smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCNCC(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000047948585 362233447 /nfs/dbraw/zinc/23/34/47/362233447.db2.gz FWIIAUOGDROTJI-UHFFFAOYSA-N 0 3 265.313 2.150 10 5 CEBEHN CC[C@H](O)CCNCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000127346702 187298565 /nfs/dbraw/zinc/29/85/65/187298565.db2.gz JQSQLDRNZRWXPZ-JTQLQIEISA-N 0 3 272.732 2.499 10 5 CEBEHN CC[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](CC)CN1 ZINC000086447416 179295718 /nfs/dbraw/zinc/29/57/18/179295718.db2.gz QULGKJIUECIFNH-QWRGUYRKSA-N 0 3 297.380 2.259 10 5 CEBEHN NCc1ccc(O[C@@H]2CCCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000088761385 179668293 /nfs/dbraw/zinc/66/82/93/179668293.db2.gz GDRQVHBKGGCOQR-TZMCWYRMSA-N 0 3 280.324 2.126 10 5 CEBEHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCCCN1C ZINC000091557610 180191024 /nfs/dbraw/zinc/19/10/24/180191024.db2.gz BXPYWIRMEFYSKZ-LLVKDONJSA-N 0 3 281.360 2.016 10 5 CEBEHN CC(C)c1nn(C)c(NC[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000091582884 180199079 /nfs/dbraw/zinc/19/90/79/180199079.db2.gz ZVTCJWMENJJQES-LLVKDONJSA-N 0 3 295.387 2.205 10 5 CEBEHN Cc1ccccc1[C@H](C)NCCn1cc([N+](=O)[O-])cn1 ZINC000130980584 366011613 /nfs/dbraw/zinc/01/16/13/366011613.db2.gz CKNHSBMBDJEKNY-LBPRGKRZSA-N 0 3 274.324 2.451 10 5 CEBEHN CCNC(=O)CCN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000135740987 366472350 /nfs/dbraw/zinc/47/23/50/366472350.db2.gz OUAHXSOXAANERI-CYBMUJFWSA-N 0 3 279.340 2.162 10 5 CEBEHN O=[N+]([O-])c1cccc(CN2CCN3CCCC[C@H]3C2)c1 ZINC000246251715 370935739 /nfs/dbraw/zinc/93/57/39/370935739.db2.gz WUPVFYVABHJJNH-HNNXBMFYSA-N 0 3 275.352 2.265 10 5 CEBEHN CCCCOC[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000195212476 370115983 /nfs/dbraw/zinc/11/59/83/370115983.db2.gz ZGWVTAZGPOQLAF-SWLSCSKDSA-N 0 3 296.367 2.423 10 5 CEBEHN CCC[C@@](C)(N)C(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000037622311 173573874 /nfs/dbraw/zinc/57/38/74/173573874.db2.gz PEFSTXBZEIZBIF-CYBMUJFWSA-N 0 3 265.313 2.359 10 5 CEBEHN CCN1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000040503211 174300230 /nfs/dbraw/zinc/30/02/30/174300230.db2.gz WIQFPNPSZJCHBL-JTQLQIEISA-N 0 3 294.311 2.399 10 5 CEBEHN O=[N+]([O-])c1cccc(CNC[C@H]2CCCC[C@H]2O)c1 ZINC000077204333 177232344 /nfs/dbraw/zinc/23/23/44/177232344.db2.gz OPYZDTKBHOQJOP-TZMCWYRMSA-N 0 3 264.325 2.236 10 5 CEBEHN CCNC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000061299172 519907411 /nfs/dbraw/zinc/90/74/11/519907411.db2.gz QYNAECRLPPCMIU-UHFFFAOYSA-N 0 3 265.313 2.230 10 5 CEBEHN CN[C@H](C)c1cnn(CCc2ccccc2[N+](=O)[O-])c1 ZINC000062727347 522454842 /nfs/dbraw/zinc/45/48/42/522454842.db2.gz HMHHGOGSRJWDQM-LLVKDONJSA-N 0 3 274.324 2.314 10 5 CEBEHN CNc1ccc(CN(C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000050814146 522607265 /nfs/dbraw/zinc/60/72/65/522607265.db2.gz LUNNOSKZERHULX-UHFFFAOYSA-N 0 3 279.340 2.247 10 5 CEBEHN COCCN(Cc1ccc(N)c([N+](=O)[O-])c1)CC(C)C ZINC000050815097 523751177 /nfs/dbraw/zinc/75/11/77/523751177.db2.gz LIJIGOZZQXNSNR-UHFFFAOYSA-N 0 3 281.356 2.281 10 5 CEBEHN Cc1cc(NC(=O)[C@](C)(N)C2CC2)c([N+](=O)[O-])cc1C ZINC000050439845 525238668 /nfs/dbraw/zinc/23/86/68/525238668.db2.gz IAZRYBACXHTUHW-CQSZACIVSA-N 0 3 277.324 2.278 10 5 CEBEHN Cc1cc(OCc2cccnc2C(=N)N)ccc1[N+](=O)[O-] ZINC000061658807 525376871 /nfs/dbraw/zinc/37/68/71/525376871.db2.gz LTMIXSIYCIRQCK-UHFFFAOYSA-N 0 3 286.291 2.161 10 5 CEBEHN Cc1cc([N+](=O)[O-])cnc1N[C@@H](CN(C)C)C(C)C ZINC000052812667 525578898 /nfs/dbraw/zinc/57/88/98/525578898.db2.gz JYHHRRICJRWMKS-LBPRGKRZSA-N 0 3 266.345 2.296 10 5 CEBEHN C[C@H](O)c1ccc(N(C)[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000053245955 525855684 /nfs/dbraw/zinc/85/56/84/525855684.db2.gz YBFPRZDDLFNIRF-WCQYABFASA-N 0 3 293.367 2.179 10 5 CEBEHN O=[N+]([O-])c1ccccc1CCN1CCC[C@H](CCO)C1 ZINC000062727301 527397541 /nfs/dbraw/zinc/39/75/41/527397541.db2.gz GSOPGBYGJHSXKW-CYBMUJFWSA-N 0 3 278.352 2.232 10 5 CEBEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000086446070 179294922 /nfs/dbraw/zinc/29/49/22/179294922.db2.gz CDLKWLKAEFDGND-QWHCGFSZSA-N 0 3 291.351 2.197 10 5 CEBEHN Cc1cnc(NC[C@H]2CCCCN2C)c([N+](=O)[O-])c1 ZINC000090692237 180024920 /nfs/dbraw/zinc/02/49/20/180024920.db2.gz RYESBDLVDHQTBL-LLVKDONJSA-N 0 3 264.329 2.194 10 5 CEBEHN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](CN(C)C)C(C)C ZINC000091555612 180190229 /nfs/dbraw/zinc/19/02/29/180190229.db2.gz MDTXQJFTXMGWJD-NSHDSACASA-N 0 3 283.376 2.118 10 5 CEBEHN Cc1cc(NC[C@H](C)N2CCCC2)ncc1[N+](=O)[O-] ZINC000092209510 180344663 /nfs/dbraw/zinc/34/46/63/180344663.db2.gz CIXNDOGIZALMAH-NSHDSACASA-N 0 3 264.329 2.194 10 5 CEBEHN CCCNc1ccnc(Cn2cnc([N+](=O)[O-])c2)c1 ZINC000092419621 180382018 /nfs/dbraw/zinc/38/20/18/180382018.db2.gz DUYAOXRJPBHFMU-UHFFFAOYSA-N 0 3 261.285 2.057 10 5 CEBEHN CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2NC)CCN1C ZINC000110743028 186318928 /nfs/dbraw/zinc/31/89/28/186318928.db2.gz BADYIIIZWICFBJ-CYBMUJFWSA-N 0 3 292.383 2.163 10 5 CEBEHN C[C@H](NC[C@@H](O)COC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180451987 189255818 /nfs/dbraw/zinc/25/58/18/189255818.db2.gz GOYYIHALMVFFPR-SMDDNHRTSA-N 0 3 296.367 2.421 10 5 CEBEHN CCN[C@@H]1CCCN(c2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000071036930 134955982 /nfs/dbraw/zinc/95/59/82/134955982.db2.gz WRLVKQHVKQOFGB-LLVKDONJSA-N 0 3 297.742 2.353 10 5 CEBEHN CC[C@@H](C)NCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000037386525 173169729 /nfs/dbraw/zinc/16/97/29/173169729.db2.gz JYSZWYWMMOFHIV-SECBINFHSA-N 0 3 265.313 2.230 10 5 CEBEHN CO[C@H]1CN[C@@H](c2nc(-c3cccc([N+](=O)[O-])c3)c[nH]2)C1 ZINC000040637699 174361846 /nfs/dbraw/zinc/36/18/46/174361846.db2.gz ZPDJWKWMCQMAHV-VXGBXAGGSA-N 0 3 288.307 2.034 10 5 CEBEHN C[C@@H]1CNCCN1c1nc2cc([N+](=O)[O-])ccc2s1 ZINC000095069579 274376409 /nfs/dbraw/zinc/37/64/09/274376409.db2.gz DIZBAGBIJBLFNT-MRVPVSSYSA-N 0 3 278.337 2.003 10 5 CEBEHN O=[N+]([O-])c1cccnc1NC[C@H]1NCCc2ccccc21 ZINC000261597567 275040293 /nfs/dbraw/zinc/04/02/93/275040293.db2.gz ANZYXXSFQYIABE-CYBMUJFWSA-N 0 3 284.319 2.289 10 5 CEBEHN CCCN1CCC(Nc2ncnc(Cl)c2[N+](=O)[O-])CC1 ZINC000050455539 519847795 /nfs/dbraw/zinc/84/77/95/519847795.db2.gz AUSOITRINADYEQ-UHFFFAOYSA-N 0 3 299.762 2.325 10 5 CEBEHN CCN(Cc1cc([N+](=O)[O-])ccc1NC)[C@H](C)COC ZINC000050814981 521295336 /nfs/dbraw/zinc/29/53/36/521295336.db2.gz CRTAWLUKCGUION-LLVKDONJSA-N 0 3 281.356 2.493 10 5 CEBEHN CCN1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2N)C1 ZINC000052840955 521625704 /nfs/dbraw/zinc/62/57/04/521625704.db2.gz FDPGQLMUPJSESY-SNVBAGLBSA-N 0 3 264.329 2.073 10 5 CEBEHN COCC[C@@H](N)c1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC000052811230 521833401 /nfs/dbraw/zinc/83/34/01/521833401.db2.gz NSYLDCIXWPRGJY-LLVKDONJSA-N 0 3 276.296 2.021 10 5 CEBEHN CNCc1cnn(Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000054719238 522149777 /nfs/dbraw/zinc/14/97/77/522149777.db2.gz SQDUKLLHUDATKG-UHFFFAOYSA-N 0 3 280.715 2.212 10 5 CEBEHN COCCN(Cc1ccc(N)c([N+](=O)[O-])c1)[C@@H](C)C1CC1 ZINC000050816710 523751095 /nfs/dbraw/zinc/75/10/95/523751095.db2.gz SOISCSAOMABGDN-NSHDSACASA-N 0 3 293.367 2.424 10 5 CEBEHN NCc1ccc([N+](=O)[O-])c(OC[C@H](O)c2ccccc2)c1 ZINC000050516313 527257187 /nfs/dbraw/zinc/25/71/87/527257187.db2.gz VQINYPSTLBCKPA-AWEZNQCLSA-N 0 3 288.303 2.166 10 5 CEBEHN COc1ccc(CN2CCC[C@H]2CCCO)cc1[N+](=O)[O-] ZINC000052762804 362473836 /nfs/dbraw/zinc/47/38/36/362473836.db2.gz MGUBGRHOGIPKNC-ZDUSSCGKSA-N 0 3 294.351 2.340 10 5 CEBEHN O=[N+]([O-])c1ccc(F)cc1CNC[C@@H]1CCCC[C@H]1O ZINC000085985342 179211718 /nfs/dbraw/zinc/21/17/18/179211718.db2.gz WUNAPGCZKBOUKH-IINYFYTJSA-N 0 3 282.315 2.375 10 5 CEBEHN CC[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)[C@H](CC)CN1 ZINC000086447410 179295444 /nfs/dbraw/zinc/29/54/44/179295444.db2.gz QULGKJIUECIFNH-GHMZBOCLSA-N 0 3 297.380 2.259 10 5 CEBEHN CC[C@](C)(O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000087011407 179379249 /nfs/dbraw/zinc/37/92/49/179379249.db2.gz IIBGEIWZSDQVBH-GWCFXTLKSA-N 0 3 252.314 2.406 10 5 CEBEHN O=[N+]([O-])c1ccc(F)cc1CNC[C@H]1CCC[C@@H]1CO ZINC000089498664 179804288 /nfs/dbraw/zinc/80/42/88/179804288.db2.gz UWPLCLRDPOGCBZ-GHMZBOCLSA-N 0 3 282.315 2.232 10 5 CEBEHN CC[C@@H](NC1CC(O)C1)c1cccc([N+](=O)[O-])c1 ZINC000091449543 180158393 /nfs/dbraw/zinc/15/83/93/180158393.db2.gz PGOJRBYVJFWTHE-KGPNIALWSA-N 0 3 250.298 2.159 10 5 CEBEHN COc1ccc(CN[C@@H]2CCCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000135721606 366472512 /nfs/dbraw/zinc/47/25/12/366472512.db2.gz RVHLNEXGSUFYGU-OCCSQVGLSA-N 0 3 294.351 2.387 10 5 CEBEHN Cn1cc([C@H]2CCN(Cc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000116317038 365049991 /nfs/dbraw/zinc/04/99/91/365049991.db2.gz FQDCQJCZRTWWSC-LBPRGKRZSA-N 0 3 286.335 2.318 10 5 CEBEHN O=[N+]([O-])c1ccccc1CN1CCN2CCCC[C@@H]2C1 ZINC000172800376 367821623 /nfs/dbraw/zinc/82/16/23/367821623.db2.gz NVPLZTFDYWXSAQ-CQSZACIVSA-N 0 3 275.352 2.265 10 5 CEBEHN COc1cc(N2CCN3CCC[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000246145231 370915534 /nfs/dbraw/zinc/91/55/34/370915534.db2.gz YLTBLZAVSHPRGP-JTQLQIEISA-N 0 3 295.314 2.027 10 5 CEBEHN O=[N+]([O-])c1ccccc1CN1CCC[C@H]1CCCO ZINC000052761837 285159778 /nfs/dbraw/zinc/15/97/78/285159778.db2.gz GCNMYMRLXYJGPG-ZDUSSCGKSA-N 0 3 264.325 2.332 10 5 CEBEHN Cc1csc(COc2cc(CN)ccc2[N+](=O)[O-])n1 ZINC000094964857 184907349 /nfs/dbraw/zinc/90/73/49/184907349.db2.gz TZASQXLJLHRQDJ-UHFFFAOYSA-N 0 3 279.321 2.397 10 5 CEBEHN CC(C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000037386065 173168872 /nfs/dbraw/zinc/16/88/72/173168872.db2.gz ZFEKXPPFKSNIKX-UHFFFAOYSA-N 0 3 271.704 2.185 10 5 CEBEHN O=[N+]([O-])c1cc(CNCC[C@@H]2CCCO2)cs1 ZINC000038096483 174110228 /nfs/dbraw/zinc/11/02/28/174110228.db2.gz KXSPAEFLKOOCOL-JTQLQIEISA-N 0 3 256.327 2.315 10 5 CEBEHN CCN1CCC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000040502985 174300039 /nfs/dbraw/zinc/30/00/39/174300039.db2.gz JSBQKHZAYBJMLK-NSHDSACASA-N 0 3 269.370 2.230 10 5 CEBEHN C[C@@H](NCCc1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000040639009 174363381 /nfs/dbraw/zinc/36/33/81/174363381.db2.gz QKHKDSJZFZMFFZ-LLVKDONJSA-N 0 3 274.324 2.222 10 5 CEBEHN CCOc1cccc(N2CCN3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000184112084 276381288 /nfs/dbraw/zinc/38/12/88/276381288.db2.gz PZXWUXUQADDYSB-GFCCVEGCSA-N 0 3 291.351 2.278 10 5 CEBEHN Cc1cc([N+](=O)[O-])ccc1NC[C@@H](O)CN1CCCCC1 ZINC000175013396 280663421 /nfs/dbraw/zinc/66/34/21/280663421.db2.gz TZIHWWOXZVZHOA-CQSZACIVSA-N 0 3 293.367 2.162 10 5 CEBEHN CCNCc1ccc([N+](=O)[O-])c(O[C@@H]2CCCC[C@@H]2O)c1 ZINC000050516970 520000757 /nfs/dbraw/zinc/00/07/57/520000757.db2.gz IRNGPNSHKULEJN-UONOGXRCSA-N 0 3 294.351 2.387 10 5 CEBEHN CCNCc1ccc([N+](=O)[O-])c(O[C@H]2CCCC[C@H]2O)c1 ZINC000050516973 520002031 /nfs/dbraw/zinc/00/20/31/520002031.db2.gz IRNGPNSHKULEJN-KGLIPLIRSA-N 0 3 294.351 2.387 10 5 CEBEHN CNc1ccc(CN2CCC[C@@H]2CCCO)cc1[N+](=O)[O-] ZINC000052763219 522609501 /nfs/dbraw/zinc/60/95/01/522609501.db2.gz LFUVEUDMDCMIRK-CYBMUJFWSA-N 0 3 293.367 2.373 10 5 CEBEHN COCCOCCNCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000067978212 524010502 /nfs/dbraw/zinc/01/05/02/524010502.db2.gz OKNBQHMVDLOXSL-UHFFFAOYSA-N 0 3 288.731 2.001 10 5 CEBEHN C[C@H](CN1CCCCC1)Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050455471 524335367 /nfs/dbraw/zinc/33/53/67/524335367.db2.gz GYLLKEHGCAZMCP-SECBINFHSA-N 0 3 299.762 2.325 10 5 CEBEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000069133351 525094806 /nfs/dbraw/zinc/09/48/06/525094806.db2.gz XYYLGUYPYVGJGQ-RKDXNWHRSA-N 0 3 297.742 2.071 10 5 CEBEHN N=C(N)c1cc(Oc2ccc(F)cc2[N+](=O)[O-])ccn1 ZINC000061814664 526821595 /nfs/dbraw/zinc/82/15/95/526821595.db2.gz ANKOJFFSIZXCRY-UHFFFAOYSA-N 0 3 276.227 2.205 10 5 CEBEHN Cc1ccc([C@H](C)NC2CC(CO)C2)cc1[N+](=O)[O-] ZINC000595103950 345742996 /nfs/dbraw/zinc/74/29/96/345742996.db2.gz PIIULKWYNPQUSX-ZBOXLXRLSA-N 0 3 264.325 2.325 10 5 CEBEHN COc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCCC[C@@H]1O ZINC000085986659 179212221 /nfs/dbraw/zinc/21/22/21/179212221.db2.gz XDQRQWTVGXTSEB-RISCZKNCSA-N 0 3 294.351 2.244 10 5 CEBEHN C[N@@H+]1CCC[C@@H](Nc2ccc([O-])cc2[N+](=O)[O-])CC1 ZINC000086818572 179346625 /nfs/dbraw/zinc/34/66/25/179346625.db2.gz SKAVCGMZGUTABT-SNVBAGLBSA-N 0 3 265.313 2.197 10 5 CEBEHN C[N@H+]1CCC[C@@H](Nc2ccc([O-])cc2[N+](=O)[O-])CC1 ZINC000086818572 179346626 /nfs/dbraw/zinc/34/66/26/179346626.db2.gz SKAVCGMZGUTABT-SNVBAGLBSA-N 0 3 265.313 2.197 10 5 CEBEHN CC[C@](C)(O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000087011410 179379408 /nfs/dbraw/zinc/37/94/08/179379408.db2.gz IIBGEIWZSDQVBH-MFKMUULPSA-N 0 3 252.314 2.406 10 5 CEBEHN CCN1CCC[C@@H](Nc2c([N+](=O)[O-])c(C(C)C)nn2C)C1 ZINC000091580789 180198707 /nfs/dbraw/zinc/19/87/07/180198707.db2.gz AKQNNMOZAPORPD-LLVKDONJSA-N 0 3 295.387 2.348 10 5 CEBEHN CC(C)c1nn(C)c(NCCN2CCCCC2)c1[N+](=O)[O-] ZINC000091580808 180198909 /nfs/dbraw/zinc/19/89/09/180198909.db2.gz XQLCEKQHAOGLNH-UHFFFAOYSA-N 0 3 295.387 2.350 10 5 CEBEHN CN(Cc1ccc(N)c([N+](=O)[O-])c1)C[C@@H]1CCCOC1 ZINC000111170667 186364814 /nfs/dbraw/zinc/36/48/14/186364814.db2.gz QRZFSVLOVOFJCT-LBPRGKRZSA-N 0 3 279.340 2.035 10 5 CEBEHN COc1ccc(CN[C@H]2CCCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000135721635 366471908 /nfs/dbraw/zinc/47/19/08/366471908.db2.gz RVHLNEXGSUFYGU-JSGCOSHPSA-N 0 3 294.351 2.387 10 5 CEBEHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cccs1 ZINC000182543925 189327006 /nfs/dbraw/zinc/32/70/06/189327006.db2.gz JNYORJNFNHMXIH-VIFPVBQESA-N 0 3 266.326 2.204 10 5 CEBEHN CCN1CC[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000389290512 375300083 /nfs/dbraw/zinc/30/00/83/375300083.db2.gz XIVQTMMCIZTMMK-YPMHNXCESA-N 0 3 263.341 2.340 10 5 CEBEHN CCOc1cc(N[C@H]2CCN(CC)C2)ccc1[N+](=O)[O-] ZINC000389249888 375300466 /nfs/dbraw/zinc/30/04/66/375300466.db2.gz GCXULVIYBUVVTG-LBPRGKRZSA-N 0 3 279.340 2.500 10 5 CEBEHN CCN(C)[C@H]1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000302792366 379453691 /nfs/dbraw/zinc/45/36/91/379453691.db2.gz ZCJJPLQTPIDXFN-ZDUSSCGKSA-N 0 3 291.351 2.328 10 5 CEBEHN O=[N+]([O-])c1cccnc1N1CCNCC12CCCCC2 ZINC000088396584 135054310 /nfs/dbraw/zinc/05/43/10/135054310.db2.gz RTORGDLYGIDOGV-UHFFFAOYSA-N 0 3 276.340 2.102 10 5 CEBEHN Cc1c(CN2CC[C@H](CCO)C2)cccc1[N+](=O)[O-] ZINC000227571695 153346428 /nfs/dbraw/zinc/34/64/28/153346428.db2.gz OVKNMBYIFQPDGX-GFCCVEGCSA-N 0 3 264.325 2.108 10 5 CEBEHN COc1cc(CN)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000037226368 173046446 /nfs/dbraw/zinc/04/64/46/173046446.db2.gz HSQJYYZAHDTPJW-UHFFFAOYSA-N 0 3 280.202 2.003 10 5 CEBEHN CC(C)NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000037386092 173168974 /nfs/dbraw/zinc/16/89/74/173168974.db2.gz GBVDOESSHJFGBT-UHFFFAOYSA-N 0 3 271.704 2.185 10 5 CEBEHN CC[C@H](C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000037386464 173169711 /nfs/dbraw/zinc/16/97/11/173169711.db2.gz OHLGRXXBYJBFNE-QMMMGPOBSA-N 0 3 269.276 2.061 10 5 CEBEHN CC[C@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000037386492 173170213 /nfs/dbraw/zinc/17/02/13/173170213.db2.gz RWKIVFCPHMZLKL-JTQLQIEISA-N 0 3 265.313 2.230 10 5 CEBEHN C[C@@H](NC[C@H](C)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000038087913 174100933 /nfs/dbraw/zinc/10/09/33/174100933.db2.gz SPOPPMXCGISKOP-WDEREUQCSA-N 0 3 251.330 2.196 10 5 CEBEHN C[C@H](CNc1nc(Cl)ccc1[N+](=O)[O-])N(C)C ZINC000045112750 175310649 /nfs/dbraw/zinc/31/06/49/175310649.db2.gz BJPWNYQEYXTRMR-SSDOTTSWSA-N 0 3 258.709 2.005 10 5 CEBEHN CCCN[C@@H]1CCN(c2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000071036926 176025880 /nfs/dbraw/zinc/02/58/80/176025880.db2.gz COXBFXFSBPTJAZ-LLVKDONJSA-N 0 3 297.742 2.353 10 5 CEBEHN CCN(C)CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000054111774 276071419 /nfs/dbraw/zinc/07/14/19/276071419.db2.gz QOOCRRGCKOLHEL-UHFFFAOYSA-N 0 3 271.748 2.290 10 5 CEBEHN CCOc1cccc(N2CCN3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000248400283 276381478 /nfs/dbraw/zinc/38/14/78/276381478.db2.gz PZXWUXUQADDYSB-LBPRGKRZSA-N 0 3 291.351 2.278 10 5 CEBEHN CCNC(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000061291955 519906962 /nfs/dbraw/zinc/90/69/62/519906962.db2.gz UXKKJOJPWZUPBR-UHFFFAOYSA-N 0 3 265.313 2.230 10 5 CEBEHN CCNCc1cc(C)nc(-c2ccccc2[N+](=O)[O-])n1 ZINC000054831177 519987463 /nfs/dbraw/zinc/98/74/63/519987463.db2.gz UMCRGYVWZTWIMR-UHFFFAOYSA-N 0 3 272.308 2.470 10 5 CEBEHN CCNCc1cnn(Cc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000054719309 520016873 /nfs/dbraw/zinc/01/68/73/520016873.db2.gz KIHHMJORVZNTAC-UHFFFAOYSA-N 0 3 278.287 2.088 10 5 CEBEHN CC[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2N)CC1 ZINC000055066664 522134592 /nfs/dbraw/zinc/13/45/92/522134592.db2.gz WYSMFBBUJCMYQM-LLVKDONJSA-N 0 3 278.356 2.098 10 5 CEBEHN CN[C@@H](C)c1cnn(Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000054720790 522340986 /nfs/dbraw/zinc/34/09/86/522340986.db2.gz XPYGPYYCLGNCBO-JTQLQIEISA-N 0 3 260.297 2.120 10 5 CEBEHN CN[C@H](C)c1cnn(Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000054720792 522453228 /nfs/dbraw/zinc/45/32/28/522453228.db2.gz XPYGPYYCLGNCBO-SNVBAGLBSA-N 0 3 260.297 2.120 10 5 CEBEHN CN(Cc1ccc(N)c([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000050815039 523261111 /nfs/dbraw/zinc/26/11/11/523261111.db2.gz LCDQFEAFWJMCJJ-LBPRGKRZSA-N 0 3 279.340 2.178 10 5 CEBEHN C[C@@H](CN1CCCCC1)Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050455469 524609153 /nfs/dbraw/zinc/60/91/53/524609153.db2.gz GYLLKEHGCAZMCP-VIFPVBQESA-N 0 3 299.762 2.325 10 5 CEBEHN O=[N+]([O-])c1cc(CN[C@H]2CCC[C@@H](O)C2)cs1 ZINC000037563137 361904675 /nfs/dbraw/zinc/90/46/75/361904675.db2.gz INWIJVLCYPUWFE-VHSXEESVSA-N 0 3 256.327 2.049 10 5 CEBEHN CC[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])[C@H](CC)CN1 ZINC000086446082 179294807 /nfs/dbraw/zinc/29/48/07/179294807.db2.gz GNIAJCJZHUDOGK-VXGBXAGGSA-N 0 3 291.351 2.197 10 5 CEBEHN CC[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H](CC)CN1 ZINC000086446087 179294840 /nfs/dbraw/zinc/29/48/40/179294840.db2.gz GNIAJCJZHUDOGK-RYUDHWBXSA-N 0 3 291.351 2.197 10 5 CEBEHN C[N@@H+]1CCC[C@H](Nc2ccc([O-])cc2[N+](=O)[O-])CC1 ZINC000086818571 179346798 /nfs/dbraw/zinc/34/67/98/179346798.db2.gz SKAVCGMZGUTABT-JTQLQIEISA-N 0 3 