEMO CC[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000110732729 194355145 /nfs/dbraw/zinc/35/51/45/194355145.db2.gz AMTCPDSDYWJQJZ-NSHDSACASA-N 1 1 311.769 2.414 10 5 DEBEMO CC[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000110732729 194355147 /nfs/dbraw/zinc/35/51/47/194355147.db2.gz AMTCPDSDYWJQJZ-NSHDSACASA-N 1 1 311.769 2.414 10 5 DEBEMO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000158006246 197234727 /nfs/dbraw/zinc/23/47/27/197234727.db2.gz XLWDARDVDMVLPJ-OAGGEKHMSA-N 1 1 306.362 2.363 10 5 DEBEMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000158006246 197234729 /nfs/dbraw/zinc/23/47/29/197234729.db2.gz XLWDARDVDMVLPJ-OAGGEKHMSA-N 1 1 306.362 2.363 10 5 DEBEMO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[N@H+](C2CC2)CC1 ZINC000060976582 184159043 /nfs/dbraw/zinc/15/90/43/184159043.db2.gz QYXGIRBRFIDJQM-UHFFFAOYSA-N 1 1 304.350 2.297 10 5 DEBEMO Cc1[nH+]ccn1CC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000062130449 184207837 /nfs/dbraw/zinc/20/78/37/184207837.db2.gz CPBCZKNZXDPQBN-UHFFFAOYSA-N 1 1 318.333 2.245 10 5 DEBEMO O=[N+]([O-])c1cccc2ncnc(N3CC[N@H+]4CCCC[C@H]4C3)c21 ZINC000408163479 285158692 /nfs/dbraw/zinc/15/86/92/285158692.db2.gz COAZCLZLBBDITO-LBPRGKRZSA-N 1 1 313.361 2.213 10 5 DEBEMO COC(=O)[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000358808126 147209509 /nfs/dbraw/zinc/20/95/09/147209509.db2.gz HQBKUGVXBKPMKM-HNNXBMFYSA-N 1 1 306.362 2.459 10 5 DEBEMO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000127286165 401727406 /nfs/dbraw/zinc/72/74/06/401727406.db2.gz HOCCOTCOFUYYEA-AOOOYVTPSA-N 1 1 311.769 2.413 10 5 DEBEMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000127286165 401727407 /nfs/dbraw/zinc/72/74/07/401727407.db2.gz HOCCOTCOFUYYEA-AOOOYVTPSA-N 1 1 311.769 2.413 10 5 DEBEMO Cc1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000113223825 401770551 /nfs/dbraw/zinc/77/05/51/401770551.db2.gz ASTFOSZLDDLIEH-JSGCOSHPSA-N 1 1 303.362 2.212 10 5 DEBEMO Cn1cc([C@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000116317422 401849404 /nfs/dbraw/zinc/84/94/04/401849404.db2.gz MTNJCWXWTDNOSY-AWEZNQCLSA-N 1 1 300.362 2.360 10 5 DEBEMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C2CC2)CC1 ZINC000117770440 401883948 /nfs/dbraw/zinc/88/39/48/401883948.db2.gz MDKGFLXTCVWQSG-UHFFFAOYSA-N 1 1 323.780 2.097 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000119053360 401921996 /nfs/dbraw/zinc/92/19/96/401921996.db2.gz BHDLAPSVVDXGAT-CJNGLKHVSA-N 1 1 317.389 2.460 10 5 DEBEMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000051536334 402034703 /nfs/dbraw/zinc/03/47/03/402034703.db2.gz KEQBZMZRGGMUDF-AWEZNQCLSA-N 1 1 304.350 2.297 10 5 DEBEMO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000124626410 402188672 /nfs/dbraw/zinc/18/86/72/402188672.db2.gz JADXZNQAFYUYQL-OCCSQVGLSA-N 1 1 305.378 2.458 10 5 DEBEMO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000176869676 402344677 /nfs/dbraw/zinc/34/46/77/402344677.db2.gz MIUDCRQQONBVOC-VXGBXAGGSA-N 1 1 320.393 2.040 10 5 DEBEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000161389168 402385502 /nfs/dbraw/zinc/38/55/02/402385502.db2.gz LNHVVLCEVHDZKY-GWCFXTLKSA-N 1 1 309.341 2.192 10 5 DEBEMO CO[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000189276853 402533092 /nfs/dbraw/zinc/53/30/92/402533092.db2.gz CKBWRQMWZOSRKV-DOMZBBRYSA-N 1 1 321.377 2.280 10 5 DEBEMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c([N+](=O)[O-])c1 ZINC000193975305 402780864 /nfs/dbraw/zinc/78/08/64/402780864.db2.gz WJHFQLPECASWJO-ODOQXGPZSA-N 1 1 321.333 2.096 10 5 DEBEMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c([N+](=O)[O-])c1 ZINC000193975305 402780865 /nfs/dbraw/zinc/78/08/65/402780865.db2.gz WJHFQLPECASWJO-ODOQXGPZSA-N 1 1 321.333 2.096 10 5 DEBEMO COc1cc(N2CC[N@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000268118036 403050613 /nfs/dbraw/zinc/05/06/13/403050613.db2.gz ANTVJRQYPVSIHZ-NSHDSACASA-N 1 1 309.341 2.417 10 5 DEBEMO CCC[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000301270492 403609551 /nfs/dbraw/zinc/60/95/51/403609551.db2.gz JJTGUDXOAHMQNR-UHFFFAOYSA-N 1 1 308.338 2.425 10 5 DEBEMO C[C@@H](CNc1ccncc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000347300675 403655994 /nfs/dbraw/zinc/65/59/94/403655994.db2.gz DONPLWQLIBHKPE-ZDUSSCGKSA-N 1 1 300.362 2.344 10 5 DEBEMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000408068172 405103219 /nfs/dbraw/zinc/10/32/19/405103219.db2.gz HJCXXDRNGSBRBB-WDEREUQCSA-N 1 1 316.361 2.241 10 5 DEBEMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2c2ccc([N+](=O)[O-])nc2)C[C@H](C)O1 ZINC000450457322 405908053 /nfs/dbraw/zinc/90/80/53/405908053.db2.gz RPRITGBZEXAZKL-GUTXKFCHSA-N 1 1 320.393 2.068 10 5 DEBEMO Cc1cc(C(=O)OCC[NH+]2CCSCC2)ccc1[N+](=O)[O-] ZINC000127973037 624917309 /nfs/dbraw/zinc/91/73/09/624917309.db2.gz JIFBIGXVEMBGFE-UHFFFAOYSA-N 1 1 310.375 2.109 10 5 DEBEMO CC[N@H+]1CC[C@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000712536422 792200273 /nfs/dbraw/zinc/20/02/73/792200273.db2.gz SEKDMOVVUIVTDO-VIFPVBQESA-N 1 1 315.171 2.258 10 5 DEBEMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](C2CC2)CC1 ZINC000143880487 186034204 /nfs/dbraw/zinc/03/42/04/186034204.db2.gz OIBFEMZIDSFIJA-UHFFFAOYSA-N 1 1 304.350 2.297 10 5 DEBEMO O=[N+]([O-])c1ccc(N2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000091483122 355599301 /nfs/dbraw/zinc/59/93/01/355599301.db2.gz DJMUTHRVMPMVLF-INIZCTEOSA-N 1 1 305.378 2.286 10 5 DEBEMO C[N@@H+]1CCO[C@H](CSCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000400797792 356725601 /nfs/dbraw/zinc/72/56/01/356725601.db2.gz OJVDXTLJEJMHIY-LBPRGKRZSA-N 1 1 300.355 2.298 10 5 DEBEMO C[N@H+]1CCO[C@H](CSCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000400797792 356725602 /nfs/dbraw/zinc/72/56/02/356725602.db2.gz OJVDXTLJEJMHIY-LBPRGKRZSA-N 1 1 300.355 2.298 10 5 DEBEMO COCC[N@@H+](C)CCNc1ccc2scnc2c1[N+](=O)[O-] ZINC000061379599 184170012 /nfs/dbraw/zinc/17/00/12/184170012.db2.gz JHYKXJFKXBWFAF-UHFFFAOYSA-N 1 1 310.379 2.195 10 5 DEBEMO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000155335886 197045287 /nfs/dbraw/zinc/04/52/87/197045287.db2.gz SSMZUBHSLIOOHH-GXTWGEPZSA-N 1 1 305.378 2.362 10 5 DEBEMO Cc1sc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000115440218 401827504 /nfs/dbraw/zinc/82/75/04/401827504.db2.gz ZDLAHNPYFPDCBM-LLVKDONJSA-N 1 1 311.407 2.379 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000119053224 401922051 /nfs/dbraw/zinc/92/20/51/401922051.db2.gz BHDLAPSVVDXGAT-BBRMVZONSA-N 1 1 317.389 2.460 10 5 DEBEMO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000101563571 402149150 /nfs/dbraw/zinc/14/91/50/402149150.db2.gz ZNIAKVLZYJCKKI-CQSZACIVSA-N 1 1 305.378 2.476 10 5 DEBEMO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000101563571 402149153 /nfs/dbraw/zinc/14/91/53/402149153.db2.gz ZNIAKVLZYJCKKI-CQSZACIVSA-N 1 1 305.378 2.476 10 5 DEBEMO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000124764203 402195869 /nfs/dbraw/zinc/19/58/69/402195869.db2.gz IENJTCNMVSSJJJ-RYUDHWBXSA-N 1 1 321.377 2.158 10 5 DEBEMO CC[N@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000070197253 402258939 /nfs/dbraw/zinc/25/89/39/402258939.db2.gz COCHHCCAKACEKU-JTQLQIEISA-N 1 1 311.769 2.462 10 5 DEBEMO Cc1sc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000108783003 402261325 /nfs/dbraw/zinc/26/13/25/402261325.db2.gz YLDFRWNHZYQRJS-JTQLQIEISA-N 1 1 309.391 2.179 10 5 DEBEMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000184787913 402299717 /nfs/dbraw/zinc/29/97/17/402299717.db2.gz OTYXPKUGYKCZEN-ZBFHGGJFSA-N 1 1 319.405 2.374 10 5 DEBEMO Cc1c(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000177245505 402385428 /nfs/dbraw/zinc/38/54/28/402385428.db2.gz KGJLFOHKAJDABL-CXAGYDPISA-N 1 1 319.405 2.056 10 5 DEBEMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000186053078 402397888 /nfs/dbraw/zinc/39/78/88/402397888.db2.gz QJFKMBNULCVQJL-BYIUCRAPSA-N 1 1 315.373 2.305 10 5 DEBEMO CCc1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000245411861 402457899 /nfs/dbraw/zinc/45/78/99/402457899.db2.gz YVFRLMLMERPYRB-DOMZBBRYSA-N 1 1 317.389 2.466 10 5 DEBEMO Cc1c(CC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000245923968 402497473 /nfs/dbraw/zinc/49/74/73/402497473.db2.gz HGAAYSQVFFHTLX-IUODEOHRSA-N 1 1 317.389 2.141 10 5 DEBEMO CO[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000189276871 402533372 /nfs/dbraw/zinc/53/33/72/402533372.db2.gz CKBWRQMWZOSRKV-WFASDCNBSA-N 1 1 321.377 2.280 10 5 DEBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000191178785 402648681 /nfs/dbraw/zinc/64/86/81/402648681.db2.gz XYULHWPJMNNUIV-RYUDHWBXSA-N 1 1 321.377 2.075 10 5 DEBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000175048628 402774880 /nfs/dbraw/zinc/77/48/80/402774880.db2.gz YTOHVJMFWVALAD-HUUCEWRRSA-N 1 1 317.389 2.223 10 5 DEBEMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[NH+](C2CC2)CC1 ZINC000273496519 403009725 /nfs/dbraw/zinc/00/97/25/403009725.db2.gz UIDRQAPDZCUUEM-UHFFFAOYSA-N 1 1 308.313 2.046 10 5 DEBEMO CC[N@H+]1CCc2c(cccc2Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000301710715 403667493 /nfs/dbraw/zinc/66/74/93/403667493.db2.gz UXOJCHKNOIXZPX-UHFFFAOYSA-N 1 1 314.349 2.089 10 5 DEBEMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000408233207 405147890 /nfs/dbraw/zinc/14/78/90/405147890.db2.gz YUIKFTXPFLBFIL-STQMWFEESA-N 1 1 303.362 2.212 10 5 DEBEMO 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DEBEMO CC[N@H+]1CCC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000178689995 402526928 /nfs/dbraw/zinc/52/69/28/402526928.db2.gz ATEFVBIPSQRERQ-CQSZACIVSA-N 1 1 305.378 2.046 10 5 DEBEMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(C)OCCCO1 ZINC000192253125 402719855 /nfs/dbraw/zinc/71/98/55/402719855.db2.gz ZDIZENLIHQYQBA-UHFFFAOYSA-N 1 1 310.350 2.236 10 5 DEBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000174925743 402763699 /nfs/dbraw/zinc/76/36/99/402763699.db2.gz NIRYVPPPLOEODH-CYBMUJFWSA-N 1 1 315.377 2.212 10 5 DEBEMO COc1cc(CN2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000184208968 402827035 /nfs/dbraw/zinc/82/70/35/402827035.db2.gz VDVVRUZRIWYJEU-GFCCVEGCSA-N 1 1 309.341 2.023 10 5 DEBEMO Cc1ccc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000195043717 402827890 /nfs/dbraw/zinc/82/78/90/402827890.db2.gz WMFCYDPAGACKCF-CQSZACIVSA-N 1 1 303.362 2.214 10 5 DEBEMO Cc1ccc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000195043717 402827891 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CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])[C@H](C)C1 ZINC000124647733 402190115 /nfs/dbraw/zinc/19/01/15/402190115.db2.gz ZLJNTNAGSYQLMO-DGCLKSJQSA-N 1 1 321.381 2.184 10 5 DEBEMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000071189301 402271090 /nfs/dbraw/zinc/27/10/90/402271090.db2.gz ZEYBHBJPLRIUMS-SNVBAGLBSA-N 1 1 311.769 2.272 10 5 DEBEMO Cc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000247462854 402567661 /nfs/dbraw/zinc/56/76/61/402567661.db2.gz QZENDEWUIIYQLM-OCCSQVGLSA-N 1 1 303.362 2.212 10 5 DEBEMO C[C@H]1CC[C@](CO)([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000187987879 402515253 /nfs/dbraw/zinc/51/52/53/402515253.db2.gz NTQPQXZUJPETRD-BBRMVZONSA-N 1 1 308.378 2.457 10 5 DEBEMO Cc1csc([C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000174838383 402759628 /nfs/dbraw/zinc/75/96/28/402759628.db2.gz IJHVVNUQDZLABH-GFCCVEGCSA-N 1 1 321.406 2.436 10 5 DEBEMO CC[N@H+]1CCC[C@@H]1CN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000175347265 402798978 /nfs/dbraw/zinc/79/89/78/402798978.db2.gz JWERSIDQHQMBJQ-OAHLLOKOSA-N 1 1 307.394 2.390 10 5 DEBEMO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000194752032 402814467 /nfs/dbraw/zinc/81/44/67/402814467.db2.gz NUJBYWGPOZJAES-OLZOCXBDSA-N 1 1 305.378 2.458 10 5 DEBEMO CC[N@H+]1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(C)c3)[C@H]2C1 ZINC000292800986 403379002 /nfs/dbraw/zinc/37/90/02/403379002.db2.gz NJWVIFINYIGEDT-JKSUJKDBSA-N 1 1 305.378 2.203 10 5 DEBEMO C[N@H+]1CCC[C@H]2CN(c3cc(CO)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000302027266 403706955 /nfs/dbraw/zinc/70/69/55/403706955.db2.gz IPVXWEBLDOZYHS-UONOGXRCSA-N 1 1 305.378 2.008 10 5 DEBEMO CC[N@@H+](C)[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000302610257 403711982 /nfs/dbraw/zinc/71/19/82/403711982.db2.gz ANZLRSODZAIBNQ-GFCCVEGCSA-N 1 1 318.377 2.010 10 5 DEBEMO Cc1sc(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000408358398 405184960 /nfs/dbraw/zinc/18/49/60/405184960.db2.gz OPDHGMBXTWTKOP-GFCCVEGCSA-N 1 1 311.407 2.377 10 5 DEBEMO Cc1sc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000408358398 405184965 /nfs/dbraw/zinc/18/49/65/405184965.db2.gz OPDHGMBXTWTKOP-GFCCVEGCSA-N 1 1 311.407 2.377 10 5 DEBEMO O=[N+]([O-])c1c(F)cccc1N1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000301715553 280353750 /nfs/dbraw/zinc/35/37/50/280353750.db2.gz JUEGCLVMKXQRSM-CHWSQXEVSA-N 1 1 323.368 2.159 10 5 DEBEMO C[N@H+]1CCO[C@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000285085200 290114645 /nfs/dbraw/zinc/11/46/45/290114645.db2.gz PXBKUUZXHDPAEI-KGLIPLIRSA-N 1 1 311.769 2.158 10 5 DEBEMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149230348 186048208 /nfs/dbraw/zinc/04/82/08/186048208.db2.gz CFDLDQRCRYFJIR-JTQLQIEISA-N 1 1 311.769 2.272 10 5 DEBEMO COC(=O)c1cc(NC[C@@H]2CCC[N@@H+](C)C2)cc(C)c1[N+](=O)[O-] ZINC000091482654 355599029 /nfs/dbraw/zinc/59/90/29/355599029.db2.gz KFAIBRUJCIBARI-LBPRGKRZSA-N 1 1 321.377 2.444 10 5 DEBEMO CC(C)S(=O)(=O)CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271788560 209214868 /nfs/dbraw/zinc/21/48/68/209214868.db2.gz UGDIFVYSMSRCCJ-LLVKDONJSA-N 1 1 300.380 2.069 10 5 DEBEMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000105883034 194155415 /nfs/dbraw/zinc/15/54/15/194155415.db2.gz UIXFMRSXDIMFMN-AWEZNQCLSA-N 1 1 301.350 2.099 10 5 DEBEMO CC(C)[N@H+]1CC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000288616910 220292176 /nfs/dbraw/zinc/29/21/76/220292176.db2.gz XLOKOMMBQTXRRQ-VIFPVBQESA-N 1 1 307.379 2.494 10 5 DEBEMO COc1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000194450853 533394716 /nfs/dbraw/zinc/39/47/16/533394716.db2.gz LFJLUEDZGQLTLD-NWDGAFQWSA-N 1 1 321.377 2.158 10 5 DEBEMO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000247153528 145127373 /nfs/dbraw/zinc/12/73/73/145127373.db2.gz XLWDARDVDMVLPJ-OWCLPIDISA-N 1 1 306.362 2.363 10 5 DEBEMO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000247153528 145127375 /nfs/dbraw/zinc/12/73/75/145127375.db2.gz XLWDARDVDMVLPJ-OWCLPIDISA-N 1 1 306.362 2.363 10 5 DEBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000076479600 401796104 /nfs/dbraw/zinc/79/61/04/401796104.db2.gz BNGYQZKYOJFNEF-OCCSQVGLSA-N 1 1 305.378 2.397 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000121155741 402017422 /nfs/dbraw/zinc/01/74/22/402017422.db2.gz MSNBSZXWPOAFAI-SWLSCSKDSA-N 1 1 305.378 2.315 10 5 DEBEMO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000051536372 402034528 /nfs/dbraw/zinc/03/45/28/402034528.db2.gz LAKQLDUCDCZXPG-AWEZNQCLSA-N 1 1 304.350 2.297 10 5 DEBEMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(=O)NC(C)(C)C ZINC000055899690 402087308 /nfs/dbraw/zinc/08/73/08/402087308.db2.gz SUMFTKFMKQYMRR-UHFFFAOYSA-N 1 1 323.393 2.210 10 5 DEBEMO Cc1sc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000108783004 402261321 /nfs/dbraw/zinc/26/13/21/402261321.db2.gz YLDFRWNHZYQRJS-SNVBAGLBSA-N 1 1 309.391 2.179 10 5 DEBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000176966898 402355289 /nfs/dbraw/zinc/35/52/89/402355289.db2.gz UMMVHJLAFJTBDV-CYBMUJFWSA-N 1 1 321.377 2.160 10 5 DEBEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000177028519 402360939 /nfs/dbraw/zinc/36/09/39/402360939.db2.gz JKTBAMBUPJLGQY-RISCZKNCSA-N 1 1 306.366 2.445 10 5 DEBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000177150234 402375758 /nfs/dbraw/zinc/37/57/58/402375758.db2.gz YINQPVOEALTKFT-LBPRGKRZSA-N 1 1 320.374 2.466 10 5 DEBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@@H]1CCCO1 ZINC000170687741 402514523 /nfs/dbraw/zinc/51/45/23/402514523.db2.gz PKOUNGLQCIQYBH-AWEZNQCLSA-N 1 1 321.377 2.343 10 5 DEBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000246790124 402545357 /nfs/dbraw/zinc/54/53/57/402545357.db2.gz BKUVVCRGKRPYHG-JQWIXIFHSA-N 1 1 307.325 2.043 10 5 DEBEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000247339791 402564739 /nfs/dbraw/zinc/56/47/39/402564739.db2.gz NMCNTOGVCWFBEB-IUODEOHRSA-N 1 1 320.393 2.123 10 5 DEBEMO Cc1c(CC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000178637142 402520144 /nfs/dbraw/zinc/52/01/44/402520144.db2.gz WCDLJWUKMNXHIV-HNNXBMFYSA-N 1 1 317.389 2.142 10 5 DEBEMO Cc1c(C[N@H+]2CCC[C@@H](n3cncn3)C2)cccc1[N+](=O)[O-] ZINC000171705842 402612421 /nfs/dbraw/zinc/61/24/21/402612421.db2.gz JFMSNBFASLKOKZ-CQSZACIVSA-N 1 1 301.350 2.332 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000183389714 402762493 /nfs/dbraw/zinc/76/24/93/402762493.db2.gz HESBYEIXDHSOEN-RHSMWYFYSA-N 1 1 319.405 2.056 10 5 DEBEMO CSc1ccc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000195310113 402841795 /nfs/dbraw/zinc/84/17/95/402841795.db2.gz GKYSTLZUFSQAFM-GFCCVEGCSA-N 