265.313 2.197 10 5 CEBEHN C[N@H+]1CCC[C@H](Nc2ccc([O-])cc2[N+](=O)[O-])CC1 ZINC000086818571 179346800 /nfs/dbraw/zinc/34/68/00/179346800.db2.gz SKAVCGMZGUTABT-JTQLQIEISA-N 0 3 265.313 2.197 10 5 CEBEHN Cc1ccc([C@H](C)NC[C@@H](C)[S@](C)=O)cc1[N+](=O)[O-] ZINC000090841546 180043650 /nfs/dbraw/zinc/04/36/50/180043650.db2.gz AOWGRBFFJXLITC-RMDKCXRXSA-N 0 3 284.381 2.321 10 5 CEBEHN CCNc1ccc([N+](=O)[O-])cc1CN(C)CCN(C)C ZINC000111146136 186358917 /nfs/dbraw/zinc/35/89/17/186358917.db2.gz JINRDLMHUYIXNS-UHFFFAOYSA-N 0 3 280.372 2.020 10 5 CEBEHN C[C@@H]1CCC[C@@](N)(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000080930945 177731952 /nfs/dbraw/zinc/73/19/52/177731952.db2.gz QQUMXPVSTXKUPE-ABAIWWIYSA-N 0 3 291.351 2.119 10 5 CEBEHN CCC(N)(CC)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000094243659 184769092 /nfs/dbraw/zinc/76/90/92/184769092.db2.gz ZRPQHKNDOPEIFQ-UHFFFAOYSA-N 0 3 269.276 2.190 10 5 CEBEHN N=C(N)c1cccnc1Oc1ccccc1[N+](=O)[O-] ZINC000038080564 174090068 /nfs/dbraw/zinc/09/00/68/174090068.db2.gz QBJWVBQPDANBGF-UHFFFAOYSA-N 0 3 258.237 2.066 10 5 CEBEHN CO[C@@H]1CN[C@H](c2nc(-c3ccccc3[N+](=O)[O-])c[nH]2)C1 ZINC000040637810 174362094 /nfs/dbraw/zinc/36/20/94/174362094.db2.gz LGIMVDQQRKAAAV-ONGXEEELSA-N 0 3 288.307 2.034 10 5 CEBEHN CCCNC(=O)CCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000045071558 175301255 /nfs/dbraw/zinc/30/12/55/175301255.db2.gz FSZUYDIGMILVPG-NSHDSACASA-N 0 3 279.340 2.162 10 5 CEBEHN CCCNC(=O)CCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000045071560 175301546 /nfs/dbraw/zinc/30/15/46/175301546.db2.gz FSZUYDIGMILVPG-LLVKDONJSA-N 0 3 279.340 2.162 10 5 CEBEHN C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)CN1 ZINC000086471070 274363393 /nfs/dbraw/zinc/36/33/93/274363393.db2.gz OOPFQSDJISZHPI-RKDXNWHRSA-N 0 3 269.732 2.435 10 5 CEBEHN CC(C)[C@H](CN(C)C)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000049204901 519814631 /nfs/dbraw/zinc/81/46/31/519814631.db2.gz ABBGZZBFVNJTHE-ZDUSSCGKSA-N 0 3 283.347 2.410 10 5 CEBEHN CCCCOC(=O)COc1cc(CNC)ccc1[N+](=O)[O-] ZINC000050516658 520713539 /nfs/dbraw/zinc/71/35/39/520713539.db2.gz JTBLVXWJZJUQCG-UHFFFAOYSA-N 0 3 296.323 2.036 10 5 CEBEHN CCCN(CCO)Cc1ccc(NCC)c([N+](=O)[O-])c1 ZINC000050815795 521666791 /nfs/dbraw/zinc/66/67/91/521666791.db2.gz XJTGOFMTKANZNY-UHFFFAOYSA-N 0 3 281.356 2.231 10 5 CEBEHN CNc1ccc(CN(C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000050815910 522607375 /nfs/dbraw/zinc/60/73/75/522607375.db2.gz RPTHPYLGFLKIAE-GFCCVEGCSA-N 0 3 279.340 2.247 10 5 CEBEHN C[C@H](CNc1ncnc(Cl)c1[N+](=O)[O-])N1CCCCC1 ZINC000050455849 524514203 /nfs/dbraw/zinc/51/42/03/524514203.db2.gz UXFIISUPRYOWJE-SECBINFHSA-N 0 3 299.762 2.325 10 5 CEBEHN Cc1ccc([N+](=O)[O-])cc1OCc1cccnc1C(=N)N ZINC000061658817 526086049 /nfs/dbraw/zinc/08/60/49/526086049.db2.gz DSPIEORMFFFHNR-UHFFFAOYSA-N 0 3 286.291 2.161 10 5 CEBEHN Cn1c(Cl)cnc1COc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516233 527070360 /nfs/dbraw/zinc/07/03/60/527070360.db2.gz ZFAHOBCNRJOGEN-UHFFFAOYSA-N 0 3 296.714 2.019 10 5 CEBEHN O=[N+]([O-])c1ccc(CNC2CC2)cc1OCC(F)F ZINC000050517289 527351045 /nfs/dbraw/zinc/35/10/45/527351045.db2.gz VDZBBSCJSZKIDZ-UHFFFAOYSA-N 0 3 272.251 2.491 10 5 CEBEHN C[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])[C@H](C)CN1 ZINC000086471254 344099581 /nfs/dbraw/zinc/09/95/81/344099581.db2.gz KFBPUMHTKDQNJS-GHMZBOCLSA-N 0 3 286.335 2.330 10 5 CEBEHN COc1cc(OCCN2CCCCC2)ccc1[N+](=O)[O-] ZINC000117650883 344289981 /nfs/dbraw/zinc/28/99/81/344289981.db2.gz SBXWASJGZMNYIT-UHFFFAOYSA-N 0 3 280.324 2.468 10 5 CEBEHN N[C@H](C[S@](=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000084034794 178774543 /nfs/dbraw/zinc/77/45/43/178774543.db2.gz SURMESSYBXKLDT-JLTOFOAXSA-N 0 3 290.344 2.402 10 5 CEBEHN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](CC)CN1 ZINC000086446076 179295033 /nfs/dbraw/zinc/29/50/33/179295033.db2.gz SYAHTPOQVDRMRS-OLZOCXBDSA-N 0 3 291.351 2.197 10 5 CEBEHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000086467620 179297906 /nfs/dbraw/zinc/29/79/06/179297906.db2.gz YXMQOBZQYCCQJJ-DTWKUNHWSA-N 0 3 297.742 2.071 10 5 CEBEHN O=[N+]([O-])c1cc(F)cc(NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000091672901 180224142 /nfs/dbraw/zinc/22/41/42/180224142.db2.gz ZFLPAQMFJAUFHN-OCCSQVGLSA-N 0 3 295.314 2.009 10 5 CEBEHN CCNc1ccnc(Cn2nc(C)c([N+](=O)[O-])c2C)c1 ZINC000092419631 180382556 /nfs/dbraw/zinc/38/25/56/180382556.db2.gz MHQAQZJKPUOQQF-UHFFFAOYSA-N 0 3 275.312 2.283 10 5 CEBEHN O=[N+]([O-])c1ccc(CCN2CCN3CCCC[C@H]3C2)cc1 ZINC000246229999 370931843 /nfs/dbraw/zinc/93/18/43/370931843.db2.gz RWGJUOSYHUOCRR-INIZCTEOSA-N 0 3 289.379 2.307 10 5 CEBEHN CC(C)N1C[C@@H](C)[C@@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000192485214 369819307 /nfs/dbraw/zinc/81/93/07/369819307.db2.gz DSFMFPLZUNBNEI-BDAKNGLRSA-N 0 3 270.358 2.192 10 5 CEBEHN COc1ccc([N+](=O)[O-])cc1CNC[C@@H](O)C(C)(C)C ZINC000324433956 376839570 /nfs/dbraw/zinc/83/95/70/376839570.db2.gz CESXAABXBAPIEP-CYBMUJFWSA-N 0 3 282.340 2.100 10 5 CEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CNC1CCCC1 ZINC000021265757 171300274 /nfs/dbraw/zinc/30/02/74/171300274.db2.gz XBJSSUVGMDUISF-UHFFFAOYSA-N 0 3 293.323 2.074 10 5 CEBEHN CC[C@@H](C)NCC(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000037386453 173170173 /nfs/dbraw/zinc/17/01/73/173170173.db2.gz KFNDSGDISHUUKI-SNVBAGLBSA-N 0 3 265.313 2.230 10 5 CEBEHN C[C@@H](CNc1nc(Cl)ccc1[N+](=O)[O-])N(C)C ZINC000045112748 175310717 /nfs/dbraw/zinc/31/07/17/175310717.db2.gz BJPWNYQEYXTRMR-ZETCQYMHSA-N 0 3 258.709 2.005 10 5 CEBEHN C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)[C@H](C)CN1 ZINC000086471084 278804812 /nfs/dbraw/zinc/80/48/12/278804812.db2.gz AENHNHJUAFEMML-GHMZBOCLSA-N 0 3 286.335 2.330 10 5 CEBEHN CCNc1ccc(CN2CCCN(C)CC2)cc1[N+](=O)[O-] ZINC000050812379 520301173 /nfs/dbraw/zinc/30/11/73/520301173.db2.gz FTSUTICVTJTOND-UHFFFAOYSA-N 0 3 292.383 2.164 10 5 CEBEHN CCNc1ccc([N+](=O)[O-])cc1CN1CCCN(C)CC1 ZINC000050812381 520330116 /nfs/dbraw/zinc/33/01/16/520330116.db2.gz DJFIPMSBDXEGPF-UHFFFAOYSA-N 0 3 292.383 2.164 10 5 CEBEHN CNCc1cnc(-c2cc([N+](=O)[O-])ccc2C)nc1 ZINC000054855471 522146840 /nfs/dbraw/zinc/14/68/40/522146840.db2.gz YVKKBLHWGVRYNU-UHFFFAOYSA-N 0 3 258.281 2.080 10 5 CEBEHN CC[C@@H](O)CCNCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000127346933 187298729 /nfs/dbraw/zinc/29/87/29/187298729.db2.gz JQSQLDRNZRWXPZ-SNVBAGLBSA-N 0 3 272.732 2.499 10 5 CEBEHN CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](CC)CN1 ZINC000086447601 179296044 /nfs/dbraw/zinc/29/60/44/179296044.db2.gz FIPAVUYTXHEZGU-UWVGGRQHSA-N 0 3 297.380 2.259 10 5 CEBEHN CCn1nc(C)cc1COc1ccc([N+](=O)[O-])cc1CN ZINC000089181385 179745455 /nfs/dbraw/zinc/74/54/55/179745455.db2.gz QSGVDUGCAHWPNJ-UHFFFAOYSA-N 0 3 290.323 2.157 10 5 CEBEHN CCCc1nn(C)c(NC[C@H]2CCCCN2C)c1[N+](=O)[O-] ZINC000091584140 180199611 /nfs/dbraw/zinc/19/96/11/180199611.db2.gz YMKDQCCVLQKKFI-LLVKDONJSA-N 0 3 295.387 2.177 10 5 CEBEHN CCCN[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2F)C1=O ZINC000071036992 535191720 /nfs/dbraw/zinc/19/17/20/535191720.db2.gz QHUVPRPHMCFONI-LBPRGKRZSA-N 0 3 295.314 2.229 10 5 CEBEHN C[C@H]1OCC[C@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000149661385 366590571 /nfs/dbraw/zinc/59/05/71/366590571.db2.gz SUHMLSTZRNKMFE-LDYMZIIASA-N 0 3 254.261 2.001 10 5 CEBEHN O=[N+]([O-])c1ccc(CN2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000177101304 189028415 /nfs/dbraw/zinc/02/84/15/189028415.db2.gz SSYYWLDVXNXAPH-OAHLLOKOSA-N 0 3 286.335 2.456 10 5 CEBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)C ZINC000094420336 364274036 /nfs/dbraw/zinc/27/40/36/364274036.db2.gz PRVYHAUNRPWYPE-UHFFFAOYSA-N 0 3 265.313 2.230 10 5 CEBEHN O=[N+]([O-])c1cc(CN2CCN3CCCC[C@H]3C2)cs1 ZINC000246218471 370928794 /nfs/dbraw/zinc/92/87/94/370928794.db2.gz PYRIZBDFDIAUME-LBPRGKRZSA-N 0 3 281.381 2.326 10 5 CEBEHN CCN1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000389446859 375304059 /nfs/dbraw/zinc/30/40/59/375304059.db2.gz PEWSHKUPANIRKP-LLVKDONJSA-N 0 3 283.759 2.432 10 5 CEBEHN C[C@H]1NC(=O)CC[C@H]1NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000282223836 375432149 /nfs/dbraw/zinc/43/21/49/375432149.db2.gz FATWTCSAMGMAHH-LDYMZIIASA-N 0 3 297.742 2.005 10 5 CEBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC1CCCC1 ZINC000021265724 171300502 /nfs/dbraw/zinc/30/05/02/171300502.db2.gz BUOCXOFYJDPPGC-UHFFFAOYSA-N 0 3 293.323 2.074 10 5 CEBEHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H]1CN(C)C ZINC000061644771 518290780 /nfs/dbraw/zinc/29/07/80/518290780.db2.gz VMKILASOGAISLN-CYBMUJFWSA-N 0 3 291.351 2.328 10 5 CEBEHN CC[C@H](C)N(CCOC)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050816984 523939694 /nfs/dbraw/zinc/93/96/94/523939694.db2.gz NFOUITVTEINFGG-NSHDSACASA-N 0 3 281.356 2.424 10 5 CEBEHN Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)CN1CCCC1 ZINC000052812648 525578734 /nfs/dbraw/zinc/57/87/34/525578734.db2.gz FHGOLDDEUWRRPS-NSHDSACASA-N 0 3 264.329 2.194 10 5 CEBEHN C[C@H](O)COc1ccc([N+](=O)[O-])cc1CNC(C)(C)C ZINC000062732009 525787528 /nfs/dbraw/zinc/78/75/28/525787528.db2.gz RAYRECYWALTOQP-JTQLQIEISA-N 0 3 282.340 2.243 10 5 CEBEHN Cc1ccc(CN[C@@H]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000037321092 343426696 /nfs/dbraw/zinc/42/66/96/343426696.db2.gz DEZRRVQKQJUZII-OLZOCXBDSA-N 0 3 264.325 2.296 10 5 CEBEHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCCN(CC)C1 ZINC000336842920 365917424 /nfs/dbraw/zinc/91/74/24/365917424.db2.gz VOAADAHNSUVCGZ-LLVKDONJSA-N 0 3 281.360 2.016 10 5 CEBEHN Cc1cc(N[C@@H](CN(C)C)C(C)C)ncc1[N+](=O)[O-] ZINC000092026957 180308663 /nfs/dbraw/zinc/30/86/63/180308663.db2.gz ZBKYCMYMZSISFY-NSHDSACASA-N 0 3 266.345 2.296 10 5 CEBEHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(F)c(F)c1 ZINC000181621485 189302779 /nfs/dbraw/zinc/30/27/79/189302779.db2.gz XRQHEKYPKPQUMT-VIFPVBQESA-N 0 3 296.277 2.420 10 5 CEBEHN CCN1CC[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000389290509 375301386 /nfs/dbraw/zinc/30/13/86/375301386.db2.gz XIVQTMMCIZTMMK-AAEUAGOBSA-N 0 3 263.341 2.340 10 5 CEBEHN C[C@H]1NC(=O)CC[C@@H]1NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000282222345 375432258 /nfs/dbraw/zinc/43/22/58/375432258.db2.gz FATWTCSAMGMAHH-KCJUWKMLSA-N 0 3 297.742 2.005 10 5 CEBEHN O=[N+]([O-])c1cccc2oc(N[C@H]3CN4CCC3CC4)nc21 ZINC000094355514 184788030 /nfs/dbraw/zinc/78/80/30/184788030.db2.gz HEZDQZMNJGJGLK-JTQLQIEISA-N 0 3 288.307 2.242 10 5 CEBEHN CC(C)N[C@H]1CCCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000071038893 134957287 /nfs/dbraw/zinc/95/72/87/134957287.db2.gz BUYRLFJPGVEZPQ-ZDUSSCGKSA-N 0 3 277.324 2.088 10 5 CEBEHN CCN(CC)CCOc1ccc([N+](=O)[O-])cc1C=O ZINC000035412713 172184801 /nfs/dbraw/zinc/18/48/01/172184801.db2.gz RUZUIDPVTDQDPM-UHFFFAOYSA-N 0 3 266.297 2.128 10 5 CEBEHN CCCN[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C)C1=O ZINC000071034779 176024995 /nfs/dbraw/zinc/02/49/95/176024995.db2.gz QLVXTCDOPLLPQP-LBPRGKRZSA-N 0 3 277.324 2.008 10 5 CEBEHN CCCOc1cc(CNCCOC)ccc1[N+](=O)[O-] ZINC000062733360 520306664 /nfs/dbraw/zinc/30/66/64/520306664.db2.gz ZTKGHEDWZVRBGJ-UHFFFAOYSA-N 0 3 268.313 2.120 10 5 CEBEHN CC(C)NCc1ccc([N+](=O)[O-])c(O[C@H]2CCC[C@@H]2O)c1 ZINC000050517161 519727217 /nfs/dbraw/zinc/72/72/17/519727217.db2.gz HLAORYRQLNRIPX-KBPBESRZSA-N 0 3 294.351 2.385 10 5 CEBEHN CCCN1CCN(Cc2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000050792104 519858991 /nfs/dbraw/zinc/85/89/91/519858991.db2.gz GNEVIQTWPNXGLP-UHFFFAOYSA-N 0 3 292.383 2.164 10 5 CEBEHN CCNCc1ccc([N+](=O)[O-])c(OCC(F)F)c1 ZINC000050517028 520002234 /nfs/dbraw/zinc/00/22/34/520002234.db2.gz MEFGQWNOXZYRLI-UHFFFAOYSA-N 0 3 260.240 2.348 10 5 CEBEHN CCN1CCC(N(C)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC000052841221 521566859 /nfs/dbraw/zinc/56/68/59/521566859.db2.gz ILYLYKJZPZLINT-UHFFFAOYSA-N 0 3 278.356 2.098 10 5 CEBEHN COc1ccc(CNC[C@@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000112382818 344273253 /nfs/dbraw/zinc/27/32/53/344273253.db2.gz ALXGSZCOSLIYRZ-CYBMUJFWSA-N 0 3 282.340 2.100 10 5 CEBEHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000090539439 180000271 /nfs/dbraw/zinc/00/02/71/180000271.db2.gz SOLIJZBGOSMYBA-VIFPVBQESA-N 0 3 266.326 2.204 10 5 CEBEHN CCCc1nn(C)c(NC2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000091580979 180199032 /nfs/dbraw/zinc/19/90/32/180199032.db2.gz HVFHFLPKCXQLFG-UHFFFAOYSA-N 0 3 295.387 2.177 10 5 CEBEHN CC(C)[C@H](CO)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000092393564 180376332 /nfs/dbraw/zinc/37/63/32/180376332.db2.gz RYPVLFYVTPXCCO-PWSUYJOCSA-N 0 3 252.314 2.262 10 5 CEBEHN CCC[C@H](N)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000119862308 186857541 /nfs/dbraw/zinc/85/75/41/186857541.db2.gz VFQSIXFOCGBJCY-LBPRGKRZSA-N 0 3 279.340 2.074 10 5 CEBEHN C[C@H](NC[C@H](O)COC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180451952 189255651 /nfs/dbraw/zinc/25/56/51/189255651.db2.gz GOYYIHALMVFFPR-FZMZJTMJSA-N 0 3 296.367 2.421 10 5 CEBEHN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CN(C(C)C)C[C@H]2C)n1 ZINC000247027225 371050792 /nfs/dbraw/zinc/05/07/92/371050792.db2.gz NILAAJKOXLDAIE-ZYHUDNBSSA-N 0 3 278.356 2.439 10 5 CEBEHN CCN1CC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000389350969 375303243 /nfs/dbraw/zinc/30/32/43/375303243.db2.gz LDEUXHZUWVNLGU-QMMMGPOBSA-N 0 3 293.352 2.106 10 5 CEBEHN Cc1nc2cc(NCCN(C)C)c([N+](=O)[O-])cc2s1 ZINC000035342514 172134751 /nfs/dbraw/zinc/13/47/51/172134751.db2.gz YAZZSBKLAMTIQN-UHFFFAOYSA-N 0 3 280.353 2.486 10 5 CEBEHN COc1ccc([N+](=O)[O-])cc1CNCC1CCC1 ZINC000037180526 173013021 /nfs/dbraw/zinc/01/30/21/173013021.db2.gz VSWUGVFEWNHLOK-UHFFFAOYSA-N 0 3 250.298 2.493 10 5 CEBEHN O=[N+]([O-])c1ccc(CNCCc2ccc(O)cc2)o1 ZINC000040736149 174389019 /nfs/dbraw/zinc/38/90/19/174389019.db2.gz UKTWFCFQFSNMNI-UHFFFAOYSA-N 0 3 262.265 2.226 10 5 CEBEHN CCC[C@@H](NCCC(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000044988909 175285453 /nfs/dbraw/zinc/28/54/53/175285453.db2.gz SYZYUSYIZFMRQF-CYBMUJFWSA-N 0 3 279.340 2.162 10 5 CEBEHN CC[C@H](NC[C@H](O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000071300051 176113078 /nfs/dbraw/zinc/11/30/78/176113078.db2.gz BPIUPOBFXWNSIZ-KBPBESRZSA-N 0 3 264.325 2.406 10 5 CEBEHN CC(C)NCc1nccn1Cc1ccccc1[N+](=O)[O-] ZINC000051014762 519729293 /nfs/dbraw/zinc/72/92/93/519729293.db2.gz DZFCVGWMQIMPKZ-UHFFFAOYSA-N 0 3 274.324 2.338 10 5 CEBEHN CCNCc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054831188 519988076 /nfs/dbraw/zinc/98/80/76/519988076.db2.gz LBJAMXBZIVTKHO-UHFFFAOYSA-N 0 3 272.308 2.470 10 5 CEBEHN CCNCc1ccc([N+](=O)[O-])c(O[C@H]2CCCC[C@@H]2O)c1 ZINC000050516971 520001073 /nfs/dbraw/zinc/00/10/73/520001073.db2.gz IRNGPNSHKULEJN-KBPBESRZSA-N 0 3 294.351 2.387 10 5 CEBEHN CCNCc1cnc(-c2ccccc2[N+](=O)[O-])nc1 ZINC000054855689 520015762 /nfs/dbraw/zinc/01/57/62/520015762.db2.gz YJSYSHIRNBXSRU-UHFFFAOYSA-N 0 3 258.281 2.161 10 5 CEBEHN CCNCc1nccn1CCc1ccc([N+](=O)[O-])cc1 ZINC000051004801 520022828 /nfs/dbraw/zinc/02/28/28/520022828.db2.gz PBVBCRMXNLURIV-UHFFFAOYSA-N 0 3 274.324 2.144 10 5 CEBEHN CCCOc1ccc(CNCCOC)cc1[N+](=O)[O-] ZINC000062730710 520366712 /nfs/dbraw/zinc/36/67/12/520366712.db2.gz KAWAVSQIOPTHAZ-UHFFFAOYSA-N 0 3 268.313 2.120 10 5 CEBEHN CN[C@H](C)c1cnn(Cc2ccccc2[N+](=O)[O-])c1 ZINC000054720780 522453604 /nfs/dbraw/zinc/45/36/04/522453604.db2.gz IRHSSHDYTZUFGS-SNVBAGLBSA-N 0 3 260.297 2.120 10 5 CEBEHN NCc1ccc([N+](=O)[O-])c(OCCOCC(F)(F)F)c1 ZINC000050516042 527258174 /nfs/dbraw/zinc/25/81/74/527258174.db2.gz KHFBHIPZKYWQFP-UHFFFAOYSA-N 0 3 294.229 2.011 10 5 CEBEHN O=[N+]([O-])c1ccccc1CCNCc1cccnc1 ZINC000062726233 527398548 /nfs/dbraw/zinc/39/85/48/527398548.db2.gz PKCFPJGLPTVOBL-UHFFFAOYSA-N 0 3 257.293 2.322 10 5 CEBEHN C[C@H]1Oc2c(c(Br)ccc2[N+](=O)[O-])[C@@H]1N ZINC000757176022 574511280 /nfs/dbraw/zinc/51/12/80/574511280.db2.gz SWIUXUUBWPPDOX-SPGJFGJESA-N 0 3 273.086 2.138 10 5 CEBEHN O=[N+]([O-])c1ccc(F)cc1CN1CCN2CCCC[C@@H]2C1 ZINC000177757267 625871276 /nfs/dbraw/zinc/87/12/76/625871276.db2.gz KHPCAQGIHPJAFJ-CQSZACIVSA-N 0 3 293.342 2.404 10 5 CEBEHN CC(C)(C)[C@@H](N)C[S@@](=O)c1ccccc1[N+](=O)[O-] ZINC000084033295 178774122 /nfs/dbraw/zinc/77/41/22/178774122.db2.gz HIRRXIJAFDUWJQ-VOJFVSQTSA-N 0 3 270.354 2.076 10 5 CEBEHN CN(C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000062969302 362737360 /nfs/dbraw/zinc/73/73/60/362737360.db2.gz ZEFSVSMMDQDKDJ-JTQLQIEISA-N 0 3 297.742 2.024 10 5 CEBEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000086446086 179294905 /nfs/dbraw/zinc/29/49/05/179294905.db2.gz GNIAJCJZHUDOGK-NWDGAFQWSA-N 0 3 291.351 2.197 10 5 CEBEHN CC(C)c1nn(C)c(NC[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000091582882 180199056 /nfs/dbraw/zinc/19/90/56/180199056.db2.gz ZVTCJWMENJJQES-NSHDSACASA-N 0 3 295.387 2.205 10 5 CEBEHN CNc1ccc([N+](=O)[O-])cc1CN(C)C[C@H]1CCCOC1 ZINC000111170638 186365496 /nfs/dbraw/zinc/36/54/96/186365496.db2.gz PYRZQXVRJWGAAL-GFCCVEGCSA-N 0 3 293.367 2.495 10 5 CEBEHN Cc1cccc([C@H](C)NCCn2cc([N+](=O)[O-])cn2)c1 ZINC000130979356 366011416 /nfs/dbraw/zinc/01/14/16/366011416.db2.gz LVQSRIVEAULQCZ-LBPRGKRZSA-N 0 3 274.324 2.451 10 5 CEBEHN CCN1CCC[C@H]1CN(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000176976813 189018107 /nfs/dbraw/zinc/01/81/07/189018107.db2.gz UISLYAQSYDQXST-AWEZNQCLSA-N 0 3 291.351 2.151 10 5 CEBEHN O=[N+]([O-])c1c(F)cccc1N1CCN2CCC[C@@H]2C1 ZINC000096474809 285077157 /nfs/dbraw/zinc/07/71/57/285077157.db2.gz JIOSTZBVXVIIOX-SNVBAGLBSA-N 0 3 265.288 2.018 10 5 CEBEHN O=[N+]([O-])c1ccc(CN[C@@H]2CCCCC[C@H]2O)cc1 ZINC000037894592 285115213 /nfs/dbraw/zinc/11/52/13/285115213.db2.gz RYULCFJESZKDCB-ZIAGYGMSSA-N 0 3 264.325 2.378 10 5 CEBEHN O=[N+]([O-])c1ccc(N2CCN3CCCC[C@H]3C2)cc1 ZINC000298753236 285126253 /nfs/dbraw/zinc/12/62/53/285126253.db2.gz XAECANDAYMIUHX-AWEZNQCLSA-N 0 3 261.325 2.269 10 5 CEBEHN CC[C@@H](C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000037386463 173169409 /nfs/dbraw/zinc/16/94/09/173169409.db2.gz OHLGRXXBYJBFNE-MRVPVSSYSA-N 0 3 269.276 2.061 10 5 CEBEHN CCN1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000040503212 174299720 /nfs/dbraw/zinc/29/97/20/174299720.db2.gz WIQFPNPSZJCHBL-SNVBAGLBSA-N 0 3 294.311 2.399 10 5 CEBEHN CC(C)N[C@H]1CCN(c2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000071036915 176026071 /nfs/dbraw/zinc/02/60/71/176026071.db2.gz YCCKOVUELGHDIT-NSHDSACASA-N 0 3 297.742 2.352 10 5 CEBEHN C[C@@H]1CN[C@@H](C)CN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000086471086 278844198 /nfs/dbraw/zinc/84/41/98/278844198.db2.gz AENHNHJUAFEMML-WDEREUQCSA-N 0 3 286.335 2.330 10 5 CEBEHN CCCNCc1nccn1Cc1ccc([N+](=O)[O-])cc1 ZINC000051005181 519967405 /nfs/dbraw/zinc/96/74/05/519967405.db2.gz JIMKDSZJOKKTAV-UHFFFAOYSA-N 0 3 274.324 2.339 10 5 CEBEHN CNc1ccc(CN2CCN(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000050813888 522611195 /nfs/dbraw/zinc/61/11/95/522611195.db2.gz ROQUKONVFLNFFQ-UHFFFAOYSA-N 0 3 292.383 2.163 10 5 CEBEHN CCc1ccc(NC(=O)C(C)(C)NC)cc1[N+](=O)[O-] ZINC000061316480 523969421 /nfs/dbraw/zinc/96/94/21/523969421.db2.gz WUIHMXWNLFZPBC-UHFFFAOYSA-N 0 3 265.313 2.094 10 5 CEBEHN C[C@@H](CN1CCCCC1)Nc1ccc([N+](=O)[O-])cc1N ZINC000052840988 524607208 /nfs/dbraw/zinc/60/72/08/524607208.db2.gz HYYOBOVZICDROV-NSHDSACASA-N 0 3 278.356 2.463 10 5 CEBEHN C[C@H]1CNC[C@H](C)N1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000069133377 524695650 /nfs/dbraw/zinc/69/56/50/524695650.db2.gz IQIGFPWRXCDXOB-IUCAKERBSA-N 0 3 297.742 2.071 10 5 CEBEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000069133383 525095179 /nfs/dbraw/zinc/09/51/79/525095179.db2.gz PCXSQBAHKYYLKQ-RKDXNWHRSA-N 0 3 297.742 2.071 10 5 CEBEHN Cc1nc(-c2ccc([N+](=O)[O-])cc2)ncc1[C@H](C)N ZINC000054962587 526578813 /nfs/dbraw/zinc/57/88/13/526578813.db2.gz HXXNHBRAIJBGPJ-QMMMGPOBSA-N 0 3 258.281 2.380 10 5 CEBEHN Cc1c(NC[C@@H]2CN3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000091673150 180224162 /nfs/dbraw/zinc/22/41/62/180224162.db2.gz MGGIMCZRPQLZHP-CHWSQXEVSA-N 0 3 291.351 2.178 10 5 CEBEHN C[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCCO1 ZINC000094773244 364294538 /nfs/dbraw/zinc/29/45/38/364294538.db2.gz IUSNHIKGRWRERN-RNCFNFMXSA-N 0 3 268.288 2.391 10 5 CEBEHN Cc1cnn(CCN[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000231666394 370486143 /nfs/dbraw/zinc/48/61/43/370486143.db2.gz ONSOEISFPGYLMS-GFCCVEGCSA-N 0 3 274.324 2.451 10 5 CEBEHN CCN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000389765166 375308742 /nfs/dbraw/zinc/30/87/42/375308742.db2.gz ZSPFAVOQVALZKO-SECBINFHSA-N 0 3 297.742 2.072 10 5 CEBEHN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000192680121 153214491 /nfs/dbraw/zinc/21/44/91/153214491.db2.gz JUYDBMAMMWWIFA-CMPLNLGQSA-N 0 3 295.387 2.260 10 5 CEBEHN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000192680137 153215191 /nfs/dbraw/zinc/21/51/91/153215191.db2.gz JUYDBMAMMWWIFA-JQWIXIFHSA-N 0 3 295.387 2.260 10 5 CEBEHN Cc1c(CN2CC[C@@H](CCO)C2)cccc1[N+](=O)[O-] ZINC000227571691 153347438 /nfs/dbraw/zinc/34/74/38/153347438.db2.gz OVKNMBYIFQPDGX-LBPRGKRZSA-N 0 3 264.325 2.108 10 5 CEBEHN C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3s2)CCN1 ZINC000095069513 274368508 /nfs/dbraw/zinc/36/85/08/274368508.db2.gz QNCPZSXOBHUQJP-MRVPVSSYSA-N 0 3 278.337 2.003 10 5 CEBEHN CC(C)CN(CCN(C)C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050814878 519716717 /nfs/dbraw/zinc/71/67/17/519716717.db2.gz MPOVUABGKAWCLT-UHFFFAOYSA-N 0 3 294.399 2.197 10 5 CEBEHN CC(C)CNCc1cc([N+](=O)[O-])ccc1OC[C@@H](C)O ZINC000062732062 519747109 /nfs/dbraw/zinc/74/71/09/519747109.db2.gz GGZJFHBVUIOVOT-LLVKDONJSA-N 0 3 282.340 2.100 10 5 CEBEHN CCNCc1ccc([N+](=O)[O-])c(OCCOCC)c1 ZINC000050516951 520001777 /nfs/dbraw/zinc/00/17/77/520001777.db2.gz PWJYPOZLSOVCJI-UHFFFAOYSA-N 0 3 268.313 2.120 10 5 CEBEHN CCC(CC)N(CCO)Cc1cc([N+](=O)[O-])ccc1N ZINC000050816947 521552876 /nfs/dbraw/zinc/55/28/76/521552876.db2.gz YHPKPJNCFWAVDB-UHFFFAOYSA-N 0 3 281.356 2.160 10 5 CEBEHN CNc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1CN(C)C ZINC000061653218 522648117 /nfs/dbraw/zinc/64/81/17/522648117.db2.gz XWAZEHPQNMEHSZ-AWEZNQCLSA-N 0 3 292.383 2.163 10 5 CEBEHN COC(=O)COc1ccc([N+](=O)[O-])cc1CNC(C)(C)C ZINC000062732022 523228207 /nfs/dbraw/zinc/22/82/07/523228207.db2.gz QIVBNQTYLROGSN-UHFFFAOYSA-N 0 3 296.323 2.035 10 5 CEBEHN NNc1ccc(CN2CCCCCC2)cc1[N+](=O)[O-] ZINC000051146789 527278809 /nfs/dbraw/zinc/27/88/09/527278809.db2.gz ZXHOTVRUACQSSO-UHFFFAOYSA-N 0 3 264.329 2.256 10 5 CEBEHN O=[N+]([O-])c1ccc(-c2nccc(CNC3CC3)n2)cc1 ZINC000054791928 527342675 /nfs/dbraw/zinc/34/26/75/527342675.db2.gz ZMKRZADNMGQPNW-UHFFFAOYSA-N 0 3 270.292 2.304 10 5 CEBEHN O=[N+]([O-])c1ccc(NC[C@@H]2NCCc3ccccc32)nc1 ZINC000261704256 527365908 /nfs/dbraw/zinc/36/59/08/527365908.db2.gz OQCFXBQOBDFXTQ-AWEZNQCLSA-N 0 3 284.319 2.289 10 5 CEBEHN O=[N+]([O-])c1ccc(F)cc1CNC[C@H]1CCCC[C@@H]1O ZINC000085985340 179211387 /nfs/dbraw/zinc/21/13/87/179211387.db2.gz WUNAPGCZKBOUKH-YGRLFVJLSA-N 0 3 282.315 2.375 10 5 CEBEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000128909808 187398295 /nfs/dbraw/zinc/39/82/95/187398295.db2.gz GXQUXVWJBNUAMW-GFCCVEGCSA-N 0 3 293.367 2.301 10 5 CEBEHN CCN1CCC(Nc2c([N+](=O)[O-])c(C(C)C)nn2C)CC1 ZINC000091579815 180198502 /nfs/dbraw/zinc/19/85/02/180198502.db2.gz KLIXYFILQCEZDQ-UHFFFAOYSA-N 0 3 295.387 2.348 10 5 CEBEHN Cc1cc2c(c([N+](=O)[O-])c1Br)CNCC2 ZINC000675080837 540120357 /nfs/dbraw/zinc/12/03/57/540120357.db2.gz WOHRMFHFHQUMBN-UHFFFAOYSA-N 0 3 271.114 2.311 10 5 CEBEHN Cc1ccc(CN2CC[C@H](CCO)C2)cc1[N+](=O)[O-] ZINC000353674648 220248430 /nfs/dbraw/zinc/24/84/30/220248430.db2.gz SMBOVKBWWZLUPE-GFCCVEGCSA-N 0 3 264.325 2.108 10 5 CEBEHN CCN1CCC[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000040502455 174298654 /nfs/dbraw/zinc/29/86/54/174298654.db2.gz ODASFZLWHKBSQR-ZDUSSCGKSA-N 0 3 263.341 2.169 10 5 CEBEHN N=C(N)c1cccnc1Oc1ccc([N+](=O)[O-])c(F)c1 ZINC000043472979 175053696 /nfs/dbraw/zinc/05/36/96/175053696.db2.gz OIMDUJXMGOFJBU-UHFFFAOYSA-N 0 3 276.227 2.205 10 5 CEBEHN CC(C)COCCNCc1ccc([N+](=O)[O-])cc1 ZINC000075818880 176794735 /nfs/dbraw/zinc/79/47/35/176794735.db2.gz ACOAIXAKKGQLHJ-UHFFFAOYSA-N 0 3 252.314 2.357 10 5 CEBEHN Cc1cccc([N+](=O)[O-])c1N1CCN2CCC[C@@H]2C1 ZINC000171939248 281260602 /nfs/dbraw/zinc/26/06/02/281260602.db2.gz WFNLCTPRHAURLE-GFCCVEGCSA-N 0 3 261.325 2.188 10 5 CEBEHN C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000086471071 297078953 /nfs/dbraw/zinc/07/89/53/297078953.db2.gz OOPFQSDJISZHPI-BDAKNGLRSA-N 0 3 269.732 2.435 10 5 CEBEHN COC(=O)CCOc1cc(CNC(C)C)ccc1[N+](=O)[O-] ZINC000069317435 523104113 /nfs/dbraw/zinc/10/41/13/523104113.db2.gz FPRLUNMHEZQWKR-UHFFFAOYSA-N 0 3 296.323 2.035 10 5 CEBEHN COC(=O)CCOc1ccc([N+](=O)[O-])cc1CNC(C)C ZINC000069317193 523107135 /nfs/dbraw/zinc/10/71/35/523107135.db2.gz OINARTWLNFXUSZ-UHFFFAOYSA-N 0 3 296.323 2.035 10 5 CEBEHN NCc1ccc([N+](=O)[O-])c(OCc2ccccn2)c1 ZINC000050516617 527259050 /nfs/dbraw/zinc/25/90/50/527259050.db2.gz ZKRYEKIBEIHPGD-UHFFFAOYSA-N 0 3 259.265 2.028 10 5 CEBEHN Cc1ccc(CN[C@H]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000037321095 343426383 /nfs/dbraw/zinc/42/63/83/343426383.db2.gz DEZRRVQKQJUZII-QWHCGFSZSA-N 0 3 264.325 2.296 10 5 CEBEHN Cc1cc(NC(=O)CNC(C)C)c([N+](=O)[O-])cc1C ZINC000047864541 362227539 /nfs/dbraw/zinc/22/75/39/362227539.db2.gz NFRWAAOPXISTDU-UHFFFAOYSA-N 0 3 265.313 2.148 10 5 CEBEHN CC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](CC)CN1 ZINC000086446072 179294796 /nfs/dbraw/zinc/29/47/96/179294796.db2.gz CDLKWLKAEFDGND-STQMWFEESA-N 0 3 291.351 2.197 10 5 CEBEHN COc1ccc([N+](=O)[O-])cc1CNCCC1CC1 ZINC000088457077 179607864 /nfs/dbraw/zinc/60/78/64/179607864.db2.gz QOEAVTYGPAMXAV-UHFFFAOYSA-N 0 3 250.298 2.493 10 5 CEBEHN Cc1cnc(N[C@@H](CN(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000090692172 180024727 /nfs/dbraw/zinc/02/47/27/180024727.db2.gz DVBXTPRSOFAIHK-NSHDSACASA-N 0 3 266.345 2.296 10 5 CEBEHN O=[N+]([O-])c1ccccc1CN1CCC[C@@H]1CCCO ZINC000052761836 285159910 /nfs/dbraw/zinc/15/99/10/285159910.db2.gz GCNMYMRLXYJGPG-CYBMUJFWSA-N 0 3 264.325 2.332 10 5 CEBEHN CC1(C)CNCCN1c1c(F)c(F)ccc1[N+](=O)[O-] ZINC000088147110 135052966 /nfs/dbraw/zinc/05/29/66/135052966.db2.gz XJCWYDFTXJSGNM-UHFFFAOYSA-N 0 3 271.267 2.061 10 5 CEBEHN NC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000035231892 172071304 /nfs/dbraw/zinc/07/13/04/172071304.db2.gz PASUMNWQPLXWGN-UHFFFAOYSA-N 0 3 263.297 2.195 10 5 CEBEHN COc1ccc(NC(=O)CNC2CCCC2)c([N+](=O)[O-])c1 ZINC000037386872 173169419 /nfs/dbraw/zinc/16/94/19/173169419.db2.gz VSGIVAMBBKMFOB-UHFFFAOYSA-N 0 3 293.323 2.074 10 5 CEBEHN O=[N+]([O-])c1ccc(F)cc1CNCC[C@H]1CCCO1 ZINC000038096884 174111073 /nfs/dbraw/zinc/11/10/73/174111073.db2.gz BMTNXOVIXOCYGO-GFCCVEGCSA-N 0 3 268.288 2.393 10 5 CEBEHN CC(=O)c1ccc(N(C)C[C@@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC000071189366 176064912 /nfs/dbraw/zinc/06/49/12/176064912.db2.gz QTAIHLNDNVAXBJ-GFCCVEGCSA-N 0 3 291.351 2.185 10 5 CEBEHN C[C@@H]1CN2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000123018583 274375063 /nfs/dbraw/zinc/37/50/63/274375063.db2.gz AIYGVOZUTGLETC-NXEZZACHSA-N 0 3 296.758 2.316 10 5 CEBEHN CCN1CCC[C@H]1CN(C)c1nc(C)ccc1[N+](=O)[O-] ZINC000178244217 276183792 /nfs/dbraw/zinc/18/37/92/276183792.db2.gz TUXUBZKDGSLCDG-LBPRGKRZSA-N 0 3 278.356 2.219 10 5 CEBEHN CCC[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])N(C)C ZINC000179484237 280105769 /nfs/dbraw/zinc/10/57/69/280105769.db2.gz YKAYELXOEJELLZ-CQSZACIVSA-N 0 3 293.367 2.284 10 5 CEBEHN CCOC(=O)COc1cc(CNC(C)C)ccc1[N+](=O)[O-] ZINC000050517180 520798424 /nfs/dbraw/zinc/79/84/24/520798424.db2.gz GYPSGVVSLGZTCV-UHFFFAOYSA-N 0 3 296.323 2.035 10 5 CEBEHN CCN(Cc1ccc(N)c([N+](=O)[O-])c1)[C@@H](C)COC ZINC000050814946 521323180 /nfs/dbraw/zinc/32/31/80/521323180.db2.gz MNCQLADETBRMDD-JTQLQIEISA-N 0 3 267.329 2.034 10 5 CEBEHN CC[C@H](NC[C@@H](O)COC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181536679 522610928 /nfs/dbraw/zinc/61/09/28/522610928.db2.gz DIBYYKJXZJERAI-CABCVRRESA-N 0 3 296.367 2.421 10 5 CEBEHN NC[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000061611062 527202654 /nfs/dbraw/zinc/20/26/54/527202654.db2.gz SFYDTHAHIDFQNV-CQSZACIVSA-N 0 3 285.303 2.276 10 5 CEBEHN C[C@@H]1Oc2c(cc(Br)cc2[N+](=O)[O-])[C@H]1N ZINC000757175550 574511365 /nfs/dbraw/zinc/51/13/65/574511365.db2.gz ARZYCKCJQLRREG-NVNXEXLPSA-N 0 3 273.086 2.138 10 5 CEBEHN C[C@@H](CCO)NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000096811482 185115829 /nfs/dbraw/zinc/11/58/29/185115829.db2.gz NTHQSYPESOJOPH-QMMMGPOBSA-N 0 3 258.705 2.109 10 5 CEBEHN Cc1ccc(CN[C@@H]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000037321094 343426701 /nfs/dbraw/zinc/42/67/01/343426701.db2.gz DEZRRVQKQJUZII-CHWSQXEVSA-N 0 3 264.325 2.296 10 5 CEBEHN COc1cc(OCCN2CCCC2)ccc1[N+](=O)[O-] ZINC000117655321 344290001 /nfs/dbraw/zinc/29/00/01/344290001.db2.gz DTRWLLRALUHQPT-UHFFFAOYSA-N 0 3 266.297 2.078 10 5 CEBEHN Cc1cc(Br)cc([N+](=O)[O-])c1OC1CNC1 ZINC000086854240 179360389 /nfs/dbraw/zinc/36/03/89/179360389.db2.gz HYZHTXHATVMKFK-UHFFFAOYSA-N 0 3 287.113 2.016 10 5 CEBEHN Cc1ccc(-c2c[nH]c(C3(N)CC3)n2)cc1[N+](=O)[O-] ZINC000088131158 179554445 /nfs/dbraw/zinc/55/44/45/179554445.db2.gz VPMPSPDAWTZDAF-UHFFFAOYSA-N 0 3 258.281 2.241 10 5 CEBEHN Cc1cnc(N[C@@H](C)CN2CCCC2)c([N+](=O)[O-])c1 ZINC000090692159 180024657 /nfs/dbraw/zinc/02/46/57/180024657.db2.gz GREILIFGPHQSRV-NSHDSACASA-N 0 3 264.329 2.194 10 5 CEBEHN CCCc1nn(C)c(N[C@H](CN(C)C)C(C)C)c1[N+](=O)[O-] ZINC000091576603 180197736 /nfs/dbraw/zinc/19/77/36/180197736.db2.gz ZYCKBMFTUZPFIQ-GFCCVEGCSA-N 0 3 297.403 2.279 10 5 CEBEHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C)N1CCCCC1 ZINC000091549797 180188585 /nfs/dbraw/zinc/18/85/85/180188585.db2.gz CVKBUUMMGZIRHR-NSHDSACASA-N 0 3 295.387 2.406 10 5 CEBEHN CCCNc1ccnc(Cn2ccc([N+](=O)[O-])n2)c1 ZINC000092419734 180382775 /nfs/dbraw/zinc/38/27/75/180382775.db2.gz IKSIBXNTMTVSOJ-UHFFFAOYSA-N 0 3 261.285 2.057 10 5 CEBEHN CCN1CCC[C@H]1CN(C)c1cc(CO)ccc1[N+](=O)[O-] ZINC000302026773 201306987 /nfs/dbraw/zinc/30/69/87/201306987.db2.gz IKOOOISTYRTPAM-ZDUSSCGKSA-N 0 3 293.367 2.008 10 5 CEBEHN C[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])[C@@H](C)CN1 ZINC000086471255 363837769 /nfs/dbraw/zinc/83/77/69/363837769.db2.gz KFBPUMHTKDQNJS-MNOVXSKESA-N 0 3 286.335 2.330 10 5 CEBEHN C[C@H](NC[C@@H]1CCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000089163794 363943486 /nfs/dbraw/zinc/94/34/86/363943486.db2.gz WJQBFVZGGMQDRO-JKOKRWQUSA-N 0 3 264.325 2.406 10 5 CEBEHN O=[N+]([O-])c1ccc(CN2CCN3CCCC[C@@H]3C2)cc1 ZINC000172803323 367821787 /nfs/dbraw/zinc/82/17/87/367821787.db2.gz CUFBZNGOLBBMQU-OAHLLOKOSA-N 0 3 275.352 2.265 10 5 CEBEHN O=[N+]([O-])c1ccccc1CN1CCN2CCCC[C@H]2C1 ZINC000246202989 370926549 /nfs/dbraw/zinc/92/65/49/370926549.db2.gz NVPLZTFDYWXSAQ-AWEZNQCLSA-N 0 3 275.352 2.265 10 5 CEBEHN CC[C@@H]1CN2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])s1 ZINC000192478170 369818070 /nfs/dbraw/zinc/81/80/70/369818070.db2.gz NLDZLCPSOAMJEO-NXEZZACHSA-N 0 3 282.369 2.114 10 5 CEBEHN CCOc1cc(N[C@@H]2CCN(CC)C2)ccc1[N+](=O)[O-] ZINC000389249886 375300238 /nfs/dbraw/zinc/30/02/38/375300238.db2.gz GCXULVIYBUVVTG-GFCCVEGCSA-N 0 3 279.340 2.500 10 5 CEBEHN CCN1CC[C@H](NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000389293464 375301137 /nfs/dbraw/zinc/30/11/37/375301137.db2.gz YAPKHFVASFADIO-ZDUSSCGKSA-N 0 3 263.341 2.087 10 5 CEBEHN CC(C)N[C@@H]1CCCN(c2cc([N+](=O)[O-])ccc2F)C1=O ZINC000071040026 134957351 /nfs/dbraw/zinc/95/73/51/134957351.db2.gz QYVYQEWCRGBIKV-GFCCVEGCSA-N 0 3 295.314 2.227 10 5 CEBEHN CNCc1cc([N+](=O)[O-])ccc1OCC(F)(F)F ZINC000035414651 172188613 /nfs/dbraw/zinc/18/86/13/172188613.db2.gz MVKRPEQCDWVINJ-UHFFFAOYSA-N 0 3 264.203 2.255 10 5 CEBEHN CC[C@@H](C)NCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000037386449 173170009 /nfs/dbraw/zinc/17/00/09/173170009.db2.gz KGDGQHXRPNSBFX-SNVBAGLBSA-N 0 3 265.313 2.230 10 5 CEBEHN CCN1CCC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000040502986 174299577 /nfs/dbraw/zinc/29/95/77/174299577.db2.gz JSBQKHZAYBJMLK-LLVKDONJSA-N 0 3 269.370 2.230 10 5 CEBEHN CCC[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])N(C)C ZINC000179484228 280105725 /nfs/dbraw/zinc/10/57/25/280105725.db2.gz YKAYELXOEJELLZ-AWEZNQCLSA-N 0 3 293.367 2.284 10 5 CEBEHN CC[C@@H](C)N(CCOC)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050816983 522092221 /nfs/dbraw/zinc/09/22/21/522092221.db2.gz NFOUITVTEINFGG-LLVKDONJSA-N 0 3 281.356 2.424 10 5 CEBEHN CN[C@H](C)c1cnn(Cc2cccc([N+](=O)[O-])c2)c1 ZINC000054720805 522454634 /nfs/dbraw/zinc/45/46/34/522454634.db2.gz ZTDAFQKPHUFKCZ-SNVBAGLBSA-N 0 3 260.297 2.120 10 5 CEBEHN CN(Cc1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000050813273 523263673 /nfs/dbraw/zinc/26/36/73/523263673.db2.gz ZIGNTJKVHWTHOY-JTQLQIEISA-N 0 3 267.354 2.114 10 5 CEBEHN COC(=O)[C@H](C)Oc1cc(CNC(C)C)ccc1[N+](=O)[O-] ZINC000050517131 523886924 /nfs/dbraw/zinc/88/69/24/523886924.db2.gz RXLKVMDQUDZPLA-JTQLQIEISA-N 0 3 296.323 2.033 10 5 CEBEHN C[C@H](CN1CCCC1)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000049164323 524316347 /nfs/dbraw/zinc/31/63/47/524316347.db2.gz MGEYLZMIYIKPCF-LLVKDONJSA-N 0 3 281.331 2.308 10 5 CEBEHN C[C@H]1Oc2c(c(Br)ccc2[N+](=O)[O-])[C@H]1N ZINC000757176023 574511376 /nfs/dbraw/zinc/51/13/76/574511376.db2.gz SWIUXUUBWPPDOX-VHWMUFPASA-N 0 3 273.086 2.138 10 5 CEBEHN CC(C)(C)[C@@H](N)C[S@](=O)c1ccccc1[N+](=O)[O-] ZINC000084033297 178773768 /nfs/dbraw/zinc/77/37/68/178773768.db2.gz HIRRXIJAFDUWJQ-BBATYDOGSA-N 0 3 270.354 2.076 10 5 CEBEHN CC(C)NCc1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000089059848 179695845 /nfs/dbraw/zinc/69/58/45/179695845.db2.gz LRHHKIYHVBFJLN-UHFFFAOYSA-N 0 3 260.297 2.279 10 5 CEBEHN Cc1cnc(N[C@H](CN(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000090692173 180024925 /nfs/dbraw/zinc/02/49/25/180024925.db2.gz DVBXTPRSOFAIHK-LLVKDONJSA-N 0 3 266.345 2.296 10 5 CEBEHN CCCc1nn(C)c(NC[C@H]2CCCN2CC)c1[N+](=O)[O-] ZINC000091576567 180197818 /nfs/dbraw/zinc/19/78/18/180197818.db2.gz GIMJBLCQLZLTNQ-LLVKDONJSA-N 0 3 295.387 2.177 10 5 CEBEHN CC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](C)[C@@H](N(C)C)C1 ZINC000124301538 187131091 /nfs/dbraw/zinc/13/10/91/187131091.db2.gz YPZNOSVYIPWOQA-BMIGLBTASA-N 0 3 291.351 2.184 10 5 CEBEHN O=[N+]([O-])c1ccc2nc(OCCC3CC[NH2+]CC3)[n-]c2c1 ZINC000095092020 364337190 /nfs/dbraw/zinc/33/71/90/364337190.db2.gz ZFTSRAVBOUGQTM-UHFFFAOYSA-N 0 3 290.323 2.240 10 5 CEBEHN O=[N+]([O-])c1ccc2[n-]c(OCCC3CC[NH2+]CC3)nc2c1 ZINC000095092020 364337195 /nfs/dbraw/zinc/33/71/95/364337195.db2.gz ZFTSRAVBOUGQTM-UHFFFAOYSA-N 0 3 290.323 2.240 10 5 CEBEHN Cn1cc([C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000116315345 365049689 /nfs/dbraw/zinc/04/96/89/365049689.db2.gz KFGOISBAVYEXSO-CYBMUJFWSA-N 0 3 286.335 2.318 10 5 CEBEHN O=[N+]([O-])c1cccc(F)c1CN1CCN2CCCC[C@H]2C1 ZINC000246154712 370917147 /nfs/dbraw/zinc/91/71/47/370917147.db2.gz GWBPDEGVHWUCLH-LBPRGKRZSA-N 0 3 293.342 2.404 10 5 CEBEHN COCC[C@@H](C)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000081712004 177842975 /nfs/dbraw/zinc/84/29/75/177842975.db2.gz BEAGQKQCVBVYHJ-SECBINFHSA-N 0 3 256.277 2.249 10 5 CEBEHN CC(C)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037386070 173169101 /nfs/dbraw/zinc/16/91/01/173169101.db2.gz GRTAAGLGYIJWQW-UHFFFAOYSA-N 0 3 271.704 2.185 10 5 CEBEHN CN(C(=O)CNC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037395444 173175738 /nfs/dbraw/zinc/17/57/38/173175738.db2.gz OHLKZOTWLNUAJN-UHFFFAOYSA-N 0 3 277.324 2.090 10 5 CEBEHN CCN1CCC[C@H](NCc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC000040502977 174299690 /nfs/dbraw/zinc/29/96/90/174299690.db2.gz NQWQCVVKPXSXBS-NSHDSACASA-N 0 3 299.321 2.447 10 5 CEBEHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC1(C)C ZINC000045134142 175312228 /nfs/dbraw/zinc/31/22/28/175312228.db2.gz UDWFCYFVVQTVRJ-GFCCVEGCSA-N 0 3 250.298 2.492 10 5 CEBEHN CC(C)[C@@H](CN(C)C)NCc1csc([N+](=O)[O-])c1 ZINC000049199348 519793771 /nfs/dbraw/zinc/79/37/71/519793771.db2.gz KTIUGBQUSJRUFT-LLVKDONJSA-N 0 3 271.386 2.332 10 5 CEBEHN CC(C)CNCc1cc([N+](=O)[O-])ccc1OC[C@H](C)O ZINC000062732063 519747151 /nfs/dbraw/zinc/74/71/51/519747151.db2.gz GGZJFHBVUIOVOT-NSHDSACASA-N 0 3 282.340 2.100 10 5 CEBEHN CCNCc1cnc(-c2ccc([N+](=O)[O-])cc2)nc1 ZINC000054855698 520014869 /nfs/dbraw/zinc/01/48/69/520014869.db2.gz FPYVVEPWXKMWJM-UHFFFAOYSA-N 0 3 258.281 2.161 10 5 CEBEHN CN1CCC(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000070166475 523779870 /nfs/dbraw/zinc/77/98/70/523779870.db2.gz TZLMBVZFUAJLKI-UHFFFAOYSA-N 0 3 298.726 2.499 10 5 CEBEHN Cc1cc(NC(=O)C2(N)CCCC2)c([N+](=O)[O-])cc1C ZINC000050439848 525114839 /nfs/dbraw/zinc/11/48/39/525114839.db2.gz