1 1 321.402 2.237 10 5 DEBEMO O=[N+]([O-])c1ccc(N2CCC[N@H+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000057857769 275035992 /nfs/dbraw/zinc/03/59/92/275035992.db2.gz DRKFLKGFHSYOOI-UHFFFAOYSA-N 1 1 306.322 2.178 10 5 DEBEMO Cc1ccc(OCC[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000157475031 525417610 /nfs/dbraw/zinc/41/76/10/525417610.db2.gz DMZXXMWZUHGHMJ-UHFFFAOYSA-N 1 1 304.350 2.111 10 5 DEBEMO C/C(=C\C(=O)N[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752041158 639149974 /nfs/dbraw/zinc/14/99/74/639149974.db2.gz MIDBOGDAAIBGHX-WONIAPNHSA-N 1 1 303.362 2.209 10 5 DEBEMO COC1(OC)CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000711442597 1087113676 /nfs/dbraw/zinc/11/36/76/1087113676.db2.gz YIHOCRYGKIRYRL-LBPRGKRZSA-N 1 1 300.742 2.489 10 5 DEBEMO C[C@H]1C[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1C ZINC000194001511 201160552 /nfs/dbraw/zinc/16/05/52/201160552.db2.gz HOKPTKQYZBUSTC-AAEUAGOBSA-N 1 1 322.365 2.418 10 5 DEBEMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000194496796 201239156 /nfs/dbraw/zinc/23/91/56/201239156.db2.gz APMFUPZOADWPMJ-CYBMUJFWSA-N 1 1 303.362 2.214 10 5 DEBEMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000194496796 201239159 /nfs/dbraw/zinc/23/91/59/201239159.db2.gz APMFUPZOADWPMJ-CYBMUJFWSA-N 1 1 303.362 2.214 10 5 DEBEMO O=[N+]([O-])c1ccc(Cl)cc1Cn1ncnc1C[NH2+]C1CC1 ZINC000093634080 193277226 /nfs/dbraw/zinc/27/72/26/193277226.db2.gz VGSUDPRCKBFCEX-UHFFFAOYSA-N 1 1 307.741 2.140 10 5 DEBEMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1c1ncnc(Cl)c1[N+](=O)[O-] ZINC000094442785 193369979 /nfs/dbraw/zinc/36/99/79/193369979.db2.gz CDCPMTZGIKEFIF-VHSXEESVSA-N 1 1 311.773 2.101 10 5 DEBEMO CCC[NH+]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000021009225 182259291 /nfs/dbraw/zinc/25/92/91/182259291.db2.gz ONBITSCWPSDDNZ-UHFFFAOYSA-N 1 1 311.769 2.416 10 5 DEBEMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105884592 194158192 /nfs/dbraw/zinc/15/81/92/194158192.db2.gz CSYYDRXUZSEQMI-GFCCVEGCSA-N 1 1 319.340 2.238 10 5 DEBEMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105884592 194158194 /nfs/dbraw/zinc/15/81/94/194158194.db2.gz CSYYDRXUZSEQMI-GFCCVEGCSA-N 1 1 319.340 2.238 10 5 DEBEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000158757555 197299145 /nfs/dbraw/zinc/29/91/45/197299145.db2.gz NMCNTOGVCWFBEB-DOMZBBRYSA-N 1 1 320.393 2.123 10 5 DEBEMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000158305964 197260435 /nfs/dbraw/zinc/26/04/35/197260435.db2.gz UOCKHQKWSXXCJP-ZACQAIPSSA-N 1 1 320.389 2.406 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000121155826 195300311 /nfs/dbraw/zinc/30/03/11/195300311.db2.gz MSNBSZXWPOAFAI-WFASDCNBSA-N 1 1 305.378 2.315 10 5 DEBEMO CSc1ccc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)c1 ZINC000127164557 401722865 /nfs/dbraw/zinc/72/28/65/401722865.db2.gz XMHGKJJALGBEJK-GHMZBOCLSA-N 1 1 323.418 2.481 10 5 DEBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CCOc1ccccc1[N+](=O)[O-] ZINC000113268536 401773700 /nfs/dbraw/zinc/77/37/00/401773700.db2.gz RMRDEYIYQIDUHU-UONOGXRCSA-N 1 1 305.378 2.142 10 5 DEBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000076479609 401796119 /nfs/dbraw/zinc/79/61/19/401796119.db2.gz BNGYQZKYOJFNEF-TZMCWYRMSA-N 1 1 305.378 2.397 10 5 DEBEMO COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000124663610 402190888 /nfs/dbraw/zinc/19/08/88/402190888.db2.gz DGQNCTACVCSXQF-RYUDHWBXSA-N 1 1 321.377 2.158 10 5 DEBEMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176227385 402292377 /nfs/dbraw/zinc/29/23/77/402292377.db2.gz UTPRMZAEHUCTIP-UKRRQHHQSA-N 1 1 316.361 2.253 10 5 DEBEMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176227385 402292380 /nfs/dbraw/zinc/29/23/80/402292380.db2.gz UTPRMZAEHUCTIP-UKRRQHHQSA-N 1 1 316.361 2.253 10 5 DEBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H](CO)CC(C)C ZINC000185313402 402342671 /nfs/dbraw/zinc/34/26/71/402342671.db2.gz QPJQUWKYQRHQSU-CQSZACIVSA-N 1 1 323.393 2.181 10 5 DEBEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000160455715 402346403 /nfs/dbraw/zinc/34/64/03/402346403.db2.gz XMSJNFPVGSANPH-CYBMUJFWSA-N 1 1 305.378 2.445 10 5 DEBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000176975653 402355882 /nfs/dbraw/zinc/35/58/82/402355882.db2.gz NMXWAXHDJBJRNP-GFCCVEGCSA-N 1 1 309.341 2.290 10 5 DEBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000177137572 402373854 /nfs/dbraw/zinc/37/38/54/402373854.db2.gz SRXIDTFODXXYOB-NSHDSACASA-N 1 1 320.374 2.466 10 5 DEBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000177372926 402395463 /nfs/dbraw/zinc/39/54/63/402395463.db2.gz UEZGIWXXDJSLLZ-CQSZACIVSA-N 1 1 320.393 2.221 10 5 DEBEMO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)c([N+](=O)[O-])cc1OC ZINC000249176754 402622905 /nfs/dbraw/zinc/62/29/05/402622905.db2.gz MGPKRJXFDAQQQG-BDJLRTHQSA-N 1 1 324.377 2.469 10 5 DEBEMO COc1cc(C[N@H+]2CC[C@@H](C)[C@H](OC)C2)c([N+](=O)[O-])cc1OC ZINC000249176754 402622907 /nfs/dbraw/zinc/62/29/07/402622907.db2.gz MGPKRJXFDAQQQG-BDJLRTHQSA-N 1 1 324.377 2.469 10 5 DEBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000191178807 402648792 /nfs/dbraw/zinc/64/87/92/402648792.db2.gz XYULHWPJMNNUIV-VXGBXAGGSA-N 1 1 321.377 2.075 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2cnccn2)CC1 ZINC000183272318 402752505 /nfs/dbraw/zinc/75/25/05/402752505.db2.gz OCPFBYSRKKWUHP-UHFFFAOYSA-N 1 1 313.361 2.015 10 5 DEBEMO Cc1ccc(N2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000301711415 403667750 /nfs/dbraw/zinc/66/77/50/403667750.db2.gz IBVQJDPBINSXFK-GJZGRUSLSA-N 1 1 319.405 2.329 10 5 DEBEMO Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1 ZINC000268039968 281014770 /nfs/dbraw/zinc/01/47/70/281014770.db2.gz NZXCHTOKPQICJL-XJKSGUPXSA-N 1 1 305.378 2.060 10 5 DEBEMO COc1ccc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247074330 523728575 /nfs/dbraw/zinc/72/85/75/523728575.db2.gz IZGKVKXMWCHTRR-DGCLKSJQSA-N 1 1 321.377 2.062 10 5 DEBEMO COC(=O)[C@@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000079193729 185161197 /nfs/dbraw/zinc/16/11/97/185161197.db2.gz VFOVQPQTZPZNGG-HNNXBMFYSA-N 1 1 322.361 2.391 10 5 DEBEMO COC(=O)[C@@H]1CCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000079193729 185161198 /nfs/dbraw/zinc/16/11/98/185161198.db2.gz VFOVQPQTZPZNGG-HNNXBMFYSA-N 1 1 322.361 2.391 10 5 DEBEMO CCOCC[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000183332750 356168315 /nfs/dbraw/zinc/16/83/15/356168315.db2.gz XXUKLYBNDNRNJX-HNNXBMFYSA-N 1 1 321.421 2.446 10 5 DEBEMO CN(CC[N@@H+](C)C1CC1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000186753987 200004054 /nfs/dbraw/zinc/00/40/54/200004054.db2.gz NIRZDCBNXJUQPS-UHFFFAOYSA-N 1 1 316.361 2.242 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000264949839 204296833 /nfs/dbraw/zinc/29/68/33/204296833.db2.gz JUVKVXMAIUWONF-UHFFFAOYSA-N 1 1 303.362 2.214 10 5 DEBEMO CC[N@H+]1CCC[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000040690994 183118647 /nfs/dbraw/zinc/11/86/47/183118647.db2.gz HYADIXPVCSHRNV-NSHDSACASA-N 1 1 311.769 2.462 10 5 DEBEMO CC[N@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040690996 183118700 /nfs/dbraw/zinc/11/87/00/183118700.db2.gz KHUMDYFRBNQGJT-JTQLQIEISA-N 1 1 311.769 2.462 10 5 DEBEMO C[N@H+]1CCC[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000042371397 183261043 /nfs/dbraw/zinc/26/10/43/183261043.db2.gz SPYARNFNMIPOTC-VIFPVBQESA-N 1 1 315.171 2.258 10 5 DEBEMO O=[N+]([O-])c1ccccc1C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000105798702 194129922 /nfs/dbraw/zinc/12/99/22/194129922.db2.gz LNXBPRZVTQDAPK-UHFFFAOYSA-N 1 1 313.361 2.097 10 5 DEBEMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000105884129 194156869 /nfs/dbraw/zinc/15/68/69/194156869.db2.gz PIFUCXBLVYZELQ-HNNXBMFYSA-N 1 1 315.377 2.141 10 5 DEBEMO CC[C@@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000120929165 195266759 /nfs/dbraw/zinc/26/67/59/195266759.db2.gz CCDDTLSPXQKJKM-MRXNPFEDSA-N 1 1 321.421 2.446 10 5 DEBEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000247389779 145135918 /nfs/dbraw/zinc/13/59/18/145135918.db2.gz QHAQDQJBXTZXOB-IUODEOHRSA-N 1 1 320.393 2.123 10 5 DEBEMO CSc1ccc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)c1 ZINC000127164154 401722880 /nfs/dbraw/zinc/72/28/80/401722880.db2.gz XMHGKJJALGBEJK-PHIMTYICSA-N 1 1 323.418 2.481 10 5 DEBEMO CSc1ccc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@H+](C)C[C@@H]2C)c1 ZINC000127164154 401722882 /nfs/dbraw/zinc/72/28/82/401722882.db2.gz XMHGKJJALGBEJK-PHIMTYICSA-N 1 1 323.418 2.481 10 5 DEBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000113267084 401773912 /nfs/dbraw/zinc/77/39/12/401773912.db2.gz VGVRVTHVPZLIGO-UKRRQHHQSA-N 1 1 305.378 2.142 10 5 DEBEMO C[C@@H]1C[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000124829325 402199518 /nfs/dbraw/zinc/19/95/18/402199518.db2.gz ATXSCKTXQPEZSZ-IUODEOHRSA-N 1 1 305.378 2.078 10 5 DEBEMO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCCC[C@H]2C)c1 ZINC000067548565 402162707 /nfs/dbraw/zinc/16/27/07/402162707.db2.gz SVBBBZJQALDXRM-GFCCVEGCSA-N 1 1 321.377 2.208 10 5 DEBEMO C[N@H+]1CCC[C@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000108333353 402250248 /nfs/dbraw/zinc/25/02/48/402250248.db2.gz QBEUXLCDHHIMTQ-LLVKDONJSA-N 1 1 316.361 2.148 10 5 DEBEMO O=[N+]([O-])c1ccc2oc(CN3CC[N@H+]4CCC[C@@H]4C3)nc2c1 ZINC000177059552 402365371 /nfs/dbraw/zinc/36/53/71/402365371.db2.gz ZFJFPQCAYSBELG-GFCCVEGCSA-N 1 1 302.334 2.016 10 5 DEBEMO C[C@H]1CC[C@@](CO)([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000187983066 402514442 /nfs/dbraw/zinc/51/44/42/402514442.db2.gz LFAGCWIEMLJHLY-XJKSGUPXSA-N 1 1 308.378 2.457 10 5 DEBEMO Cc1sc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247421880 402566649 /nfs/dbraw/zinc/56/66/49/402566649.db2.gz OBBVLSYXXVWEIA-KOLCDFICSA-N 1 1 311.407 2.377 10 5 DEBEMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000249076122 402619393 /nfs/dbraw/zinc/61/93/93/402619393.db2.gz RWYRBXZASSEQIO-QHBPRCKVSA-N 1 1 322.361 2.195 10 5 DEBEMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000249076122 402619394 /nfs/dbraw/zinc/61/93/94/402619394.db2.gz RWYRBXZASSEQIO-QHBPRCKVSA-N 1 1 322.361 2.195 10 5 DEBEMO CC[N@H+]1CC[C@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000173214590 402688229 /nfs/dbraw/zinc/68/82/29/402688229.db2.gz LIVRNYWKMMMLMQ-CJNGLKHVSA-N 1 1 319.405 2.326 10 5 DEBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173941262 402720648 /nfs/dbraw/zinc/72/06/48/402720648.db2.gz QWDXJCOUNIOPEL-BBRMVZONSA-N 1 1 305.378 2.062 10 5 DEBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000174970193 402768199 /nfs/dbraw/zinc/76/81/99/402768199.db2.gz BJYLLZKYDPQCFV-GDBMZVCRSA-N 1 1 317.389 2.223 10 5 DEBEMO CC1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000376018669 404789350 /nfs/dbraw/zinc/78/93/50/404789350.db2.gz KDOPNOCICPGRPJ-MRXNPFEDSA-N 1 1 306.362 2.365 10 5 DEBEMO CC1(C)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000376018669 404789351 /nfs/dbraw/zinc/78/93/51/404789351.db2.gz KDOPNOCICPGRPJ-MRXNPFEDSA-N 1 1 306.362 2.365 10 5 DEBEMO Cc1c(NC(=O)CC[N@@H+]2CCOCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000367740290 405139700 /nfs/dbraw/zinc/13/97/00/405139700.db2.gz KOFRVZVJQDIQLT-GFCCVEGCSA-N 1 1 321.377 2.343 10 5 DEBEMO Cc1c(CC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000129752047 196072758 /nfs/dbraw/zinc/07/27/58/196072758.db2.gz HTUNBQRWIVSJGS-WFASDCNBSA-N 1 1 319.405 2.291 10 5 DEBEMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000247516999 525447718 /nfs/dbraw/zinc/44/77/18/525447718.db2.gz YVCMWBZVPUEPPU-BXUZGUMPSA-N 1 1 321.377 2.062 10 5 DEBEMO COCC[N@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000255620367 536872994 /nfs/dbraw/zinc/87/29/94/536872994.db2.gz FOZOEXOUWLFVTK-ZQMJAJRESA-N 1 1 319.405 2.261 10 5 DEBEMO C[C@H]1C[C@@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000173216080 198196852 /nfs/dbraw/zinc/19/68/52/198196852.db2.gz KDRAGWUTIBYYMK-JSGCOSHPSA-N 1 1 305.378 2.078 10 5 DEBEMO CCc1ccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000174199621 198304281 /nfs/dbraw/zinc/30/42/81/198304281.db2.gz PNVURDQNMUKMAB-AWEZNQCLSA-N 1 1 303.362 2.077 10 5 DEBEMO NC(=O)c1coc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000193314369 356224557 /nfs/dbraw/zinc/22/45/57/356224557.db2.gz LIRBYSGQPZFUMO-HNNXBMFYSA-N 1 1 315.329 2.454 10 5 DEBEMO C[N@H+]1CCC[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000042371398 183260742 /nfs/dbraw/zinc/26/07/42/183260742.db2.gz SPYARNFNMIPOTC-SECBINFHSA-N 1 1 315.171 2.258 10 5 DEBEMO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000159768479 197362436 /nfs/dbraw/zinc/36/24/36/197362436.db2.gz VULAKPJYWAGISA-SKDRFNHKSA-N 1 1 311.769 2.318 10 5 DEBEMO CCOc1ccc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000155508913 197061671 /nfs/dbraw/zinc/06/16/71/197061671.db2.gz YLJBNUOYLHDKQV-TXEJJXNPSA-N 1 1 321.377 2.158 10 5 DEBEMO CCOc1ccc(C(=O)N2[C@H](C)C[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000155508913 197061672 /nfs/dbraw/zinc/06/16/72/197061672.db2.gz YLJBNUOYLHDKQV-TXEJJXNPSA-N 1 1 321.377 2.158 10 5 DEBEMO Cc1cc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000193724620 145089659 /nfs/dbraw/zinc/08/96/59/145089659.db2.gz JCFCTQLHTHDSGO-CYBMUJFWSA-N 1 1 304.350 2.215 10 5 DEBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000252443891 145198950 /nfs/dbraw/zinc/19/89/50/145198950.db2.gz QITVYANZKZDNJV-RISCZKNCSA-N 1 1 304.350 2.295 10 5 DEBEMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255397005 145204908 /nfs/dbraw/zinc/20/49/08/145204908.db2.gz CQUNVCSPUQRJOQ-LJXYTEIVSA-N 1 1 303.362 2.194 10 5 DEBEMO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000112982474 401763476 /nfs/dbraw/zinc/76/34/76/401763476.db2.gz ZILGXVDQOWWETH-MRXNPFEDSA-N 1 1 319.405 2.470 10 5 DEBEMO CC(C)[N@@H+](C)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000101953104 402158948 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Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113222527 401770830 /nfs/dbraw/zinc/77/08/30/401770830.db2.gz XQAZQPHMQISOKS-JSGCOSHPSA-N 1 1 303.362 2.212 10 5 DEBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000076479648 401795774 /nfs/dbraw/zinc/79/57/74/401795774.db2.gz OOILRQSSAGRLGB-IUODEOHRSA-N 1 1 305.378 2.397 10 5 DEBEMO CC[N@H+]1CC[C@H](N(C)C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000076479802 401796098 /nfs/dbraw/zinc/79/60/98/401796098.db2.gz FZQSQWDQMZHZQZ-HIFRSBDPSA-N 1 1 319.405 2.326 10 5 DEBEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000119439885 401950139 /nfs/dbraw/zinc/95/01/39/401950139.db2.gz MHTFFTXSENNNBB-GFCCVEGCSA-N 1 1 320.393 2.027 10 5 DEBEMO CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000052551310 402043729 /nfs/dbraw/zinc/04/37/29/402043729.db2.gz LBGSYEIDGIWMOP-GXTWGEPZSA-N 1 1 320.393 2.439 10 5 DEBEMO CC[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000122649255 402088967 /nfs/dbraw/zinc/08/89/67/402088967.db2.gz HLAJVAIKQZPGFJ-CJNGLKHVSA-N 1 1 319.405 2.326 10 5 DEBEMO COc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000124051632 402161035 /nfs/dbraw/zinc/16/10/35/402161035.db2.gz RZMLCRVSQSGBBN-DGCLKSJQSA-N 1 1 321.377 2.158 10 5 DEBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000176985110 402356871 /nfs/dbraw/zinc/35/68/71/402356871.db2.gz SZTGKSDVVZMOFE-AWEZNQCLSA-N 1 1 305.378 2.460 10 5 DEBEMO O=[N+]([O-])c1ccc2oc(CN3CC[N@H+]4CCCC[C@@H]4C3)nc2c1 ZINC000177120468 402371610 /nfs/dbraw/zinc/37/16/10/402371610.db2.gz BQVXCJFVXBISAY-CYBMUJFWSA-N 1 1 316.361 2.406 10 5 DEBEMO CC[N@H+]1CCC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000170639873 402509783 /nfs/dbraw/zinc/50/97/83/402509783.db2.gz PZUZGYOEESFWFW-GFCCVEGCSA-N 1 1 318.377 2.376 10 5 DEBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000247073679 402556326 /nfs/dbraw/zinc/55/63/26/402556326.db2.gz YUEKGWPLTHANMZ-YPMHNXCESA-N 1 1 321.352 2.433 10 5 DEBEMO CC[N@H+]1CC[C@H](N(C)C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247282772 402562687 /nfs/dbraw/zinc/56/26/87/402562687.db2.gz FZQSQWDQMZHZQZ-ZFWWWQNUSA-N 1 1 319.405 2.326 10 5 DEBEMO Cc1c(C[N@H+]2CCC[C@H](n3cncn3)C2)cccc1[N+](=O)[O-] ZINC000171705838 402612610 /nfs/dbraw/zinc/61/26/10/402612610.db2.gz JFMSNBFASLKOKZ-AWEZNQCLSA-N 1 1 301.350 2.332 10 5 DEBEMO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000132052366 196222015 /nfs/dbraw/zinc/22/20/15/196222015.db2.gz DVCWRIPOLWQBOG-ZYHUDNBSSA-N 1 1 309.341 2.289 10 5 DEBEMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](C)CC1 ZINC000184794912 275399767 /nfs/dbraw/zinc/39/97/67/275399767.db2.gz PSYRBKSMVASEIR-OUKQBFOZSA-N 1 1 303.362 2.162 10 5 DEBEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193922899 276183250 /nfs/dbraw/zinc/18/32/50/276183250.db2.gz RCVDNQRBLJHRRF-AWEZNQCLSA-N 1 1 322.365 2.419 10 5 DEBEMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000245515214 281020646 /nfs/dbraw/zinc/02/06/46/281020646.db2.gz DGBNVYJTKYFAPJ-GDBMZVCRSA-N 1 1 319.405 2.371 10 5 DEBEMO CCOC(=O)[C@@](C)([NH3+])CCOc1cc(Cl)ccc1[N+](=O)[O-] ZINC000051625747 517686146 /nfs/dbraw/zinc/68/61/46/517686146.db2.gz CBRYORBYECXEHI-ZDUSSCGKSA-N 1 1 316.741 2.298 10 5 DEBEMO COc1cc(C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000248851311 522405058 /nfs/dbraw/zinc/40/50/58/522405058.db2.gz UCGZDAQXLPYQRL-PEGIJTEDSA-N 1 1 312.341 2.476 10 5 DEBEMO COc1cc(C[N@@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000248851311 522405077 /nfs/dbraw/zinc/40/50/77/522405077.db2.gz UCGZDAQXLPYQRL-PEGIJTEDSA-N 1 1 312.341 2.476 10 5 DEBEMO CCC[N@H+]1CCC[C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000360514166 534900002 /nfs/dbraw/zinc/90/00/02/534900002.db2.gz GGOBXVWYYGOUJR-HNNXBMFYSA-N 1 1 305.378 2.394 10 5 DEBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000247022136 536168053 /nfs/dbraw/zinc/16/80/53/536168053.db2.gz STEXFXVOZOUWNI-ZFWWWQNUSA-N 1 1 303.362 2.294 10 5 DEBEMO C[C@H]1[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000719622557 1089330374 /nfs/dbraw/zinc/33/03/74/1089330374.db2.gz GQJOAUIXFJVMPC-CBAPKCEASA-N 1 1 315.171 2.257 10 5 DEBEMO Cc1c(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000174744650 198379469 /nfs/dbraw/zinc/37/94/69/198379469.db2.gz YABDSHIAPIPSLR-GFCCVEGCSA-N 1 1 304.268 2.402 10 5 DEBEMO Cc1c(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000174744650 198379471 /nfs/dbraw/zinc/37/94/71/198379471.db2.gz YABDSHIAPIPSLR-GFCCVEGCSA-N 1 1 304.268 2.402 10 5 DEBEMO CC[N@H+]1CC[C@H](N(C)c2nc3sccn3c2[N+](=O)[O-])[C@H](C)C1 ZINC000078332703 355254346 /nfs/dbraw/zinc/25/43/46/355254346.db2.gz DQHDGSVSSYOURK-MNOVXSKESA-N 1 1 323.422 2.471 10 5 DEBEMO COC(=O)c1cc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000092672443 355645818 /nfs/dbraw/zinc/64/58/18/355645818.db2.gz OVCMXKRVNXVVOF-JQWIXIFHSA-N 1 1 319.361 2.419 10 5 DEBEMO C[C@@H]1CC[C@](CO)([N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000187949765 200181598 /nfs/dbraw/zinc/18/15/98/200181598.db2.gz SRWQGXNXSCOFTO-KCXAZCMYSA-N 1 1 308.378 2.111 10 5 DEBEMO C[C@H](O)CNc1[nH+]cnc2[nH]c(-c3cccc([N+](=O)[O-])c3)cc21 ZINC000041472482 183193071 /nfs/dbraw/zinc/19/30/71/183193071.db2.gz QWIDNXDPKWSZIL-VIFPVBQESA-N 1 1 313.317 2.326 10 5 DEBEMO CC[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000106116408 194186812 /nfs/dbraw/zinc/18/68/12/194186812.db2.gz PGFYHROIUPFRNS-OAHLLOKOSA-N 1 1 307.394 2.137 10 5 DEBEMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C12CCCC2 ZINC000174872890 132511097 /nfs/dbraw/zinc/51/10/97/132511097.db2.gz MYZKFGVEZKXSHM-HUUCEWRRSA-N 1 1 322.409 2.461 10 5 DEBEMO Cc1c(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000246415698 145102109 /nfs/dbraw/zinc/10/21/09/145102109.db2.gz KGJLFOHKAJDABL-GUYCJALGSA-N 1 1 319.405 2.056 10 5 DEBEMO Cn1cc([C@H]2CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000116319222 401849087 /nfs/dbraw/zinc/84/90/87/401849087.db2.gz HXPFLNGGIRVHKW-ZDUSSCGKSA-N 1 1 316.361 2.197 10 5 DEBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000176975670 402355984 /nfs/dbraw/zinc/35/59/84/402355984.db2.gz NMXWAXHDJBJRNP-LBPRGKRZSA-N 1 1 309.341 2.290 10 5 DEBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000162073829 402408538 /nfs/dbraw/zinc/40/85/38/402408538.db2.gz LBFIHIPWLHMMOP-CYBMUJFWSA-N 1 1 320.393 2.006 10 5 DEBEMO Cn1cc[nH+]c1CC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000162575449 402425086 /nfs/dbraw/zinc/42/50/86/402425086.db2.gz ZHNSHNZSDLWWII-UHFFFAOYSA-N 1 1 318.333 2.016 10 5 DEBEMO C[C@H]1CC[C@](CO)([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000187983120 402514434 /nfs/dbraw/zinc/51/44/34/402514434.db2.gz LFAGCWIEMLJHLY-BBRMVZONSA-N 1 1 308.378 2.457 10 5 DEBEMO CC(C)c1ccc(CN2CC[N@@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000190236298 402586695 /nfs/dbraw/zinc/58/66/95/402586695.db2.gz APVLABWBTJXHLM-AWEZNQCLSA-N 1 1 321.421 2.217 10 5 DEBEMO CC(C)c1ccc(CN2CC[N@@H+](CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000190236275 402586710 /nfs/dbraw/zinc/58/67/10/402586710.db2.gz APVLABWBTJXHLM-CQSZACIVSA-N 1 1 321.421 2.217 10 5 DEBEMO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000253339784 402662198 /nfs/dbraw/zinc/66/21/98/402662198.db2.gz ANQPOUNDEGHAIU-SLEUVZQESA-N 1 1 321.377 2.279 10 5 DEBEMO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000253339784 402662201 /nfs/dbraw/zinc/66/22/01/402662201.db2.gz ANQPOUNDEGHAIU-SLEUVZQESA-N 1 1 321.377 2.279 10 5 DEBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000174970215 402768011 /nfs/dbraw/zinc/76/80/11/402768011.db2.gz BJYLLZKYDPQCFV-GOEBONIOSA-N 1 1 317.389 2.223 10 5 DEBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000175005559 402770660 /nfs/dbraw/zinc/77/06/60/402770660.db2.gz STEXFXVOZOUWNI-DZGCQCFKSA-N 1 1 303.362 2.294 10 5 DEBEMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195091933 402830931 /nfs/dbraw/zinc/83/09/31/402830931.db2.gz WOJKYSBIPWHOEL-FSNWXROXSA-N 1 1 315.373 2.305 10 5 DEBEMO C[C@H]1C[C@H](N(C)c2nc3sccn3c2[N+](=O)[O-])CC[N@H+]1C ZINC000266275144 402968121 /nfs/dbraw/zinc/96/81/21/402968121.db2.gz RUOLRDNGFPXTKL-VHSXEESVSA-N 1 1 309.395 2.223 10 5 DEBEMO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000407990893 405085437 /nfs/dbraw/zinc/08/54/37/405085437.db2.gz QXYXMMJPSMDHFX-GXTWGEPZSA-N 1 1 305.378 2.359 10 5 DEBEMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000407990893 405085440 /nfs/dbraw/zinc/08/54/40/405085440.db2.gz QXYXMMJPSMDHFX-GXTWGEPZSA-N 1 1 305.378 2.359 10 5 DEBEMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000408208014 405139025 /nfs/dbraw/zinc/13/90/25/405139025.db2.gz KFPADPGDNHQJCL-HZMBPMFUSA-N 1 1 322.340 2.292 10 5 DEBEMO 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/nfs/dbraw/zinc/39/92/71/195399271.db2.gz FLGJWSDPLHFHRO-NSHDSACASA-N 1 1 314.183 2.151 10 5 DEBEMO C[N@H+]1CC[C@H](NCc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000122087395 195399273 /nfs/dbraw/zinc/39/92/73/195399273.db2.gz FLGJWSDPLHFHRO-NSHDSACASA-N 1 1 314.183 2.151 10 5 DEBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000246356312 145100147 /nfs/dbraw/zinc/10/01/47/145100147.db2.gz WUGFJOURBMQXTQ-USXIJHARSA-N 1 1 320.389 2.255 10 5 DEBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247402320 145135985 /nfs/dbraw/zinc/13/59/85/145135985.db2.gz MROHWAASEBYMNE-WFASDCNBSA-N 1 1 305.378 2.397 10 5 DEBEMO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000247533058 145140255 /nfs/dbraw/zinc/14/02/55/145140255.db2.gz XLBGSSZHNSFBRM-JSGCOSHPSA-N 1 1 305.378 2.458 10 5 DEBEMO CCOCC[N@H+]1CCN(c2nccc(C)c2[N+](=O)[O-])C[C@@H]1CC ZINC000115517119 401830645 /nfs/dbraw/zinc/83/06/45/401830645.db2.gz CQFMOGZWRSZCMY-AWEZNQCLSA-N 1 1 322.409 2.235 10 5 DEBEMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3(CO)CC3)cs2)c1 ZINC000120328398 401986847 /nfs/dbraw/zinc/98/68/47/401986847.db2.gz NINLOMFVZNKKSW-UHFFFAOYSA-N 1 1 305.359 2.333 10 5 DEBEMO C[C@@H](C(=O)N1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185134246 402327400 /nfs/dbraw/zinc/32/74/00/402327400.db2.gz BJZBNHACZIZMHB-LLVKDONJSA-N 1 1 321.352 2.144 10 5 DEBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000246826119 402546367 /nfs/dbraw/zinc/54/63/67/402546367.db2.gz AKRPOANAZGTVQB-MNOVXSKESA-N 1 1 309.391 2.355 10 5 DEBEMO COc1cc(C[N@@H+]2CC[C@H](C)[C@H](OC)C2)c([N+](=O)[O-])cc1OC ZINC000249176758 402622960 /nfs/dbraw/zinc/62/29/60/402622960.db2.gz MGPKRJXFDAQQQG-MEDUHNTESA-N 1 1 324.377 2.469 10 5 DEBEMO COc1cc(C[N@H+]2CC[C@H](C)[C@H](OC)C2)c([N+](=O)[O-])cc1OC ZINC000249176758 402622962 /nfs/dbraw/zinc/62/29/62/402622962.db2.gz MGPKRJXFDAQQQG-MEDUHNTESA-N 1 1 324.377 2.469 10 5 DEBEMO CC[C@@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C[C@H](C)O ZINC000252353348 402652615 /nfs/dbraw/zinc/65/26/15/402652615.db2.gz WUOBVLSETJGSAG-SQWLQELKSA-N 1 1 321.421 2.433 10 5 DEBEMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000192492522 402732607 /nfs/dbraw/zinc/73/26/07/402732607.db2.gz BPOOVNSFGALXJA-QVHFTPCNSA-N 1 1 315.373 2.018 10 5 DEBEMO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2C)CC[N@H+]1C[C@@H](C)O ZINC000183332537 402757557 /nfs/dbraw/zinc/75/75/57/402757557.db2.gz QUDXGIKZOYEDQP-ZBFHGGJFSA-N 1 1 321.421 2.180 10 5 DEBEMO CCOc1cc(N2CC[N@@H+](CCOC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000174914653 402762810 /nfs/dbraw/zinc/76/28/10/402762810.db2.gz WFUTUDRPIIQRFO-CYBMUJFWSA-N 1 1 323.393 2.150 10 5 DEBEMO Cc1cc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000195045088 402828820 /nfs/dbraw/zinc/82/88/20/402828820.db2.gz KAPSVSIWEUYXPW-CQSZACIVSA-N 1 1 303.362 2.214 10 5 DEBEMO Cc1cc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000195045088 402828823 /nfs/dbraw/zinc/82/88/23/402828823.db2.gz KAPSVSIWEUYXPW-CQSZACIVSA-N 1 1 303.362 2.214 10 5 DEBEMO C[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000266974732 403004241 /nfs/dbraw/zinc/00/42/41/403004241.db2.gz NGLWSJNVXKDHSL-JTQLQIEISA-N 1 1 319.283 2.356 10 5 DEBEMO C[N@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000266974732 403004243 /nfs/dbraw/zinc/00/42/43/403004243.db2.gz NGLWSJNVXKDHSL-JTQLQIEISA-N 1 1 319.283 2.356 10 5 DEBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338967749 403302063 /nfs/dbraw/zinc/30/20/63/403302063.db2.gz ULRSFJPPEBUIPI-YRUGHSSSSA-N 1 1 304.346 2.098 10 5 DEBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338967749 403302065 /nfs/dbraw/zinc/30/20/65/403302065.db2.gz ULRSFJPPEBUIPI-YRUGHSSSSA-N 1 1 304.346 2.098 10 5 DEBEMO Cc1cc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000301694198 403665648 /nfs/dbraw/zinc/66/56/48/403665648.db2.gz ZUFMOYHTBZSXNI-KBPBESRZSA-N 1 1 311.769 2.076 10 5 DEBEMO CCOc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000358135181 404754851 /nfs/dbraw/zinc/75/48/51/404754851.db2.gz URFDHGNJYVKCFP-LBPRGKRZSA-N 1 1 323.393 2.452 10 5 DEBEMO CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249760831 521621846 /nfs/dbraw/zinc/62/18/46/521621846.db2.gz LBGSYEIDGIWMOP-TZMCWYRMSA-N 1 1 320.393 2.439 10 5 DEBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000127225911 521628456 /nfs/dbraw/zinc/62/84/56/521628456.db2.gz BKNWYSIKDHEWFB-OAHLLOKOSA-N 1 1 319.405 2.388 10 5 DEBEMO Cc1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000247306705 524155615 /nfs/dbraw/zinc/15/56/15/524155615.db2.gz LSEFRWHJIJFMBM-OCCSQVGLSA-N 1 1 305.378 2.362 10 5 DEBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000248406016 535875349 /nfs/dbraw/zinc/87/53/49/535875349.db2.gz RXYSVHIISWOQGV-NEPJUHHUSA-N 1 1 319.365 2.080 10 5 DEBEMO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000179040517 625320489 /nfs/dbraw/zinc/32/04/89/625320489.db2.gz GOOIIQDYTFBDMI-UHFFFAOYSA-N 1 1 319.340 2.238 10 5 DEBEMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000178891419 636490962 /nfs/dbraw/zinc/49/09/62/636490962.db2.gz XFSUWIKTNOMQQF-GFCCVEGCSA-N 1 1 319.340 2.238 10 5 DEBEMO Cc1nn(C[N@H+](C)C[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc12 ZINC000121203321 684106434 /nfs/dbraw/zinc/10/64/34/684106434.db2.gz HDFWKBGYTGZVJI-CYBMUJFWSA-N 1 1 304.350 2.321 10 5 DEBEMO Cc1nn(C[N@@H+](C)C[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc12 ZINC000121203321 684106437 /nfs/dbraw/zinc/10/64/37/684106437.db2.gz HDFWKBGYTGZVJI-CYBMUJFWSA-N 1 1 304.350 2.321 10 5 DEBEMO CC[N@H+]1CCC[C@@H](NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C1 ZINC000131216598 684197877 /nfs/dbraw/zinc/19/78/77/684197877.db2.gz LRWQIIFKGBIVMW-GFCCVEGCSA-N 1 1 309.341 2.256 10 5 DEBEMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000588445591 777201732 /nfs/dbraw/zinc/20/17/32/777201732.db2.gz XLTSZLZMSUGBME-VSKPTYQZSA-N 1 1 317.389 2.456 10 5 DEBEMO C[C@@H]1CC[C@@H](C)[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181934669 199364696 /nfs/dbraw/zinc/36/46/96/199364696.db2.gz OIFLBULXTMATOX-MCIONIFRSA-N 1 1 308.378 2.455 10 5 DEBEMO COC(=O)c1cc(NC[C@H]2CCC[N@@H+](C)C2)cc(C)c1[N+](=O)[O-] ZINC000091482655 355599216 /nfs/dbraw/zinc/59/92/16/355599216.db2.gz KFAIBRUJCIBARI-GFCCVEGCSA-N 1 1 321.377 2.444 10 5 DEBEMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)c1ccccc1 ZINC000585754494 357352462 /nfs/dbraw/zinc/35/24/62/357352462.db2.gz PRNCKPVAYLFNSC-HNNXBMFYSA-N 1 1 318.377 2.019 10 5 DEBEMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC000611615668 361645398 /nfs/dbraw/zinc/64/53/98/361645398.db2.gz ZXUVBOPGSLRGAW-AWEZNQCLSA-N 1 1 322.409 2.375 10 5 DEBEMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](C)COC ZINC000094774657 193396131 /nfs/dbraw/zinc/39/61/31/193396131.db2.gz MWHVSFMYZKXFET-NSHDSACASA-N 1 1 300.330 2.217 10 5 DEBEMO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000043596736 183375435 /nfs/dbraw/zinc/37/54/35/183375435.db2.gz MPLAYZCWZYMUNR-MRVPVSSYSA-N 1 1 300.156 2.473 10 5 DEBEMO C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000043596736 183375436 /nfs/dbraw/zinc/37/54/36/183375436.db2.gz MPLAYZCWZYMUNR-MRVPVSSYSA-N 1 1 300.156 2.473 10 5 DEBEMO CC[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000110732707 194355050 /nfs/dbraw/zinc/35/50/50/194355050.db2.gz KCWVWZCOZYMACA-NSHDSACASA-N 1 1 311.769 2.414 10 5 DEBEMO CC[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000110732707 194355053 /nfs/dbraw/zinc/35/50/53/194355053.db2.gz KCWVWZCOZYMACA-NSHDSACASA-N 1 1 311.769 2.414 10 5 DEBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000247034198 145124514 /nfs/dbraw/zinc/12/45/14/145124514.db2.gz GLDCXNXZWKMAPS-FZMZJTMJSA-N 1 1 304.350 2.295 10 5 DEBEMO Cc1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000247186422 145129118 /nfs/dbraw/zinc/12/91/18/145129118.db2.gz BGSDMZIBINRIME-STQMWFEESA-N 1 1 305.378 2.458 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000124594337 402187364 /nfs/dbraw/zinc/18/73/64/402187364.db2.gz PSNVWSQNBZBRBM-CHWSQXEVSA-N 1 1 305.378 2.458 10 5 DEBEMO CC[N@H+]1CCC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000176291986 402297548 /nfs/dbraw/zinc/29/75/48/402297548.db2.gz JICNIUIDAQBKJU-CQSZACIVSA-N 1 1 305.378 2.128 10 5 DEBEMO Cc1sc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246759429 402543565 /nfs/dbraw/zinc/54/35/65/402543565.db2.gz BTXCQNUFGIYRFC-KOLCDFICSA-N 1 1 311.407 2.423 10 5 DEBEMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247468641 402567899 /nfs/dbraw/zinc/56/78/99/402567899.db2.gz RMRSXIQLGKHLEL-TZMCWYRMSA-N 1 1 303.362 2.212 10 5 DEBEMO COc1cc(C[NH+]2[C@H](C)CC(O)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000191176960 402648813 /nfs/dbraw/zinc/64/88/13/402648813.db2.gz UCGZDAQXLPYQRL-NXEZZACHSA-N 1 1 312.341 2.476 10 5 DEBEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000255390275 402686460 /nfs/dbraw/zinc/68/64/60/402686460.db2.gz CMNXQISERMRHJF-MUGHPLOMSA-N 1 1 317.389 2.453 10 5 DEBEMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000255563092 402691491 /nfs/dbraw/zinc/69/14/91/402691491.db2.gz WOJKYSBIPWHOEL-CXOKCQFOSA-N 1 1 315.373 2.305 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000183276309 402751971 /nfs/dbraw/zinc/75/19/71/402751971.db2.gz PPQSOIBLTCYRJP-HNNXBMFYSA-N 1 1 303.362 2.146 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000183276309 402751973 /nfs/dbraw/zinc/75/19/73/402751973.db2.gz PPQSOIBLTCYRJP-HNNXBMFYSA-N 1 1 303.362 2.146 10 5 DEBEMO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000175998677 402846904 /nfs/dbraw/zinc/84/69/04/402846904.db2.gz WCEIUBJNLJDRFK-JSGCOSHPSA-N 1 1 320.393 2.358 10 5 DEBEMO CC[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000175998943 402846996 /nfs/dbraw/zinc/84/69/96/402846996.db2.gz WJMQMKFFAHPYSP-LSDHHAIUSA-N 1 1 320.393 2.439 10 5 DEBEMO Cc1cc(N2CCC(Cc3[nH+]ccn3C)CC2)ncc1[N+](=O)[O-] ZINC000301462056 403633106 /nfs/dbraw/zinc/63/31/06/403633106.db2.gz ZGMOQDXKWVWIFB-UHFFFAOYSA-N 1 1 315.377 2.491 10 5 DEBEMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000360884186 404844446 /nfs/dbraw/zinc/84/44/46/404844446.db2.gz QFOVMBSUKRZBAN-LBPRGKRZSA-N 1 1 301.350 2.182 10 5 DEBEMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000408068169 405103101 /nfs/dbraw/zinc/10/31/01/405103101.db2.gz HJCXXDRNGSBRBB-GHMZBOCLSA-N 1 1 316.361 2.241 10 5 DEBEMO O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cn1 ZINC000521718165 406363977 /nfs/dbraw/zinc/36/39/77/406363977.db2.gz JZNIWNOFMOTVFB-UONOGXRCSA-N 1 1 306.366 2.045 10 5 DEBEMO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000134528462 196399664 /nfs/dbraw/zinc/39/96/64/196399664.db2.gz KQNKXKMPCSTHSU-RNCFNFMXSA-N 1 1 311.769 2.318 10 5 DEBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246839286 536165795 /nfs/dbraw/zinc/16/57/95/536165795.db2.gz BJYLLZKYDPQCFV-HOCLYGCPSA-N 1 1 317.389 2.223 10 5 DEBEMO COCC[N@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000255620366 536873118 /nfs/dbraw/zinc/87/31/18/536873118.db2.gz FOZOEXOUWLFVTK-PKYBCLHXSA-N 1 1 319.405 2.261 10 5 DEBEMO COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000227752789 636613996 /nfs/dbraw/zinc/61/39/96/636613996.db2.gz ZCFPPGTVSDGATI-JOYOIKCWSA-N 1 1 312.753 2.489 10 5 DEBEMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000227752789 636613998 /nfs/dbraw/zinc/61/39/98/636613998.db2.gz ZCFPPGTVSDGATI-JOYOIKCWSA-N 1 1 312.753 2.489 10 5 DEBEMO C/C(=C\C(=O)NC[C@@H]1CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000750806759 639028771 /nfs/dbraw/zinc/02/87/71/639028771.db2.gz FYSDSVRMCKTMFP-SRXBQZRASA-N 1 1 303.362 2.066 10 5 DEBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000153226273 