RVYNPTQMKINYLX-UHFFFAOYSA-N 0 3 277.324 2.422 10 5 CEBEHN C[C@@H]1CN[C@@H](C)CN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000086471256 344100165 /nfs/dbraw/zinc/10/01/65/344100165.db2.gz KFBPUMHTKDQNJS-WDEREUQCSA-N 0 3 286.335 2.330 10 5 CEBEHN O=[N+]([O-])C1COc2ccc(Br)cc2C1 ZINC000145384610 344408774 /nfs/dbraw/zinc/40/87/74/344408774.db2.gz RYAGBZLBMGKEIX-QMMMGPOBSA-N 0 3 258.071 2.029 10 5 CEBEHN Cc1ccc([C@H](C)NC[C@H](C)[S@](C)=O)cc1[N+](=O)[O-] ZINC000090841548 180043511 /nfs/dbraw/zinc/04/35/11/180043511.db2.gz AOWGRBFFJXLITC-ZHYXMNDGSA-N 0 3 284.381 2.321 10 5 CEBEHN CNc1ccc([N+](=O)[O-])cc1CN(C)CC1CCOCC1 ZINC000111170851 186365645 /nfs/dbraw/zinc/36/56/45/186365645.db2.gz KGKFZQQSFCRNLV-UHFFFAOYSA-N 0 3 293.367 2.495 10 5 CEBEHN CCN1CCC[C@@H](Nc2nccc(C)c2[N+](=O)[O-])C1 ZINC000070496003 363090922 /nfs/dbraw/zinc/09/09/22/363090922.db2.gz XOGZOXLPAZDNQE-LLVKDONJSA-N 0 3 264.329 2.194 10 5 CEBEHN Cc1ccc(NC(=O)CNC(C)(C)C)cc1[N+](=O)[O-] ZINC000016473614 361489335 /nfs/dbraw/zinc/48/93/35/361489335.db2.gz FRKFUCWPLBFRQQ-UHFFFAOYSA-N 0 3 265.313 2.230 10 5 CEBEHN Cc1ccc(CNC[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000089164941 363944494 /nfs/dbraw/zinc/94/44/94/363944494.db2.gz FQIYHTXUGFWBOU-JSGCOSHPSA-N 0 3 264.325 2.154 10 5 CEBEHN CC(C)N1C[C@@H](C)[C@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000249214992 371306329 /nfs/dbraw/zinc/30/63/29/371306329.db2.gz DSFMFPLZUNBNEI-RKDXNWHRSA-N 0 3 270.358 2.192 10 5 CEBEHN O=[N+]([O-])c1ccc(NC[C@H]2NCCc3ccccc32)cn1 ZINC000261755464 371721555 /nfs/dbraw/zinc/72/15/55/371721555.db2.gz UIHOVMDFNQVAKT-CQSZACIVSA-N 0 3 284.319 2.289 10 5 CEBEHN CCN1CC[C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000389293458 375300729 /nfs/dbraw/zinc/30/07/29/375300729.db2.gz YAPKHFVASFADIO-CYBMUJFWSA-N 0 3 263.341 2.087 10 5 CEBEHN CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000328169655 376846196 /nfs/dbraw/zinc/84/61/96/376846196.db2.gz JSWNFUXZOXOPOT-VIFPVBQESA-N 0 3 253.277 2.240 10 5 CEBEHN C[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCCO1 ZINC000094773245 184859632 /nfs/dbraw/zinc/85/96/32/184859632.db2.gz IUSNHIKGRWRERN-TVQRCGJNSA-N 0 3 268.288 2.391 10 5 CEBEHN CC(=O)c1ccc(N2C[C@H](C)[C@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000251714943 131130660 /nfs/dbraw/zinc/13/06/60/131130660.db2.gz JPPRMTRGWRBZJU-ZUZCIYMTSA-N 0 3 291.351 2.184 10 5 CEBEHN O=C(CNC1CCCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000037386881 173171148 /nfs/dbraw/zinc/17/11/48/173171148.db2.gz IBSISCGCJIEQPJ-UHFFFAOYSA-N 0 3 281.287 2.205 10 5 CEBEHN CCN(Cc1ccc(NC)c([N+](=O)[O-])c1)[C@H](C)COC ZINC000050814977 521323011 /nfs/dbraw/zinc/32/30/11/521323011.db2.gz KVTFYUMKTSOUPC-LLVKDONJSA-N 0 3 281.356 2.493 10 5 CEBEHN CCOC(=O)C[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000052926278 520881675 /nfs/dbraw/zinc/88/16/75/520881675.db2.gz BYUCJSNTTDNCLF-JTQLQIEISA-N 0 3 266.297 2.026 10 5 CEBEHN CNCc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054830953 522104529 /nfs/dbraw/zinc/10/45/29/522104529.db2.gz VEQQDQQHGNSSEQ-UHFFFAOYSA-N 0 3 258.281 2.080 10 5 CEBEHN Cc1ccc(OCc2ccnc(C(=N)N)c2)c([N+](=O)[O-])c1 ZINC000068762665 525445954 /nfs/dbraw/zinc/44/59/54/525445954.db2.gz JPRKETFQJZLNNK-UHFFFAOYSA-N 0 3 286.291 2.161 10 5 CEBEHN O=[N+]([O-])c1ccccc1CCN1CCC[C@@H]1CCCO ZINC000062727303 527397706 /nfs/dbraw/zinc/39/77/06/527397706.db2.gz PINRZDGFZOYPJF-CQSZACIVSA-N 0 3 278.352 2.374 10 5 CEBEHN CC(C)CN1CCN(c2cc([N+](=O)[O-])cc(Cl)n2)CC1 ZINC000219953444 719329006 /nfs/dbraw/zinc/32/90/06/719329006.db2.gz SYEPJKLQXWNWLY-UHFFFAOYSA-N 0 3 298.774 2.421 10 5 CEBEHN CN(C)CCOc1ccc(Br)cc1[N+](=O)[O-] ZINC000042389921 362090213 /nfs/dbraw/zinc/09/02/13/362090213.db2.gz FKMXIJZCKLFTKI-UHFFFAOYSA-N 0 3 289.129 2.298 10 5 CEBEHN C[C@@H](NCc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000595432704 345781622 /nfs/dbraw/zinc/78/16/22/345781622.db2.gz IBDMQYMOLVLUKM-NOZJJQNGSA-N 0 3 268.288 2.391 10 5 CEBEHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000090539441 180000475 /nfs/dbraw/zinc/00/04/75/180000475.db2.gz SOLIJZBGOSMYBA-SECBINFHSA-N 0 3 266.326 2.204 10 5 CEBEHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCCCN1C ZINC000091557607 180190798 /nfs/dbraw/zinc/19/07/98/180190798.db2.gz BXPYWIRMEFYSKZ-NSHDSACASA-N 0 3 281.360 2.016 10 5 CEBEHN CCCc1nn(C)c(NC[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000091583650 180199621 /nfs/dbraw/zinc/19/96/21/180199621.db2.gz IGSGXCKWYLZHIW-LLVKDONJSA-N 0 3 295.387 2.035 10 5 CEBEHN Cc1cc(NC[C@@H]2CCCCN2C)ncc1[N+](=O)[O-] ZINC000092027060 180308610 /nfs/dbraw/zinc/30/86/10/180308610.db2.gz OARNFFXNDMKQHD-NSHDSACASA-N 0 3 264.329 2.194 10 5 CEBEHN Cc1cccc(COc2ccc([N+](=O)[O-])cc2CN)n1 ZINC000092427470 180383682 /nfs/dbraw/zinc/38/36/82/180383682.db2.gz DPHDQIQJKVCKLQ-UHFFFAOYSA-N 0 3 273.292 2.336 10 5 CEBEHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC000130992643 366011156 /nfs/dbraw/zinc/01/11/56/366011156.db2.gz XWYXWVJLIZOHPC-VIFPVBQESA-N 0 3 296.277 2.420 10 5 CEBEHN N[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000062838269 283618247 /nfs/dbraw/zinc/61/82/47/283618247.db2.gz JAHBYXWPHOVSPB-CYBMUJFWSA-N 0 3 285.303 2.025 10 5 CEBEHN CCN1CCCC[C@H]1CNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302080221 201336393 /nfs/dbraw/zinc/33/63/93/201336393.db2.gz ZWHFBAFCBNTQLN-ZDUSSCGKSA-N 0 3 293.367 2.373 10 5 CEBEHN C[C@@H](N[C@@H]1CCCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC000040672638 174370465 /nfs/dbraw/zinc/37/04/65/174370465.db2.gz CZRRCMZFNJRUGC-VXGBXAGGSA-N 0 3 263.341 2.340 10 5 CEBEHN Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](NC(C)C)C1=O ZINC000071034764 176024978 /nfs/dbraw/zinc/02/49/78/176024978.db2.gz RIEMIUWECKUVQI-LBPRGKRZSA-N 0 3 277.324 2.007 10 5 CEBEHN CCN(CCOC)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050816670 521134057 /nfs/dbraw/zinc/13/40/57/521134057.db2.gz GNQNHEJQPFDSBP-UHFFFAOYSA-N 0 3 267.329 2.105 10 5 CEBEHN CC(C)[C@H](CN(C)C)Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050455454 519814903 /nfs/dbraw/zinc/81/49/03/519814903.db2.gz YLOBMLOMRLOTMZ-QMMMGPOBSA-N 0 3 287.751 2.036 10 5 CEBEHN CC1CCN(CCNc2ccc([N+](=O)[O-])cc2N)CC1 ZINC000052840762 521016216 /nfs/dbraw/zinc/01/62/16/521016216.db2.gz PYXFVHACWOOLJD-UHFFFAOYSA-N 0 3 278.356 2.321 10 5 CEBEHN CNC(C)(C)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000061300794 521941781 /nfs/dbraw/zinc/94/17/81/521941781.db2.gz MBBFUZHGPOLNPE-UHFFFAOYSA-N 0 3 271.704 2.185 10 5 CEBEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000069133378 525097932 /nfs/dbraw/zinc/09/79/32/525097932.db2.gz IQIGFPWRXCDXOB-RKDXNWHRSA-N 0 3 297.742 2.071 10 5 CEBEHN Cc1nc2cc(N3CCN[C@H](C)C3)c([N+](=O)[O-])cc2s1 ZINC000052783442 527123750 /nfs/dbraw/zinc/12/37/50/527123750.db2.gz UEMFKJQAZWRIPO-MRVPVSSYSA-N 0 3 292.364 2.311 10 5 CEBEHN COc1ccc(CNC[C@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000112382820 344273764 /nfs/dbraw/zinc/27/37/64/344273764.db2.gz ALXGSZCOSLIYRZ-ZDUSSCGKSA-N 0 3 282.340 2.100 10 5 CEBEHN C[C@H]1c2cc([N+](=O)[O-])ccc2N(C2CCN(C)CC2)C1=O ZINC000167708036 344478847 /nfs/dbraw/zinc/47/88/47/344478847.db2.gz YNMMIJJIBKVFDI-JTQLQIEISA-N 0 3 289.335 2.139 10 5 CEBEHN CN(C)CCn1nc(C(C)(C)C)c([N+](=O)[O-])c1Cl ZINC000097100648 185530873 /nfs/dbraw/zinc/53/08/73/185530873.db2.gz XNAWRTCZLUYEFG-UHFFFAOYSA-N 0 3 274.752 2.304 10 5 CEBEHN O=[N+]([O-])c1ccc(F)cc1CNC[C@H]1CCCC[C@H]1O ZINC000085985344 179211478 /nfs/dbraw/zinc/21/14/78/179211478.db2.gz WUNAPGCZKBOUKH-QMTHXVAHSA-N 0 3 282.315 2.375 10 5 CEBEHN CCCc1nn(C)c(N[C@H](C)CN2CCCC2)c1[N+](=O)[O-] ZINC000091583079 180199004 /nfs/dbraw/zinc/19/90/04/180199004.db2.gz JNCZJHBNGBCVNF-LLVKDONJSA-N 0 3 295.387 2.177 10 5 CEBEHN CC(C)c1nn(C)c(N[C@@H](C)CN2CCCC2)c1[N+](=O)[O-] ZINC000091581851 180199132 /nfs/dbraw/zinc/19/91/32/180199132.db2.gz DGKOXVWXRWKAFQ-NSHDSACASA-N 0 3 295.387 2.348 10 5 CEBEHN O=[N+]([O-])c1cnc(NC[C@H]2NCCc3ccccc32)s1 ZINC000261741023 371715773 /nfs/dbraw/zinc/71/57/73/371715773.db2.gz MBCRFVHAPBSOJK-LLVKDONJSA-N 0 3 290.348 2.350 10 5 CEBEHN Cc1ccc(CN2CC[C@@H](CCO)C2)cc1[N+](=O)[O-] ZINC000353674649 220247941 /nfs/dbraw/zinc/24/79/41/220247941.db2.gz SMBOVKBWWZLUPE-LBPRGKRZSA-N 0 3 264.325 2.108 10 5 CEBEHN CCN1CC[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000389350967 375303599 /nfs/dbraw/zinc/30/35/99/375303599.db2.gz LDEUXHZUWVNLGU-MRVPVSSYSA-N 0 3 293.352 2.106 10 5 CEBEHN CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000328169654 376845870 /nfs/dbraw/zinc/84/58/70/376845870.db2.gz JSWNFUXZOXOPOT-SECBINFHSA-N 0 3 253.277 2.240 10 5 CEBEHN Cc1c(CN2CCC[C@@H](O)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000296444416 378534678 /nfs/dbraw/zinc/53/46/78/378534678.db2.gz WRGDQISWEOTJTF-SMDDNHRTSA-N 0 3 264.325 2.248 10 5 CEBEHN CCN(C)[C@@H]1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000302792365 379453300 /nfs/dbraw/zinc/45/33/00/379453300.db2.gz ZCJJPLQTPIDXFN-CYBMUJFWSA-N 0 3 291.351 2.328 10 5 CEBEHN CCN(CCC(=O)OC)CCc1ccccc1[N+](=O)[O-] ZINC000062727257 520990292 /nfs/dbraw/zinc/99/02/92/520990292.db2.gz HOHNGCLWFKXNMA-UHFFFAOYSA-N 0 3 280.324 2.022 10 5 CEBEHN CC(=O)c1cc([N+](=O)[O-])ccc1OCCCN(C)C ZINC000061570322 518293037 /nfs/dbraw/zinc/29/30/37/518293037.db2.gz KALYSPDSEGAQAQ-UHFFFAOYSA-N 0 3 266.297 2.128 10 5 CEBEHN CCCCOCCOc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516123 520792701 /nfs/dbraw/zinc/79/27/01/520792701.db2.gz OILAXOCTVAFUDA-UHFFFAOYSA-N 0 3 268.313 2.249 10 5 CEBEHN CNC(C)(C)C(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000061319182 521938238 /nfs/dbraw/zinc/93/82/38/521938238.db2.gz QRUNMYAFLXBLRI-UHFFFAOYSA-N 0 3 265.313 2.148 10 5 CEBEHN CN(Cc1ccc(N)c([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000050815040 523262343 /nfs/dbraw/zinc/26/23/43/523262343.db2.gz LCDQFEAFWJMCJJ-GFCCVEGCSA-N 0 3 279.340 2.178 10 5 CEBEHN COCCNCc1ccc([N+](=O)[O-])c(OCC(C)C)c1 ZINC000062733363 523952763 /nfs/dbraw/zinc/95/27/63/523952763.db2.gz FDUFTBWDPJQEPX-UHFFFAOYSA-N 0 3 282.340 2.366 10 5 CEBEHN CCc1nn(C)c(NC[C@H](C)N2CCCCC2)c1[N+](=O)[O-] ZINC000091559851 180191174 /nfs/dbraw/zinc/19/11/74/180191174.db2.gz HYQMZJAMUIEGCH-NSHDSACASA-N 0 3 295.387 2.177 10 5 CEBEHN Cc1cc(NC[C@H]2CCCCN2C)ncc1[N+](=O)[O-] ZINC000092027061 180308780 /nfs/dbraw/zinc/30/87/80/180308780.db2.gz OARNFFXNDMKQHD-LLVKDONJSA-N 0 3 264.329 2.194 10 5 CEBEHN CN1CCC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000108643720 186224877 /nfs/dbraw/zinc/22/48/77/186224877.db2.gz VGDDGGKDJULVIQ-JTQLQIEISA-N 0 3 253.277 2.240 10 5 CEBEHN CC(=O)c1cc([N+](=O)[O-])ccc1N(C)CCCN(C)C ZINC000111138322 186357938 /nfs/dbraw/zinc/35/79/38/186357938.db2.gz LYBVTXRLTLXPJU-UHFFFAOYSA-N 0 3 279.340 2.185 10 5 CEBEHN O=[N+]([O-])c1cc(CN[C@@H]2CCCCC[C@H]2O)cs1 ZINC000135661975 366464966 /nfs/dbraw/zinc/46/49/66/366464966.db2.gz DHWMEXGRALPPQQ-GHMZBOCLSA-N 0 3 270.354 2.440 10 5 CEBEHN C[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCCO1 ZINC000094773246 364294619 /nfs/dbraw/zinc/29/46/19/364294619.db2.gz IUSNHIKGRWRERN-NOZJJQNGSA-N 0 3 268.288 2.391 10 5 CEBEHN C[C@@H](N[C@@H](C)CCCO)c1ccccc1[N+](=O)[O-] ZINC000094942352 184898182 /nfs/dbraw/zinc/89/81/82/184898182.db2.gz FLDAZEPZKQYGET-WDEREUQCSA-N 0 3 252.314 2.406 10 5 CEBEHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccs1 ZINC000182562000 395244949 /nfs/dbraw/zinc/24/49/49/395244949.db2.gz HSDPUDVVOMVFMJ-JTQLQIEISA-N 0 3 293.348 2.169 10 5 CEBEHN Cc1ccc(N2CCN3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000175105163 400287316 /nfs/dbraw/zinc/28/73/16/400287316.db2.gz GLRFZESILSUYLI-GFCCVEGCSA-N 0 3 261.325 2.188 10 5 CEBEHN CC[C@@H](C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000037386485 173170131 /nfs/dbraw/zinc/17/01/31/173170131.db2.gz OMXXWKGWSYQSKK-SNVBAGLBSA-N 0 3 265.313 2.230 10 5 CEBEHN O=[N+]([O-])c1cc(CNC[C@H]2CCCOC2)c(F)cc1F ZINC000038045155 174053228 /nfs/dbraw/zinc/05/32/28/174053228.db2.gz MDDQUKZKSQEJBX-SECBINFHSA-N 0 3 286.278 2.389 10 5 CEBEHN CO[C@@H]1CN[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)c[nH]2)C1 ZINC000040637826 174361861 /nfs/dbraw/zinc/36/18/61/174361861.db2.gz WZAJGGQWBPJRMT-RYUDHWBXSA-N 0 3 288.307 2.034 10 5 CEBEHN Cn1ccnc1CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000040639041 174362744 /nfs/dbraw/zinc/36/27/44/174362744.db2.gz UTQVROYVSASLOM-UHFFFAOYSA-N 0 3 294.742 2.314 10 5 CEBEHN CCNC(C)(C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000061291973 519906887 /nfs/dbraw/zinc/90/68/87/519906887.db2.gz RYINEUAIJYBYDZ-UHFFFAOYSA-N 0 3 269.276 2.061 10 5 CEBEHN CC(C)[C@@H](CN(C)C)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000049204899 519793721 /nfs/dbraw/zinc/79/37/21/519793721.db2.gz ABBGZZBFVNJTHE-CYBMUJFWSA-N 0 3 283.347 2.410 10 5 CEBEHN CNC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000061300792 521942740 /nfs/dbraw/zinc/94/27/40/521942740.db2.gz TVAIPBDNSJCOPR-UHFFFAOYSA-N 0 3 271.704 2.185 10 5 CEBEHN CN[C@@H](C)c1cnn(Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000054720839 522340877 /nfs/dbraw/zinc/34/08/77/522340877.db2.gz RUMDSBYOGSSUMC-JTQLQIEISA-N 0 3 290.323 2.129 10 5 CEBEHN COc1cc(CNCCc2ccccc2[N+](=O)[O-])ccn1 ZINC000062726619 522455002 /nfs/dbraw/zinc/45/50/02/522455002.db2.gz WHXDDQUKTKISAD-UHFFFAOYSA-N 0 3 287.319 2.331 10 5 CEBEHN COCCN(C)CCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000061379446 523612866 /nfs/dbraw/zinc/61/28/66/523612866.db2.gz CQPUOUSOAZPDOG-UHFFFAOYSA-N 0 3 287.747 2.238 10 5 CEBEHN C[C@H]1CN(c2ccc3scnc3c2[N+](=O)[O-])CCN1 ZINC000052783441 524671734 /nfs/dbraw/zinc/67/17/34/524671734.db2.gz SUISKGZLGOPTKV-QMMMGPOBSA-N 0 3 278.337 2.003 10 5 CEBEHN COc1ccc([N+](=O)[O-])cc1CN[C@H](CN(C)C)C(C)C ZINC000049205588 525464342 /nfs/dbraw/zinc/46/43/42/525464342.db2.gz IXLBCTPAVZZBRU-CQSZACIVSA-N 0 3 295.383 2.279 10 5 CEBEHN O=[N+]([O-])c1ccc(CN2CCC[C@@H]2CCCO)cc1 ZINC000052761955 527349579 /nfs/dbraw/zinc/34/95/79/527349579.db2.gz DEHIYFXHKDIYOV-CYBMUJFWSA-N 0 3 264.325 2.332 10 5 CEBEHN CC[C@@](C)(O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000087011412 179379186 /nfs/dbraw/zinc/37/91/86/179379186.db2.gz IIBGEIWZSDQVBH-ZWNOBZJWSA-N 0 3 252.314 2.406 10 5 CEBEHN O=[N+]([O-])c1ccc(CNC2CCC2)c([N+](=O)[O-])c1 ZINC000090359789 179977414 /nfs/dbraw/zinc/97/74/14/179977414.db2.gz UZPYTCHDGSYTNT-UHFFFAOYSA-N 0 3 251.242 2.145 10 5 CEBEHN CCCNc1ccc(CN(C)CCN(C)C)cc1[N+](=O)[O-] ZINC000111146172 186358986 /nfs/dbraw/zinc/35/89/86/186358986.db2.gz WBKRWFJIFMNLNF-UHFFFAOYSA-N 0 3 294.399 2.410 10 5 CEBEHN C[C@@H](NC[C@H](O)COC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180451970 189256037 /nfs/dbraw/zinc/25/60/37/189256037.db2.gz GOYYIHALMVFFPR-RISCZKNCSA-N 0 3 296.367 2.421 10 5 CEBEHN Cc1ccc(NC(=O)CNC2CCCC2)cc1[N+](=O)[O-] ZINC000037386874 173169747 /nfs/dbraw/zinc/16/97/47/173169747.db2.gz KLQYZSVXOJRSGD-UHFFFAOYSA-N 0 3 277.324 2.374 10 5 CEBEHN CC[C@H](C)NCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000037386526 173170401 /nfs/dbraw/zinc/17/04/01/173170401.db2.gz JYSZWYWMMOFHIV-VIFPVBQESA-N 0 3 265.313 2.230 10 5 CEBEHN CN1CCC[C@@H](NCc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC000040673166 174370994 /nfs/dbraw/zinc/37/09/94/174370994.db2.gz DLQKURXJVFHFSZ-SNVBAGLBSA-N 0 3 285.294 2.057 10 5 CEBEHN CN(C)CCSCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000072261462 176351573 /nfs/dbraw/zinc/35/15/73/176351573.db2.gz FPXAPKOWXGJBJB-UHFFFAOYSA-N 0 3 268.338 2.072 10 5 CEBEHN CCCNCc1cc([N+](=O)[O-])ccc1OCCC(=O)OC ZINC000069317190 519947581 /nfs/dbraw/zinc/94/75/81/519947581.db2.gz VWINZJDWFDZIJO-UHFFFAOYSA-N 0 3 296.323 2.036 10 5 CEBEHN COCC[C@H](N)c1nc(-c2ccc(C)c([N+](=O)[O-])c2)c[nH]1 ZINC000052811262 521951255 /nfs/dbraw/zinc/95/12/55/521951255.db2.gz YZYHSPSVJZVQEV-NSHDSACASA-N 0 3 290.323 2.330 10 5 CEBEHN CN[C@H](C)c1cnn(Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000054720841 522453580 /nfs/dbraw/zinc/45/35/80/522453580.db2.gz RUMDSBYOGSSUMC-SNVBAGLBSA-N 0 3 290.323 2.129 10 5 CEBEHN CN(Cc1cc([N+](=O)[O-])ccc1N)[C@@H]1CCSC1 ZINC000050813274 523183674 /nfs/dbraw/zinc/18/36/74/523183674.db2.gz DKBDGYCQHDBYLS-LLVKDONJSA-N 0 3 267.354 2.114 10 5 CEBEHN COCCN(Cc1cc([N+](=O)[O-])ccc1N)CC(C)C ZINC000050815098 523740003 /nfs/dbraw/zinc/74/00/03/523740003.db2.gz MIUJVTFCWKAUEZ-UHFFFAOYSA-N 0 3 281.356 2.281 10 5 CEBEHN CC[C@H](C)N1CCN(Cc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000055071126 523957341 /nfs/dbraw/zinc/95/73/41/523957341.db2.gz YLQNBVFHVUOVOM-LBPRGKRZSA-N 0 3 292.383 2.093 10 5 CEBEHN C[C@@H](CN1CCCC1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000048554004 524595405 /nfs/dbraw/zinc/59/54/05/524595405.db2.gz DWYMACYHFWPSQD-JTQLQIEISA-N 0 3 294.311 2.399 10 5 CEBEHN Cc1nc(-c2ccc([N+](=O)[O-])cc2)ncc1[C@@H](C)N ZINC000054962586 526578854 /nfs/dbraw/zinc/57/88/54/526578854.db2.gz HXXNHBRAIJBGPJ-MRVPVSSYSA-N 0 3 258.281 2.380 10 5 CEBEHN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CN(C(C)C)C[C@@H]2C)n1 ZINC000129611473 365877756 /nfs/dbraw/zinc/87/77/56/365877756.db2.gz NILAAJKOXLDAIE-CMPLNLGQSA-N 0 3 278.356 2.439 10 5 CEBEHN COc1ccc([N+](=O)[O-])cc1CNCC1CCOCC1 ZINC000111161520 186363832 /nfs/dbraw/zinc/36/38/32/186363832.db2.gz YOQOHJRLMJKLEM-UHFFFAOYSA-N 0 3 280.324 2.120 10 5 CEBEHN Cn1cc([C@@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000116315360 365048849 /nfs/dbraw/zinc/04/88/49/365048849.db2.gz NSPFVDKFPXFEPD-CYBMUJFWSA-N 0 3 286.335 2.318 10 5 CEBEHN CN(C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000168631119 367356689 /nfs/dbraw/zinc/35/66/89/367356689.db2.gz QKXXOJZVLDMPML-SNVBAGLBSA-N 0 3 297.742 2.024 10 5 CEBEHN CN(C)[C@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000269663153 372525222 /nfs/dbraw/zinc/52/52/22/372525222.db2.gz UQCPGZMYZIPYMJ-QMMMGPOBSA-N 0 3 271.267 2.013 10 5 CEBEHN CC(C)NCc1nccn1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094775348 184860314 /nfs/dbraw/zinc/86/03/14/184860314.db2.gz IOJYHUNAOLLVAD-UHFFFAOYSA-N 0 3 292.314 2.477 10 5 CEBEHN COc1cc(CN)c([N+](=O)[O-])cc1OCc1nccs1 ZINC000094964643 184906783 /nfs/dbraw/zinc/90/67/83/184906783.db2.gz RDTSVNVNVWTBAR-UHFFFAOYSA-N 0 3 295.320 2.098 10 5 CEBEHN CN(C)CCNC(=O)c1cccc2cc3ncccc3nc21 ZINC000005957867 170162592 /nfs/dbraw/zinc/16/25/92/170162592.db2.gz ZKPQFYCRZZXHFJ-UHFFFAOYSA-N 0 3 294.358 2.074 10 5 CEBEHN Cc1c(CN2C[C@@H](O)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000399253698 270368632 /nfs/dbraw/zinc/36/86/32/270368632.db2.gz NRCBFWIMNBPAST-GWCFXTLKSA-N 