647391330 /nfs/dbraw/zinc/39/13/30/647391330.db2.gz PMRYJXJTMIGYLT-IUODEOHRSA-N 1 1 315.377 2.071 10 5 DEBEMO CC[N@H+]1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000186785242 282284019 /nfs/dbraw/zinc/28/40/19/282284019.db2.gz PJZWVDKDFNAPKJ-NSHDSACASA-N 1 1 322.365 2.209 10 5 DEBEMO C[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H](C)[NH+]1C ZINC000141964739 186031514 /nfs/dbraw/zinc/03/15/14/186031514.db2.gz CFSLMHOMAWHDHW-UWVGGRQHSA-N 1 1 311.769 2.413 10 5 DEBEMO Cc1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000155730458 186107827 /nfs/dbraw/zinc/10/78/27/186107827.db2.gz LSEFRWHJIJFMBM-JSGCOSHPSA-N 1 1 305.378 2.362 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000183362917 356169204 /nfs/dbraw/zinc/16/92/04/356169204.db2.gz SHBNSLQKHIKFJW-LBPRGKRZSA-N 1 1 304.268 2.402 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000183362917 356169207 /nfs/dbraw/zinc/16/92/07/356169207.db2.gz SHBNSLQKHIKFJW-LBPRGKRZSA-N 1 1 304.268 2.402 10 5 DEBEMO CC[C@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000611616325 361645244 /nfs/dbraw/zinc/64/52/44/361645244.db2.gz HQFJDSWKRVFBGE-AWEZNQCLSA-N 1 1 322.409 2.154 10 5 DEBEMO CCOCC[N@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000106110950 194187374 /nfs/dbraw/zinc/18/73/74/194187374.db2.gz UUTCAIOTQFPTRH-AWEZNQCLSA-N 1 1 307.394 2.137 10 5 DEBEMO Cc1cccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000155322342 197044077 /nfs/dbraw/zinc/04/40/77/197044077.db2.gz APAOPNPTUWEDPC-JSGCOSHPSA-N 1 1 305.378 2.362 10 5 DEBEMO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000252009441 145198009 /nfs/dbraw/zinc/19/80/09/145198009.db2.gz XLOXUVINRUFYIV-TYNCELHUSA-N 1 1 321.377 2.279 10 5 DEBEMO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000252009441 145198011 /nfs/dbraw/zinc/19/80/11/145198011.db2.gz XLOXUVINRUFYIV-TYNCELHUSA-N 1 1 321.377 2.279 10 5 DEBEMO Cc1ccc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)cc1[N+](=O)[O-] ZINC000128547348 401782014 /nfs/dbraw/zinc/78/20/14/401782014.db2.gz YXVMQQCOVIHTQP-OAHLLOKOSA-N 1 1 315.377 2.407 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000119053661 401921827 /nfs/dbraw/zinc/92/18/27/401921827.db2.gz BHDLAPSVVDXGAT-CZUORRHYSA-N 1 1 317.389 2.460 10 5 DEBEMO C[N@H+]1CCC[C@@H]2CN(c3cc(CO)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000302027267 403706655 /nfs/dbraw/zinc/70/66/55/403706655.db2.gz IPVXWEBLDOZYHS-ZIAGYGMSSA-N 1 1 305.378 2.008 10 5 DEBEMO CC[N@@H+](C)[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000302610258 403713357 /nfs/dbraw/zinc/71/33/57/403713357.db2.gz ANZLRSODZAIBNQ-LBPRGKRZSA-N 1 1 318.377 2.010 10 5 DEBEMO C[C@@H]1C[N@H+](C[C@H]2CCCN2c2ccc([N+](=O)[O-])nc2)C[C@H](C)O1 ZINC000450457325 405908889 /nfs/dbraw/zinc/90/88/89/405908889.db2.gz RPRITGBZEXAZKL-VNHYZAJKSA-N 1 1 320.393 2.068 10 5 DEBEMO CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000571619393 406542920 /nfs/dbraw/zinc/54/29/20/406542920.db2.gz QDPFCIFTFCQCDY-OLZOCXBDSA-N 1 1 305.378 2.156 10 5 DEBEMO COC(=O)c1cc(N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000301956350 533849129 /nfs/dbraw/zinc/84/91/29/533849129.db2.gz MJALJACLGBHOED-SMDDNHRTSA-N 1 1 321.377 2.158 10 5 DEBEMO C/C(=C/C(=O)NCC[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000751495598 639087222 /nfs/dbraw/zinc/08/72/22/639087222.db2.gz SYOMKIGXFWJVDG-QXMHVHEDSA-N 1 1 303.362 2.209 10 5 DEBEMO COCCOC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000172018580 646719335 /nfs/dbraw/zinc/71/93/35/646719335.db2.gz LYFWFHBKZXXMHT-UHFFFAOYSA-N 1 1 312.341 2.361 10 5 DEBEMO CC(C)C[N@H+]1CCO[C@H](COC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000248262053 685155994 /nfs/dbraw/zinc/15/59/94/685155994.db2.gz WNNDGAJGPMJNLW-HNNXBMFYSA-N 1 1 322.361 2.108 10 5 DEBEMO C[C@@H]([NH3+])c1nc(C(=O)Nc2cc(F)ccc2[N+](=O)[O-])cs1 ZINC000149106555 186048061 /nfs/dbraw/zinc/04/80/61/186048061.db2.gz FYMNBLPTRBOWFA-ZCFIWIBFSA-N 1 1 310.310 2.462 10 5 DEBEMO COc1ccc(OCC[N@@H+](C)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000173545806 198225538 /nfs/dbraw/zinc/22/55/38/198225538.db2.gz RJIRQEHYKCUGMW-CYBMUJFWSA-N 1 1 310.350 2.093 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188900109 200318863 /nfs/dbraw/zinc/31/88/63/200318863.db2.gz NOVWWQXUXYMJKL-CQSZACIVSA-N 1 1 321.421 2.180 10 5 DEBEMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042428653 183269112 /nfs/dbraw/zinc/26/91/12/183269112.db2.gz KKUBJRAGWWGARQ-ZJUUUORDSA-N 1 1 311.769 2.334 10 5 DEBEMO CC[C@@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)CC[N@H+]1C[C@@H](C)O ZINC000120706177 195220856 /nfs/dbraw/zinc/22/08/56/195220856.db2.gz ALUKFQZCJFCRSG-GDBMZVCRSA-N 1 1 321.421 2.180 10 5 DEBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247193121 145128807 /nfs/dbraw/zinc/12/88/07/145128807.db2.gz BNGYQZKYOJFNEF-JSGCOSHPSA-N 1 1 305.378 2.397 10 5 DEBEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000247389789 145135813 /nfs/dbraw/zinc/13/58/13/145135813.db2.gz QHAQDQJBXTZXOB-SWLSCSKDSA-N 1 1 320.393 2.123 10 5 DEBEMO Cc1ccc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)cc1[N+](=O)[O-] ZINC000128547089 401782313 /nfs/dbraw/zinc/78/23/13/401782313.db2.gz YXVMQQCOVIHTQP-HNNXBMFYSA-N 1 1 315.377 2.407 10 5 DEBEMO C[C@H]1C[C@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)CCN1C ZINC000123878785 402151828 /nfs/dbraw/zinc/15/18/28/402151828.db2.gz UHIJASXSQHNIKP-UONOGXRCSA-N 1 1 307.394 2.388 10 5 DEBEMO C[C@H]1C[C@H](N(C)CCOc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123878785 402151830 /nfs/dbraw/zinc/15/18/30/402151830.db2.gz UHIJASXSQHNIKP-UONOGXRCSA-N 1 1 307.394 2.388 10 5 DEBEMO C[C@H]1C[C@H](N(C)CCOc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000123878785 402151833 /nfs/dbraw/zinc/15/18/33/402151833.db2.gz UHIJASXSQHNIKP-UONOGXRCSA-N 1 1 307.394 2.388 10 5 DEBEMO CC[NH+]1CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000184780942 402299445 /nfs/dbraw/zinc/29/94/45/402299445.db2.gz YEWVISMAMOEDSV-OUKQBFOZSA-N 1 1 303.362 2.162 10 5 DEBEMO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000158305698 402304552 /nfs/dbraw/zinc/30/45/52/402304552.db2.gz UOCKHQKWSXXCJP-BRWVUGGUSA-N 1 1 320.389 2.406 10 5 DEBEMO C[C@@H](CO)[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162458009 402420689 /nfs/dbraw/zinc/42/06/89/402420689.db2.gz DMZKSCJIRXDIHI-QMMMGPOBSA-N 1 1 303.156 2.170 10 5 DEBEMO C[C@@H]1C[C@H](N(C)C(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000174393231 402739077 /nfs/dbraw/zinc/73/90/77/402739077.db2.gz KHWGOGPGICFQMU-TZMCWYRMSA-N 1 1 320.393 2.219 10 5 DEBEMO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCO1 ZINC000183150437 402742950 /nfs/dbraw/zinc/74/29/50/402742950.db2.gz OYRLLSNGIYPOGC-GXFFZTMASA-N 1 1 318.333 2.302 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000183219725 402747773 /nfs/dbraw/zinc/74/77/73/402747773.db2.gz PYYWQWRJNUQKEB-AWEZNQCLSA-N 1 1 315.377 2.407 10 5 DEBEMO CCO[C@@H]1C[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C12CCCC2 ZINC000174872867 402760800 /nfs/dbraw/zinc/76/08/00/402760800.db2.gz MYZKFGVEZKXSHM-LSDHHAIUSA-N 1 1 322.409 2.461 10 5 DEBEMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000194730969 402813036 /nfs/dbraw/zinc/81/30/36/402813036.db2.gz QZRSTKTYJFSEKH-YPMHNXCESA-N 1 1 323.418 2.286 10 5 DEBEMO Cc1cc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000195045225 402828552 /nfs/dbraw/zinc/82/85/52/402828552.db2.gz KAPSVSIWEUYXPW-AWEZNQCLSA-N 1 1 303.362 2.214 10 5 DEBEMO Cc1cc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000195045225 402828554 /nfs/dbraw/zinc/82/85/54/402828554.db2.gz KAPSVSIWEUYXPW-AWEZNQCLSA-N 1 1 303.362 2.214 10 5 DEBEMO Cc1cc(N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000361822162 403888146 /nfs/dbraw/zinc/88/81/46/403888146.db2.gz DECPTRZOVLSMSK-UHFFFAOYSA-N 1 1 321.358 2.264 10 5 DEBEMO CC1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000376018667 404789332 /nfs/dbraw/zinc/78/93/32/404789332.db2.gz KDOPNOCICPGRPJ-INIZCTEOSA-N 1 1 306.362 2.365 10 5 DEBEMO CC1(C)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000376018667 404789333 /nfs/dbraw/zinc/78/93/33/404789333.db2.gz KDOPNOCICPGRPJ-INIZCTEOSA-N 1 1 306.362 2.365 10 5 DEBEMO C[C@@H]1C[C@H](Nc2ccncc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000361044032 404891749 /nfs/dbraw/zinc/89/17/49/404891749.db2.gz REBPOGNVKPRYPN-HIFRSBDPSA-N 1 1 312.373 2.487 10 5 DEBEMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cnn4ccccc34)nc2c1 ZINC000446848047 405394497 /nfs/dbraw/zinc/39/44/97/405394497.db2.gz DLPRMRDSFZLBHC-UHFFFAOYSA-N 1 1 322.328 2.409 10 5 DEBEMO Cc1cc(N2CC[NH+](C[C@@H](C)O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000302536937 230287700 /nfs/dbraw/zinc/28/77/00/230287700.db2.gz MQYAABJJHBGAGZ-LLVKDONJSA-N 1 1 313.785 2.059 10 5 DEBEMO C[N@H+]1CCC[C@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@H]21 ZINC000278170446 277085060 /nfs/dbraw/zinc/08/50/60/277085060.db2.gz AYNSYDVLRVVFDF-XHDPSFHLSA-N 1 1 315.377 2.392 10 5 DEBEMO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000127200321 288080946 /nfs/dbraw/zinc/08/09/46/288080946.db2.gz GTZHFXXSCWTRHK-NXEZZACHSA-N 1 1 311.769 2.413 10 5 DEBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000182811551 281022032 /nfs/dbraw/zinc/02/20/32/281022032.db2.gz DGBNVYJTKYFAPJ-HOCLYGCPSA-N 1 1 319.405 2.371 10 5 DEBEMO C/C(=C\C(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752119781 639157235 /nfs/dbraw/zinc/15/72/35/639157235.db2.gz FLFYMHXBMSFCMG-JWAFFJSPSA-N 1 1 317.389 2.456 10 5 DEBEMO C[C@@H]1C[C@H](N(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000246366397 685128744 /nfs/dbraw/zinc/12/87/44/685128744.db2.gz XYWVZIWRVQZZHJ-XNRPHZJLSA-N 1 1 307.394 2.043 10 5 DEBEMO C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000246366397 685128746 /nfs/dbraw/zinc/12/87/46/685128746.db2.gz XYWVZIWRVQZZHJ-XNRPHZJLSA-N 1 1 307.394 2.043 10 5 DEBEMO C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000246366397 685128749 /nfs/dbraw/zinc/12/87/49/685128749.db2.gz XYWVZIWRVQZZHJ-XNRPHZJLSA-N 1 1 307.394 2.043 10 5 DEBEMO CCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCCCO1 ZINC000090554125 185302624 /nfs/dbraw/zinc/30/26/24/185302624.db2.gz UBFVUUWACCLLOY-OAHLLOKOSA-N 1 1 323.393 2.038 10 5 DEBEMO C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCO1 ZINC000183208747 199555415 /nfs/dbraw/zinc/55/54/15/199555415.db2.gz DOCLPTRYRCHOCG-MFKMUULPSA-N 1 1 318.333 2.302 10 5 DEBEMO Cc1sc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000155722111 186106527 /nfs/dbraw/zinc/10/65/27/186106527.db2.gz BTXCQNUFGIYRFC-GXSJLCMTSA-N 1 1 311.407 2.423 10 5 DEBEMO Cc1c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000174744662 198379396 /nfs/dbraw/zinc/37/93/96/198379396.db2.gz YABDSHIAPIPSLR-LBPRGKRZSA-N 1 1 304.268 2.402 10 5 DEBEMO Cc1c(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000174744662 198379397 /nfs/dbraw/zinc/37/93/97/198379397.db2.gz YABDSHIAPIPSLR-LBPRGKRZSA-N 1 1 304.268 2.402 10 5 DEBEMO COC(=O)c1cc(N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000092668240 355644820 /nfs/dbraw/zinc/64/48/20/355644820.db2.gz MJALJACLGBHOED-FZMZJTMJSA-N 1 1 321.377 2.158 10 5 DEBEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042428651 183269206 /nfs/dbraw/zinc/26/92/06/183269206.db2.gz DFQXFAXMRWSFEA-MWLCHTKSSA-N 1 1 311.769 2.334 10 5 DEBEMO CCOCC[N@H+]1CCN(Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000106110953 194187997 /nfs/dbraw/zinc/18/79/97/194187997.db2.gz SKDGRCTUWPBMHG-AWEZNQCLSA-N 1 1 321.421 2.446 10 5 DEBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000113270262 194575670 /nfs/dbraw/zinc/57/56/70/194575670.db2.gz XPCOQXHMRNGVRH-DZGCQCFKSA-N 1 1 305.378 2.142 10 5 DEBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000113270260 194576101 /nfs/dbraw/zinc/57/61/01/194576101.db2.gz XPCOQXHMRNGVRH-UKRRQHHQSA-N 1 1 305.378 2.142 10 5 DEBEMO Cc1c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000155552006 197065423 /nfs/dbraw/zinc/06/54/23/197065423.db2.gz YDCTVRFJTNQLFM-FZMZJTMJSA-N 1 1 305.378 2.362 10 5 DEBEMO Cc1cccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000155322234 197044072 /nfs/dbraw/zinc/04/40/72/197044072.db2.gz APAOPNPTUWEDPC-GXTWGEPZSA-N 1 1 305.378 2.362 10 5 DEBEMO COc1cccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000194677447 533418275 /nfs/dbraw/zinc/41/82/75/533418275.db2.gz PMYOKGYQSMNLRA-AAEUAGOBSA-N 1 1 321.377 2.062 10 5 DEBEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246201676 145094636 /nfs/dbraw/zinc/09/46/36/145094636.db2.gz JETPPYYKEVUAAZ-BXUZGUMPSA-N 1 1 306.366 2.445 10 5 DEBEMO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000247336025 145134214 /nfs/dbraw/zinc/13/42/14/145134214.db2.gz JADXZNQAFYUYQL-JSGCOSHPSA-N 1 1 305.378 2.458 10 5 DEBEMO COc1ccc(OCC[N@H+]2CC[C@H](C)[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000251798016 145196414 /nfs/dbraw/zinc/19/64/14/145196414.db2.gz MDYGKUPAFKEGCM-BLLLJJGKSA-N 1 1 324.377 2.339 10 5 DEBEMO CCC[N@H+]1CCC[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000359511887 147340375 /nfs/dbraw/zinc/34/03/75/147340375.db2.gz BXVAFYAZNDTTCS-HNNXBMFYSA-N 1 1 305.378 2.128 10 5 DEBEMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000076300017 401789892 /nfs/dbraw/zinc/78/98/92/401789892.db2.gz CTYBOZMGFWXUBZ-CQSZACIVSA-N 1 1 307.350 2.034 10 5 DEBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000076485582 401796449 /nfs/dbraw/zinc/79/64/49/401796449.db2.gz MROHWAASEBYMNE-IUODEOHRSA-N 1 1 305.378 2.397 10 5 DEBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000076489944 401796722 /nfs/dbraw/zinc/79/67/22/401796722.db2.gz JKNCIKISEPIEGJ-ZYHUDNBSSA-N 1 1 311.407 2.459 10 5 DEBEMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054794916 402071965 /nfs/dbraw/zinc/07/19/65/402071965.db2.gz REJRMTQIYHTIAJ-LLVKDONJSA-N 1 1 309.341 2.338 10 5 DEBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])s2)[C@H](C)C1 ZINC000122311021 402072016 /nfs/dbraw/zinc/07/20/16/402072016.db2.gz CIRHNWKLAUBIBX-GHMZBOCLSA-N 1 1 311.407 2.459 10 5 DEBEMO C[C@@H]1C[C@@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])CCN1C ZINC000123356324 402123555 /nfs/dbraw/zinc/12/35/55/402123555.db2.gz MLCXINTVJOKMAM-KGLIPLIRSA-N 1 1 307.394 2.388 10 5 DEBEMO C[C@@H]1C[C@@H](N(C)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123356324 402123557 /nfs/dbraw/zinc/12/35/57/402123557.db2.gz MLCXINTVJOKMAM-KGLIPLIRSA-N 1 1 307.394 2.388 10 5 DEBEMO C[C@@H]1C[C@@H](N(C)CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000123356324 402123559 /nfs/dbraw/zinc/12/35/59/402123559.db2.gz MLCXINTVJOKMAM-KGLIPLIRSA-N 1 1 307.394 2.388 10 5 DEBEMO Cc1csc([C@@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000176222639 402292163 /nfs/dbraw/zinc/29/21/63/402292163.db2.gz NWGJUGOSXBATAI-GFCCVEGCSA-N 1 1 321.406 2.436 10 5 DEBEMO CC(C)[N@@H+]1C[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000176461569 402311668 /nfs/dbraw/zinc/31/16/68/402311668.db2.gz RGAIWEHVSUFFRL-JSGCOSHPSA-N 1 1 320.393 2.123 10 5 DEBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000176966909 402355356 /nfs/dbraw/zinc/35/53/56/402355356.db2.gz UMMVHJLAFJTBDV-ZDUSSCGKSA-N 1 1 321.377 2.160 10 5 DEBEMO COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000177759486 402433323 /nfs/dbraw/zinc/43/33/23/402433323.db2.gz BFLILKMDVXQFDG-OAHLLOKOSA-N 1 1 305.378 2.274 10 5 DEBEMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1CCCO1 ZINC000170688460 402514237 /nfs/dbraw/zinc/51/42/37/402514237.db2.gz JJOKNDUCRYIUGB-FZMZJTMJSA-N 1 1 307.350 2.033 10 5 DEBEMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1CCCO1 ZINC000170688460 402514241 /nfs/dbraw/zinc/51/42/41/402514241.db2.gz JJOKNDUCRYIUGB-FZMZJTMJSA-N 1 1 307.350 2.033 10 5 DEBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000247020719 402553585 /nfs/dbraw/zinc/55/35/85/402553585.db2.gz SLPHSJLSVVESTN-HIFRSBDPSA-N 1 1 303.362 2.294 10 5 DEBEMO Cc1sc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000247556631 402571981 /nfs/dbraw/zinc/57/19/81/402571981.db2.gz ZSDQRORKAMYGIB-KOLCDFICSA-N 1 1 309.391 2.273 10 5 DEBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000246171390 402515082 /nfs/dbraw/zinc/51/50/82/402515082.db2.gz LJIGKHSDZYOGLY-CJNGLKHVSA-N 1 1 317.389 2.223 10 5 DEBEMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000248751567 402607267 /nfs/dbraw/zinc/60/72/67/402607267.db2.gz GXURPRRZQIMSFD-CHWSQXEVSA-N 1 1 305.378 2.362 10 5 DEBEMO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2C)CC[N@H+]1C[C@@H](C)O ZINC000183332517 402757519 /nfs/dbraw/zinc/75/75/19/402757519.db2.gz QUDXGIKZOYEDQP-GDBMZVCRSA-N 1 1 321.421 2.180 10 5 DEBEMO Cc1ccc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000195043731 402828248 /nfs/dbraw/zinc/82/82/48/402828248.db2.gz WMFCYDPAGACKCF-AWEZNQCLSA-N 1 1 303.362 2.214 10 5 DEBEMO Cc1ccc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000195043731 402828251 /nfs/dbraw/zinc/82/82/51/402828251.db2.gz WMFCYDPAGACKCF-AWEZNQCLSA-N 1 1 303.362 2.214 10 5 DEBEMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195091917 402831001 /nfs/dbraw/zinc/83/10/01/402831001.db2.gz WOJKYSBIPWHOEL-YXMGTMDOSA-N 1 1 315.373 2.305 10 5 DEBEMO Cc1c(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000195095153 402831059 /nfs/dbraw/zinc/83/10/59/402831059.db2.gz KUTOLAPEYNZADJ-CYBMUJFWSA-N 1 1 303.362 2.214 10 5 DEBEMO Cc1c(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000195095153 402831060 /nfs/dbraw/zinc/83/10/60/402831060.db2.gz KUTOLAPEYNZADJ-CYBMUJFWSA-N 1 1 303.362 2.214 10 5 DEBEMO Cc1cc(NC[C@H]2C[N@H+](C)CCO2)c2cccc([N+](=O)[O-])c2n1 ZINC000302047514 230063258 /nfs/dbraw/zinc/06/32/58/230063258.db2.gz YVOZQETYKZXMNV-LBPRGKRZSA-N 1 1 316.361 2.194 10 5 DEBEMO Cc1cc(NC[C@H]2C[N@@H+](C)CCO2)c2cccc([N+](=O)[O-])c2n1 ZINC000302047514 230063262 /nfs/dbraw/zinc/06/32/62/230063262.db2.gz YVOZQETYKZXMNV-LBPRGKRZSA-N 1 1 316.361 2.194 10 5 DEBEMO CCOCC[N@H+]1CCN(c2nccc(C)c2[N+](=O)[O-])C[C@H]1CC ZINC000115517116 276324008 /nfs/dbraw/zinc/32/40/08/276324008.db2.gz CQFMOGZWRSZCMY-CQSZACIVSA-N 1 1 322.409 2.235 10 5 DEBEMO CC(=O)N1CC[C@H](C[N@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246903215 519624779 /nfs/dbraw/zinc/62/47/79/519624779.db2.gz RMTAIXMKMUPGCM-TZMCWYRMSA-N 1 1 305.378 2.456 10 5 DEBEMO C/C(=C\C(=O)NCC[N@@H+]1CC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752500249 639190960 /nfs/dbraw/zinc/19/09/60/639190960.db2.gz CGNZZECSHFCKKW-UQRISPGASA-N 1 1 317.389 2.456 10 5 DEBEMO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CO1 ZINC000703313634 1086493887 /nfs/dbraw/zinc/49/38/87/1086493887.db2.gz XMIIYPLFEAMGJU-LBPRGKRZSA-N 1 1 323.349 2.235 10 5 DEBEMO O=[N+]([O-])c1ccc(N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000091483121 355599017 /nfs/dbraw/zinc/59/90/17/355599017.db2.gz DJMUTHRVMPMVLF-MRXNPFEDSA-N 1 1 305.378 2.286 10 5 DEBEMO CCOc1ccc(C(=O)N2CC[N@H+](CC)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000611087747 361524613 /nfs/dbraw/zinc/52/46/13/361524613.db2.gz HATFQLUABNQDFD-GFCCVEGCSA-N 1 1 321.377 2.160 10 5 DEBEMO CCOc1ccc(C(=O)N2CC[N@@H+](CC)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000611087747 361524619 /nfs/dbraw/zinc/52/46/19/361524619.db2.gz HATFQLUABNQDFD-GFCCVEGCSA-N 1 1 321.377 2.160 10 5 DEBEMO COc1cc(C[NH+]2CCC([C@@H](C)O)CC2)c([N+](=O)[O-])cc1OC ZINC000092970002 193190535 /nfs/dbraw/zinc/19/05/35/193190535.db2.gz PEWXBECNHRGNAN-LLVKDONJSA-N 1 1 324.377 2.205 10 5 DEBEMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042428654 183269831 /nfs/dbraw/zinc/26/98/31/183269831.db2.gz KKUBJRAGWWGARQ-UWVGGRQHSA-N 1 1 311.769 2.334 10 5 DEBEMO CC[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000110732727 194354651 /nfs/dbraw/zinc/35/46/51/194354651.db2.gz AMTCPDSDYWJQJZ-LLVKDONJSA-N 1 1 311.769 2.414 10 5 DEBEMO CC[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000110732727 194354653 /nfs/dbraw/zinc/35/46/53/194354653.db2.gz AMTCPDSDYWJQJZ-LLVKDONJSA-N 1 1 311.769 2.414 10 5 DEBEMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[N@H+](C2CC2)CC1 ZINC000061604175 184177502 /nfs/dbraw/zinc/17/75/02/184177502.db2.gz KDCFZGQLUVKGAN-UHFFFAOYSA-N 1 1 307.325 2.044 10 5 DEBEMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000124831408 144713863 /nfs/dbraw/zinc/71/38/63/144713863.db2.gz RTXCNQPVRMVIFB-NSHDSACASA-N 1 1 316.361 2.474 10 5 DEBEMO C[C@]1(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]C1 ZINC000261943014 145245104 /nfs/dbraw/zinc/24/51/04/145245104.db2.gz DZIOSLOCRJPPDD-KRWDZBQOSA-N 1 1 319.405 2.438 10 5 DEBEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000151105545 402016515 /nfs/dbraw/zinc/01/65/15/402016515.db2.gz JUGQJLQPXUUQFD-GWCFXTLKSA-N 1 1 309.341 2.192 10 5 DEBEMO CC(=O)N[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000153836182 402173829 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CC[N@H+]1CCC[C@H]1CN(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000154658072 402224006 /nfs/dbraw/zinc/22/40/06/402224006.db2.gz AZJJCVCQSHIXHD-INIZCTEOSA-N 1 1 319.405 2.470 10 5 DEBEMO O=[N+]([O-])c1ccn(CC[N@@H+](C[C@H]2CCCO2)C2CCCC2)n1 ZINC000176266922 402295693 /nfs/dbraw/zinc/29/56/93/402295693.db2.gz QQJXUAFHZFISNU-CQSZACIVSA-N 1 1 308.382 2.215 10 5 DEBEMO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C(N)=O)co2)cc1[N+](=O)[O-] ZINC000187726751 402510072 /nfs/dbraw/zinc/51/00/72/402510072.db2.gz FEZBHMYIAXIZFP-SNVBAGLBSA-N 1 1 303.318 2.446 10 5 DEBEMO CCOCC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000246039970 402504958 /nfs/dbraw/zinc/50/49/58/402504958.db2.gz BCSIOZOCSLFRPU-CYBMUJFWSA-N 1 1 323.393 2.150 10 5 DEBEMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000170687739 402514268 /nfs/dbraw/zinc/51/42/68/402514268.db2.gz PQFQHXJOKDCCTE-GFCCVEGCSA-N 1 1 307.350 2.034 10 5 DEBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000246982142 402552246 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2.459 10 5 DEBEMO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123932106 402154522 /nfs/dbraw/zinc/15/45/22/402154522.db2.gz HLDNVUGOHWISAI-TZMCWYRMSA-N 1 1 305.378 2.458 10 5 DEBEMO CC[C@H]1CN(c2cccc(OC)c2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000185365740 402347165 /nfs/dbraw/zinc/34/71/65/402347165.db2.gz NGAIVEZZNIMUBF-ZDUSSCGKSA-N 1 1 323.393 2.150 10 5 DEBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@H]1CCCO1 ZINC000170687743 402514148 /nfs/dbraw/zinc/51/41/48/402514148.db2.gz PKOUNGLQCIQYBH-CQSZACIVSA-N 1 1 321.377 2.343 10 5 DEBEMO CC[N@H+]1CC[C@H](N(C)C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000178871118 402548998 /nfs/dbraw/zinc/54/89/98/402548998.db2.gz XKDCMPVDKZJLTF-COXVUDFISA-N 1 1 321.421 2.290 10 5 DEBEMO CCN1CC[C@H]([N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000178871118 402549008 /nfs/dbraw/zinc/54/90/08/402549008.db2.gz XKDCMPVDKZJLTF-COXVUDFISA-N 1 1 321.421 2.290 10 5 DEBEMO CCN1CC[C@H]([N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000178871118 402549011 /nfs/dbraw/zinc/54/90/11/402549011.db2.gz XKDCMPVDKZJLTF-COXVUDFISA-N 1 1 321.421 2.290 10 5 DEBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246400267 402529429 /nfs/dbraw/zinc/52/94/29/402529429.db2.gz JJZWGQPFMASPQX-CKEIUWERSA-N 1 1 319.405 2.308 10 5 DEBEMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183218855 402747948 /nfs/dbraw/zinc/74/79/48/402747948.db2.gz YVCDFIPOXDKETD-CQSZACIVSA-N 1 1 305.378 2.251 10 5 DEBEMO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174843526 402759483 /nfs/dbraw/zinc/75/94/83/402759483.db2.gz PDPGLKVBGAIFIX-BBRMVZONSA-N 1 1 316.361 2.253 10 5 DEBEMO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174843526 402759484 /nfs/dbraw/zinc/75/94/84/402759484.db2.gz PDPGLKVBGAIFIX-BBRMVZONSA-N 1 1 316.361 2.253 10 5 DEBEMO COc1cc(N2CC[N@@H+]3CCCC[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000270603130 403204671 /nfs/dbraw/zinc/20/46/71/403204671.db2.gz YKJVRXHYUIHOEG-NSHDSACASA-N 1 1 309.341 2.417 10 5 DEBEMO COc1cc(N2CC[N@H+]3CCCC[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000270603130 403204672 /nfs/dbraw/zinc/20/46/72/403204672.db2.gz YKJVRXHYUIHOEG-NSHDSACASA-N 1 1 309.341 2.417 10 5 DEBEMO Cc1sc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000299131462 403529872 /nfs/dbraw/zinc/52/98/72/403529872.db2.gz ZFNSJZRWGUHBJL-QWRGUYRKSA-N 1 1 309.391 2.321 10 5 DEBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000435059200 404954336 /nfs/dbraw/zinc/95/43/36/404954336.db2.gz VMLFHBBQQBIBKT-BNXPMYBGSA-N 1 1 315.373 2.210 10 5 DEBEMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000132824866 196286771 /nfs/dbraw/zinc/28/67/71/196286771.db2.gz UPLJZBFQLDXDHO-NSHDSACASA-N 1 1 309.341 2.338 10 5 DEBEMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000132824639 196286872 /nfs/dbraw/zinc/28/68/72/196286872.db2.gz UPLJZBFQLDXDHO-LLVKDONJSA-N 1 1 309.341 2.338 10 5 DEBEMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182128638 274314024 /nfs/dbraw/zinc/31/40/24/274314024.db2.gz OISWXYGWVLJYKW-KOLCDFICSA-N 1 1 311.769 2.334 10 5 DEBEMO CCOc1ccc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000155509022 276494776 /nfs/dbraw/zinc/49/47/76/276494776.db2.gz YLJBNUOYLHDKQV-RYUDHWBXSA-N 1 1 321.377 2.158 10 5 DEBEMO C/C(=C\C(=O)NCC[N@H+](C)C(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000752366234 639175387 /nfs/dbraw/zinc/17/53/87/639175387.db2.gz RHPZTFFLNNRRSM-ACCUITESSA-N 1 1 305.378 2.455 10 5 DEBEMO CCO[C@@H]1C[C@@H]([N@H+](C)Cn2cc([N+](=O)[O-])cn2)C12CCCC2 ZINC000156505309 646430058 /nfs/dbraw/zinc/43/00/58/646430058.db2.gz LXEQGOQBZOPRBF-ZIAGYGMSSA-N 1 1 308.382 2.418 10 5 DEBEMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cn2cc([N+](=O)[O-])cn2)C12CCCC2 ZINC000156505309 646430059 /nfs/dbraw/zinc/43/00/59/646430059.db2.gz LXEQGOQBZOPRBF-ZIAGYGMSSA-N 1 1 308.382 2.418 10 5 DEBEMO C[N@H+](CCc1ccc(F)cc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090519191 185299870 /nfs/dbraw/zinc/29/98/70/185299870.db2.gz MEIWBHXJDSFHPX-UHFFFAOYSA-N 1 1 319.336 2.070 10 5 DEBEMO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC)c2)CC[N@H+]1CCOC ZINC000174737198 198377853 /nfs/dbraw/zinc/37/78/53/198377853.db2.gz SOXVXEJJOMYIOE-CYBMUJFWSA-N 1 1 323.393 2.150 10 5 DEBEMO Cc1cc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000074765737 355048202 /nfs/dbraw/zinc/04/82/02/355048202.db2.gz RTFKCNQUSBCDLV-BFHYXJOUSA-N 1 1 302.378 2.219 10 5 DEBEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193922844 201147306 /nfs/dbraw/zinc/14/73/06/201147306.db2.gz RCVDNQRBLJHRRF-CQSZACIVSA-N 1 1 322.365 2.419 10 5 DEBEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000105851202 194146090 /nfs/dbraw/zinc/14/60/90/194146090.db2.gz UKRMROROLIWXRS-NSHDSACASA-N 1 1 318.333 2.424 10 5 DEBEMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105884590 194157187 /nfs/dbraw/zinc/15/71/87/194157187.db2.gz CSYYDRXUZSEQMI-LBPRGKRZSA-N 1 1 319.340 2.238 10 5 DEBEMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105884590 194157190 /nfs/dbraw/zinc/15/71/90/194157190.db2.gz CSYYDRXUZSEQMI-LBPRGKRZSA-N 1 1 319.340 2.238 10 5 DEBEMO Cc1ccc(N2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000301711416 292131679 /nfs/dbraw/zinc/13/16/79/292131679.db2.gz IBVQJDPBINSXFK-HUUCEWRRSA-N 1 1 319.405 2.329 10 5 DEBEMO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247398474 145136062 /nfs/dbraw/zinc/13/60/62/145136062.db2.gz MLNDXDGDHXEUCY-QWHCGFSZSA-N 1 1 305.378 2.458 10 5 DEBEMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116277240 401847926 /nfs/dbraw/zinc/84/79/26/401847926.db2.gz AAKYOBVWZPQJDB-GXSJLCMTSA-N 1 1 311.769 2.334 10 5 DEBEMO CC[N@@H+](CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000101957274 402159008 /nfs/dbraw/zinc/15/90/08/402159008.db2.gz HFUPQLZZRXSOKN-UHFFFAOYSA-N 1 1 316.361 2.290 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](CO)CC(C)C ZINC000185371299 402347621 /nfs/dbraw/zinc/34/76/21/402347621.db2.gz NAZBBTPXHKXPPE-CQSZACIVSA-N 1 1 323.393 2.181 10 5 DEBEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000160514074 402348683 /nfs/dbraw/zinc/34/86/83/402348683.db2.gz HDYBZAZPAGKYTN-OAHLLOKOSA-N 1 1 319.405 2.374 10 5 DEBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246400298 402529223 /nfs/dbraw/zinc/52/92/23/402529223.db2.gz JJZWGQPFMASPQX-CPUCHLNUSA-N 1 1 319.405 2.308 10 5 DEBEMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000191186058 402649228 /nfs/dbraw/zinc/64/92/28/402649228.db2.gz VKWTVDAWCCDOAO-BMFZPTHFSA-N 1 1 318.373 2.411 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000183397457 402763327 /nfs/dbraw/zinc/76/33/27/402763327.db2.gz JTAUBCNRUBQHGU-AWEZNQCLSA-N 1 1 315.377 2.407 10 5 DEBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000175005537 402770938 /nfs/dbraw/zinc/77/09/38/402770938.db2.gz STEXFXVOZOUWNI-UKRRQHHQSA-N 1 1 303.362 2.294 10 5 DEBEMO Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000268039964 292289321 /nfs/dbraw/zinc/28/93/21/292289321.db2.gz NZXCHTOKPQICJL-CJNGLKHVSA-N 1 1 305.378 2.060 10 5 DEBEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1ccncc1[N+](=O)[O-] ZINC000361015911 404879847 /nfs/dbraw/zinc/87/98/47/404879847.db2.gz WMPCPGWNCSVQLR-CZUORRHYSA-N 1 1 312.373 2.344 10 5 DEBEMO CC[N@@H+]1CCO[C@@H](CNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000134434343 196391505 /nfs/dbraw/zinc/39/15/05/196391505.db2.gz OJZMOUSIMDUVAV-ZDUSSCGKSA-N 1 1 313.785 2.059 10 5 DEBEMO CC[N@H+]1CCO[C@@H](CNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000134434343 196391506 /nfs/dbraw/zinc/39/15/06/196391506.db2.gz OJZMOUSIMDUVAV-ZDUSSCGKSA-N 1 1 313.785 2.059 10 5 DEBEMO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000247153546 274065774 /nfs/dbraw/zinc/06/57/74/274065774.db2.gz XLWDARDVDMVLPJ-PMPSAXMXSA-N 1 1 306.362 2.363 10 5 DEBEMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000247153546 274065775 /nfs/dbraw/zinc/06/57/75/274065775.db2.gz XLWDARDVDMVLPJ-PMPSAXMXSA-N 1 1 306.362 2.363 10 5 DEBEMO CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249760828 521645773 /nfs/dbraw/zinc/64/57/73/521645773.db2.gz LBGSYEIDGIWMOP-OCCSQVGLSA-N 1 1 320.393 2.439 10 5 DEBEMO Cc1c(CC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000245926242 525694097 /nfs/dbraw/zinc/69/40/97/525694097.db2.gz HTUNBQRWIVSJGS-IUODEOHRSA-N 1 1 319.405 2.291 10 5 DEBEMO C/C(=C/C(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752119784 639157596 /nfs/dbraw/zinc/15/75/96/639157596.db2.gz FLFYMHXBMSFCMG-ZVHGMHCTSA-N 1 1 317.389 2.456 10 5 DEBEMO CC[N@H+]1CCC[C@H](NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C1 ZINC000131216377 684198167 /nfs/dbraw/zinc/19/81/67/684198167.db2.gz LRWQIIFKGBIVMW-LBPRGKRZSA-N 1 1 309.341 2.256 10 5 DEBEMO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CO1 ZINC000703313631 1086494225 /nfs/dbraw/zinc/49/42/25/1086494225.db2.gz XMIIYPLFEAMGJU-GFCCVEGCSA-N 1 1 323.349 2.235 10 5 DEBEMO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)s1 ZINC000720410866 1089731875 /nfs/dbraw/zinc/73/18/75/1089731875.db2.gz LARIFVCUOLZWKV-IUCAKERBSA-N 1 1 300.409 2.043 10 5 DEBEMO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@H+]3CCSC[C@@H]23)s1 ZINC000720410866 1089731887 /nfs/dbraw/zinc/73/18/87/1089731887.db2.gz LARIFVCUOLZWKV-IUCAKERBSA-N 1 1 300.409 2.043 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000188748831 200299271 /nfs/dbraw/zinc/29/92/71/200299271.db2.gz NCBXTDRLKKEGDB-AWEZNQCLSA-N 1 1 321.421 2.180 10 5 DEBEMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](C)COC ZINC000094774658 193396272 /nfs/dbraw/zinc/39/62/72/193396272.db2.gz MWHVSFMYZKXFET-LLVKDONJSA-N 1 1 300.330 2.217 10 5 DEBEMO CC[N@H+]1CC[C@H](N(C)c2nc3sccn3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000266202281 205179866 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C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([N@@H+](C)CCCO)CC1 ZINC000115548507 401830945 /nfs/dbraw/zinc/83/09/45/401830945.db2.gz GEXLBHWYWBCVGE-CQSZACIVSA-N 1 1 321.421 2.434 10 5 DEBEMO CC[N@H+]1CCC[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000052594147 402044186 /nfs/dbraw/zinc/04/41/86/402044186.db2.gz ZRBZUPPYGBZQOD-AWEZNQCLSA-N 1 1 320.393 2.221 10 5 DEBEMO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176227399 402292472 /nfs/dbraw/zinc/29/24/72/402292472.db2.gz UTPRMZAEHUCTIP-DZGCQCFKSA-N 1 1 316.361 2.253 10 5 DEBEMO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176227399 402292475 /nfs/dbraw/zinc/29/24/75/402292475.db2.gz UTPRMZAEHUCTIP-DZGCQCFKSA-N 1 1 316.361 2.253 10 5 DEBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000177018410 402359608 /nfs/dbraw/zinc/35/96/08/402359608.db2.gz MCQFAKDDVFQKAV-AWEZNQCLSA-N 1 1 305.378 2.460 10 5 DEBEMO Cc1c(C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000177245488 402385375 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Cc1c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000113233695 401772051 /nfs/dbraw/zinc/77/20/51/401772051.db2.gz TVCWYCDWIFAZKU-AAEUAGOBSA-N 1 1 303.362 2.212 10 5 DEBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000052955247 402049300 /nfs/dbraw/zinc/04/93/00/402049300.db2.gz BEDQNKISWLADJC-LBPRGKRZSA-N 1 1 320.393 2.293 10 5 DEBEMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[N@H+]2CCC[C@H]2C1 ZINC000070198807 402258744 /nfs/dbraw/zinc/25/87/44/402258744.db2.gz CVFNZZSLQLLIHZ-NSHDSACASA-N 1 1 309.753 2.168 10 5 DEBEMO O=[N+]([O-])c1ccn(CC[N@@H+](C[C@@H]2CCCO2)C2CCCC2)n1 ZINC000176266907 402295480 /nfs/dbraw/zinc/29/54/80/402295480.db2.gz QQJXUAFHZFISNU-AWEZNQCLSA-N 1 1 308.382 2.215 10 5 DEBEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000160595527 402353173 /nfs/dbraw/zinc/35/31/73/402353173.db2.gz WRKZKMZBQPYIRB-OAHLLOKOSA-N 1 1 305.378 2.445 10 5 DEBEMO CSc1cccc(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000186893484 402469724 /nfs/dbraw/zinc/46/97/24/402469724.db2.gz XBPLENZIHDNBBD-GHMZBOCLSA-N 1 1 323.418 2.481 10 5 DEBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245574772 402471776 /nfs/dbraw/zinc/47/17/76/402471776.db2.gz ZLJNTNAGSYQLMO-WCQYABFASA-N 1 1 321.381 2.184 10 5 DEBEMO CCOc1cc(N2CC[N@@H+](CCOC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000246527453 402535278 /nfs/dbraw/zinc/53/52/78/402535278.db2.gz WFUTUDRPIIQRFO-ZDUSSCGKSA-N 1 1 323.393 2.150 10 5 DEBEMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000171694178 402610603 /nfs/dbraw/zinc/61/06/03/402610603.db2.gz YTFKNKMWHCQPNJ-NSHDSACASA-N 1 1 309.391 2.361 10 5 DEBEMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000172515789 