0 3 264.325 2.248 10 5 CEBEHN O=[N+]([O-])c1ccc(N2CCN3CCC[C@@H]3C2)c(F)c1 ZINC000042098715 275036613 /nfs/dbraw/zinc/03/66/13/275036613.db2.gz BSMJJYKJFZGDOH-LLVKDONJSA-N 0 3 265.288 2.018 10 5 CEBEHN C[C@@H]1CN[C@@H](C)CN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000086471072 297114388 /nfs/dbraw/zinc/11/43/88/297114388.db2.gz OOPFQSDJISZHPI-DTWKUNHWSA-N 0 3 269.732 2.435 10 5 CEBEHN CNc1ccc([N+](=O)[O-])cc1CN(CCO)C1CCCC1 ZINC000050816384 522644861 /nfs/dbraw/zinc/64/48/61/522644861.db2.gz MMLDFJXEKBILCV-UHFFFAOYSA-N 0 3 293.367 2.373 10 5 CEBEHN CNc1ccc([N+](=O)[O-])cc1CN1CCN(C(C)C)CC1 ZINC000050813889 522647143 /nfs/dbraw/zinc/64/71/43/522647143.db2.gz IKKPFKMKROZSNB-UHFFFAOYSA-N 0 3 292.383 2.163 10 5 CEBEHN C[C@H]1CNC[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000069132953 524696757 /nfs/dbraw/zinc/69/67/57/524696757.db2.gz BDZLTKYGHFSEPL-IUCAKERBSA-N 0 3 297.742 2.071 10 5 CEBEHN C[C@H](O)c1ccc(N2CCC[C@@H]2CN(C)C)c([N+](=O)[O-])c1 ZINC000061645482 525856344 /nfs/dbraw/zinc/85/63/44/525856344.db2.gz NRQIBQUOXLVBKV-WCQYABFASA-N 0 3 293.367 2.179 10 5 CEBEHN C[C@@H]1Oc2c(cc(Br)cc2[N+](=O)[O-])[C@@H]1N ZINC000757175554 574511253 /nfs/dbraw/zinc/51/12/53/574511253.db2.gz ARZYCKCJQLRREG-RNHFCUEFSA-N 0 3 273.086 2.138 10 5 CEBEHN C[C@H]1Oc2c(cc(Br)cc2[N+](=O)[O-])[C@H]1N ZINC000757175558 574511267 /nfs/dbraw/zinc/51/12/67/574511267.db2.gz ARZYCKCJQLRREG-VHWMUFPASA-N 0 3 273.086 2.138 10 5 CEBEHN O=[N+]([O-])c1ccc(CNCC2CC(O)C2)c(Cl)c1 ZINC000091538699 180182883 /nfs/dbraw/zinc/18/28/83/180182883.db2.gz VKFJOUJQFXVXAS-UHFFFAOYSA-N 0 3 270.716 2.109 10 5 CEBEHN CCCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCCN1CC ZINC000091553876 180189805 /nfs/dbraw/zinc/18/98/05/180189805.db2.gz JREDHBKJVASJDN-LBPRGKRZSA-N 0 3 295.387 2.406 10 5 CEBEHN Cc1ccc([N+](=O)[O-])cc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091672581 180224598 /nfs/dbraw/zinc/22/45/98/180224598.db2.gz KFUYIMYEZSQUIN-KGLIPLIRSA-N 0 3 291.351 2.178 10 5 CEBEHN CC(C)(C)NCC(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000092460693 180389866 /nfs/dbraw/zinc/38/98/66/180389866.db2.gz JHCBMFUELCZNDU-UHFFFAOYSA-N 0 3 287.266 2.200 10 5 CEBEHN CCN1CCC[C@H]1CN(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000176975602 189017846 /nfs/dbraw/zinc/01/78/46/189017846.db2.gz SGEIVFCOTKNWSP-NSHDSACASA-N 0 3 297.380 2.213 10 5 CEBEHN CC(C)N1C[C@@H](C)[C@@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302062087 201327046 /nfs/dbraw/zinc/32/70/46/201327046.db2.gz SHYUGMAEWIZVFE-RISCZKNCSA-N 0 3 293.367 2.228 10 5 CEBEHN Cc1ccccc1[C@H](C)NCCn1ccc([N+](=O)[O-])n1 ZINC000181534356 368467429 /nfs/dbraw/zinc/46/74/29/368467429.db2.gz QIZQICVZQZRQPQ-LBPRGKRZSA-N 0 3 274.324 2.451 10 5 CEBEHN O=[N+]([O-])c1ccc(NC[C@@H]2NCCc3ccccc32)cn1 ZINC000261755461 371722142 /nfs/dbraw/zinc/72/21/42/371722142.db2.gz UIHOVMDFNQVAKT-AWEZNQCLSA-N 0 3 284.319 2.289 10 5 CEBEHN C[C@@H]1NC(=O)CC[C@H]1NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000282222342 375432491 /nfs/dbraw/zinc/43/24/91/375432491.db2.gz FATWTCSAMGMAHH-GZMMTYOYSA-N 0 3 297.742 2.005 10 5 CEBEHN CC(C)C[C@@H](CN(C)C)NCc1ccc([N+](=O)[O-])o1 ZINC000037321529 173122051 /nfs/dbraw/zinc/12/20/51/173122051.db2.gz OZARCCBXKWOEBT-NSHDSACASA-N 0 3 269.345 2.254 10 5 CEBEHN CC[C@@H](C)NCC(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000037386503 173169458 /nfs/dbraw/zinc/16/94/58/173169458.db2.gz DAMQHSMIQXRSBM-MRVPVSSYSA-N 0 3 269.276 2.061 10 5 CEBEHN O=C(CNC1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000037386871 173169752 /nfs/dbraw/zinc/16/97/52/173169752.db2.gz WDMGLUDWHMFAEL-UHFFFAOYSA-N 0 3 263.297 2.066 10 5 CEBEHN CC[C@H](C)NCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000037386450 173170350 /nfs/dbraw/zinc/17/03/50/173170350.db2.gz KGDGQHXRPNSBFX-JTQLQIEISA-N 0 3 265.313 2.230 10 5 CEBEHN O=C(CNC1CCCC1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000037386899 173170804 /nfs/dbraw/zinc/17/08/04/173170804.db2.gz VWMGSUKZQZFYEU-UHFFFAOYSA-N 0 3 281.287 2.205 10 5 CEBEHN C[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3s2)CCN1 ZINC000095069514 274598281 /nfs/dbraw/zinc/59/82/81/274598281.db2.gz QNCPZSXOBHUQJP-QMMMGPOBSA-N 0 3 278.337 2.003 10 5 CEBEHN CC(C)NCc1ccc([N+](=O)[O-])c(O[C@@H]2CCC[C@H]2O)c1 ZINC000050517162 519727236 /nfs/dbraw/zinc/72/72/36/519727236.db2.gz HLAORYRQLNRIPX-ZIAGYGMSSA-N 0 3 294.351 2.385 10 5 CEBEHN CCNC(C)(C)C(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000061291050 519906797 /nfs/dbraw/zinc/90/67/97/519906797.db2.gz GBUHDVLDOJQCJE-UHFFFAOYSA-N 0 3 269.276 2.061 10 5 CEBEHN CCN(Cc1cc([N+](=O)[O-])ccc1N)[C@H](C)COC ZINC000050814949 521291395 /nfs/dbraw/zinc/29/13/95/521291395.db2.gz KPPWESZCUSZGQH-SNVBAGLBSA-N 0 3 267.329 2.034 10 5 CEBEHN CNCc1cc(C)nc(-c2cc([N+](=O)[O-])ccc2C)n1 ZINC000054830907 522104285 /nfs/dbraw/zinc/10/42/85/522104285.db2.gz IJLBKELKJHQRAQ-UHFFFAOYSA-N 0 3 272.308 2.388 10 5 CEBEHN CNCc1ccc([N+](=O)[O-])c(OCCOC(C)C)c1 ZINC000050516643 522125612 /nfs/dbraw/zinc/12/56/12/522125612.db2.gz FZOMTYJPIGWUBM-UHFFFAOYSA-N 0 3 268.313 2.118 10 5 CEBEHN CN[C@@H](C)c1cnn(CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000054720879 522336126 /nfs/dbraw/zinc/33/61/26/522336126.db2.gz FDTCGBDPUSKZJZ-NSHDSACASA-N 0 3 274.324 2.314 10 5 CEBEHN CN[C@H](C)c1cnn(Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000054720873 522452842 /nfs/dbraw/zinc/45/28/42/522452842.db2.gz YGQGAIHCQNLEJO-LLVKDONJSA-N 0 3 274.324 2.428 10 5 CEBEHN CO[C@@H]1CCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000050370358 523632581 /nfs/dbraw/zinc/63/25/81/523632581.db2.gz JYIOGOHQQYSEBJ-QWHCGFSZSA-N 0 3 250.298 2.252 10 5 CEBEHN CC[C@H](C)N(CCOC)Cc1cc([N+](=O)[O-])ccc1N ZINC000050816986 523939280 /nfs/dbraw/zinc/93/92/80/523939280.db2.gz SNNLXOKEHSUZTK-NSHDSACASA-N 0 3 281.356 2.424 10 5 CEBEHN CC(C)(CO)NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000075436963 639573759 /nfs/dbraw/zinc/57/37/59/639573759.db2.gz GLHLUJVHLQGNFH-UHFFFAOYSA-N 0 3 258.705 2.109 10 5 CEBEHN Cc1ccc(CN[C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000051998935 362458775 /nfs/dbraw/zinc/45/87/75/362458775.db2.gz HJKGSBHOZYWTAD-GXTWGEPZSA-N 0 3 264.325 2.296 10 5 CEBEHN CN(C)[C@@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000062969297 362737381 /nfs/dbraw/zinc/73/73/81/362737381.db2.gz KWFJIFNLBUYKQL-SNVBAGLBSA-N 0 3 297.742 2.024 10 5 CEBEHN C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)CN1 ZINC000086467290 179297120 /nfs/dbraw/zinc/29/71/20/179297120.db2.gz UFTOCSWVRYIANB-RKDXNWHRSA-N 0 3 297.742 2.071 10 5 CEBEHN C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](C)CN1 ZINC000086467618 179297861 /nfs/dbraw/zinc/29/78/61/179297861.db2.gz YXMQOBZQYCCQJJ-RKDXNWHRSA-N 0 3 297.742 2.071 10 5 CEBEHN CCCNc1ccc([N+](=O)[O-])cc1CN(C)CCN(C)C ZINC000111146177 186358264 /nfs/dbraw/zinc/35/82/64/186358264.db2.gz AERFRXBKSWTEIM-UHFFFAOYSA-N 0 3 294.399 2.410 10 5 CEBEHN Cc1cccc([C@@H](C)NCCn2cc([N+](=O)[O-])cn2)c1 ZINC000130979171 366011169 /nfs/dbraw/zinc/01/11/69/366011169.db2.gz LVQSRIVEAULQCZ-GFCCVEGCSA-N 0 3 274.324 2.451 10 5 CEBEHN Cc1c(CNC(=O)[C@@]2(C)CCCCN2)cccc1[N+](=O)[O-] ZINC000231856040 370496095 /nfs/dbraw/zinc/49/60/95/370496095.db2.gz NMHRLLLUUKWCJP-OAHLLOKOSA-N 0 3 291.351 2.052 10 5 CEBEHN CC(C)C[C@H](CN(C)C)NCc1ccc([N+](=O)[O-])o1 ZINC000037321530 173121939 /nfs/dbraw/zinc/12/19/39/173121939.db2.gz OZARCCBXKWOEBT-LLVKDONJSA-N 0 3 269.345 2.254 10 5 CEBEHN CCN1CCC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000040502458 174299139 /nfs/dbraw/zinc/29/91/39/174299139.db2.gz GLHPAWNJUDOHCZ-CYBMUJFWSA-N 0 3 263.341 2.169 10 5 CEBEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000078614303 177360400 /nfs/dbraw/zinc/36/04/00/177360400.db2.gz XPYUIPCONRCHLL-SNVBAGLBSA-N 0 3 299.396 2.362 10 5 CEBEHN CCN1CCC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000194310538 270295726 /nfs/dbraw/zinc/29/57/26/270295726.db2.gz CQCNSEVWMISKHF-GFCCVEGCSA-N 0 3 292.339 2.201 10 5 CEBEHN CCNCc1cnn(Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000054719328 520017276 /nfs/dbraw/zinc/01/72/76/520017276.db2.gz PAWCKMJNJVJYIP-UHFFFAOYSA-N 0 3 274.324 2.258 10 5 CEBEHN CCN(Cc1cc([N+](=O)[O-])ccc1NN)CC1CC1 ZINC000069239769 521294624 /nfs/dbraw/zinc/29/46/24/521294624.db2.gz DPGQTQBRRNCZBC-UHFFFAOYSA-N 0 3 264.329 2.112 10 5 CEBEHN CCN(Cc1ccc(N)c([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000050815140 521323025 /nfs/dbraw/zinc/32/30/25/521323025.db2.gz MTFCDRHTVFVKOJ-GFCCVEGCSA-N 0 3 279.340 2.178 10 5 CEBEHN COCC[C@H](N)c1nc(-c2cccc([N+](=O)[O-])c2)c[nH]1 ZINC000052811125 521950632 /nfs/dbraw/zinc/95/06/32/521950632.db2.gz DZQUGTVKWGKNJR-NSHDSACASA-N 0 3 276.296 2.021 10 5 CEBEHN CNc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1CCCO ZINC000052763221 522645937 /nfs/dbraw/zinc/64/59/37/522645937.db2.gz IFXUQIMFXCSWNY-CYBMUJFWSA-N 0 3 293.367 2.373 10 5 CEBEHN C[C@@H](CN1CCCC1)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000049151546 524592086 /nfs/dbraw/zinc/59/20/86/524592086.db2.gz RWMIGSDHGOUNEH-JTQLQIEISA-N 0 3 299.321 2.447 10 5 CEBEHN O=[N+]([O-])c1cccc(-c2nccc(CNC3CC3)n2)c1 ZINC000054791930 527383451 /nfs/dbraw/zinc/38/34/51/527383451.db2.gz YDXUDUSDRHNNHT-UHFFFAOYSA-N 0 3 270.292 2.304 10 5 CEBEHN Cc1nn(C)c(N[C@H](CC(C)C)CN(C)C)c1[N+](=O)[O-] ZINC000049558184 527679757 /nfs/dbraw/zinc/67/97/57/527679757.db2.gz UPTALSJANHIJIH-LLVKDONJSA-N 0 3 283.376 2.025 10 5 CEBEHN CC[C@@H](NCC[S@@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000131413854 652424521 /nfs/dbraw/zinc/42/45/21/652424521.db2.gz XYTNPBFPVFGOEA-XIKOKIGWSA-N 0 3 270.354 2.014 10 5 CEBEHN NC1(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000306234078 344712543 /nfs/dbraw/zinc/71/25/43/344712543.db2.gz LJSKTJBXCIOAGG-UHFFFAOYSA-N 0 3 257.087 2.305 10 5 CEBEHN Cc1nn(C(C)C)c(NC2CCN(C)CC2)c1[N+](=O)[O-] ZINC000097128409 185542271 /nfs/dbraw/zinc/54/22/71/185542271.db2.gz RVCONZUHXDNLIY-UHFFFAOYSA-N 0 3 281.360 2.187 10 5 CEBEHN C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000086467291 179297382 /nfs/dbraw/zinc/29/73/82/179297382.db2.gz UFTOCSWVRYIANB-BDAKNGLRSA-N 0 3 297.742 2.071 10 5 CEBEHN CC[C@@](C)(O)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000087027891 179381644 /nfs/dbraw/zinc/38/16/44/179381644.db2.gz ZACPFPSDUOLQCG-GFCCVEGCSA-N 0 3 272.732 2.499 10 5 CEBEHN Cc1cnc(NC[C@@H]2CCCCN2C)c([N+](=O)[O-])c1 ZINC000090692236 180024754 /nfs/dbraw/zinc/02/47/54/180024754.db2.gz RYESBDLVDHQTBL-NSHDSACASA-N 0 3 264.329 2.194 10 5 CEBEHN CCCc1nn(C)c(NCCN2CCCCC2)c1[N+](=O)[O-] ZINC000091580990 180199256 /nfs/dbraw/zinc/19/92/56/180199256.db2.gz FDYMTFPYADFYAF-UHFFFAOYSA-N 0 3 295.387 2.179 10 5 CEBEHN CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)CN1CCCC1 ZINC000091550283 180189070 /nfs/dbraw/zinc/18/90/70/180189070.db2.gz VULGDCDHGBDHGL-SNVBAGLBSA-N 0 3 281.360 2.016 10 5 CEBEHN COc1ccc(CN[C@H]2CCCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000135721684 366472317 /nfs/dbraw/zinc/47/23/17/366472317.db2.gz RVHLNEXGSUFYGU-GXTWGEPZSA-N 0 3 294.351 2.387 10 5 CEBEHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(F)c(F)c1 ZINC000181621510 368475694 /nfs/dbraw/zinc/47/56/94/368475694.db2.gz XRQHEKYPKPQUMT-SECBINFHSA-N 0 3 296.277 2.420 10 5 CEBEHN O=[N+]([O-])c1ccc(CN2CCN3CCC[C@@H]3C2)c(F)c1 ZINC000267052677 190300188 /nfs/dbraw/zinc/30/01/88/190300188.db2.gz REEPUBAGZHVTJM-CYBMUJFWSA-N 0 3 279.315 2.014 10 5 CEBEHN Cc1nccc(CNCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000038037903 174038877 /nfs/dbraw/zinc/03/88/77/174038877.db2.gz ROKRRWFDVLUSAJ-UHFFFAOYSA-N 0 3 272.308 2.026 10 5 CEBEHN N=C(N)c1cccnc1Oc1cc(F)ccc1[N+](=O)[O-] ZINC000038081170 174090404 /nfs/dbraw/zinc/09/04/04/174090404.db2.gz UOGUWGARTRQMIA-UHFFFAOYSA-N 0 3 276.227 2.205 10 5 CEBEHN CCN1CCC[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000040502457 174299310 /nfs/dbraw/zinc/29/93/10/174299310.db2.gz GLHPAWNJUDOHCZ-ZDUSSCGKSA-N 0 3 263.341 2.169 10 5 CEBEHN COC[C@H](C)Oc1ccc(CNC2CC2)cc1[N+](=O)[O-] ZINC000070375286 175899659 /nfs/dbraw/zinc/89/96/59/175899659.db2.gz JONNEUNGRJHZFL-JTQLQIEISA-N 0 3 280.324 2.261 10 5 CEBEHN O=C1[C@H](NC2CC2)CCN1c1cc([N+](=O)[O-])ccc1Cl ZINC000071036917 176026059 /nfs/dbraw/zinc/02/60/59/176026059.db2.gz GRQQTUCNVNWJED-LLVKDONJSA-N 0 3 295.726 2.106 10 5 CEBEHN CCN1CCC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000194310524 270295822 /nfs/dbraw/zinc/29/58/22/270295822.db2.gz CQCNSEVWMISKHF-LBPRGKRZSA-N 0 3 292.339 2.201 10 5 CEBEHN CNc1ccc(CN(C)[C@H](C)COC)cc1[N+](=O)[O-] ZINC000050815218 522605992 /nfs/dbraw/zinc/60/59/92/522605992.db2.gz RBDKXSWYPHLBAX-SNVBAGLBSA-N 0 3 267.329 2.103 10 5 CEBEHN COC(=O)[C@@H](C)Oc1cc(CNC(C)C)ccc1[N+](=O)[O-] ZINC000050517132 523551488 /nfs/dbraw/zinc/55/14/88/523551488.db2.gz RXLKVMDQUDZPLA-SNVBAGLBSA-N 0 3 296.323 2.033 10 5 CEBEHN O=[N+]([O-])c1ccccc1-c1ncc(CNC2CC2)cn1 ZINC000054856252 527395672 /nfs/dbraw/zinc/39/56/72/527395672.db2.gz QODAQKPWANAVID-UHFFFAOYSA-N 0 3 270.292 2.304 10 5 CEBEHN CN(C)CCOc1cc(Br)ccc1[N+](=O)[O-] ZINC000095938208 185035268 /nfs/dbraw/zinc/03/52/68/185035268.db2.gz XWCSSNYVABLNLP-UHFFFAOYSA-N 0 3 289.129 2.298 10 5 CEBEHN O=[N+]([O-])c1cc(CN[C@@H]2CCC[C@H](O)C2)cs1 ZINC000037563134 361905064 /nfs/dbraw/zinc/90/50/64/361905064.db2.gz INWIJVLCYPUWFE-ZJUUUORDSA-N 0 3 256.327 2.049 10 5 CEBEHN C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000086467619 179297857 /nfs/dbraw/zinc/29/78/57/179297857.db2.gz YXMQOBZQYCCQJJ-BDAKNGLRSA-N 0 3 297.742 2.071 10 5 CEBEHN CCNc1ccc([N+](=O)[O-])cc1CN(C)CC1CC(O)C1 ZINC000091464058 180162627 /nfs/dbraw/zinc/16/26/27/180162627.db2.gz PQCOOYZKMVQSCU-UHFFFAOYSA-N 0 3 293.367 2.229 10 5 CEBEHN O=[N+]([O-])c1ccc(CN2[C@@H]3CC[C@H]2CC(O)C3)cc1 ZINC000107926073 186198129 /nfs/dbraw/zinc/19/81/29/186198129.db2.gz LMENOOFVKURKSH-PBWFPOADSA-N 0 3 262.309 2.083 10 5 CEBEHN O=[N+]([O-])c1cccc(CN2CCC[C@@H]2Cn2ccnc2)c1 ZINC000177101845 189028423 /nfs/dbraw/zinc/02/84/23/189028423.db2.gz LSZGYZZQTPRLDF-OAHLLOKOSA-N 0 3 286.335 2.456 10 5 CEBEHN Cc1cc(NCC(F)(F)CN)c2cc([N+](=O)[O-])ccc2n1 ZINC000162682182 367179870 /nfs/dbraw/zinc/17/98/70/367179870.db2.gz HTAGMXYIKCRTNZ-UHFFFAOYSA-N 0 3 296.277 2.457 10 5 CEBEHN CCN1CC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000328323949 376847710 /nfs/dbraw/zinc/84/77/10/376847710.db2.gz FNOVIQSYKDOFQT-JTQLQIEISA-N 0 3 253.277 2.240 10 5 CEBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCCCN1 ZINC000080995122 177750078 /nfs/dbraw/zinc/75/00/78/177750078.db2.gz BYAPBDKVPNIKHH-LBPRGKRZSA-N 0 3 277.324 2.374 10 5 CEBEHN CC[C@H](C)NCC(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000037386454 173170305 /nfs/dbraw/zinc/17/03/05/173170305.db2.gz KFNDSGDISHUUKI-JTQLQIEISA-N 0 3 265.313 2.230 10 5 CEBEHN C[C@@H](NC[C@@H](C)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000038087914 174100291 /nfs/dbraw/zinc/10/02/91/174100291.db2.gz SPOPPMXCGISKOP-GHMZBOCLSA-N 0 3 251.330 2.196 10 5 CEBEHN C[C@@H](N[C@H]1CCCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC000040672640 174370096 /nfs/dbraw/zinc/37/00/96/174370096.db2.gz CZRRCMZFNJRUGC-NEPJUHHUSA-N 0 3 263.341 2.340 10 5 CEBEHN CN1CCCC[C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000044561554 175205084 /nfs/dbraw/zinc/20/50/84/175205084.db2.gz OUPKPBQGFNWXQY-ZDUSSCGKSA-N 0 3 263.341 2.169 10 5 CEBEHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CC1(C)C ZINC000045134141 175312141 /nfs/dbraw/zinc/31/21/41/175312141.db2.gz UDWFCYFVVQTVRJ-LBPRGKRZSA-N 0 3 250.298 2.492 10 5 CEBEHN CN(C[C@H]1CCN(C)C1)c1nc(Cl)ccc1[N+](=O)[O-] ZINC000071192654 176074666 /nfs/dbraw/zinc/07/46/66/176074666.db2.gz ZYMIISNUKDCXAU-VIFPVBQESA-N 0 3 284.747 2.031 10 5 CEBEHN CC(C)(CO)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443403 519281016 /nfs/dbraw/zinc/28/10/16/519281016.db2.gz DMEFADGRWOWMIF-UHFFFAOYSA-N 0 3 258.705 2.109 10 5 CEBEHN CCCN(CCN(C)C)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050816483 521657899 /nfs/dbraw/zinc/65/78/99/521657899.db2.gz SXVSHRLQQHSQRV-UHFFFAOYSA-N 0 3 294.399 2.410 10 5 CEBEHN CCn1ccnc1COc1ccc([N+](=O)[O-])cc1CNC ZINC000054743539 523541512 /nfs/dbraw/zinc/54/15/12/523541512.db2.gz AMFBMTINGSUPKD-UHFFFAOYSA-N 0 3 290.323 2.110 10 5 CEBEHN CC[C@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2N)CC1 ZINC000055066666 523960853 /nfs/dbraw/zinc/96/08/53/523960853.db2.gz WYSMFBBUJCMYQM-NSHDSACASA-N 0 3 278.356 2.098 10 5 CEBEHN Cc1nc(-c2cccc([N+](=O)[O-])c2)ncc1[C@@H](C)N ZINC000054962588 526595126 /nfs/dbraw/zinc/59/51/26/526595126.db2.gz QUBVTSILXZMYMF-MRVPVSSYSA-N 0 3 258.281 2.380 10 5 CEBEHN O=[N+]([O-])c1c(F)cccc1N[C@@H]1CCN2CCC[C@H]12 ZINC000049569080 527320534 /nfs/dbraw/zinc/32/05/34/527320534.db2.gz ONJCEFNHAZJBHN-ZYHUDNBSSA-N 0 3 265.288 2.383 10 5 CEBEHN O=[N+]([O-])c1cc(CNC2CC2)ccc1OC1CCOCC1 ZINC000069288634 527329113 /nfs/dbraw/zinc/32/91/13/527329113.db2.gz VPTGFFQKDTVVMU-UHFFFAOYSA-N 0 3 292.335 2.405 10 5 CEBEHN CC1(CNCc2ccc(Cl)c([N+](=O)[O-])c2)COC1 ZINC000096514017 527981824 /nfs/dbraw/zinc/98/18/24/527981824.db2.gz LCJYBDQDZNKINM-UHFFFAOYSA-N 0 3 270.716 2.374 10 5 CEBEHN COc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCCC[C@H]1O ZINC000085986661 179211935 /nfs/dbraw/zinc/21/19/35/179211935.db2.gz XDQRQWTVGXTSEB-BXUZGUMPSA-N 0 3 294.351 2.244 10 5 CEBEHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCCN(CC)C1 ZINC000336842921 365916792 /nfs/dbraw/zinc/91/67/92/365916792.db2.gz VOAADAHNSUVCGZ-NSHDSACASA-N 0 3 281.360 2.016 10 5 CEBEHN CCCc1nn(C)c(NC[C@@H]2CCCCN2C)c1[N+](=O)[O-] ZINC000091584139 180199719 /nfs/dbraw/zinc/19/97/19/180199719.db2.gz YMKDQCCVLQKKFI-NSHDSACASA-N 0 3 295.387 2.177 10 5 CEBEHN O=[N+]([O-])c1ccc2nc(OCC[C@@H]3CCC[NH2+]C3)[n-]c2c1 ZINC000094772364 364293898 /nfs/dbraw/zinc/29/38/98/364293898.db2.gz RVSANJLDVGDUCS-JTQLQIEISA-N 0 3 290.323 2.240 10 5 CEBEHN O=[N+]([O-])c1ccc2[n-]c(OCC[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000094772364 364293903 /nfs/dbraw/zinc/29/39/03/364293903.db2.gz RVSANJLDVGDUCS-JTQLQIEISA-N 0 3 290.323 2.240 10 5 CEBEHN CN1CCC[C@H](NCc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC000040673165 174371382 /nfs/dbraw/zinc/37/13/82/174371382.db2.gz DLQKURXJVFHFSZ-JTQLQIEISA-N 0 3 285.294 2.057 10 5 CEBEHN O=[N+]([O-])c1cc(F)ccc1N1CCN2CCC[C@@H]2C1 ZINC000042098718 280360288 /nfs/dbraw/zinc/36/02/88/280360288.db2.gz ZNXZGAVDPLHNDW-LLVKDONJSA-N 0 3 265.288 2.018 10 5 CEBEHN CC(C)[C@H](CN(C)C)NCc1ccccc1[N+](=O)[O-] ZINC000049196987 519814574 /nfs/dbraw/zinc/81/45/74/519814574.db2.gz FKIRTZZHBRCIBF-ZDUSSCGKSA-N 0 3 265.357 2.271 10 5 CEBEHN CNCc1ccc([N+](=O)[O-])c(OC/C=C/Cl)c1 ZINC000050516763 522125363 /nfs/dbraw/zinc/12/53/63/522125363.db2.gz GBGOSOUWVRDCMO-GORDUTHDSA-N 0 3 256.689 2.446 10 5 CEBEHN CCNCc1ccc([N+](=O)[O-])c(OC2CCOCC2)c1 ZINC000069289272 520002065 /nfs/dbraw/zinc/00/20/65/520002065.db2.gz WWLIQTSPVHIOEW-UHFFFAOYSA-N 0 3 280.324 2.262 10 5 CEBEHN CCNCc1cnc(-c2cccc([N+](=O)[O-])c2)nc1 ZINC000054855701 520015373 /nfs/dbraw/zinc/01/53/73/520015373.db2.gz GLEIOHXRKPCWGU-UHFFFAOYSA-N 0 3 258.281 2.161 10 5 CEBEHN CNCc1ccc(OCC2CCOCC2)c([N+](=O)[O-])c1 ZINC000052171179 522122209 /nfs/dbraw/zinc/12/22/09/522122209.db2.gz YZRCKGDAYGWWNY-UHFFFAOYSA-N 0 3 280.324 2.120 10 5 CEBEHN C[C@@H](CNc1ncnc(Cl)c1[N+](=O)[O-])N1CCCCC1 ZINC000050455847 524761976 /nfs/dbraw/zinc/76/19/76/524761976.db2.gz UXFIISUPRYOWJE-VIFPVBQESA-N 0 3 299.762 2.325 10 5 CEBEHN Cc1c(OCc2ccnc(C(=N)N)c2)cccc1[N+](=O)[O-] ZINC000068762627 525880980 /nfs/dbraw/zinc/88/09/80/525880980.db2.gz ZGJBPIFGPMUDLO-UHFFFAOYSA-N 0 3 286.291 2.161 10 5 CEBEHN NCc1ccc([N+](=O)[O-])c(OC[C@H]2CCCCO2)c1 ZINC000050516158 527257099 /nfs/dbraw/zinc/25/70/99/527257099.db2.gz OHHORBXZIWTVRM-LLVKDONJSA-N 0 3 266.297 2.001 10 5 CEBEHN NCc1ccc([N+](=O)[O-])c(OC[C@@H]2CCCCO2)c1 ZINC000050516156 527257955 /nfs/dbraw/zinc/25/79/55/527257955.db2.gz OHHORBXZIWTVRM-NSHDSACASA-N 0 3 266.297 2.001 10 5 CEBEHN NCc1ccc([N+](=O)[O-])c(OCc2cccnc2)c1 ZINC000050516541 527258602 /nfs/dbraw/zinc/25/86/02/527258602.db2.gz YYHCUWFZPARKSM-UHFFFAOYSA-N 0 3 259.265 2.028 10 5 CEBEHN O=[N+]([O-])c1ccc(F)cc1CNCCN1CCCCC1 ZINC000049575134 527357287 /nfs/dbraw/zinc/35/72/87/527357287.db2.gz JZVRBTBREPIYBR-UHFFFAOYSA-N 0 3 281.331 2.309 10 5 CEBEHN Nc1cc([N+](=O)[O-])ccc1N1CCN(C2CCCC2)CC1 ZINC000052841540 527460063 /nfs/dbraw/zinc/46/00/63/527460063.db2.gz GDWHPJXEUYBBIH-UHFFFAOYSA-N 0 3 290.367 2.242 10 5 CEBEHN Cc1nn(C)c(N[C@@H](CC(C)C)CN(C)C)c1[N+](=O)[O-] ZINC000049558183 527678636 /nfs/dbraw/zinc/67/86/36/527678636.db2.gz UPTALSJANHIJIH-NSHDSACASA-N 0 3 283.376 2.025 10 5 CEBEHN O=[N+]([O-])c1cccc(CNCC[C@@H]2CCCO2)c1 ZINC000037988774 343432529 /nfs/dbraw/zinc/43/25/29/343432529.db2.gz BECKQJYUSGYWAD-ZDUSSCGKSA-N 0 3 250.298 2.254 10 5 CEBEHN CN1CCC[C@H](CNc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000052120616 362466610 /nfs/dbraw/zinc/46/66/10/362466610.db2.gz KPSUONFVLVKCAB-SNVBAGLBSA-N 0 3 267.304 2.488 10 5 CEBEHN C[C@@H](NCc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000595432706 345781283 /nfs/dbraw/zinc/78/12/83/345781283.db2.gz IBDMQYMOLVLUKM-RNCFNFMXSA-N 0 3 268.288 2.391 10 5 CEBEHN NCc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000085810108 179177923 /nfs/dbraw/zinc/17/79/23/179177923.db2.gz YFSXHQXRBUJOFK-UHFFFAOYSA-N 0 3 289.266 2.445 10 5 CEBEHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000085962964 179204602 /nfs/dbraw/zinc/20/46/02/179204602.db2.gz JVBPZMGZAFNQCP-JSGCOSHPSA-N 0 3 264.325 2.236 10 5 CEBEHN CC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](CC)CN1 ZINC000086446066 179294478 /nfs/dbraw/zinc/29/44/78/179294478.db2.gz CDLKWLKAEFDGND-CHWSQXEVSA-N 0 3 291.351 2.197 10 5 CEBEHN O=[N+]([O-])c1ccc(Cl)c(CNCC2CC(O)C2)c1 ZINC000091538546 180182823 /nfs/dbraw/zinc/18/28/23/180182823.db2.gz ZZILXOABUBGAGM-UHFFFAOYSA-N 0 3 270.716 2.109 10 5 CEBEHN CC(C)[C@H](CO)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000092393561 180375895 /nfs/dbraw/zinc/37/58/95/180375895.db2.gz RYPVLFYVTPXCCO-JQWIXIFHSA-N 0 3 252.314 2.262 10 5 CEBEHN O=[N+]([O-])c1ccccc1CN1[C@@H]2CC[C@H]1CC(O)C2 ZINC000107926240 186198255 /nfs/dbraw/zinc/19/82/55/186198255.db2.gz VWOWMIKBACAAMO-FUNVUKJBSA-N 0 3 262.309 2.083 10 5 CEBEHN O=C(Nc1ccc2c(c1)CNCC2)c1ccc([N+](=O)[O-])o1 ZINC000069052740 284327681 /nfs/dbraw/zinc/32/76/81/284327681.db2.gz AOXLORNAAATPJA-UHFFFAOYSA-N 0 3 287.275 2.086 10 5 CEBEHN CC(=O)c1cc(N2C[C@H](C)[C@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000252803199 131138912 /nfs/dbraw/zinc/13/89/12/131138912.db2.gz AUHYGCHGFHUSPK-ZUZCIYMTSA-N 0 3 291.351 2.184 10 5 CEBEHN CO[C@@H]1CN[C@@H](c2nc(-c3cccc([N+](=O)[O-])c3)c[nH]2)C1 ZINC000040637700 174362029 /nfs/dbraw/zinc/36/20/29/174362029.db2.gz ZPDJWKWMCQMAHV-NWDGAFQWSA-N 0 3 288.307 2.034 10 5 CEBEHN CN(C)C[C@H]1CCCN1c1cccc(F)c1[N+](=O)[O-] ZINC000061654783 521876177 /nfs/dbraw/zinc/87/61/77/521876177.db2.gz AAWBGDWLHOEKRU-SNVBAGLBSA-N 0 3 267.304 2.264 10 5 CEBEHN CCNC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000061291987 519907421 /nfs/dbraw/zinc/90/74/21/519907421.db2.gz JUGDHJNQTBOAGT-UHFFFAOYSA-N 0 3 265.313 2.230 10 5 CEBEHN CCNCc1ccc([N+](=O)[O-])c(OCCCOC)c1 ZINC000050517029 520002275 /nfs/dbraw/zinc/00/22/75/520002275.db2.gz LPTKSLPPBYBPMS-UHFFFAOYSA-N 0 3 268.313 2.120 10 5 CEBEHN CCNCc1ccnc(-c2cc([N+](=O)[O-])ccc2C)n1 ZINC000054791401 520011090 /nfs/dbraw/zinc/01/10/90/520011090.db2.gz SWGMBJPMSXJJFF-UHFFFAOYSA-N 0 3 272.308 2.470 10 5 CEBEHN CCN(Cc1ccc(N)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000050815139 521322660 /nfs/dbraw/zinc/32/26/60/521322660.db2.gz MTFCDRHTVFVKOJ-LBPRGKRZSA-N 0 3 279.340 2.178 10 5 CEBEHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)CN1CCCC1 ZINC000049165338 525459763 /nfs/dbraw/zinc/45/97/63/525459763.db2.gz LWJMOARZRYIIGP-LBPRGKRZSA-N 0 3 293.367 2.177 10 5 CEBEHN C[C@@H]1Oc2c(c(Br)ccc2[N+](=O)[O-])[C@H]1N ZINC000757176020 574511285 /nfs/dbraw/zinc/51/12/85/574511285.db2.gz SWIUXUUBWPPDOX-NVNXEXLPSA-N 0 3 273.086 2.138 10 5 CEBEHN NCc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000085810016 179177381 /nfs/dbraw/zinc/17/73/81/179177381.db2.gz DUIYGRMDBIWXIO-UHFFFAOYSA-N 0 3 271.276 2.306 10 5 CEBEHN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](CC)CN1 ZINC000086447597 179295791 /nfs/dbraw/zinc/29/57/91/179295791.db2.gz FIPAVUYTXHEZGU-ZJUUUORDSA-N 0 3 297.380 2.259 10 5 CEBEHN O=[N+]([O-])c1cc(CN[C@@H]2CCCCC[C@@H]2O)cs1 ZINC000135661903 366464855 /nfs/dbraw/zinc/46/48/55/366464855.db2.gz DHWMEXGRALPPQQ-MNOVXSKESA-N 0 3 270.354 2.440 10 5 CEBEHN CCCCOC[C@@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000195212488 370115754 /nfs/dbraw/zinc/11/57/54/370115754.db2.gz ZGWVTAZGPOQLAF-WFASDCNBSA-N 0 3 296.367 2.423 10 5 CEBEHN CCN1CCC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000040502459 174298992 /nfs/dbraw/zinc/29/89/92/174298992.db2.gz HDQHFORTHCGYSY-ZDUSSCGKSA-N 0 3 263.341 2.169 10 5 CEBEHN CCCNC(=O)CCNCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000077590053 177282949 /nfs/dbraw/zinc/28/29/49/177282949.db2.gz AMRCERINKFOHCO-UHFFFAOYSA-N 0 3 299.758 2.254 10 5 CEBEHN CC(C)CN(CCN(C)C)c1ccc([N+](=O)[O-])cc1N ZINC000052841242 519717026 /nfs/dbraw/zinc/71/70/26/519717026.db2.gz BJJLMPFLPPPLTM-UHFFFAOYSA-N 0 3 280.372 2.201 10 5 CEBEHN COCC[C@H](N)c1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC000052811229 521950855 /nfs/dbraw/zinc/95/08/55/521950855.db2.gz NSYLDCIXWPRGJY-NSHDSACASA-N 0 3 276.296 2.021 10 5 CEBEHN Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCCCN1C ZINC000052812798 525575856 /nfs/dbraw/zinc/57/58/56/525575856.db2.gz KUCGTPSDENONSM-LLVKDONJSA-N 0 3 264.329 2.194 10 5 CEBEHN O=[N+]([O-])c1c(F)cccc1N[C@H]1CCN2CCC[C@H]12 ZINC000049569081 527321801 /nfs/dbraw/zinc/32/18/01/527321801.db2.gz ONJCEFNHAZJBHN-CMPLNLGQSA-N 0 3 265.288 2.383 10 5 CEBEHN O=[N+]([O-])c1ccccc1CCNCc1ccncc1 ZINC000062726234 527398969 /nfs/dbraw/zinc/39/89/69/527398969.db2.gz RSFUGARRJQVVGZ-UHFFFAOYSA-N 0 3 257.293 2.322 10 5 CEBEHN COC(=O)[C@H]1CN(Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000227754719 643363142 /nfs/dbraw/zinc/36/31/42/643363142.db2.gz SSSRYMBKHZZSLX-GWCFXTLKSA-N 0 3 292.335 2.144 10 5 CEBEHN CC[C@H](NCCC(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000036891649 361867557 /nfs/dbraw/zinc/86/75/57/361867557.db2.gz YKRVVZHYPHHRBZ-LBPRGKRZSA-N 0 3 266.297 2.199 10 5 CEBEHN CCOC(=O)C1Oc2ccc([N+](=O)[O-])cc2N=C1C ZINC000584626216 344968372 /nfs/dbraw/zinc/96/83/72/344968372.db2.gz FHHGBDCQQCGQDQ-LLVKDONJSA-N 0 3 264.237 2.011 10 5 CEBEHN Cc1ccc([C@@H](C)NC2CC(CO)C2)cc1[N+](=O)[O-] ZINC000595103949 345742748 /nfs/dbraw/zinc/74/27/48/345742748.db2.gz PIIULKWYNPQUSX-XSRFYTQQSA-N 0 3 264.325 2.325 10 5 CEBEHN NCc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000085810020 179177961 /nfs/dbraw/zinc/17/79/61/179177961.db2.gz QQNBOMMCVJWUNX-UHFFFAOYSA-N 0 3 271.276 2.306 10 5 CEBEHN CCC(O)(CC)CNCc1cc(F)ccc1[N+](=O)[O-] ZINC000087028335 179381799 /nfs/dbraw/zinc/38/17/99/179381799.db2.gz RGKGMGSFPBJEFI-UHFFFAOYSA-N 0 3 270.304 2.375 10 5 CEBEHN Cc1ccc([C@@H](C)NC2CC(O)C2)cc1[N+](=O)[O-] ZINC000091433340 180154384 /nfs/dbraw/zinc/15/43/84/180154384.db2.gz JIEBKJBBFXCHCU-OIKLOGQESA-N 0 3 250.298 2.077 10 5 CEBEHN COc1cc(NC[C@@H]2CCCCN2C)ccc1[N+](=O)[O-] ZINC000111048902 186348314 /nfs/dbraw/zinc/34/83/14/186348314.db2.gz MZZUBEDJPZOLES-LBPRGKRZSA-N 0 3 279.340 2.500 10 5 CEBEHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC000130992874 366010797 /nfs/dbraw/zinc/01/07/97/366010797.db2.gz XWYXWVJLIZOHPC-SECBINFHSA-N 0 3 296.277 2.420 10 5 CEBEHN COCc1cc([N+](=O)[O-])ccc1N1CCN2CCC[C@H]2C1 ZINC000245415817 370815436 /nfs/dbraw/zinc/81/54/36/370815436.db2.gz HAOQVAXIBLVEGF-AWEZNQCLSA-N 0 3 291.351 2.026 10 5 CEBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000162703536 367181559 /nfs/dbraw/zinc/18/15/59/367181559.db2.gz QAJZIPOSEWOSNI-GFCCVEGCSA-N 0 3 292.339 2.071 10 5 CEBEHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccs1 ZINC000182562011 395245195 /nfs/dbraw/zinc/24/51/95/395245195.db2.gz HSDPUDVVOMVFMJ-SNVBAGLBSA-N 0 3 293.348 2.169 10 5 CEBEHN COc1ccc(NC2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000037248253 173061312 /nfs/dbraw/zinc/06/13/12/173061312.db2.gz DBLQINHDQANHIB-UHFFFAOYSA-N 0 3 265.313 2.110 10 5 CEBEHN CC[C@@H](C)NCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000037386415 173169432 /nfs/dbraw/zinc/16/94/32/173169432.db2.gz YLJRULRZDRAQPH-MRVPVSSYSA-N 0 3 269.276 2.061 10 5 CEBEHN CCCC[C@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000037620242 173570177 /nfs/dbraw/zinc/57/01/77/173570177.db2.gz UDQQUCLLJAJPGN-NSHDSACASA-N 0 3 265.313 2.359 10 5 CEBEHN O=[N+]([O-])c1cccc(CNC[C@@H]2CCCC[C@@H]2O)c1 ZINC000077204330 177232661 /nfs/dbraw/zinc/23/26/61/177232661.db2.gz OPYZDTKBHOQJOP-JSGCOSHPSA-N 0 3 264.325 2.236 10 5 CEBEHN COC(=O)C(C)(C)[C@](C)(N)c1cc([N+](=O)[O-])ccc1F ZINC000091691532 277307929 /nfs/dbraw/zinc/30/79/29/277307929.db2.gz DOJFYVBKTOSJFY-CYBMUJFWSA-N 0 3 284.287 2.107 10 5 CEBEHN CC(C)[C@@H](CN(C)C)Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050455452 519794114 /nfs/dbraw/zinc/79/41/14/519794114.db2.gz YLOBMLOMRLOTMZ-MRVPVSSYSA-N 0 3 287.751 2.036 10 5 CEBEHN CNc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1CCO ZINC000050792894 522646116 /nfs/dbraw/zinc/64/61/16/522646116.db2.gz AOYIHBDEMIWUMP-CYBMUJFWSA-N 0 3 293.367 2.373 10 5 CEBEHN CO[C@@H]1CCC[C@H](Oc2cc(CN)ccc2[N+](=O)[O-])C1 ZINC000070324129 523648435 /nfs/dbraw/zinc/64/84/35/523648435.db2.gz TWSLBZAYAUFYFM-NEPJUHHUSA-N 0 3 280.324 2.390 10 5 CEBEHN CC[C@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2CO)CC1 ZINC000055067933 523960724 /nfs/dbraw/zinc/96/07/24/523960724.db2.gz YYYMHICSENVDRR-LBPRGKRZSA-N 0 3 293.367 2.008 10 5 CEBEHN C[C@@H]1CN(c2ccc3scnc3c2[N+](=O)[O-])CCN1 ZINC000052783440 525068508 /nfs/dbraw/zinc/06/85/08/525068508.db2.gz SUISKGZLGOPTKV-MRVPVSSYSA-N 0 3 278.337 2.003 10 5 CEBEHN Cc1ccc([N+](=O)[O-])cc1Oc1ccnc(C(=N)N)c1 ZINC000061814632 526085373 /nfs/dbraw/zinc/08/53/73/526085373.db2.gz UMSIRFIOYDVFAE-UHFFFAOYSA-N 0 3 272.264 2.375 10 5 CEBEHN NC[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000061611753 527201971 /nfs/dbraw/zinc/20/19/71/527201971.db2.gz UKXJRRCCWPNGJF-GFCCVEGCSA-N 0 3 285.303 2.276 10 5 CEBEHN O=[N+]([O-])c1ccc(N2CCN3CCCC[C@@H]3C2)cc1 ZINC000143748179 344406356 /nfs/dbraw/zinc/40/63/56/344406356.db2.gz XAECANDAYMIUHX-CQSZACIVSA-N 0 3 261.325 2.269 10 5 CEBEHN C[C@H](N[C@@H]1CCC[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC000323319599 344753733 /nfs/dbraw/zinc/75/37/33/344753733.db2.gz SZQJDEFYNWWXLR-UFGOTCBOSA-N 0 3 250.298 2.159 10 5 CEBEHN COc1cccc([C@@H]2C([N+](=O)[O-])[C@H]3CC[C@@H]2C(=O)C3)c1 ZINC000584653840 344974086 /nfs/dbraw/zinc/97/40/86/344974086.db2.gz HUJJZDKSWBQQFP-FDEJFUCISA-N 0 3 275.304 2.423 10 5 CEBEHN CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1CC(O)C1 ZINC000091463414 180162478 /nfs/dbraw/zinc/16/24/78/180162478.db2.gz CWKVXTKIDAMTBI-UHFFFAOYSA-N 0 3 284.743 2.451 10 5 CEBEHN C[C@H](NCC1CC(O)C1)c1ccccc1[N+](=O)[O-] ZINC000091423667 180151471 /nfs/dbraw/zinc/15/14/71/180151471.db2.gz UCDSQZPVKACMJU-WHXUTIOJSA-N 0 3 250.298 2.016 10 5 CEBEHN CCCc1nn(C)c(NC[C@@H]2CCCN2CC)c1[N+](=O)[O-] ZINC000091576565 180197937 /nfs/dbraw/zinc/19/79/37/180197937.db2.gz GIMJBLCQLZLTNQ-NSHDSACASA-N 0 3 295.387 2.177 10 5 CEBEHN CC[C@@](C)(O)CNCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000106448987 186117533 /nfs/dbraw/zinc/11/75/33/186117533.db2.gz USTAQYZORGVLBS-GFCCVEGCSA-N 0 3 272.732 2.499 10 5 CEBEHN CNc1ccc(CN2[C@@H]3CC[C@H]2CC(O)C3)cc1[N+](=O)[O-] ZINC000107928008 186198543 /nfs/dbraw/zinc/19/85/43/186198543.db2.gz WDJMLJFHOWGNNW-FUNVUKJBSA-N 0 3 291.351 2.124 10 5 CEBEHN CNc1ccc(CN2CCN(C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000110743194 186318704 /nfs/dbraw/zinc/31/87/04/186318704.db2.gz WFSLFJXBCOBBLH-UHFFFAOYSA-N 0 3 292.383 2.163 10 5 CEBEHN CCN1CCC[C@H](Nc2nccc(C)c2[N+](=O)[O-])C1 ZINC000070496002 363091490 /nfs/dbraw/zinc/09/14/90/363091490.db2.gz XOGZOXLPAZDNQE-NSHDSACASA-N 0 3 264.329 2.194 10 5 CEBEHN O=[N+]([O-])c1cccc(CN2CCN3CCCC[C@@H]3C2)c1 ZINC000172801548 367821390 /nfs/dbraw/zinc/82/13/90/367821390.db2.gz WUPVFYVABHJJNH-OAHLLOKOSA-N 0 3 275.352 2.265 10 5 CEBEHN C[C@H](NC[C@H](C)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000038087911 174100469 /nfs/dbraw/zinc/10/04/69/174100469.db2.gz SPOPPMXCGISKOP-QWRGUYRKSA-N 0 3 251.330 2.196 10 5 CEBEHN CCN1CCC[C@@H](NCc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC000040502978 174300116 /nfs/dbraw/zinc/30/01/16/174300116.db2.gz NQWQCVVKPXSXBS-LLVKDONJSA-N 0 3 299.321 2.447 10 5 CEBEHN O=[N+]([O-])c1ccccc1CNC[C@H]1CCCC[C@H]1O ZINC000077204996 177233201 /nfs/dbraw/zinc/23/32/01/177233201.db2.gz ZNDVQSLWEKYCDU-TZMCWYRMSA-N 0 3 264.325 2.236 10 5 CEBEHN CC(C)NCc1cnn(Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000054719672 519728497 /nfs/dbraw/zinc/72/84/97/519728497.db2.gz KJPXNDVNODTKHD-UHFFFAOYSA-N 0 3 274.324 2.338 10 5 CEBEHN CCNC(C)(C)C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000061292325 519906684 /nfs/dbraw/zinc/90/66/84/519906684.db2.gz JWKRVDLHQDGTFR-UHFFFAOYSA-N 0 3 287.266 2.200 10 5 CEBEHN CCNCc1ccnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000054791299 520010434 /nfs/dbraw/zinc/01/04/34/520010434.db2.gz KBGSFPCNFIRFJZ-UHFFFAOYSA-N 0 3 258.281 2.161 10 5 CEBEHN CN[C@@H](C)c1cnn(Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000054720876 522338696 /nfs/dbraw/zinc/33/86/96/522338696.db2.gz YGQGAIHCQNLEJO-NSHDSACASA-N 0 3 274.324 2.428 10 5 CEBEHN COCCNCc1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000062733355 523953631 /nfs/dbraw/zinc/95/36/31/523953631.db2.gz HBPDQJGRMKBNAP-UHFFFAOYSA-N 0 3 268.313 2.118 10 5 CEBEHN C[C@H]1CNC[C@H](C)N1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000069133350 524696467 /nfs/dbraw/zinc/69/64/67/524696467.db2.gz XYYLGUYPYVGJGQ-IUCAKERBSA-N 0 3 297.742 2.071 10 5 CEBEHN Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCCN1C ZINC000052812797 525576933 /nfs/dbraw/zinc/57/69/33/525576933.db2.gz KUCGTPSDENONSM-NSHDSACASA-N 0 3 264.329 2.194 10 5 CEBEHN C[C@@H](O)COc1ccc([N+](=O)[O-])cc1CNC(C)(C)C ZINC000062732010 525809575 /nfs/dbraw/zinc/80/95/75/525809575.db2.gz RAYRECYWALTOQP-SNVBAGLBSA-N 0 3 282.340 2.243 10 5 CEBEHN Cn1ccnc1CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444025 527430245 /nfs/dbraw/zinc/43/02/45/527430245.db2.gz MRNQLIWGRRVOJH-UHFFFAOYSA-N 0 3 294.742 2.314 10 5 CEBEHN Nc1ccc([N+](=O)[O-])cc1CN(CCO)C1CCCCC1 ZINC000050816356 527503868 /nfs/dbraw/zinc/50/38/68/527503868.db2.gz HMOLBZZVIVNLPJ-UHFFFAOYSA-N 0 3 293.367 2.304 10 5 CEBEHN NCc1ccccc1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000085810112 179177818 /nfs/dbraw/zinc/17/78/18/179177818.db2.gz PMTDTENOSWLXEA-UHFFFAOYSA-N 0 3 289.266 2.445 10 5 CEBEHN O=[N+]([O-])c1ccc(CNC[C@H]2CCCC[C@H]2O)cc1 ZINC000085962973 179204813 /nfs/dbraw/zinc/20/48/13/179204813.db2.gz JVBPZMGZAFNQCP-TZMCWYRMSA-N 0 3 264.325 2.236 10 5 CEBEHN CC[C@H](NC1CC(O)C1)c1cccc([N+](=O)[O-])c1 ZINC000091449541 180158069 /nfs/dbraw/zinc/15/80/69/180158069.db2.gz PGOJRBYVJFWTHE-GDKBPFBDSA-N 0 3 250.298 2.159 10 5 CEBEHN CN(Cc1cc([N+](=O)[O-])ccc1N)CC1CCOCC1 ZINC000111170858 186364677 /nfs/dbraw/zinc/36/46/77/186364677.db2.gz VMYNEPMTDKUZFU-UHFFFAOYSA-N 0 3 279.340 2.035 10 5 CEBEHN CC(C)(C)NCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000094420329 364273145 /nfs/dbraw/zinc/27/31/45/364273145.db2.gz ICLXXOWMJDCLDD-UHFFFAOYSA-N 0 3 269.276 2.061 10 5 CEBEHN C[C@@H](NC[C@@H]1CCCN1C)c1ccccc1[N+](=O)[O-] ZINC000219162206 370221121 /nfs/dbraw/zinc/22/11/21/370221121.db2.gz JVGOBVQSWAKVDQ-NEPJUHHUSA-N 0 3 263.341 2.340 10 5 CEBEHN CCN1CC[C@@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000389290510 375301902 /nfs/dbraw/zinc/30/19/02/375301902.db2.gz XIVQTMMCIZTMMK-DGCLKSJQSA-N 0 3 263.341 2.340 10 5 CEBEHN Cc1ccc(NC(=O)[C@H]2CCCCCN2)c([N+](=O)[O-])c1 ZINC000080995131 177750600 /nfs/dbraw/zinc/75/06/00/177750600.db2.gz GDOUEBOJZQJEQK-GFCCVEGCSA-N 0 3 277.324 2.374 10 5 CEBEHN CC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H](C)[C@H](N(C)C)C1 ZINC000251929466 131132577 /nfs/dbraw/zinc/13/25/77/131132577.db2.gz YPZNOSVYIPWOQA-ZUZCIYMTSA-N 0 3 291.351 2.184 10 5 CEBEHN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)CN1 ZINC000033923016 134776716 /nfs/dbraw/zinc/77/67/16/134776716.db2.gz CGAHBYRUBQZLSX-IUCAKERBSA-N 0 3 269.732 2.435 10 5 CEBEHN C[C@H]1CN2CCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000301249149 394459302 /nfs/dbraw/zinc/45/93/02/394459302.db2.gz AIYGVOZUTGLETC-UWVGGRQHSA-N 0 3 296.758 2.316 10 5 CEBEHN CCCN[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C)C1=O ZINC000071034778 176024649 /nfs/dbraw/zinc/02/46/49/176024649.db2.gz QLVXTCDOPLLPQP-GFCCVEGCSA-N 0 3 277.324 2.008 10 5 CEBEHN CC1(C)CN(c2c(Cl)cccc2[N+](=O)[O-])CCN1 ZINC000232809953 273584767 /nfs/dbraw/zinc/58/47/67/273584767.db2.gz HSPHDOSCRYRXBX-UHFFFAOYSA-N 0 3 269.732 2.436 