402660546 /nfs/dbraw/zinc/66/05/46/402660546.db2.gz CIOQNMNGJOZPHQ-LBPRGKRZSA-N 1 1 309.753 2.168 10 5 DEBEMO C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCCO1 ZINC000183120404 402740592 /nfs/dbraw/zinc/74/05/92/402740592.db2.gz LKQMMIWHROCUNH-GXFFZTMASA-N 1 1 318.333 2.302 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ncccn2)CC1 ZINC000183227956 402748668 /nfs/dbraw/zinc/74/86/68/402748668.db2.gz FXMMHJJOEKFBSR-UHFFFAOYSA-N 1 1 313.361 2.015 10 5 DEBEMO Cc1cc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000195077049 402830585 /nfs/dbraw/zinc/83/05/85/402830585.db2.gz MIYYIEWRZHDOFA-AWEZNQCLSA-N 1 1 303.362 2.214 10 5 DEBEMO Cc1cc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000195077049 402830586 /nfs/dbraw/zinc/83/05/86/402830586.db2.gz MIYYIEWRZHDOFA-AWEZNQCLSA-N 1 1 303.362 2.214 10 5 DEBEMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278177976 402861591 /nfs/dbraw/zinc/86/15/91/402861591.db2.gz BKJCXRQWIIZLRP-ABAIWWIYSA-N 1 1 315.377 2.392 10 5 DEBEMO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000301483307 403636112 /nfs/dbraw/zinc/63/61/12/403636112.db2.gz UMPMHLNALVKLIJ-MNOVXSKESA-N 1 1 309.341 2.415 10 5 DEBEMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000132052970 196221797 /nfs/dbraw/zinc/22/17/97/196221797.db2.gz DVCWRIPOLWQBOG-JQWIXIFHSA-N 1 1 309.341 2.289 10 5 DEBEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000246511812 519692922 /nfs/dbraw/zinc/69/29/22/519692922.db2.gz JUGQJLQPXUUQFD-ZWNOBZJWSA-N 1 1 309.341 2.192 10 5 DEBEMO C/C(=C/C(=O)NCCn1cc[nH+]c1C)c1ccc([N+](=O)[O-])cc1 ZINC000751775728 639120396 /nfs/dbraw/zinc/12/03/96/639120396.db2.gz HXRWMTYQHBNSDE-QXMHVHEDSA-N 1 1 314.345 2.319 10 5 DEBEMO C/C(=C\C(=O)NC[C@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000752348226 639174064 /nfs/dbraw/zinc/17/40/64/639174064.db2.gz OWPSAQREYJBWPN-HBIYDYFMSA-N 1 1 303.362 2.209 10 5 DEBEMO COCCOC[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000174115047 646791356 /nfs/dbraw/zinc/79/13/56/646791356.db2.gz OKYYZJJQYNNLGS-LBPRGKRZSA-N 1 1 312.341 2.219 10 5 DEBEMO CN(CC[C@@H]1CCCC[N@H+]1C)c1cc(CO)ccc1[N+](=O)[O-] ZINC000302053386 529930652 /nfs/dbraw/zinc/93/06/52/529930652.db2.gz PPNKCLHJUNGOEG-AWEZNQCLSA-N 1 1 307.394 2.398 10 5 DEBEMO CCc1ccc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000173349275 186179752 /nfs/dbraw/zinc/17/97/52/186179752.db2.gz WYGFBNGIIIGKBI-HNNXBMFYSA-N 1 1 317.389 2.468 10 5 DEBEMO CCc1ccc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000173349275 186179754 /nfs/dbraw/zinc/17/97/54/186179754.db2.gz WYGFBNGIIIGKBI-HNNXBMFYSA-N 1 1 317.389 2.468 10 5 DEBEMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183398865 356170766 /nfs/dbraw/zinc/17/07/66/356170766.db2.gz SKFAVXYALJGRJE-CQSZACIVSA-N 1 1 305.378 2.203 10 5 DEBEMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1(CO)CC1 ZINC000188959891 200328151 /nfs/dbraw/zinc/32/81/51/200328151.db2.gz MCKNVEKVWSYSLJ-UHFFFAOYSA-N 1 1 316.304 2.401 10 5 DEBEMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1(CO)CC1 ZINC000188959891 200328152 /nfs/dbraw/zinc/32/81/52/200328152.db2.gz MCKNVEKVWSYSLJ-UHFFFAOYSA-N 1 1 316.304 2.401 10 5 DEBEMO CO[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@@H]1C ZINC000194827285 201295680 /nfs/dbraw/zinc/29/56/80/201295680.db2.gz PQKSKQUOVMJDLC-HZMBPMFUSA-N 1 1 309.322 2.360 10 5 DEBEMO CO[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@@H]1C ZINC000194827285 201295683 /nfs/dbraw/zinc/29/56/83/201295683.db2.gz PQKSKQUOVMJDLC-HZMBPMFUSA-N 1 1 309.322 2.360 10 5 DEBEMO COC(=O)[C@H]([NH3+])CCSCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633098 193277324 /nfs/dbraw/zinc/27/73/24/193277324.db2.gz FRJXRCSRSQLLLL-SNVBAGLBSA-N 1 1 318.782 2.372 10 5 DEBEMO Cc1cccc([N+](=O)[O-])c1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000267518350 206120868 /nfs/dbraw/zinc/12/08/68/206120868.db2.gz FCUZOOIEHAREGI-UKRRQHHQSA-N 1 1 305.378 2.060 10 5 DEBEMO COc1ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)cc1[N+](=O)[O-] ZINC000105898873 194164139 /nfs/dbraw/zinc/16/41/39/194164139.db2.gz CHUALQWDXKTWOI-ZDUSSCGKSA-N 1 1 317.349 2.032 10 5 DEBEMO COc1ccc(C[N@H+]2CCC[C@H](n3cncn3)C2)cc1[N+](=O)[O-] ZINC000105898873 194164141 /nfs/dbraw/zinc/16/41/41/194164141.db2.gz CHUALQWDXKTWOI-ZDUSSCGKSA-N 1 1 317.349 2.032 10 5 DEBEMO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000270307425 208381630 /nfs/dbraw/zinc/38/16/30/208381630.db2.gz RQRCHRDLCLSFGW-OLZOCXBDSA-N 1 1 301.350 2.186 10 5 DEBEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000155288685 197040922 /nfs/dbraw/zinc/04/09/22/197040922.db2.gz RHRQVZYFGHOYJC-CJNGLKHVSA-N 1 1 319.405 2.372 10 5 DEBEMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246288298 145097366 /nfs/dbraw/zinc/09/73/66/145097366.db2.gz OOCLSUOVSKSPIE-HYVNUMGLSA-N 1 1 319.405 2.187 10 5 DEBEMO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246288298 145097368 /nfs/dbraw/zinc/09/73/68/145097368.db2.gz OOCLSUOVSKSPIE-HYVNUMGLSA-N 1 1 319.405 2.187 10 5 DEBEMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246288298 145097370 /nfs/dbraw/zinc/09/73/70/145097370.db2.gz OOCLSUOVSKSPIE-HYVNUMGLSA-N 1 1 319.405 2.187 10 5 DEBEMO Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000247310530 145132574 /nfs/dbraw/zinc/13/25/74/145132574.db2.gz HLDNVUGOHWISAI-JSGCOSHPSA-N 1 1 305.378 2.458 10 5 DEBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247346578 145133818 /nfs/dbraw/zinc/13/38/18/145133818.db2.gz JKNCIKISEPIEGJ-CMPLNLGQSA-N 1 1 311.407 2.459 10 5 DEBEMO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000127286391 401727481 /nfs/dbraw/zinc/72/74/81/401727481.db2.gz HOCCOTCOFUYYEA-UWVGGRQHSA-N 1 1 311.769 2.413 10 5 DEBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000113231274 401771238 /nfs/dbraw/zinc/77/12/38/401771238.db2.gz JMFCQFPUVPWBGQ-ZYHUDNBSSA-N 1 1 307.325 2.043 10 5 DEBEMO C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000122930380 402102202 /nfs/dbraw/zinc/10/22/02/402102202.db2.gz ZVKRVFORJYWGOQ-OCCSQVGLSA-N 1 1 305.378 2.078 10 5 DEBEMO C[C@H]1C[C@H](N(C)C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000123539963 402132888 /nfs/dbraw/zinc/13/28/88/402132888.db2.gz ZGKZWJRMRGIWLA-CMPLNLGQSA-N 1 1 309.341 2.289 10 5 DEBEMO C[C@@H]1C[C@H](N(C)C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000123539738 402132951 /nfs/dbraw/zinc/13/29/51/402132951.db2.gz ZGKZWJRMRGIWLA-ZYHUDNBSSA-N 1 1 309.341 2.289 10 5 DEBEMO C[C@H]1C[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000124829591 402199236 /nfs/dbraw/zinc/19/92/36/402199236.db2.gz ATXSCKTXQPEZSZ-SWLSCSKDSA-N 1 1 305.378 2.078 10 5 DEBEMO CCO[C@H]1C[C@@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)C12CCCC2 ZINC000176260723 402294994 /nfs/dbraw/zinc/29/49/94/402294994.db2.gz JVERLMOVBCVLFJ-KGLIPLIRSA-N 1 1 322.409 2.461 10 5 DEBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177034815 402362183 /nfs/dbraw/zinc/36/21/83/402362183.db2.gz TZDUFLRMWJEMBR-AWEZNQCLSA-N 1 1 305.378 2.460 10 5 DEBEMO CC(C)NC(=O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178000423 402450918 /nfs/dbraw/zinc/45/09/18/402450918.db2.gz 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307.350 2.033 10 5 DEBEMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1CCCO1 ZINC000170688461 402514596 /nfs/dbraw/zinc/51/45/96/402514596.db2.gz JJOKNDUCRYIUGB-RISCZKNCSA-N 1 1 307.350 2.033 10 5 DEBEMO Cc1c([C@H](C)[NH2+]Cc2cc(C(N)=O)co2)cccc1[N+](=O)[O-] ZINC000187710163 402509257 /nfs/dbraw/zinc/50/92/57/402509257.db2.gz OZZZIVZCGRASKH-JTQLQIEISA-N 1 1 303.318 2.446 10 5 DEBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247282762 402562636 /nfs/dbraw/zinc/56/26/36/402562636.db2.gz FZQSQWDQMZHZQZ-DZGCQCFKSA-N 1 1 319.405 2.326 10 5 DEBEMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247468635 402568093 /nfs/dbraw/zinc/56/80/93/402568093.db2.gz RMRSXIQLGKHLEL-OCCSQVGLSA-N 1 1 303.362 2.212 10 5 DEBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338967748 403302151 /nfs/dbraw/zinc/30/21/51/403302151.db2.gz ULRSFJPPEBUIPI-QNTPUYCNSA-N 1 1 304.346 2.098 10 5 DEBEMO 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307.394 2.137 10 5 DEBEMO CC[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000106116410 194188310 /nfs/dbraw/zinc/18/83/10/194188310.db2.gz PGFYHROIUPFRNS-HNNXBMFYSA-N 1 1 307.394 2.137 10 5 DEBEMO O=[N+]([O-])c1ccc2[nH]c(N3CC[N@H+]4CCCC[C@@H]4C3)nc2c1 ZINC000277356374 285140861 /nfs/dbraw/zinc/14/08/61/285140861.db2.gz AQTXCMFBQUQUNG-GFCCVEGCSA-N 1 1 301.350 2.146 10 5 DEBEMO CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000360396168 133179700 /nfs/dbraw/zinc/17/97/00/133179700.db2.gz RIWCTENIKYHPPS-NSHDSACASA-N 1 1 322.365 2.067 10 5 DEBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247193107 145129042 /nfs/dbraw/zinc/12/90/42/145129042.db2.gz BNGYQZKYOJFNEF-GXTWGEPZSA-N 1 1 305.378 2.397 10 5 DEBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000247213541 145129982 /nfs/dbraw/zinc/12/99/82/145129982.db2.gz CIRHNWKLAUBIBX-QWRGUYRKSA-N 1 1 311.407 2.459 10 5 DEBEMO O=[N+]([O-])c1ccc(OCCN2CC[N@H+]3CCCC[C@H]3C2)cc1 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CC[N@H+]1CCC[C@H]1CN(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000177034784 402361356 /nfs/dbraw/zinc/36/13/56/402361356.db2.gz YCKDXTMSEZQQLK-HNNXBMFYSA-N 1 1 305.378 2.080 10 5 DEBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000177034769 402361394 /nfs/dbraw/zinc/36/13/94/402361394.db2.gz YCKDXTMSEZQQLK-OAHLLOKOSA-N 1 1 305.378 2.080 10 5 DEBEMO C[C@@H]1CC[C@@](CO)([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000187983041 402514346 /nfs/dbraw/zinc/51/43/46/402514346.db2.gz LFAGCWIEMLJHLY-CZUORRHYSA-N 1 1 308.378 2.457 10 5 DEBEMO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000247016648 402553665 /nfs/dbraw/zinc/55/36/65/402553665.db2.gz UOCKHQKWSXXCJP-IXDOHACOSA-N 1 1 320.389 2.406 10 5 DEBEMO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248835122 402610548 /nfs/dbraw/zinc/61/05/48/402610548.db2.gz NUJBYWGPOZJAES-QWHCGFSZSA-N 1 1 305.378 2.458 10 5 DEBEMO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000194752019 402814547 /nfs/dbraw/zinc/81/45/47/402814547.db2.gz NUJBYWGPOZJAES-CHWSQXEVSA-N 1 1 305.378 2.458 10 5 DEBEMO CC[N@H+]1CC[C@H]2OCCN(c3cc(C)c([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000292688676 403374406 /nfs/dbraw/zinc/37/44/06/403374406.db2.gz FFTOLJMHUSPCFN-JKSUJKDBSA-N 1 1 323.368 2.342 10 5 DEBEMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000408068171 405103143 /nfs/dbraw/zinc/10/31/43/405103143.db2.gz HJCXXDRNGSBRBB-QWRGUYRKSA-N 1 1 316.361 2.241 10 5 DEBEMO Cc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247451225 526215432 /nfs/dbraw/zinc/21/54/32/526215432.db2.gz SSMZUBHSLIOOHH-OCCSQVGLSA-N 1 1 305.378 2.362 10 5 DEBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193640047 535022885 /nfs/dbraw/zinc/02/28/85/535022885.db2.gz SQCZIPDCBJEHSW-GASCZTMLSA-N 1 1 319.405 2.375 10 5 DEBEMO C/C(=C/C(=O)NC[C@H]1CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000750806758 639028952 /nfs/dbraw/zinc/02/89/52/639028952.db2.gz FYSDSVRMCKTMFP-KIWPFMIBSA-N 1 1 303.362 2.066 10 5 DEBEMO C[C@@H]1[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000719622559 1089330429 /nfs/dbraw/zinc/33/04/29/1089330429.db2.gz GQJOAUIXFJVMPC-VXNVDRBHSA-N 1 1 315.171 2.257 10 5 DEBEMO CC[C@H](NC(=O)NC[C@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000090551850 185302634 /nfs/dbraw/zinc/30/26/34/185302634.db2.gz WJMQMKFFAHPYSP-CABCVRRESA-N 1 1 320.393 2.439 10 5 DEBEMO O=[N+]([O-])c1cnc(NCCc2[nH]cc[nH+]2)c(Br)c1 ZINC000139969801 186025120 /nfs/dbraw/zinc/02/51/20/186025120.db2.gz LPIMNUVTXUVKRH-UHFFFAOYSA-N 1 1 312.127 2.130 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155708659 186104781 /nfs/dbraw/zinc/10/47/81/186104781.db2.gz UMADYQWQXGKBKR-WFASDCNBSA-N 1 1 305.378 2.362 10 5 DEBEMO CCc1ccc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000173349260 186179764 /nfs/dbraw/zinc/17/97/64/186179764.db2.gz WYGFBNGIIIGKBI-OAHLLOKOSA-N 1 1 317.389 2.468 10 5 DEBEMO CCc1ccc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000173349260 186179765 /nfs/dbraw/zinc/17/97/65/186179765.db2.gz WYGFBNGIIIGKBI-OAHLLOKOSA-N 1 1 317.389 2.468 10 5 DEBEMO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000588820298 357426323 /nfs/dbraw/zinc/42/63/23/357426323.db2.gz VRLIPPHVWNQHQM-AAEUAGOBSA-N 1 1 307.398 2.183 10 5 DEBEMO CCOc1ccc(C(=O)N2CC[N@H+](CC)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000611087748 361523726 /nfs/dbraw/zinc/52/37/26/361523726.db2.gz HATFQLUABNQDFD-LBPRGKRZSA-N 1 1 321.377 2.160 10 5 DEBEMO CCOc1ccc(C(=O)N2CC[N@@H+](CC)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000611087748 361523732 /nfs/dbraw/zinc/52/37/32/361523732.db2.gz HATFQLUABNQDFD-LBPRGKRZSA-N 1 1 321.377 2.160 10 5 DEBEMO Cc1ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000093611733 193274460 /nfs/dbraw/zinc/27/44/60/193274460.db2.gz JYTXRWLMTLICGN-LBPRGKRZSA-N 1 1 304.268 2.402 10 5 DEBEMO Cc1ccc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000093611733 193274462 /nfs/dbraw/zinc/27/44/62/193274462.db2.gz JYTXRWLMTLICGN-LBPRGKRZSA-N 1 1 304.268 2.402 10 5 DEBEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1c1ncnc(Cl)c1[N+](=O)[O-] ZINC000094442784 193369876 /nfs/dbraw/zinc/36/98/76/193369876.db2.gz CDCPMTZGIKEFIF-NXEZZACHSA-N 1 1 311.773 2.101 10 5 DEBEMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000105883036 194155541 /nfs/dbraw/zinc/15/55/41/194155541.db2.gz UIXFMRSXDIMFMN-CQSZACIVSA-N 1 1 301.350 2.099 10 5 DEBEMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105883283 194155884 /nfs/dbraw/zinc/15/58/84/194155884.db2.gz ZDGBMSVCYZMWIF-CYBMUJFWSA-N 1 1 301.350 2.099 10 5 DEBEMO COC(=O)[C@H]([NH3+])CCOc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000062595559 184244136 /nfs/dbraw/zinc/24/41/36/184244136.db2.gz XUOCNHIKTOLVLU-SECBINFHSA-N 1 1 323.132 2.171 10 5 DEBEMO CC(=O)c1ccc(N[C@@H]2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c1 ZINC000357583652 133086524 /nfs/dbraw/zinc/08/65/24/133086524.db2.gz RLAUZGQQZJZRJJ-LLVKDONJSA-N 1 1 300.318 2.490 10 5 DEBEMO CC(=O)c1ccc(N[C@@H]2CCc3[nH]c[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000357583652 133086525 /nfs/dbraw/zinc/08/65/25/133086525.db2.gz RLAUZGQQZJZRJJ-LLVKDONJSA-N 1 1 300.318 2.490 10 5 DEBEMO Cc1c(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000246415683 145101965 /nfs/dbraw/zinc/10/19/65/145101965.db2.gz KGJLFOHKAJDABL-DYVFJYSZSA-N 1 1 319.405 2.056 10 5 DEBEMO O=[N+]([O-])c1ccccc1OCCN1CC[N@H+]2CCCC[C@H]2C1 ZINC000248358279 145152108 /nfs/dbraw/zinc/15/21/08/145152108.db2.gz QPUIMWIGYGPENY-AWEZNQCLSA-N 1 1 305.378 2.144 10 5 DEBEMO Cc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000113233346 401772364 /nfs/dbraw/zinc/77/23/64/401772364.db2.gz HPHPOBAVRKFEKE-GXTWGEPZSA-N 1 1 303.362 2.212 10 5 DEBEMO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037989907 401919648 /nfs/dbraw/zinc/91/96/48/401919648.db2.gz JJKVMFSEFREQQB-LLVKDONJSA-N 1 1 309.753 2.168 10 5 DEBEMO C[C@@H]1C[C@@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)CCN1C ZINC000123878948 402151514 /nfs/dbraw/zinc/15/15/14/402151514.db2.gz UHIJASXSQHNIKP-KGLIPLIRSA-N 1 1 307.394 2.388 10 5 DEBEMO C[C@@H]1C[C@@H](N(C)CCOc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123878948 402151515 /nfs/dbraw/zinc/15/15/15/402151515.db2.gz UHIJASXSQHNIKP-KGLIPLIRSA-N 1 1 307.394 2.388 10 5 DEBEMO C[C@@H]1C[C@@H](N(C)CCOc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000123878948 402151517 /nfs/dbraw/zinc/15/15/17/402151517.db2.gz UHIJASXSQHNIKP-KGLIPLIRSA-N 1 1 307.394 2.388 10 5 DEBEMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000071189291 402271120 /nfs/dbraw/zinc/27/11/20/402271120.db2.gz SNFIXPDDFZKEFW-SNVBAGLBSA-N 1 1 311.769 2.272 10 5 DEBEMO CC[N@H+]1CC[C@@H](CNC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000185425128 402351419 /nfs/dbraw/zinc/35/14/19/402351419.db2.gz MGZHPVNGRHRYIX-VOMSXAGXSA-N 1 1 317.389 2.456 10 5 DEBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000176974262 402355824 /nfs/dbraw/zinc/35/58/24/402355824.db2.gz BLEWGGKGBJYJTJ-AWEZNQCLSA-N 1 1 305.378 2.080 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247532502 402571419 /nfs/dbraw/zinc/57/14/19/402571419.db2.gz XQAZQPHMQISOKS-TZMCWYRMSA-N 1 1 303.362 2.212 10 5 DEBEMO C[C@H]1CC[C@](CO)([N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000188001604 402514890 /nfs/dbraw/zinc/51/48/90/402514890.db2.gz MCBXWCNOHXVTTI-LRDDRELGSA-N 1 1 321.377 2.016 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2cccnn2)CC1 ZINC000183314687 402755708 /nfs/dbraw/zinc/75/57/08/402755708.db2.gz GDSYJFREPHHOGY-UHFFFAOYSA-N 1 1 313.361 2.015 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000183389695 402762341 /nfs/dbraw/zinc/76/23/41/402762341.db2.gz HESBYEIXDHSOEN-WMLDXEAASA-N 1 1 319.405 2.056 10 5 DEBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000175026111 402772367 /nfs/dbraw/zinc/77/23/67/402772367.db2.gz BHDBLSWECMGHFX-VXGBXAGGSA-N 1 1 309.391 2.355 10 5 DEBEMO CC[N@H+]1CCC[C@H]1CN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000175347290 402798905 /nfs/dbraw/zinc/79/89/05/402798905.db2.gz JWERSIDQHQMBJQ-HNNXBMFYSA-N 1 1 307.394 2.390 10 5 DEBEMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000280276941 402982732 /nfs/dbraw/zinc/98/27/32/402982732.db2.gz QBKXWDXJSCJBMG-YPKPFQOOSA-N 1 1 315.373 2.376 10 5 DEBEMO C[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000408111762 405115142 /nfs/dbraw/zinc/11/51/42/405115142.db2.gz DYKSLFCDMXNNFD-VIFPVBQESA-N 1 1 312.757 2.416 10 5 DEBEMO C[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000408111762 405115146 /nfs/dbraw/zinc/11/51/46/405115146.db2.gz DYKSLFCDMXNNFD-VIFPVBQESA-N 1 1 312.757 2.416 10 5 DEBEMO Cc1cccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000246731915 524214135 /nfs/dbraw/zinc/21/41/35/524214135.db2.gz APAOPNPTUWEDPC-OCCSQVGLSA-N 1 1 305.378 2.362 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247461977 525563940 /nfs/dbraw/zinc/56/39/40/525563940.db2.gz UMADYQWQXGKBKR-DOMZBBRYSA-N 1 1 305.378 2.362 10 5 DEBEMO Cc1c(C(=O)OCC[NH+]2CCSCC2)cccc1[N+](=O)[O-] ZINC000127723324 624891787 /nfs/dbraw/zinc/89/17/87/624891787.db2.gz PUAVTQPHHASOGS-UHFFFAOYSA-N 1 1 310.375 2.109 10 5 DEBEMO C/C(=C\C(=O)NCC[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000751495600 639086849 /nfs/dbraw/zinc/08/68/49/639086849.db2.gz SYOMKIGXFWJVDG-VAWYXSNFSA-N 1 1 303.362 2.209 10 5 DEBEMO Cc1c(C[NH+]2CCN(c3cccnn3)CC2)cccc1[N+](=O)[O-] ZINC000170649078 197800368 /nfs/dbraw/zinc/80/03/68/197800368.db2.gz PHOHNJKZBOFWIN-UHFFFAOYSA-N 1 1 313.361 2.015 10 5 DEBEMO C[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)[NH+]1C ZINC000141954354 186031276 /nfs/dbraw/zinc/03/12/76/186031276.db2.gz PMVZSHISEJEEKZ-UWVGGRQHSA-N 1 1 311.769 2.413 10 5 DEBEMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[NH+]1C ZINC000141956194 186031573 /nfs/dbraw/zinc/03/15/73/186031573.db2.gz LDKDVBXLROBKTQ-UWVGGRQHSA-N 1 1 311.769 2.413 10 5 DEBEMO 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ZINC000175998961 402847165 /nfs/dbraw/zinc/84/71/65/402847165.db2.gz WJMQMKFFAHPYSP-HUUCEWRRSA-N 1 1 320.393 2.439 10 5 DEBEMO CC1=CC[N@@H+](CCNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000358340569 424822014 /nfs/dbraw/zinc/82/20/14/424822014.db2.gz GDLIJDBRZQKXPC-UHFFFAOYSA-N 1 1 313.361 2.602 10 5 DEBEMO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000248873209 277374947 /nfs/dbraw/zinc/37/49/47/277374947.db2.gz VKWTVDAWCCDOAO-BPUTZDHNSA-N 1 1 318.373 2.411 10 5 DEBEMO Cc1nn(CN2CCC[C@H]2Cn2cc[nH+]c2C)c(C)c1[N+](=O)[O-] ZINC000176076959 624661357 /nfs/dbraw/zinc/66/13/57/624661357.db2.gz BSMSBEHGPXKDHQ-AWEZNQCLSA-N 1 1 318.381 2.035 10 5 DEBEMO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)s1 ZINC000720410864 1089732625 /nfs/dbraw/zinc/73/26/25/1089732625.db2.gz LARIFVCUOLZWKV-DTWKUNHWSA-N 1 1 300.409 2.043 10 5 DEBEMO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@H+]3CCSC[C@H]23)s1 ZINC000720410864 1089732632 /nfs/dbraw/zinc/73/26/32/1089732632.db2.gz LARIFVCUOLZWKV-DTWKUNHWSA-N 1 1 300.409 2.043 10 5 DEBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000177380717 282205992 /nfs/dbraw/zinc/20/59/92/282205992.db2.gz QQEQCKMRTNUUMR-OAHLLOKOSA-N 1 1 320.393 2.221 10 5 DEBEMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000172120094 198042292 /nfs/dbraw/zinc/04/22/92/198042292.db2.gz DAXJRCKXOJKHSK-CYBMUJFWSA-N 1 1 323.780 2.097 10 5 DEBEMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042428652 183269568 /nfs/dbraw/zinc/26/95/68/183269568.db2.gz DFQXFAXMRWSFEA-GXSJLCMTSA-N 1 1 311.769 2.334 10 5 DEBEMO CCOc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC)C2)cc1[N+](=O)[O-] ZINC000060416581 184149308 /nfs/dbraw/zinc/14/93/08/184149308.db2.gz VFBLYGSEYQCJJK-ZDUSSCGKSA-N 1 1 321.377 2.208 10 5 DEBEMO CCOCC[N@H+]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000120875114 195255327 /nfs/dbraw/zinc/25/53/27/195255327.db2.gz GRAJUMWQNVMUCS-HNNXBMFYSA-N 1 1 321.421 2.446 10 5 DEBEMO Cc1cc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000195077034 132544195 /nfs/dbraw/zinc/54/41/95/132544195.db2.gz MIYYIEWRZHDOFA-CQSZACIVSA-N 1 1 303.362 2.214 10 5 DEBEMO Cc1cc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000195077034 132544196 /nfs/dbraw/zinc/54/41/96/132544196.db2.gz MIYYIEWRZHDOFA-CQSZACIVSA-N 1 1 303.362 2.214 10 5 DEBEMO O=[N+]([O-])c1ccc2oc(CN3CC[N@H+]4CCC[C@H]4C3)nc2c1 ZINC000246628452 145108582 /nfs/dbraw/zinc/10/85/82/145108582.db2.gz ZFJFPQCAYSBELG-LBPRGKRZSA-N 1 1 302.334 2.016 10 5 DEBEMO CCOCC[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000247552665 145140943 /nfs/dbraw/zinc/14/09/43/145140943.db2.gz FDXYFYFGDQDWLM-CQSZACIVSA-N 1 1 307.394 2.137 10 5 DEBEMO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000127199876 401724350 /nfs/dbraw/zinc/72/43/50/401724350.db2.gz GTZHFXXSCWTRHK-AOOOYVTPSA-N 1 1 311.769 2.413 10 5 DEBEMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000127199876 401724352 /nfs/dbraw/zinc/72/43/52/401724352.db2.gz GTZHFXXSCWTRHK-AOOOYVTPSA-N 1 1 311.769 2.413 10 5 DEBEMO Cn1cc([C@@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000116317418 401849093 /nfs/dbraw/zinc/84/90/93/401849093.db2.gz MTNJCWXWTDNOSY-CQSZACIVSA-N 1 1 300.362 2.360 10 5 DEBEMO CCOC(=O)c1ccnc(N[C@@H]2CCC[N@@H+](CC)C2)c1[N+](=O)[O-] ZINC000133441968 401886214 /nfs/dbraw/zinc/88/62/14/401886214.db2.gz XUSQSZGTMGQCKU-LLVKDONJSA-N 1 1 322.365 2.063 10 5 DEBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134351011 401902093 /nfs/dbraw/zinc/90/20/93/401902093.db2.gz OFRZOSBFNSKYKL-ZYHUDNBSSA-N 1 1 307.325 2.043 10 5 DEBEMO C[C@@H](CO)[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000122350882 402074431 /nfs/dbraw/zinc/07/44/31/402074431.db2.gz JXWKAIDUUABEKM-QMMMGPOBSA-N 1 1 303.156 2.170 10 5 DEBEMO COc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123178943 402114830 /nfs/dbraw/zinc/11/48/30/402114830.db2.gz MIFIDXNXIPDBAG-YPMHNXCESA-N 1 1 321.377 2.158 10 5 DEBEMO Cc1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000123400451 402125960 /nfs/dbraw/zinc/12/59/60/402125960.db2.gz BGSDMZIBINRIME-CHWSQXEVSA-N 1 1 305.378 2.458 10 5 DEBEMO Cc1sc(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000154040681 402188521 /nfs/dbraw/zinc/18/85/21/402188521.db2.gz TURZOPSRBAEPGP-LBPRGKRZSA-N 1 1 311.407 2.377 10 5 DEBEMO Cc1sc(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000154040681 402188524 /nfs/dbraw/zinc/18/85/24/402188524.db2.gz TURZOPSRBAEPGP-LBPRGKRZSA-N 1 1 311.407 2.377 10 5 DEBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160478106 402346788 /nfs/dbraw/zinc/34/67/88/402346788.db2.gz RCYRCEDCDMBTAW-CYBMUJFWSA-N 1 1 320.393 2.148 10 5 DEBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177034803 402362409 /nfs/dbraw/zinc/36/24/09/402362409.db2.gz TZDUFLRMWJEMBR-CQSZACIVSA-N 1 1 305.378 2.460 10 5 DEBEMO O=[N+]([O-])c1ccc(OCCCN2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000178635349 402520293 /nfs/dbraw/zinc/52/02/93/402520293.db2.gz JAKHALCGQRFUJX-OAHLLOKOSA-N 1 1 305.378 2.144 10 5 DEBEMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000171705833 402612477 /nfs/dbraw/zinc/61/24/77/402612477.db2.gz NQTXPEDJNNDMPF-HNNXBMFYSA-N 1 1 301.350 2.066 10 5 DEBEMO CC(=O)N[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255106138 402678855 /nfs/dbraw/zinc/67/88/55/402678855.db2.gz XPXNLUSZSBIASA-IJVDHGTGSA-N 1 1 303.362 2.209 10 5 DEBEMO CC(=O)N[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255106138 402678856 /nfs/dbraw/zinc/67/88/56/402678856.db2.gz XPXNLUSZSBIASA-IJVDHGTGSA-N 1 1 303.362 2.209 10 5 DEBEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000255390279 402686785 /nfs/dbraw/zinc/68/67/85/402686785.db2.gz CMNXQISERMRHJF-XHTKRDSESA-N 1 1 317.389 2.453 10 5 DEBEMO CC(C)[N@H+]1CC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000263705746 402793369 /nfs/dbraw/zinc/79/33/69/402793369.db2.gz MHPHZGDGNLBAGY-GFCCVEGCSA-N 1 1 318.377 2.374 10 5 DEBEMO Cc1ccc(N2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000301711417 403667816 /nfs/dbraw/zinc/66/78/16/403667816.db2.gz IBVQJDPBINSXFK-LSDHHAIUSA-N 1 1 319.405 2.329 10 5 DEBEMO CCOc1ccc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000358135180 404754886 /nfs/dbraw/zinc/75/48/86/404754886.db2.gz URFDHGNJYVKCFP-GFCCVEGCSA-N 1 1 323.393 2.452 10 5 DEBEMO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000407990898 405084927 /nfs/dbraw/zinc/08/49/27/405084927.db2.gz QXYXMMJPSMDHFX-JSGCOSHPSA-N 1 1 305.378 2.359 10 5 DEBEMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000407990898 405084933 /nfs/dbraw/zinc/08/49/33/405084933.db2.gz QXYXMMJPSMDHFX-JSGCOSHPSA-N 1 1 305.378 2.359 10 5 DEBEMO Cc1c(CC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000129751831 196073374 /nfs/dbraw/zinc/07/33/74/196073374.db2.gz HTUNBQRWIVSJGS-SWLSCSKDSA-N 1 1 319.405 2.291 10 5 DEBEMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000195322421 424882180 /nfs/dbraw/zinc/88/21/80/424882180.db2.gz NRVSKWHYYFHMAI-LLVKDONJSA-N 1 1 321.402 2.237 10 5 DEBEMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000120973825 275039932 /nfs/dbraw/zinc/03/99/32/275039932.db2.gz DWBPSPQLOXQQTD-LLCTXKFZSA-N 1 1 317.389 2.015 10 5 DEBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000246509215 281198454 /nfs/dbraw/zinc/19/84/54/281198454.db2.gz GIZYSCXWYHWHFV-STQMWFEESA-N 1 1 303.362 2.294 10 5 DEBEMO CCO[C@@H]1C[C@H]([N@H+](C)Cn2cc([N+](=O)[O-])cn2)C12CCCC2 ZINC000156505075 646430074 /nfs/dbraw/zinc/43/00/74/646430074.db2.gz LXEQGOQBZOPRBF-UONOGXRCSA-N 1 1 308.382 2.418 10 5 DEBEMO CCO[C@@H]1C[C@H]([N@@H+](C)Cn2cc([N+](=O)[O-])cn2)C12CCCC2 ZINC000156505075 646430075 /nfs/dbraw/zinc/43/00/75/646430075.db2.gz LXEQGOQBZOPRBF-UONOGXRCSA-N 1 1 308.382 2.418 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000153717354 282173369 /nfs/dbraw/zinc/17/33/69/282173369.db2.gz UOTNWTYMNHCAOG-HNNXBMFYSA-N 1 1 305.378 2.315 10 5 DEBEMO CCC[C@H]([NH2+][C@H]1C=CS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000088854532 185267333 /nfs/dbraw/zinc/26/73/33/185267333.db2.gz IWCWTBDZKYJQMG-JSGCOSHPSA-N 1 1 310.375 2.336 10 5 DEBEMO Cc1c(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000171886483 198001382 /nfs/dbraw/zinc/00/13/82/198001382.db2.gz GYYXSCPIQASVEE-GFCCVEGCSA-N 1 1 304.350 2.215 10 5 DEBEMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCCC23CCC3)c1 ZINC000373100525 283141192 /nfs/dbraw/zinc/14/11/92/283141192.db2.gz SDGXKTUBXNDIAM-AWEZNQCLSA-N 1 1 306.362 2.353 10 5 DEBEMO CCOC(=O)[C@H]([NH3+])CSCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633094 193277421 /nfs/dbraw/zinc/27/74/21/193277421.db2.gz SVBQYDIKWRGAOL-SNVBAGLBSA-N 1 1 318.782 2.372 10 5 DEBEMO O=[N+]([O-])c1cccc(C[N@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000105798470 194130683 /nfs/dbraw/zinc/13/06/83/194130683.db2.gz AITUYBRRKOYGIA-UHFFFAOYSA-N 1 1 313.361 2.097 10 5 DEBEMO CCOCC[N@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000105835410 194141694 /nfs/dbraw/zinc/14/16/94/194141694.db2.gz BJIKKMFESLDXQP-HNNXBMFYSA-N 1 1 321.421 2.180 10 5 DEBEMO CCOCCN1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000105835410 194141697 /nfs/dbraw/zinc/14/16/97/194141697.db2.gz BJIKKMFESLDXQP-HNNXBMFYSA-N 1 1 321.421 2.180 10 5 DEBEMO CCOCCN1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000105835410 194141700 /nfs/dbraw/zinc/14/17/00/194141700.db2.gz BJIKKMFESLDXQP-HNNXBMFYSA-N 1 1 321.421 2.180 10 5 DEBEMO O=[N+]([O-])c1ccc(CO)cc1N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000302024311 285116434 /nfs/dbraw/zinc/11/64/34/285116434.db2.gz HAVPVKPZOYLNOO-RRFJBIMHSA-N 1 1 317.389 2.008 10 5 DEBEMO Cc1sc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000120790184 195238584 /nfs/dbraw/zinc/23/85/84/195238584.db2.gz OBBVLSYXXVWEIA-ONGXEEELSA-N 1 1 311.407 2.377 10 5 DEBEMO O=[N+]([O-])c1ccc2oc(CN3CC[N@H+]4CCCC[C@H]4C3)nc2c1 ZINC000246299022 145098309 /nfs/dbraw/zinc/09/83/09/145098309.db2.gz BQVXCJFVXBISAY-ZDUSSCGKSA-N 1 1 316.361 2.406 10 5 DEBEMO Cc1sc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000113228857 401771851 /nfs/dbraw/zinc/77/18/51/401771851.db2.gz ZSDQRORKAMYGIB-GXSJLCMTSA-N 1 1 309.391 2.273 10 5 DEBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000113367326 401777434 /nfs/dbraw/zinc/77/74/34/401777434.db2.gz QITVYANZKZDNJV-SMDDNHRTSA-N 1 1 304.350 2.295 10 5 DEBEMO Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123932355 402154788 /nfs/dbraw/zinc/15/47/88/402154788.db2.gz HLDNVUGOHWISAI-OCCSQVGLSA-N 1 1 305.378 2.458 10 5 DEBEMO CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000185074371 402322334 /nfs/dbraw/zinc/32/23/34/402322334.db2.gz VUUHBSOVYJDVKZ-NWDGAFQWSA-N 1 1 323.368 2.438 10 5 DEBEMO CCO[C@@H]1C[C@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)C12CCCC2 ZINC000176260678 402295161 /nfs/dbraw/zinc/29/51/61/402295161.db2.gz JVERLMOVBCVLFJ-UONOGXRCSA-N 1 1 322.409 2.461 10 5 DEBEMO COc1cccc(NC2CC[NH+](CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000185172666 402330491 /nfs/dbraw/zinc/33/04/91/402330491.db2.gz JEZFFPBAHUALDZ-UHFFFAOYSA-N 1 1 322.409 2.041 10 5 DEBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000162073693 402408526 /nfs/dbraw/zinc/40/85/26/402408526.db2.gz LBFIHIPWLHMMOP-ZDUSSCGKSA-N 1 1 320.393 2.006 10 5 DEBEMO CC[N@H+]1CCC[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000194650449 402808069 /nfs/dbraw/zinc/80/80/69/402808069.db2.gz ZDTXHYOUWYOEEW-GFCCVEGCSA-N 1 1 323.418 2.287 10 5 DEBEMO CC(=O)c1cc(NCCCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000339975388 403512328 /nfs/dbraw/zinc/51/23/28/403512328.db2.gz IKPMGOHAIKMKNU-UHFFFAOYSA-N 1 1 321.377 2.322 10 5 DEBEMO CC1CCC(O)(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CC1 ZINC000408198734 405136629 /nfs/dbraw/zinc/13/66/29/405136629.db2.gz OKOQSKJVMLSZMO-UHFFFAOYSA-N 1 1 305.378 2.289 10 5 DEBEMO CC1CCC(O)(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CC1 ZINC000408198734 405136636 /nfs/dbraw/zinc/13/66/36/405136636.db2.gz OKOQSKJVMLSZMO-UHFFFAOYSA-N 1 1 305.378 2.289 10 5 DEBEMO COc1cc(C[N@H+](C)CCCO)c([N+](=O)[O-])cc1OC(F)F ZINC000440941892 405331904 /nfs/dbraw/zinc/33/19/04/405331904.db2.gz SLOJOFJWHQESEC-UHFFFAOYSA-N 1 1 320.292 2.019 10 5 DEBEMO COc1cc(C[N@@H+](C)CCCO)c([N+](=O)[O-])cc1OC(F)F ZINC000440941892 405331905 /nfs/dbraw/zinc/33/19/05/405331905.db2.gz SLOJOFJWHQESEC-UHFFFAOYSA-N 1 1 320.292 2.019 10 5 DEBEMO CC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000389307797 336022995 /nfs/dbraw/zinc/02/29/95/336022995.db2.gz DQLNBTNDYLHRQG-MRVPVSSYSA-N 1 1 315.171 2.258 10 5 DEBEMO CC[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000389307797 336022996 /nfs/dbraw/zinc/02/29/96/336022996.db2.gz DQLNBTNDYLHRQG-MRVPVSSYSA-N 1 1 315.171 2.258 10 5 DEBEMO C/C(=C/C(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752041153 639149317 /nfs/dbraw/zinc/14/93/17/639149317.db2.gz MIDBOGDAAIBGHX-GAJOTYCWSA-N 1 1 303.362 2.209 10 5 DEBEMO C/C(=C/C(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752119782 639157718 /nfs/dbraw/zinc/15/77/18/639157718.db2.gz FLFYMHXBMSFCMG-QLKUMGTLSA-N 1 1 317.389 2.456 10 5 DEBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000247216608 685143720 /nfs/dbraw/zinc/14/37/20/685143720.db2.gz XHNKOGYFLCSIFT-DOMZBBRYSA-N 1 1 315.377 2.071 10 5 DEBEMO C[C@@H]1CC[C@H](C)[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181934630 199365418 /nfs/dbraw/zinc/36/54/18/199365418.db2.gz OIFLBULXTMATOX-RDBSUJKOSA-N 1 1 308.378 2.455 10 5 DEBEMO CC[N@H+]1CCC[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000149232335 186048304 /nfs/dbraw/zinc/04/83/04/186048304.db2.gz SAXXZAIMALHNCS-JTQLQIEISA-N 1 1 311.769 2.462 10 5 DEBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCCN1CCN(C)CC1 ZINC000174719067 198375170 /nfs/dbraw/zinc/37/51/70/198375170.db2.gz UXDIEXMYZFDQSS-OAHLLOKOSA-N 1 1 320.437 2.225 10 5 DEBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCN1CCN(C)CC1 ZINC000174719067 198375172 /nfs/dbraw/zinc/37/51/72/198375172.db2.gz UXDIEXMYZFDQSS-OAHLLOKOSA-N 1 1 320.437 2.225 10 5 DEBEMO O=[N+]([O-])c1cc(F)cnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000401188773 356725416 /nfs/dbraw/zinc/72/54/16/356725416.db2.gz OUBVFOVYPUMLQY-UHFFFAOYSA-N 1 1 316.336 2.451 10 5 DEBEMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000179551913 199054496 /nfs/dbraw/zinc/05/44/96/199054496.db2.gz BZFBBAKKPZTHBS-CQSZACIVSA-N 1 1 317.389 2.440 10 5 DEBEMO CC(C)(C[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])S(C)(=O)=O ZINC000093519705 193263237 /nfs/dbraw/zinc/26/32/37/193263237.db2.gz XQNOFQAFXIBYDO-UHFFFAOYSA-N 1 1 320.798 2.161 10 5 DEBEMO CC[N@H+]1CCC[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000040690998 183118737 /nfs/dbraw/zinc/11/87/37/183118737.db2.gz WEWHJCRUMXZGRQ-NSHDSACASA-N 1 1 311.769 2.462 10 5 DEBEMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042428650 183269141 /nfs/dbraw/zinc/26/91/41/183269141.db2.gz DFQXFAXMRWSFEA-ONGXEEELSA-N 1 1 311.769 2.334 10 5 DEBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)[C@@H](C)C1 ZINC000247406153 145136018 /nfs/dbraw/zinc/13/60/18/145136018.db2.gz MYCDFIISYQGHEB-NHYWBVRUSA-N 1 1 320.393 2.101 10 5 DEBEMO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2C)CC[N@H+]1C[C@H](C)O ZINC000248638323 145162598 /nfs/dbraw/zinc/16/25/98/145162598.db2.gz QUDXGIKZOYEDQP-HOCLYGCPSA-N 1 1 321.421 2.180 10 5 DEBEMO Cc1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000113233344 