10 5 CEBEHN CC(C)NCc1nccn1Cc1cccc([N+](=O)[O-])c1 ZINC000051005646 519729245 /nfs/dbraw/zinc/72/92/45/519729245.db2.gz VAAFZMCAASASOI-UHFFFAOYSA-N 0 3 274.324 2.338 10 5 CEBEHN CCNc1ccc(CN(C)[C@H](C)COC)cc1[N+](=O)[O-] ZINC000050815220 520299392 /nfs/dbraw/zinc/29/93/92/520299392.db2.gz ALFQFQRZXNRPPQ-LLVKDONJSA-N 0 3 281.356 2.493 10 5 CEBEHN CNC(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000061316141 521941230 /nfs/dbraw/zinc/94/12/30/521941230.db2.gz BAAJMESUYDOSFD-UHFFFAOYSA-N 0 3 271.704 2.185 10 5 CEBEHN CNCc1ccc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)o1 ZINC000051041466 522115398 /nfs/dbraw/zinc/11/53/98/522115398.db2.gz PKXJIDRRIYUPQR-UHFFFAOYSA-N 0 3 277.236 2.482 10 5 CEBEHN CNc1ccc(CN2CCC[C@H]2CCCO)cc1[N+](=O)[O-] ZINC000052763220 522610674 /nfs/dbraw/zinc/61/06/74/522610674.db2.gz LFUVEUDMDCMIRK-ZDUSSCGKSA-N 0 3 293.367 2.373 10 5 CEBEHN CNc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1CCO ZINC000050792895 522645683 /nfs/dbraw/zinc/64/56/83/522645683.db2.gz AOYIHBDEMIWUMP-ZDUSSCGKSA-N 0 3 293.367 2.373 10 5 CEBEHN O=[N+]([O-])c1ccc(OC2CCOCC2)c(CNC2CC2)c1 ZINC000069288969 527370930 /nfs/dbraw/zinc/37/09/30/527370930.db2.gz UOBXJWUTSVNNTR-UHFFFAOYSA-N 0 3 292.335 2.405 10 5 CEBEHN O=[N+]([O-])c1ccccc1CCN1CCC[C@@H](CCO)C1 ZINC000062727302 527398188 /nfs/dbraw/zinc/39/81/88/527398188.db2.gz GSOPGBYGJHSXKW-ZDUSSCGKSA-N 0 3 278.352 2.232 10 5 CEBEHN CN(C)[C@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000149226336 282263717 /nfs/dbraw/zinc/26/37/17/282263717.db2.gz ULJPJODUPZPYDN-VIFPVBQESA-N 0 3 297.742 2.024 10 5 CEBEHN O=[N+]([O-])C1COc2ccc(Br)cc2C1 ZINC000145384794 344408620 /nfs/dbraw/zinc/40/86/20/344408620.db2.gz RYAGBZLBMGKEIX-MRVPVSSYSA-N 0 3 258.071 2.029 10 5 CEBEHN C[C@@H]1c2cc([N+](=O)[O-])ccc2N(C2CCN(C)CC2)C1=O ZINC000167708141 344478960 /nfs/dbraw/zinc/47/89/60/344478960.db2.gz YNMMIJJIBKVFDI-SNVBAGLBSA-N 0 3 289.335 2.139 10 5 CEBEHN C[C@@H]1CN(c2cc(F)c(Cl)cc2[N+](=O)[O-])CCN1 ZINC000097355631 136522677 /nfs/dbraw/zinc/52/26/77/136522677.db2.gz SBUPHSSWSOUETB-SSDOTTSWSA-N 0 3 273.695 2.185 10 5 CEBEHN CCCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCCN1CC ZINC000091553878 180189360 /nfs/dbraw/zinc/18/93/60/180189360.db2.gz JREDHBKJVASJDN-GFCCVEGCSA-N 0 3 295.387 2.406 10 5 CEBEHN CN1CCC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000108643725 186225040 /nfs/dbraw/zinc/22/50/40/186225040.db2.gz VGDDGGKDJULVIQ-SNVBAGLBSA-N 0 3 253.277 2.240 10 5 CEBEHN CCN1CCN(Cc2ccc(NC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000110742691 186319076 /nfs/dbraw/zinc/31/90/76/186319076.db2.gz SKFVNIXUJWAJHE-LBPRGKRZSA-N 0 3 292.383 2.163 10 5 CEBEHN CCN1CCC[C@@H](Nc2cccc(OC)c2[N+](=O)[O-])C1 ZINC000134908942 366372623 /nfs/dbraw/zinc/37/26/23/366372623.db2.gz DMXINEPAPNMNQM-LLVKDONJSA-N 0 3 279.340 2.500 10 5 CEBEHN CCN1CC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000328323950 376847293 /nfs/dbraw/zinc/84/72/93/376847293.db2.gz FNOVIQSYKDOFQT-SNVBAGLBSA-N 0 3 253.277 2.240 10 5 CEBEHN O=[N+]([O-])c1cc(F)ccc1N1CCN2CCC[C@H]2C1 ZINC000248905947 285095731 /nfs/dbraw/zinc/09/57/31/285095731.db2.gz ZNXZGAVDPLHNDW-NSHDSACASA-N 0 3 265.288 2.018 10 5 CEBEHN Cc1c(COc2ccc(CN)nc2)cccc1[N+](=O)[O-] ZINC000094208073 184763014 /nfs/dbraw/zinc/76/30/14/184763014.db2.gz OUQYQCQQWKSUGI-UHFFFAOYSA-N 0 3 273.292 2.336 10 5 CEBEHN CC(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000037386077 173168414 /nfs/dbraw/zinc/16/84/14/173168414.db2.gz MEUUSLPEJZCDGK-UHFFFAOYSA-N 0 3 271.704 2.185 10 5 CEBEHN C[C@H](CN[C@@H](C)c1ccccc1[N+](=O)[O-])N(C)C ZINC000038087912 174100709 /nfs/dbraw/zinc/10/07/09/174100709.db2.gz SPOPPMXCGISKOP-MNOVXSKESA-N 0 3 251.330 2.196 10 5 CEBEHN CCN1CCC[C@H](Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000040503223 174299820 /nfs/dbraw/zinc/29/98/20/174299820.db2.gz PAVCCUOIZMRFKZ-NSHDSACASA-N 0 3 279.340 2.500 10 5 CEBEHN COc1ccc(N[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000040673518 174371898 /nfs/dbraw/zinc/37/18/98/174371898.db2.gz ZJAVDSRHLIXCLQ-SNVBAGLBSA-N 0 3 265.313 2.110 10 5 CEBEHN Cc1c(CN2C[C@H](O)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000399253699 270368332 /nfs/dbraw/zinc/36/83/32/270368332.db2.gz NRCBFWIMNBPAST-GXFFZTMASA-N 0 3 264.325 2.248 10 5 CEBEHN CC(C)NCc1ccc([N+](=O)[O-])c(OCC(C)(C)O)c1 ZINC000050517164 519727298 /nfs/dbraw/zinc/72/72/98/519727298.db2.gz FBDMPKVVUSWNNX-UHFFFAOYSA-N 0 3 282.340 2.243 10 5 CEBEHN CC(C)CNCc1cc([N+](=O)[O-])ccc1OCC(C)(C)O ZINC000062732064 519747242 /nfs/dbraw/zinc/74/72/42/519747242.db2.gz WQBQGXUBLWGAHZ-UHFFFAOYSA-N 0 3 296.367 2.490 10 5 CEBEHN CCNCc1nccn1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000051004811 520022692 /nfs/dbraw/zinc/02/26/92/520022692.db2.gz SPWFLTHKQTVRCD-UHFFFAOYSA-N 0 3 278.287 2.088 10 5 CEBEHN CCN1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2N)C1 ZINC000052840954 521649689 /nfs/dbraw/zinc/64/96/89/521649689.db2.gz FDPGQLMUPJSESY-JTQLQIEISA-N 0 3 264.329 2.073 10 5 CEBEHN CNc1ccc([N+](=O)[O-])cc1CN(C)C1CCOCC1 ZINC000050814148 522645405 /nfs/dbraw/zinc/64/54/05/522645405.db2.gz HVDPXZIQYVWTGH-UHFFFAOYSA-N 0 3 279.340 2.247 10 5 CEBEHN CN(Cc1cc([N+](=O)[O-])ccc1N)[C@H]1CCSC1 ZINC000050813275 523184757 /nfs/dbraw/zinc/18/47/57/523184757.db2.gz DKBDGYCQHDBYLS-NSHDSACASA-N 0 3 267.354 2.114 10 5 CEBEHN C[C@@H](CN1CCCC1)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000049164319 524592419 /nfs/dbraw/zinc/59/24/19/524592419.db2.gz MGEYLZMIYIKPCF-NSHDSACASA-N 0 3 281.331 2.308 10 5 CEBEHN Cc1cccc(OCc2cccnc2C(=N)N)c1[N+](=O)[O-] ZINC000061658820 524765531 /nfs/dbraw/zinc/76/55/31/524765531.db2.gz YKIOWGROCBJLCI-UHFFFAOYSA-N 0 3 286.291 2.161 10 5 CEBEHN Cc1ccc(OCc2cccnc2C(=N)N)c([N+](=O)[O-])c1 ZINC000061658834 525444613 /nfs/dbraw/zinc/44/46/13/525444613.db2.gz KZFBVGWHHCAHJP-UHFFFAOYSA-N 0 3 286.291 2.161 10 5 CEBEHN Cc1nc(-c2ccccc2[N+](=O)[O-])ncc1[C@@H](C)N ZINC000054962576 526609655 /nfs/dbraw/zinc/60/96/55/526609655.db2.gz UEQCDEVUZLGMIX-MRVPVSSYSA-N 0 3 258.281 2.380 10 5 CEBEHN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CNC2 ZINC000156649933 527374738 /nfs/dbraw/zinc/37/47/38/527374738.db2.gz IBPNRVSKKZOHDI-UHFFFAOYSA-N 0 3 283.287 2.450 10 5 CEBEHN O=[N+]([O-])c1ccccc1-c1nccc(CNC2CC2)n1 ZINC000054791916 527395787 /nfs/dbraw/zinc/39/57/87/527395787.db2.gz QJWOTDFFXYBIAX-UHFFFAOYSA-N 0 3 270.292 2.304 10 5 CEBEHN CN(C)[C@@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000149226149 282200993 /nfs/dbraw/zinc/20/09/93/282200993.db2.gz ULJPJODUPZPYDN-SECBINFHSA-N 0 3 297.742 2.024 10 5 CEBEHN CC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](CC)CN1 ZINC000086446069 179294783 /nfs/dbraw/zinc/29/47/83/179294783.db2.gz CDLKWLKAEFDGND-OLZOCXBDSA-N 0 3 291.351 2.197 10 5 CEBEHN CCCCCC[C@H](O)C(CO[C@@H]1CCCO1)[N+](=O)[O-] ZINC000104846793 186028413 /nfs/dbraw/zinc/02/84/13/186028413.db2.gz KRAWYJATLAEFFS-FRRDWIJNSA-N 0 3 275.345 2.116 10 5 CEBEHN O=[N+]([O-])c1ccc(F)cc1OCCN1CCCC1 ZINC000105830737 186076654 /nfs/dbraw/zinc/07/66/54/186076654.db2.gz ZKJHQBZUUAOJSV-UHFFFAOYSA-N 0 3 254.261 2.209 10 5 CEBEHN CC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H](N(C)C)[C@@H](C)C1 ZINC000124301748 187131159 /nfs/dbraw/zinc/13/11/59/187131159.db2.gz YPZNOSVYIPWOQA-BONVTDFDSA-N 0 3 291.351 2.184 10 5 CEBEHN CC(C)N1C[C@H](C)[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302062088 201326446 /nfs/dbraw/zinc/32/64/46/201326446.db2.gz SHYUGMAEWIZVFE-SMDDNHRTSA-N 0 3 293.367 2.228 10 5 CEBEHN Cc1ccc(N2CCN3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000245415569 394499018 /nfs/dbraw/zinc/49/90/18/394499018.db2.gz GLRFZESILSUYLI-LBPRGKRZSA-N 0 3 261.325 2.188 10 5 CEBEHN CN1CCC(Nc2nc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000037267906 173078946 /nfs/dbraw/zinc/07/89/46/173078946.db2.gz UWLRQVZHVPGWHI-UHFFFAOYSA-N 0 3 270.720 2.149 10 5 CEBEHN CN(c1nc(Cl)ccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000037331725 173132753 /nfs/dbraw/zinc/13/27/53/173132753.db2.gz IIFAXQMGQUMGNE-UHFFFAOYSA-N 0 3 284.747 2.174 10 5 CEBEHN CO[C@@H]1CN[C@H](c2nc(-c3cccc([N+](=O)[O-])c3)c[nH]2)C1 ZINC000040637702 174361817 /nfs/dbraw/zinc/36/18/17/174361817.db2.gz ZPDJWKWMCQMAHV-RYUDHWBXSA-N 0 3 288.307 2.034 10 5 CEBEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000077730268 177296669 /nfs/dbraw/zinc/29/66/69/177296669.db2.gz HDKIZSGLXMGFNO-CYBMUJFWSA-N 0 3 293.367 2.301 10 5 CEBEHN CCCN1CCN(Cc2cc([N+](=O)[O-])ccc2NC)CC1 ZINC000050792105 519858710 /nfs/dbraw/zinc/85/87/10/519858710.db2.gz DKIYCCGSZWCYRQ-UHFFFAOYSA-N 0 3 292.383 2.164 10 5 CEBEHN CNc1ccc(CN(CCCO)C(C)C)cc1[N+](=O)[O-] ZINC000050818070 522607454 /nfs/dbraw/zinc/60/74/54/522607454.db2.gz IKLAUCFMTWAPFC-UHFFFAOYSA-N 0 3 281.356 2.229 10 5 CEBEHN CN1CC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000048738752 523988916 /nfs/dbraw/zinc/98/89/16/523988916.db2.gz BYIVRKVQSSKNPU-JTQLQIEISA-N 0 3 272.308 2.259 10 5 CEBEHN Cc1cc(NC(=O)[C@H](N)C(C)C)c([N+](=O)[O-])cc1C ZINC000050439823 525229235 /nfs/dbraw/zinc/22/92/35/525229235.db2.gz YUVJXWWYDXCSFY-GFCCVEGCSA-N 0 3 265.313 2.133 10 5 CEBEHN N=C(N)c1cc(Sc2ccccc2[N+](=O)[O-])ccn1 ZINC000061814719 526821641 /nfs/dbraw/zinc/82/16/41/526821641.db2.gz LZADMYJEAHHWRV-UHFFFAOYSA-N 0 3 274.305 2.425 10 5 CEBEHN C[C@H](NCc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000595432707 345781565 /nfs/dbraw/zinc/78/15/65/345781565.db2.gz IBDMQYMOLVLUKM-TVQRCGJNSA-N 0 3 268.288 2.391 10 5 CEBEHN CC[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H](CC)CN1 ZINC000086446083 179294534 /nfs/dbraw/zinc/29/45/34/179294534.db2.gz GNIAJCJZHUDOGK-NEPJUHHUSA-N 0 3 291.351 2.197 10 5 CEBEHN CCCc1nn(C)c(N[C@@H](C)CN2CCCC2)c1[N+](=O)[O-] ZINC000091583077 180199202 /nfs/dbraw/zinc/19/92/02/180199202.db2.gz JNCZJHBNGBCVNF-NSHDSACASA-N 0 3 295.387 2.177 10 5 CEBEHN CN(Cc1cc([N+](=O)[O-])ccc1N)C[C@H]1CCCOC1 ZINC000111170648 186365785 /nfs/dbraw/zinc/36/57/85/186365785.db2.gz FNHZZCZLHPMBHM-LLVKDONJSA-N 0 3 279.340 2.035 10 5 CEBEHN Cn1cc([C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000116315348 365048784 /nfs/dbraw/zinc/04/87/84/365048784.db2.gz KFGOISBAVYEXSO-ZDUSSCGKSA-N 0 3 286.335 2.318 10 5 CEBEHN O=[N+]([O-])c1cccc(F)c1CN1CCN2CCC[C@H]2C1 ZINC000247371079 371100495 /nfs/dbraw/zinc/10/04/95/371100495.db2.gz USUQZXGVITWAAQ-NSHDSACASA-N 0 3 279.315 2.014 10 5 CEBEHN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CN(C(C)C)C[C@H]1C ZINC000248664358 394545393 /nfs/dbraw/zinc/54/53/93/394545393.db2.gz JUYDBMAMMWWIFA-PWSUYJOCSA-N 0 3 295.387 2.260 10 5 CEBEHN CO[C@H]1CN[C@H](c2nc(-c3cccc([N+](=O)[O-])c3)c[nH]2)C1 ZINC000040637701 174361760 /nfs/dbraw/zinc/36/17/60/174361760.db2.gz ZPDJWKWMCQMAHV-NEPJUHHUSA-N 0 3 288.307 2.034 10 5 CEBEHN CO[C@@H]1CN[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3)c[nH]2)C1 ZINC000040637824 174362100 /nfs/dbraw/zinc/36/21/00/174362100.db2.gz WZAJGGQWBPJRMT-NWDGAFQWSA-N 0 3 288.307 2.034 10 5 CEBEHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1cc[nH]n1 ZINC000040676014 174373860 /nfs/dbraw/zinc/37/38/60/174373860.db2.gz LWYHUUCFIKZHKV-JTQLQIEISA-N 0 3 260.297 2.211 10 5 CEBEHN CCNc1ccc([N+](=O)[O-])cc1CN(CCO)C(C)C ZINC000050817935 520330893 /nfs/dbraw/zinc/33/08/93/520330893.db2.gz WHFMRTYJSKRXIE-UHFFFAOYSA-N 0 3 281.356 2.229 10 5 CEBEHN CCN(CC)CCOc1cc(C=O)ccc1[N+](=O)[O-] ZINC000050517606 520696076 /nfs/dbraw/zinc/69/60/76/520696076.db2.gz ABPZBSWVMSWVLY-UHFFFAOYSA-N 0 3 266.297 2.128 10 5 CEBEHN CN(C)C[C@H]1CCCN1c1nc(Cl)ccc1[N+](=O)[O-] ZINC000061654765 521876250 /nfs/dbraw/zinc/87/62/50/521876250.db2.gz FSXSFEMANUAQET-SECBINFHSA-N 0 3 284.747 2.174 10 5 CEBEHN CNC(C)(C)C(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000061300791 521940195 /nfs/dbraw/zinc/94/01/95/521940195.db2.gz RBPUVONWPRIZBE-UHFFFAOYSA-N 0 3 271.704 2.185 10 5 CEBEHN CNc1ccc(CN2CCCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000050792892 522608768 /nfs/dbraw/zinc/60/87/68/522608768.db2.gz XQTYSINXXUZUPQ-CYBMUJFWSA-N 0 3 293.367 2.373 10 5 CEBEHN CNc1ccc(CN2CCCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000050792893 522609603 /nfs/dbraw/zinc/60/96/03/522609603.db2.gz XQTYSINXXUZUPQ-ZDUSSCGKSA-N 0 3 293.367 2.373 10 5 CEBEHN N=C(N)c1cc(Oc2ccccc2[N+](=O)[O-])ccn1 ZINC000061814623 526822101 /nfs/dbraw/zinc/82/21/01/526822101.db2.gz KEDNJVKYZZEBOQ-UHFFFAOYSA-N 0 3 258.237 2.066 10 5 CEBEHN Cc1ncsc1CCOc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516248 527492489 /nfs/dbraw/zinc/49/24/89/527492489.db2.gz ZWFPWCZXKJBOMN-UHFFFAOYSA-N 0 3 293.348 2.440 10 5 CEBEHN C[C@H](CCO)NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000096811483 185115271 /nfs/dbraw/zinc/11/52/71/185115271.db2.gz NTHQSYPESOJOPH-MRVPVSSYSA-N 0 3 258.705 2.109 10 5 CEBEHN Cc1c(CNC[C@@H](O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000311723363 344735750 /nfs/dbraw/zinc/73/57/50/344735750.db2.gz MQIKJHPMUDORPY-CYBMUJFWSA-N 0 3 266.341 2.400 10 5 CEBEHN N=C(NO)C1(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000584881766 344996437 /nfs/dbraw/zinc/99/64/37/344996437.db2.gz QFDGFYDEOTZIQM-UHFFFAOYSA-N 0 3 272.264 2.131 10 5 CEBEHN C[C@H](NC1CC(CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000595105035 345742866 /nfs/dbraw/zinc/74/28/66/345742866.db2.gz VVIHSXNBNHWZKH-BMQDGWLCSA-N 0 3 250.298 2.016 10 5 CEBEHN Cc1cccc(COc2ccc(CN)cc2[N+](=O)[O-])n1 ZINC000092427234 180383659 /nfs/dbraw/zinc/38/36/59/180383659.db2.gz KCCPUHDEMLCLPO-UHFFFAOYSA-N 0 3 273.292 2.336 10 5 CEBEHN N=C(N)c1cc(Oc2cc(F)c([N+](=O)[O-])cc2F)ccn1 ZINC000110624134 186307016 /nfs/dbraw/zinc/30/70/16/186307016.db2.gz FTVNKWJQBPZTRD-UHFFFAOYSA-N 0 3 294.217 2.344 10 5 CEBEHN O=[N+]([O-])c1ccc(F)cc1CNCC1CCOCC1 ZINC000111163214 186364379 /nfs/dbraw/zinc/36/43/79/186364379.db2.gz SSCQLZZBZDFZPC-UHFFFAOYSA-N 0 3 268.288 2.250 10 5 CEBEHN CCN1CCC[C@H](Nc2cccc(OC)c2[N+](=O)[O-])C1 ZINC000134908912 366372423 /nfs/dbraw/zinc/37/24/23/366372423.db2.gz DMXINEPAPNMNQM-NSHDSACASA-N 0 3 279.340 2.500 10 5 CEBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000176976805 189017877 /nfs/dbraw/zinc/01/78/77/189017877.db2.gz UISLYAQSYDQXST-CQSZACIVSA-N 0 3 291.351 2.151 10 5 CEBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC([C@H](C)O)CC1 ZINC000183322890 189354735 /nfs/dbraw/zinc/35/47/35/189354735.db2.gz SXPNZVVWHMJTRN-LBPRGKRZSA-N 0 3 278.352 2.496 10 5 CEBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](N(C)C)C1 ZINC000162703460 367181475 /nfs/dbraw/zinc/18/14/75/367181475.db2.gz QAJZIPOSEWOSNI-LBPRGKRZSA-N 0 3 292.339 2.071 10 5 CEBEHN CC(=O)c1cc(N2C[C@@H](C)[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000228261508 370400431 /nfs/dbraw/zinc/40/04/31/370400431.db2.gz AUHYGCHGFHUSPK-BMIGLBTASA-N 0 3 291.351 2.184 10 5 CEBEHN C[C@H](N[C@@H]1CN2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC000020091032 170990307 /nfs/dbraw/zinc/99/03/07/170990307.db2.gz NPLBBEMGDNLZQZ-XHDPSFHLSA-N 0 3 275.352 2.340 10 5 CEBEHN CC[C@@H](C)Oc1cc([N+](=O)[O-])c(CN)cc1OC ZINC000037226389 173046600 /nfs/dbraw/zinc/04/66/00/173046600.db2.gz DJFCWEWPQHMAKU-MRVPVSSYSA-N 0 3 254.286 2.239 10 5 CEBEHN CC[C@H](C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000037386486 173169404 /nfs/dbraw/zinc/16/94/04/173169404.db2.gz OMXXWKGWSYQSKK-JTQLQIEISA-N 0 3 265.313 2.230 10 5 CEBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC1CCCC1 ZINC000037386891 173170763 /nfs/dbraw/zinc/17/07/63/173170763.db2.gz JBHQZNAXUQIZIL-UHFFFAOYSA-N 0 3 277.324 2.374 10 5 CEBEHN Cc1cccnc1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000071340061 176130032 /nfs/dbraw/zinc/13/00/32/176130032.db2.gz KNHOMLOPXFASIX-UHFFFAOYSA-N 0 3 287.319 2.467 10 5 CEBEHN C/C=C/COc1cc(CNCCOC)ccc1[N+](=O)[O-] ZINC000062733385 518518662 /nfs/dbraw/zinc/51/86/62/518518662.db2.gz KNSSCJIMSSDJLE-ONEGZZNKSA-N 0 3 280.324 2.286 10 5 CEBEHN CCNC(C)(C)C(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000061291961 519906579 /nfs/dbraw/zinc/90/65/79/519906579.db2.gz JWVZTFIGLAQESC-UHFFFAOYSA-N 0 3 265.313 2.230 10 5 CEBEHN CCOC(=O)C[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000052926277 520836151 /nfs/dbraw/zinc/83/61/51/520836151.db2.gz BYUCJSNTTDNCLF-SNVBAGLBSA-N 0 3 266.297 2.026 10 5 CEBEHN CNC(C)(C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000061316144 521940166 /nfs/dbraw/zinc/94/01/66/521940166.db2.gz XYEZFTMZWLIPBZ-UHFFFAOYSA-N 0 3 271.704 2.185 10 5 CEBEHN CN[C@H](C)c1cnn(Cc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000054720817 522452898 /nfs/dbraw/zinc/45/28/98/522452898.db2.gz NBZFNZSRPBEJST-SECBINFHSA-N 0 3 278.287 2.259 10 5 CEBEHN NC[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000061611063 527223884 /nfs/dbraw/zinc/22/38/84/527223884.db2.gz SFYDTHAHIDFQNV-AWEZNQCLSA-N 0 3 285.303 2.276 10 5 CEBEHN CC(C)(O)CNCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000096481028 527351991 /nfs/dbraw/zinc/35/19/91/527351991.db2.gz FLQYHRMZXOTEMK-UHFFFAOYSA-N 0 3 258.705 2.109 10 5 CEBEHN CC[C@@H](NCCC(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000036891650 361867463 /nfs/dbraw/zinc/86/74/63/361867463.db2.gz YKRVVZHYPHHRBZ-GFCCVEGCSA-N 0 3 266.297 2.199 10 5 CEBEHN CN(C)[C@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000062969298 362737933 /nfs/dbraw/zinc/73/79/33/362737933.db2.gz KWFJIFNLBUYKQL-JTQLQIEISA-N 0 3 297.742 2.024 10 5 CEBEHN CCn1nc(C)c([N+](=O)[O-])c1N[C@H](CN(C)C)C(C)C ZINC000091555613 180190247 /nfs/dbraw/zinc/19/02/47/180190247.db2.gz MDTXQJFTXMGWJD-LLVKDONJSA-N 0 3 283.376 2.118 10 5 CEBEHN CC(C)[C@@H](CO)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000092393562 180376368 /nfs/dbraw/zinc/37/63/68/180376368.db2.gz RYPVLFYVTPXCCO-ZYHUDNBSSA-N 0 3 252.314 2.262 10 5 CEBEHN CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2NC)CCN1C ZINC000110743031 186318566 /nfs/dbraw/zinc/31/85/66/186318566.db2.gz BADYIIIZWICFBJ-ZDUSSCGKSA-N 0 3 292.383 2.163 10 5 CEBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000176974460 189018271 /nfs/dbraw/zinc/01/82/71/189018271.db2.gz NBBBUVIZIIMUMQ-CQSZACIVSA-N 0 3 291.351 2.151 10 5 CEBEHN CC(C)(C)NCC(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000016473651 361489004 /nfs/dbraw/zinc/48/90/04/361489004.db2.gz GXOKZNBFUWWBND-UHFFFAOYSA-N 0 3 269.276 2.061 10 5 CEBEHN C[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])[C@@H](C)CN1 ZINC000086471257 363837891 /nfs/dbraw/zinc/83/78/91/363837891.db2.gz KFBPUMHTKDQNJS-QWRGUYRKSA-N 0 3 286.335 2.330 10 5 CEBEHN Cc1ccc(CNC[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000089164944 