401772390 /nfs/dbraw/zinc/77/23/90/401772390.db2.gz HPHPOBAVRKFEKE-JSGCOSHPSA-N 1 1 303.362 2.212 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000119053485 401921984 /nfs/dbraw/zinc/92/19/84/401921984.db2.gz BHDLAPSVVDXGAT-XJKSGUPXSA-N 1 1 317.389 2.460 10 5 DEBEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000150856728 402000553 /nfs/dbraw/zinc/00/05/53/402000553.db2.gz JETPPYYKEVUAAZ-RISCZKNCSA-N 1 1 306.366 2.445 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000124594572 402187578 /nfs/dbraw/zinc/18/75/78/402187578.db2.gz PSNVWSQNBZBRBM-OLZOCXBDSA-N 1 1 305.378 2.458 10 5 DEBEMO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000124626200 402188721 /nfs/dbraw/zinc/18/87/21/402188721.db2.gz JADXZNQAFYUYQL-TZMCWYRMSA-N 1 1 305.378 2.458 10 5 DEBEMO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000168601942 402497325 /nfs/dbraw/zinc/49/73/25/402497325.db2.gz FMDOZONMKRCVEQ-NSHDSACASA-N 1 1 309.753 2.168 10 5 DEBEMO C[C@H]1CC[C@@](CO)([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000187987833 402515062 /nfs/dbraw/zinc/51/50/62/402515062.db2.gz NTQPQXZUJPETRD-XJKSGUPXSA-N 1 1 308.378 2.457 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000183276276 402752483 /nfs/dbraw/zinc/75/24/83/402752483.db2.gz PPQSOIBLTCYRJP-OAHLLOKOSA-N 1 1 303.362 2.146 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000183276276 402752484 /nfs/dbraw/zinc/75/24/84/402752484.db2.gz PPQSOIBLTCYRJP-OAHLLOKOSA-N 1 1 303.362 2.146 10 5 DEBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000175437609 402806288 /nfs/dbraw/zinc/80/62/88/402806288.db2.gz GIZYSCXWYHWHFV-CHWSQXEVSA-N 1 1 303.362 2.294 10 5 DEBEMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000273331032 402995106 /nfs/dbraw/zinc/99/51/06/402995106.db2.gz SLUKEDSNGUZAGW-BRADTZPFSA-N 1 1 303.362 2.066 10 5 DEBEMO COc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000270603128 403204517 /nfs/dbraw/zinc/20/45/17/403204517.db2.gz YKJVRXHYUIHOEG-LLVKDONJSA-N 1 1 309.341 2.417 10 5 DEBEMO COc1cc(N2CC[N@H+]3CCCC[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000270603128 403204520 /nfs/dbraw/zinc/20/45/20/403204520.db2.gz YKJVRXHYUIHOEG-LLVKDONJSA-N 1 1 309.341 2.417 10 5 DEBEMO CC(=O)c1cc(N2CCC[C@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000425276380 405267104 /nfs/dbraw/zinc/26/71/04/405267104.db2.gz BTEXKPXONUCVNZ-BLLLJJGKSA-N 1 1 303.362 2.328 10 5 DEBEMO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccccc1 ZINC000180183667 277168956 /nfs/dbraw/zinc/16/89/56/277168956.db2.gz XNDNCMHERAKZEM-WFASDCNBSA-N 1 1 315.329 2.363 10 5 DEBEMO Cc1nn(C[NH+]2CCC([C@@H](C)O)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121209388 684106537 /nfs/dbraw/zinc/10/65/37/684106537.db2.gz AOGJKQGCAFAPPF-GFCCVEGCSA-N 1 1 318.377 2.303 10 5 DEBEMO O=[N+]([O-])c1cc(Cl)ccc1Cn1ncnc1C[NH2+]C1CC1 ZINC000088629140 185260563 /nfs/dbraw/zinc/26/05/63/185260563.db2.gz RTTJCKDVQBABPI-UHFFFAOYSA-N 1 1 307.741 2.140 10 5 DEBEMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1OC(F)F ZINC000172757338 198146444 /nfs/dbraw/zinc/14/64/44/198146444.db2.gz HEWJIXFRVRJCHV-LLVKDONJSA-N 1 1 313.304 2.481 10 5 DEBEMO O=C1[C@@H]([N@@H+]2CCCSCC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000089985813 355551402 /nfs/dbraw/zinc/55/14/02/355551402.db2.gz ZZFPPLDSVGTFCK-AWEZNQCLSA-N 1 1 321.402 2.139 10 5 DEBEMO O=C1[C@@H]([N@H+]2CCCSCC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000089985813 355551406 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2.199 10 5 DEBEMO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[C@@H]1C ZINC000189304646 200378321 /nfs/dbraw/zinc/37/83/21/200378321.db2.gz DKOVPGGRHSCLLK-XHDPSFHLSA-N 1 1 321.377 2.199 10 5 DEBEMO O=[N+]([O-])c1cccc(-c2cc3c(nc[nH+]c3NCCCO)[nH]2)c1 ZINC000041472486 183192928 /nfs/dbraw/zinc/19/29/28/183192928.db2.gz INSHSPNCGSFVRS-UHFFFAOYSA-N 1 1 313.317 2.327 10 5 DEBEMO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000251646034 145194738 /nfs/dbraw/zinc/19/47/38/145194738.db2.gz HIYFTTFLPNJFNT-TYNCELHUSA-N 1 1 321.377 2.279 10 5 DEBEMO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000251646034 145194740 /nfs/dbraw/zinc/19/47/40/145194740.db2.gz HIYFTTFLPNJFNT-TYNCELHUSA-N 1 1 321.377 2.279 10 5 DEBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000113225296 401770907 /nfs/dbraw/zinc/77/09/07/401770907.db2.gz DYASIGDFMLRXCV-OKZVOGLASA-N 1 1 315.373 2.303 10 5 DEBEMO O=C1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1 ZINC000119222085 401934413 /nfs/dbraw/zinc/93/44/13/401934413.db2.gz AWEYABVFSCQNIM-UHFFFAOYSA-N 1 1 315.329 2.177 10 5 DEBEMO COC(=O)c1cc(N(C)CC[N@@H+](C)C2CC2)cc(C)c1[N+](=O)[O-] ZINC000184789641 402300117 /nfs/dbraw/zinc/30/01/17/402300117.db2.gz IPRPVICEPBFMQQ-UHFFFAOYSA-N 1 1 321.377 2.220 10 5 DEBEMO CC(C)[N@H+](CCc1nccs1)CCn1cc([N+](=O)[O-])cn1 ZINC000159747459 402329554 /nfs/dbraw/zinc/32/95/54/402329554.db2.gz ZZSPPGAKAPYCLS-UHFFFAOYSA-N 1 1 309.395 2.201 10 5 DEBEMO CC[N@H+]1CCC[C@H]1CN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178582247 402514595 /nfs/dbraw/zinc/51/45/95/402514595.db2.gz PEBDWTIIESMADA-HOTGVXAUSA-N 1 1 307.394 2.044 10 5 DEBEMO COc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000246823774 402546040 /nfs/dbraw/zinc/54/60/40/402546040.db2.gz CORJFMNROWFWBI-JSGCOSHPSA-N 1 1 305.378 2.272 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000247402540 402566243 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ZINC000176963737 402354901 /nfs/dbraw/zinc/35/49/01/402354901.db2.gz NWVZPJHLYFPDKS-CYBMUJFWSA-N 1 1 321.377 2.160 10 5 DEBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000177025818 402361118 /nfs/dbraw/zinc/36/11/18/402361118.db2.gz GFSSJRQAMQOJMV-CYBMUJFWSA-N 1 1 305.378 2.460 10 5 DEBEMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@@H]1CCCO1 ZINC000170688207 402514505 /nfs/dbraw/zinc/51/45/05/402514505.db2.gz HTAHHYOSBVCMPG-RISCZKNCSA-N 1 1 307.350 2.033 10 5 DEBEMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@@H]1CCCO1 ZINC000170688207 402514509 /nfs/dbraw/zinc/51/45/09/402514509.db2.gz HTAHHYOSBVCMPG-RISCZKNCSA-N 1 1 307.350 2.033 10 5 DEBEMO CSc1cccc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000186893463 402469792 /nfs/dbraw/zinc/46/97/92/402469792.db2.gz XBPLENZIHDNBBD-QWRGUYRKSA-N 1 1 323.418 2.481 10 5 DEBEMO Cc1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000246766641 402543947 /nfs/dbraw/zinc/54/39/47/402543947.db2.gz ASTFOSZLDDLIEH-OCCSQVGLSA-N 1 1 303.362 2.212 10 5 DEBEMO Cc1c(CC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000178637127 402520188 /nfs/dbraw/zinc/52/01/88/402520188.db2.gz WCDLJWUKMNXHIV-OAHLLOKOSA-N 1 1 317.389 2.142 10 5 DEBEMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171615408 402601401 /nfs/dbraw/zinc/60/14/01/402601401.db2.gz HSNMPEAKZKTYMN-AWEZNQCLSA-N 1 1 317.349 2.032 10 5 DEBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000171615408 402601402 /nfs/dbraw/zinc/60/14/02/402601402.db2.gz HSNMPEAKZKTYMN-AWEZNQCLSA-N 1 1 317.349 2.032 10 5 DEBEMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174843538 402759934 /nfs/dbraw/zinc/75/99/34/402759934.db2.gz PDPGLKVBGAIFIX-CZUORRHYSA-N 1 1 316.361 2.253 10 5 DEBEMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174843538 402759937 /nfs/dbraw/zinc/75/99/37/402759937.db2.gz PDPGLKVBGAIFIX-CZUORRHYSA-N 1 1 316.361 2.253 10 5 DEBEMO C[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000266974733 403004360 /nfs/dbraw/zinc/00/43/60/403004360.db2.gz NGLWSJNVXKDHSL-SNVBAGLBSA-N 1 1 319.283 2.356 10 5 DEBEMO C[N@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000266974733 403004362 /nfs/dbraw/zinc/00/43/62/403004362.db2.gz NGLWSJNVXKDHSL-SNVBAGLBSA-N 1 1 319.283 2.356 10 5 DEBEMO Cc1cc(N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000558920101 405709147 /nfs/dbraw/zinc/70/91/47/405709147.db2.gz RSRRQJMOKWHLHT-MRXNPFEDSA-N 1 1 319.405 2.450 10 5 DEBEMO Cc1cc(N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000558920101 405709150 /nfs/dbraw/zinc/70/91/50/405709150.db2.gz RSRRQJMOKWHLHT-MRXNPFEDSA-N 1 1 319.405 2.450 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247461986 525561421 /nfs/dbraw/zinc/56/14/21/525561421.db2.gz UMADYQWQXGKBKR-IUODEOHRSA-N 1 1 305.378 2.362 10 5 DEBEMO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247451243 526204101 /nfs/dbraw/zinc/20/41/01/526204101.db2.gz SSMZUBHSLIOOHH-TZMCWYRMSA-N 1 1 305.378 2.362 10 5 DEBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000246896225 536165262 /nfs/dbraw/zinc/16/52/62/536165262.db2.gz HFTKIQDESIAPBO-HOCLYGCPSA-N 1 1 317.389 2.223 10 5 DEBEMO COc1ccccc1C[C@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000058539945 646554122 /nfs/dbraw/zinc/55/41/22/646554122.db2.gz RCKLJZALUZKGHD-CQSZACIVSA-N 1 1 316.361 2.465 10 5 DEBEMO COc1ccccc1C[C@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000058539945 646554126 /nfs/dbraw/zinc/55/41/26/646554126.db2.gz RCKLJZALUZKGHD-CQSZACIVSA-N 1 1 316.361 2.465 10 5 DEBEMO Cc1cccc(C(=O)OCC[NH+]2CCSCC2)c1[N+](=O)[O-] ZINC000131151690 684197028 /nfs/dbraw/zinc/19/70/28/684197028.db2.gz WUBMNHKIISEFBE-UHFFFAOYSA-N 1 1 310.375 2.109 10 5 DEBEMO CC[N@H+]1CCC[C@H]1CN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000175352411 282194892 /nfs/dbraw/zinc/19/48/92/282194892.db2.gz FZDCHHNWQNFHNF-AWEZNQCLSA-N 1 1 307.394 2.390 10 5 DEBEMO CN(CC[C@H]1CCCC[N@H+]1C)c1cc(CO)ccc1[N+](=O)[O-] ZINC000302053387 529931506 /nfs/dbraw/zinc/93/15/06/529931506.db2.gz PPNKCLHJUNGOEG-CQSZACIVSA-N 1 1 307.394 2.398 10 5 DEBEMO CCOC(=O)c1c([N+](=O)[O-])ccc(/C=C/[NH+](C)C)c1[N+](=O)[O-] ZINC000039086334 354168191 /nfs/dbraw/zinc/16/81/91/354168191.db2.gz IOLXKMCXWZWJDI-BQYQJAHWSA-N 1 1 309.278 2.212 10 5 DEBEMO CC[N@H+]1CC[C@@H](N(C)c2nc3sccn3c2[N+](=O)[O-])[C@H](C)C1 ZINC000078332706 355254177 /nfs/dbraw/zinc/25/41/77/355254177.db2.gz DQHDGSVSSYOURK-GHMZBOCLSA-N 1 1 323.422 2.471 10 5 DEBEMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000255583931 356338161 /nfs/dbraw/zinc/33/81/61/356338161.db2.gz DWBPSPQLOXQQTD-IMMZDGJCSA-N 1 1 317.389 2.015 10 5 DEBEMO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000155179569 197029669 /nfs/dbraw/zinc/02/96/69/197029669.db2.gz DVAXQSYOVNOUBW-TXEJJXNPSA-N 1 1 323.418 2.238 10 5 DEBEMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000155179569 197029671 /nfs/dbraw/zinc/02/96/71/197029671.db2.gz DVAXQSYOVNOUBW-TXEJJXNPSA-N 1 1 323.418 2.238 10 5 DEBEMO CC1=CC[N@@H+](CCNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000358192240 133126976 /nfs/dbraw/zinc/12/69/76/133126976.db2.gz PJLYEMGAMGSMCD-UHFFFAOYSA-N 1 1 318.377 2.046 10 5 DEBEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000247403349 145136306 /nfs/dbraw/zinc/13/63/06/145136306.db2.gz RGAIWEHVSUFFRL-GXTWGEPZSA-N 1 1 320.393 2.123 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247444826 145137188 /nfs/dbraw/zinc/13/71/88/145137188.db2.gz PSNVWSQNBZBRBM-QWHCGFSZSA-N 1 1 305.378 2.458 10 5 DEBEMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000248873211 145171545 /nfs/dbraw/zinc/17/15/45/145171545.db2.gz VKWTVDAWCCDOAO-IMJJTQAJSA-N 1 1 318.373 2.411 10 5 DEBEMO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000252009435 145198002 /nfs/dbraw/zinc/19/80/02/145198002.db2.gz XLOXUVINRUFYIV-LALPHHSUSA-N 1 1 321.377 2.279 10 5 DEBEMO CO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000252009435 145198003 /nfs/dbraw/zinc/19/80/03/145198003.db2.gz XLOXUVINRUFYIV-LALPHHSUSA-N 1 1 321.377 2.279 10 5 DEBEMO Cc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000113223828 401770740 /nfs/dbraw/zinc/77/07/40/401770740.db2.gz ASTFOSZLDDLIEH-GXTWGEPZSA-N 1 1 303.362 2.212 10 5 DEBEMO Cc1cccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000113230350 401771455 /nfs/dbraw/zinc/77/14/55/401771455.db2.gz DGZMIFMEXIOFQP-QWHCGFSZSA-N 1 1 303.362 2.212 10 5 DEBEMO COc1ccc([N+](=O)[O-])cc1CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113268940 401773883 /nfs/dbraw/zinc/77/38/83/401773883.db2.gz CUNRGGGGMPKHLL-SWLSCSKDSA-N 1 1 305.378 2.272 10 5 DEBEMO Cc1sc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000115440222 401827811 /nfs/dbraw/zinc/82/78/11/401827811.db2.gz ZDLAHNPYFPDCBM-NSHDSACASA-N 1 1 311.407 2.379 10 5 DEBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([N@@H+](C)CCCO)CC1 ZINC000115548505 401831242 /nfs/dbraw/zinc/83/12/42/401831242.db2.gz GEXLBHWYWBCVGE-AWEZNQCLSA-N 1 1 321.421 2.434 10 5 DEBEMO COCc1cc([N+](=O)[O-])ccc1N1CCC[N@H+](C2CC2)CC1 ZINC000080608021 401891010 /nfs/dbraw/zinc/89/10/10/401891010.db2.gz GFMAPDJBPZVWNU-UHFFFAOYSA-N 1 1 305.378 2.416 10 5 DEBEMO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000124324415 402174737 /nfs/dbraw/zinc/17/47/37/402174737.db2.gz MLNDXDGDHXEUCY-OLZOCXBDSA-N 1 1 305.378 2.458 10 5 DEBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000177423949 402400926 /nfs/dbraw/zinc/40/09/26/402400926.db2.gz KMGBZPHHGCYLSL-GFCCVEGCSA-N 1 1 320.393 2.042 10 5 DEBEMO Cc1c(CC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000245923961 402497588 /nfs/dbraw/zinc/49/75/88/402497588.db2.gz HGAAYSQVFFHTLX-DOMZBBRYSA-N 1 1 317.389 2.141 10 5 DEBEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000246782798 402544597 /nfs/dbraw/zinc/54/45/97/402544597.db2.gz CMNXQISERMRHJF-OKZVOGLASA-N 1 1 317.389 2.453 10 5 DEBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000246171384 402515282 /nfs/dbraw/zinc/51/52/82/402515282.db2.gz LJIGKHSDZYOGLY-BBRMVZONSA-N 1 1 317.389 2.223 10 5 DEBEMO C[C@@H]1CC[C@H](C)[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248460445 402592111 /nfs/dbraw/zinc/59/21/11/402592111.db2.gz OIFLBULXTMATOX-HZSPNIEDSA-N 1 1 308.378 2.455 10 5 DEBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000183322561 402756668 /nfs/dbraw/zinc/75/66/68/402756668.db2.gz JEWNWXLWYMRDJU-CQSZACIVSA-N 1 1 306.362 2.488 10 5 DEBEMO Cc1cc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)ncc1[N+](=O)[O-] ZINC000301447483 403630610 /nfs/dbraw/zinc/63/06/10/403630610.db2.gz RTFKCNQUSBCDLV-MELADBBJSA-N 1 1 302.378 2.219 10 5 DEBEMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ccncc1[N+](=O)[O-] ZINC000361015909 404880477 /nfs/dbraw/zinc/88/04/77/404880477.db2.gz WMPCPGWNCSVQLR-BBRMVZONSA-N 1 1 312.373 2.344 10 5 DEBEMO O=c1cc(C[N@@H+]2CCNC(=O)CC2)c2c(ccc3ccccc32)o1 ZINC000054257680 275043566 /nfs/dbraw/zinc/04/35/66/275043566.db2.gz KKLFDGPAIDPCFL-UHFFFAOYSA-N 1 1 322.364 2.268 10 5 DEBEMO O=c1cc(C[N@H+]2CCNC(=O)CC2)c2c(ccc3ccccc32)o1 ZINC000054257680 275043567 /nfs/dbraw/zinc/04/35/67/275043567.db2.gz KKLFDGPAIDPCFL-UHFFFAOYSA-N 1 1 322.364 2.268 10 5 DEBEMO Cc1c(CC(=O)NCC[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000161704913 525692200 /nfs/dbraw/zinc/69/22/00/525692200.db2.gz JWKRBXJKOPAKOX-ZDUSSCGKSA-N 1 1 319.405 2.436 10 5 DEBEMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000248788047 536552161 /nfs/dbraw/zinc/55/21/61/536552161.db2.gz CVUMVJYMRITGSG-CFVMTHIKSA-N 1 1 304.346 2.368 10 5 DEBEMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000248788047 536552164 /nfs/dbraw/zinc/55/21/64/536552164.db2.gz CVUMVJYMRITGSG-CFVMTHIKSA-N 1 1 304.346 2.368 10 5 DEBEMO C/C(=C/C(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000752348229 639173712 /nfs/dbraw/zinc/17/37/12/639173712.db2.gz OWPSAQREYJBWPN-WQTVUKCASA-N 1 1 303.362 2.209 10 5 DEBEMO COC(=O)[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000094996531 647892797 /nfs/dbraw/zinc/89/27/97/647892797.db2.gz UGRUGHLDGMGEJM-SKDRFNHKSA-N 1 1 312.753 2.489 10 5 DEBEMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000094996531 647892799 /nfs/dbraw/zinc/89/27/99/647892799.db2.gz UGRUGHLDGMGEJM-SKDRFNHKSA-N 1 1 312.753 2.489 10 5 DEBEMO O=C1[C@H]([N@@H+]2CCCSCC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000089985814 355551536 /nfs/dbraw/zinc/55/15/36/355551536.db2.gz ZZFPPLDSVGTFCK-CQSZACIVSA-N 1 1 321.402 2.139 10 5 DEBEMO O=C1[C@H]([N@H+]2CCCSCC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000089985814 355551539 /nfs/dbraw/zinc/55/15/39/355551539.db2.gz ZZFPPLDSVGTFCK-CQSZACIVSA-N 1 1 321.402 2.139 10 5 DEBEMO COc1cc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000184215755 199688619 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2.238 10 5 DEBEMO Cc1cc(NC(=O)N2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000153623905 196894243 /nfs/dbraw/zinc/89/42/43/196894243.db2.gz JVWWZJJLXGCYAN-UHFFFAOYSA-N 1 1 304.350 2.215 10 5 DEBEMO Cn1cc([C@@H]2CCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000246337524 145099580 /nfs/dbraw/zinc/09/95/80/145099580.db2.gz UDHHUSVFONFJJL-JKSUJKDBSA-N 1 1 316.361 2.199 10 5 DEBEMO COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000248325456 145150654 /nfs/dbraw/zinc/15/06/54/145150654.db2.gz BFLILKMDVXQFDG-HNNXBMFYSA-N 1 1 305.378 2.274 10 5 DEBEMO CC1(C)CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000077382850 401813619 /nfs/dbraw/zinc/81/36/19/401813619.db2.gz VTGAJJYBGXTGJA-UHFFFAOYSA-N 1 1 303.362 2.358 10 5 DEBEMO CC(C)[N@@H+]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000150856754 402000699 /nfs/dbraw/zinc/00/06/99/402000699.db2.gz JETPPYYKEVUAAZ-FZMZJTMJSA-N 1 1 306.366 2.445 10 5 DEBEMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000120973638 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