363944638 /nfs/dbraw/zinc/94/46/38/363944638.db2.gz FQIYHTXUGFWBOU-TZMCWYRMSA-N 0 3 264.325 2.154 10 5 CEBEHN CCN1CCC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000040502456 174298795 /nfs/dbraw/zinc/29/87/95/174298795.db2.gz ODASFZLWHKBSQR-CYBMUJFWSA-N 0 3 263.341 2.169 10 5 CEBEHN CO[C@H]1CN[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)c[nH]2)C1 ZINC000040637825 174362037 /nfs/dbraw/zinc/36/20/37/174362037.db2.gz WZAJGGQWBPJRMT-NEPJUHHUSA-N 0 3 288.307 2.034 10 5 CEBEHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1cc[nH]n1 ZINC000040676015 174373650 /nfs/dbraw/zinc/37/36/50/174373650.db2.gz LWYHUUCFIKZHKV-SNVBAGLBSA-N 0 3 260.297 2.211 10 5 CEBEHN O=[N+]([O-])c1ccc(CNCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000040675985 174373994 /nfs/dbraw/zinc/37/39/94/174373994.db2.gz KVNULDMLYFBUHJ-UHFFFAOYSA-N 0 3 291.263 2.428 10 5 CEBEHN CC(=O)c1cc([N+](=O)[O-])ccc1N(C)C[C@H]1CCN(C)C1 ZINC000071189381 176064883 /nfs/dbraw/zinc/06/48/83/176064883.db2.gz GDXDWTRPYLUOPG-LBPRGKRZSA-N 0 3 291.351 2.185 10 5 CEBEHN CC(C)(C)N1CCN(Cc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000050817364 518712585 /nfs/dbraw/zinc/71/25/85/518712585.db2.gz JXJVZJFTFGGLCR-UHFFFAOYSA-N 0 3 292.383 2.093 10 5 CEBEHN CCNCc1cc([N+](=O)[O-])ccc1OCc1ncccn1 ZINC000054458457 519993983 /nfs/dbraw/zinc/99/39/83/519993983.db2.gz SPXKSAQDZGPQBZ-UHFFFAOYSA-N 0 3 288.307 2.073 10 5 CEBEHN NCc1ccc([N+](=O)[O-])c(OCCc2ccncc2)c1 ZINC000050516301 527257155 /nfs/dbraw/zinc/25/71/55/527257155.db2.gz FBZLVNNPULWAHR-UHFFFAOYSA-N 0 3 273.292 2.070 10 5 CEBEHN O=[N+]([O-])c1cccc(-c2ncc(CNC3CC3)cn2)c1 ZINC000054856264 527383237 /nfs/dbraw/zinc/38/32/37/527383237.db2.gz WFKJAUKJFRBPEI-UHFFFAOYSA-N 0 3 270.292 2.304 10 5 CEBEHN CC[C@](C)(CO)NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000096832929 185116163 /nfs/dbraw/zinc/11/61/63/185116163.db2.gz CQKLGWIHLMYHAD-GFCCVEGCSA-N 0 3 272.732 2.499 10 5 CEBEHN Cc1ccc(CN[C@H]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000037321093 343426766 /nfs/dbraw/zinc/42/67/66/343426766.db2.gz DEZRRVQKQJUZII-STQMWFEESA-N 0 3 264.325 2.296 10 5 CEBEHN O=[N+]([O-])c1cccc(CN2CCC[C@H]2CCCO)c1 ZINC000052762348 362473782 /nfs/dbraw/zinc/47/37/82/362473782.db2.gz PLZDKKPLBULXLO-ZDUSSCGKSA-N 0 3 264.325 2.332 10 5 CEBEHN COc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCC[C@@H]1CO ZINC000089498939 179804883 /nfs/dbraw/zinc/80/48/83/179804883.db2.gz CRJHYNOANMRQBU-NWDGAFQWSA-N 0 3 294.351 2.102 10 5 CEBEHN COc1ccc([N+](=O)[O-])cc1CNC[C@](C)(O)CC(C)C ZINC000090272423 179944694 /nfs/dbraw/zinc/94/46/94/179944694.db2.gz YDIFGQUEXCFRQU-OAHLLOKOSA-N 0 3 296.367 2.490 10 5 CEBEHN COc1ccc(NC(=O)[C@@]2(C)CCCCN2)cc1[N+](=O)[O-] ZINC000133670798 366246404 /nfs/dbraw/zinc/24/64/04/366246404.db2.gz WFKHMNHLASUQLK-CQSZACIVSA-N 0 3 293.323 2.074 10 5 CEBEHN COc1ccc(CN[C@@H]2CCCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000135721658 366472410 /nfs/dbraw/zinc/47/24/10/366472410.db2.gz RVHLNEXGSUFYGU-TZMCWYRMSA-N 0 3 294.351 2.387 10 5 CEBEHN N=C(N)c1cccnc1Oc1ccc([N+](=O)[O-])cc1 ZINC000038080195 174090029 /nfs/dbraw/zinc/09/00/29/174090029.db2.gz KNOJCBNOJRGRPW-UHFFFAOYSA-N 0 3 258.237 2.066 10 5 CEBEHN CN(C)[C@@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000269663151 273808371 /nfs/dbraw/zinc/80/83/71/273808371.db2.gz UQCPGZMYZIPYMJ-MRVPVSSYSA-N 0 3 271.267 2.013 10 5 CEBEHN CCNC(C)(C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000061288026 519906379 /nfs/dbraw/zinc/90/63/79/519906379.db2.gz JMXUZYJXQDYURQ-UHFFFAOYSA-N 0 3 265.313 2.230 10 5 CEBEHN CCNC(C)(C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000061291981 519908092 /nfs/dbraw/zinc/90/80/92/519908092.db2.gz FCCGTUDFPHPRSB-UHFFFAOYSA-N 0 3 265.313 2.230 10 5 CEBEHN CCNCc1cc([N+](=O)[O-])ccc1OC1CCOCC1 ZINC000069288955 519993556 /nfs/dbraw/zinc/99/35/56/519993556.db2.gz BOZZLTFNVMKJQT-UHFFFAOYSA-N 0 3 280.324 2.262 10 5 CEBEHN CCNc1ccc(CN(CCO)C(C)C)cc1[N+](=O)[O-] ZINC000050817932 520300863 /nfs/dbraw/zinc/30/08/63/520300863.db2.gz XNLKBLPNNOENHM-UHFFFAOYSA-N 0 3 281.356 2.229 10 5 CEBEHN CN1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1N ZINC000052841307 523800270 /nfs/dbraw/zinc/80/02/70/523800270.db2.gz HLVMULIBWUTSFU-NSHDSACASA-N 0 3 264.329 2.073 10 5 CEBEHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)CN1CCCC1 ZINC000049165342 525464433 /nfs/dbraw/zinc/46/44/33/525464433.db2.gz LWJMOARZRYIIGP-GFCCVEGCSA-N 0 3 293.367 2.177 10 5 CEBEHN Cc1ccc([N+](=O)[O-])cc1-c1noc([C@@H]2CCCN2)n1 ZINC000050441193 526069807 /nfs/dbraw/zinc/06/98/07/526069807.db2.gz DQRPMCUWXVCBJK-NSHDSACASA-N 0 3 274.280 2.378 10 5 CEBEHN O=[N+]([O-])c1ccccc1CCNCc1ccccn1 ZINC000062726204 527399197 /nfs/dbraw/zinc/39/91/97/527399197.db2.gz YUWXTGKCQVOAGI-UHFFFAOYSA-N 0 3 257.293 2.322 10 5 CEBEHN CCN1CC[C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000336888051 365935908 /nfs/dbraw/zinc/93/59/08/365935908.db2.gz DUVBJRUFFIDQFV-DGCLKSJQSA-N 0 3 263.341 2.340 10 5 CEBEHN CC(C)n1cncc1COc1ccc([N+](=O)[O-])cc1CN ZINC000090236759 179936811 /nfs/dbraw/zinc/93/68/11/179936811.db2.gz OHBAJOGVNYPJOB-UHFFFAOYSA-N 0 3 290.323 2.410 10 5 CEBEHN CC[C@H]1CN(Cc2ccc(NC)c([N+](=O)[O-])c2)CCN1C ZINC000110743022 186319281 /nfs/dbraw/zinc/31/92/81/186319281.db2.gz OLGCDKQUZUQOQH-ZDUSSCGKSA-N 0 3 292.383 2.163 10 5 CEBEHN CCNc1ccc(CN(C)CCN(C)C)cc1[N+](=O)[O-] ZINC000111146189 186359350 /nfs/dbraw/zinc/35/93/50/186359350.db2.gz NDXFJEYGUNUTLM-UHFFFAOYSA-N 0 3 280.372 2.020 10 5 CEBEHN CC(C)(N)c1cn(Cc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000070118047 363033967 /nfs/dbraw/zinc/03/39/67/363033967.db2.gz UZLVWMSDVNXGMF-UHFFFAOYSA-N 0 3 295.730 2.082 10 5 CEBEHN CCN1CCC[C@@H]1CN(C)c1cc(CO)ccc1[N+](=O)[O-] ZINC000302026772 201306541 /nfs/dbraw/zinc/30/65/41/201306541.db2.gz IKOOOISTYRTPAM-CYBMUJFWSA-N 0 3 293.367 2.008 10 5 CEBEHN CCN1CCCC[C@@H]1CNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302080219 201335791 /nfs/dbraw/zinc/33/57/91/201335791.db2.gz ZWHFBAFCBNTQLN-CYBMUJFWSA-N 0 3 293.367 2.373 10 5 CEBEHN C[C@H](NC[C@@H]1CCCN1C)c1ccccc1[N+](=O)[O-] ZINC000219162258 370220285 /nfs/dbraw/zinc/22/02/85/370220285.db2.gz JVGOBVQSWAKVDQ-RYUDHWBXSA-N 0 3 263.341 2.340 10 5 CEBEHN O=[N+]([O-])c1ccc(CN[C@@H]2CCCCC[C@@H]2O)cc1 ZINC000037894590 285115109 /nfs/dbraw/zinc/11/51/09/285115109.db2.gz RYULCFJESZKDCB-KGLIPLIRSA-N 0 3 264.325 2.378 10 5 CEBEHN Cc1c(NC(=O)[C@@H]2CCCCCN2)cccc1[N+](=O)[O-] ZINC000080995148 177750349 /nfs/dbraw/zinc/75/03/49/177750349.db2.gz IXNLXRDQAQEKNA-LBPRGKRZSA-N 0 3 277.324 2.374 10 5 CEBEHN C[C@@H](O)c1ccc(N(C)C2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000035631324 172313827 /nfs/dbraw/zinc/31/38/27/172313827.db2.gz JBBQVVYDUXYKLB-LLVKDONJSA-N 0 3 293.367 2.179 10 5 CEBEHN O=[N+]([O-])c1cc(CNC[C@@H]2CCCOC2)c(F)cc1F ZINC000038045154 174053456 /nfs/dbraw/zinc/05/34/56/174053456.db2.gz MDDQUKZKSQEJBX-VIFPVBQESA-N 0 3 286.278 2.389 10 5 CEBEHN N=C(N)c1cccnc1Oc1cccc([N+](=O)[O-])c1 ZINC000038080374 174089900 /nfs/dbraw/zinc/08/99/00/174089900.db2.gz AXYZVHRFBMFNRI-UHFFFAOYSA-N 0 3 258.237 2.066 10 5 CEBEHN CCC[C@H](NCCC(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000044988906 175285407 /nfs/dbraw/zinc/28/54/07/175285407.db2.gz SYZYUSYIZFMRQF-ZDUSSCGKSA-N 0 3 279.340 2.162 10 5 CEBEHN Cc1c(CN2C[C@H](C)C[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000401691960 533847230 /nfs/dbraw/zinc/84/72/30/533847230.db2.gz GVNAZNOUZQVQHG-ZWNOBZJWSA-N 0 3 264.325 2.106 10 5 CEBEHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H]1CN(C)C ZINC000061644772 518292628 /nfs/dbraw/zinc/29/26/28/518292628.db2.gz VMKILASOGAISLN-ZDUSSCGKSA-N 0 3 291.351 2.328 10 5 CEBEHN Cc1cccc(Oc2ccnc(C(=N)N)c2)c1[N+](=O)[O-] ZINC000061814633 524786910 /nfs/dbraw/zinc/78/69/10/524786910.db2.gz PJIJAAJGPYSVHH-UHFFFAOYSA-N 0 3 272.264 2.375 10 5 CEBEHN CC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(C)C ZINC000082295102 177949585 /nfs/dbraw/zinc/94/95/85/177949585.db2.gz NSFNWFMGUABMJD-CYBMUJFWSA-N 0 3 250.298 2.093 10 5 CEBEHN C[C@@H](NC1CC(CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595105079 345742843 /nfs/dbraw/zinc/74/28/43/345742843.db2.gz WYXITYXQGBKMJS-GRZMOONWSA-N 0 3 250.298 2.016 10 5 CEBEHN C[C@H](NCc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000595432708 345781676 /nfs/dbraw/zinc/78/16/76/345781676.db2.gz IBDMQYMOLVLUKM-ZANVPECISA-N 0 3 268.288 2.391 10 5 CEBEHN CC[C@@](C)(O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000087011409 179379238 /nfs/dbraw/zinc/37/92/38/179379238.db2.gz IIBGEIWZSDQVBH-GXFFZTMASA-N 0 3 252.314 2.406 10 5 CEBEHN O=[N+]([O-])c1ccc(CNCC[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000090359713 179977085 /nfs/dbraw/zinc/97/70/85/179977085.db2.gz ZMLCNVQUFSMRIA-GFCCVEGCSA-N 0 3 295.295 2.162 10 5 CEBEHN Cc1c(NC[C@H]2CN3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000091673154 180224379 /nfs/dbraw/zinc/22/43/79/180224379.db2.gz MGGIMCZRPQLZHP-OLZOCXBDSA-N 0 3 291.351 2.178 10 5 CEBEHN O=[N+]([O-])c1cc(F)cc(NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000091672899 180224542 /nfs/dbraw/zinc/22/45/42/180224542.db2.gz ZFLPAQMFJAUFHN-TZMCWYRMSA-N 0 3 295.314 2.009 10 5 CEBEHN CN(C)CCNc1ccnc2cccc([N+](=O)[O-])c21 ZINC000027549350 361653844 /nfs/dbraw/zinc/65/38/44/361653844.db2.gz QRSXMZSYORXZBR-UHFFFAOYSA-N 0 3 260.297 2.117 10 5 CEBEHN O=[N+]([O-])c1c2cccnc2ccc1N1CCN2CCC[C@H]2C1 ZINC000246062973 285079712 /nfs/dbraw/zinc/07/97/12/285079712.db2.gz GZUAIVVXSXBUQX-LBPRGKRZSA-N 0 3 298.346 2.427 10 5 CEBEHN CNc1ccc([N+](=O)[O-])cc1CN(CCCO)C(C)C ZINC000050818072 522645810 /nfs/dbraw/zinc/64/58/10/522645810.db2.gz PBUCKBTYKWFPCM-UHFFFAOYSA-N 0 3 281.356 2.229 10 5 CEBEHN CC[C@@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000037386491 173169906 /nfs/dbraw/zinc/16/99/06/173169906.db2.gz RWKIVFCPHMZLKL-SNVBAGLBSA-N 0 3 265.313 2.230 10 5 CEBEHN CCNCc1ccc([N+](=O)[O-])c(O[C@H](C)C(=O)OCC)c1 ZINC000050516921 520001098 /nfs/dbraw/zinc/00/10/98/520001098.db2.gz BIIBZSAMBGPHDX-SNVBAGLBSA-N 0 3 296.323 2.035 10 5 CEBEHN CN1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1N ZINC000052841305 523796146 /nfs/dbraw/zinc/79/61/46/523796146.db2.gz HLVMULIBWUTSFU-LLVKDONJSA-N 0 3 264.329 2.073 10 5 CEBEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000069132952 525101774 /nfs/dbraw/zinc/10/17/74/525101774.db2.gz BDZLTKYGHFSEPL-DTORHVGOSA-N 0 3 297.742 2.071 10 5 CEBEHN Cc1c(OCc2cccnc2C(=N)N)cccc1[N+](=O)[O-] ZINC000061658815 525880727 /nfs/dbraw/zinc/88/07/27/525880727.db2.gz MBLSPVBDGJZMJM-UHFFFAOYSA-N 0 3 286.291 2.161 10 5 CEBEHN N=C(N)c1cc(Oc2ccc([N+](=O)[O-])cc2F)ccn1 ZINC000061814634 526821911 /nfs/dbraw/zinc/82/19/11/526821911.db2.gz MJCATNGOUJXPQA-UHFFFAOYSA-N 0 3 276.227 2.205 10 5 CEBEHN Cc1ncc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000054822318 526891607 /nfs/dbraw/zinc/89/16/07/526891607.db2.gz JAUOWIHXBBSYAU-VIFPVBQESA-N 0 3 260.297 2.477 10 5 CEBEHN NCc1ccc([N+](=O)[O-])c(OCc2ccncc2)c1 ZINC000050516598 527258548 /nfs/dbraw/zinc/25/85/48/527258548.db2.gz WOCXSCSCEXGTHV-UHFFFAOYSA-N 0 3 259.265 2.028 10 5 CEBEHN O=[N+]([O-])c1ccc(CNC2CC2)cc1OC(F)F ZINC000050517293 527350274 /nfs/dbraw/zinc/35/02/74/527350274.db2.gz MWZSSLNOTVZKQJ-UHFFFAOYSA-N 0 3 258.224 2.448 10 5 CEBEHN O=[N+]([O-])c1cc(-c2n[nH]c3c2CNCC3)ccc1Cl ZINC000082813842 178315781 /nfs/dbraw/zinc/31/57/81/178315781.db2.gz LKZOAVBHYXFLBW-UHFFFAOYSA-N 0 3 278.699 2.284 10 5 CEBEHN C[C@H]1CNCCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000054374877 343589478 /nfs/dbraw/zinc/58/94/78/343589478.db2.gz VVJQFNOFIFJQEA-QMMMGPOBSA-N 0 3 255.705 2.046 10 5 CEBEHN NCc1ccccc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000085810024 179177783 /nfs/dbraw/zinc/17/77/83/179177783.db2.gz BYEVGBWZRYFSGO-UHFFFAOYSA-N 0 3 277.305 2.367 10 5 CEBEHN CCN1CC[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000336888056 365935628 /nfs/dbraw/zinc/93/56/28/365935628.db2.gz DUVBJRUFFIDQFV-YPMHNXCESA-N 0 3 263.341 2.340 10 5 CEBEHN CCN1CCC[C@H](Nc2c([N+](=O)[O-])c(C(C)C)nn2C)C1 ZINC000091580788 180198738 /nfs/dbraw/zinc/19/87/38/180198738.db2.gz AKQNNMOZAPORPD-NSHDSACASA-N 0 3 295.387 2.348 10 5 CEBEHN CCCn1nc(C)c([N+](=O)[O-])c1NC1CCN(C)CC1 ZINC000091549705 180188581 /nfs/dbraw/zinc/18/85/81/180188581.db2.gz ZRXNBDTUWXINCU-UHFFFAOYSA-N 0 3 281.360 2.016 10 5 CEBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC([C@@H](C)O)CC1 ZINC000183322872 189354837 /nfs/dbraw/zinc/35/48/37/189354837.db2.gz SXPNZVVWHMJTRN-GFCCVEGCSA-N 0 3 278.352 2.496 10 5 CEBEHN CC[C@H](NC[C@@H](O)CSC)c1cccc([N+](=O)[O-])c1 ZINC000188233341 189495303 /nfs/dbraw/zinc/49/53/03/189495303.db2.gz DVEBACMLBVEXEF-OLZOCXBDSA-N 0 3 284.381 2.359 10 5 CEBEHN O=[N+]([O-])c1ccc(CCN2CCN3CCCC[C@@H]3C2)cc1 ZINC000172800837 367821701 /nfs/dbraw/zinc/82/17/01/367821701.db2.gz RWGJUOSYHUOCRR-MRXNPFEDSA-N 0 3 289.379 2.307 10 5 CEBEHN CCCN1CCCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302026342 394471177 /nfs/dbraw/zinc/47/11/77/394471177.db2.gz ICWZIBHCYZNWMX-UHFFFAOYSA-N 0 3 293.367 2.009 10 5 CEBEHN C[C@H](N[C@H]1CCCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC000040672639 174370277 /nfs/dbraw/zinc/37/02/77/174370277.db2.gz CZRRCMZFNJRUGC-RYUDHWBXSA-N 0 3 263.341 2.340 10 5 CEBEHN CN1CCCC[C@@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000044561553 175205185 /nfs/dbraw/zinc/20/51/85/175205185.db2.gz OUPKPBQGFNWXQY-CYBMUJFWSA-N 0 3 263.341 2.169 10 5 CEBEHN CCN1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000194310431 270295661 /nfs/dbraw/zinc/29/56/61/270295661.db2.gz ZAINJDQQTVYPJP-LBPRGKRZSA-N 0 3 292.339 2.201 10 5 CEBEHN CC(C)C[C@@H](CN(C)C)Nc1ccncc1[N+](=O)[O-] ZINC000049558287 519776164 /nfs/dbraw/zinc/77/61/64/519776164.db2.gz MVDBPGONMNFGDR-NSHDSACASA-N 0 3 266.345 2.378 10 5 CEBEHN CCNCc1nccn1CCc1ccccc1[N+](=O)[O-] ZINC000062727127 520023544 /nfs/dbraw/zinc/02/35/44/520023544.db2.gz RIZZMDALPYBYSD-UHFFFAOYSA-N 0 3 274.324 2.144 10 5 CEBEHN CN[C@@H](C)c1cnn(CCc2ccccc2[N+](=O)[O-])c1 ZINC000062727346 522336058 /nfs/dbraw/zinc/33/60/58/522336058.db2.gz HMHHGOGSRJWDQM-NSHDSACASA-N 0 3 274.324 2.314 10 5 CEBEHN CNc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1CCCO ZINC000052763222 522646855 /nfs/dbraw/zinc/64/68/55/522646855.db2.gz IFXUQIMFXCSWNY-ZDUSSCGKSA-N 0 3 293.367 2.373 10 5 CEBEHN O=[N+]([O-])c1ccc(CNCC2CCOCC2)c([N+](=O)[O-])c1 ZINC000090359820 179977071 /nfs/dbraw/zinc/97/70/71/179977071.db2.gz OCSIETMVHRQBTQ-UHFFFAOYSA-N 0 3 295.295 2.019 10 5 CEBEHN CNc1ccc(CN(C)C[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000107065226 186158861 /nfs/dbraw/zinc/15/88/61/186158861.db2.gz FDMWHMXEHCPYIS-CYBMUJFWSA-N 0 3 293.367 2.495 10 5 CEBEHN O=[N+]([O-])c1cccc(CN2CCC[C@H]2Cn2ccnc2)c1 ZINC000177101864 189028483 /nfs/dbraw/zinc/02/84/83/189028483.db2.gz LSZGYZZQTPRLDF-HNNXBMFYSA-N 0 3 286.335 2.456 10 5 CEBEHN O=[N+]([O-])c1ccc2nc(OCC[C@H]3CCCC[NH2+]3)[n-]c2c1 ZINC000094772353 364293534 /nfs/dbraw/zinc/29/35/34/364293534.db2.gz RXTHMOVJKFOLEL-SNVBAGLBSA-N 0 3 290.323 2.382 10 5 CEBEHN O=[N+]([O-])c1ccc2[n-]c(OCC[C@H]3CCCC[NH2+]3)nc2c1 ZINC000094772353 364293539 /nfs/dbraw/zinc/29/35/39/364293539.db2.gz RXTHMOVJKFOLEL-SNVBAGLBSA-N 0 3 290.323 2.382 10 5 CEBEHN Cn1cc([C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000116315363 365049060 /nfs/dbraw/zinc/04/90/60/365049060.db2.gz NSPFVDKFPXFEPD-ZDUSSCGKSA-N 0 3 286.335 2.318 10 5 CEBEHN Cc1ccnc(N2CCNCC23CCCCC3)c1[N+](=O)[O-] ZINC000088396710 135054170 /nfs/dbraw/zinc/05/41/70/135054170.db2.gz ZJSMPHXQDMSABP-UHFFFAOYSA-N 0 3 290.367 2.411 10 5 CEBEHN CCN1CCC[C@@H]1CNc1ccc(OC)cc1[N+](=O)[O-] ZINC000021049983 171294962 /nfs/dbraw/zinc/29/49/62/171294962.db2.gz VOQKBKJDWSZLSX-LLVKDONJSA-N 0 3 279.340 2.500 10 5 CEBEHN CO[C@H]1CN[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3)c[nH]2)C1 ZINC000040637823 174361680 /nfs/dbraw/zinc/36/16/80/174361680.db2.gz WZAJGGQWBPJRMT-VXGBXAGGSA-N 0 3 288.307 2.034 10 5 CEBEHN CO[C@H]1CN[C@H](c2nc(-c3ccccc3[N+](=O)[O-])c[nH]2)C1 ZINC000040637809 174361688 /nfs/dbraw/zinc/36/16/88/174361688.db2.gz LGIMVDQQRKAAAV-KOLCDFICSA-N 0 3 288.307 2.034 10 5 CEBEHN CC(=O)c1ccc(N(C)C[C@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC000071189367 176064217 /nfs/dbraw/zinc/06/42/17/176064217.db2.gz QTAIHLNDNVAXBJ-LBPRGKRZSA-N 0 3 291.351 2.185 10 5 CEBEHN CC(=O)c1ccc(N2C[C@@H](C)[C@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000251714937 277111934 /nfs/dbraw/zinc/11/19/34/277111934.db2.gz JPPRMTRGWRBZJU-MEBBXXQBSA-N 0 3 291.351 2.184 10 5 CEBEHN CCC[C@@H](N)C(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000050439878 520724713 /nfs/dbraw/zinc/72/47/13/520724713.db2.gz ZIZHXFPIJRESIX-SNVBAGLBSA-N 0 3 265.313 2.278 10 5 CEBEHN C/C=C/COc1ccc(CNCCOC)cc1[N+](=O)[O-] ZINC000062730735 518518027 /nfs/dbraw/zinc/51/80/27/518518027.db2.gz ZCGVONQLVIHQMC-ONEGZZNKSA-N 0 3 280.324 2.286 10 5 CEBEHN COCC[C@H](N)c1nc(-c2cccc([N+](=O)[O-])c2)c(C)[nH]1 ZINC000052811210 521951590 /nfs/dbraw/zinc/95/15/90/521951590.db2.gz LORCGQANIUJIPI-LBPRGKRZSA-N 0 3 290.323 2.330 10 5 CEBEHN COC(=O)CCOc1ccc(CNC(C)C)cc1[N+](=O)[O-] ZINC000069316920 523105931 /nfs/dbraw/zinc/10/59/31/523105931.db2.gz XGJVYWVTJMTOMG-UHFFFAOYSA-N 0 3 296.323 2.035 10 5 CEBEHN CSCC[C@H](N)C(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000050439867 525585955 /nfs/dbraw/zinc/58/59/55/525585955.db2.gz UQCNONKIWBYNFZ-JTQLQIEISA-N 0 3 297.380 2.231 10 5 CEBEHN Cc1c(Oc2ccnc(C(=N)N)c2)cccc1[N+](=O)[O-] ZINC000061814631 525882753 /nfs/dbraw/zinc/88/27/53/525882753.db2.gz DSQFNGUYODBNKM-UHFFFAOYSA-N 0 3 272.264 2.375 10 5 CEBEHN Cc1nc(COc2cc(CN)ccc2[N+](=O)[O-])cs1 ZINC000050516435 526905610 /nfs/dbraw/zinc/90/56/10/526905610.db2.gz VPQJIZPZTHPHOI-UHFFFAOYSA-N 0 3 279.321 2.397 10 5 CEBEHN Nc1cc([N+](=O)[O-])ccc1OCCN1CCCCC1 ZINC000052841787 527461445 /nfs/dbraw/zinc/46/14/45/527461445.db2.gz KGKIOVFVKIQIQO-UHFFFAOYSA-N 0 3 265.313 2.042 10 5 CEBEHN NCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000085810357 179177438 /nfs/dbraw/zinc/17/74/38/179177438.db2.gz WNKOUSJAJNTWEO-UHFFFAOYSA-N 0 3 289.266 2.445 10 5 CEBEHN O=[N+]([O-])c1ccc(F)cc1CNC[C@@H]1CCCC[C@@H]1O ZINC000085985339 179211616 /nfs/dbraw/zinc/21/16/16/179211616.db2.gz WUNAPGCZKBOUKH-HZMBPMFUSA-N 0 3 282.315 2.375 10 5 CEBEHN CC(C)(C)NCc1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000090298135 179953160 /nfs/dbraw/zinc/95/31/60/179953160.db2.gz ZCQYMNNCCLOYRU-UHFFFAOYSA-N 0 3 289.339 2.123 10 5 CEBEHN CCNCc1cc([N+](=O)[O-])ccc1OCc1cncn1C ZINC000091278344 180121443 /nfs/dbraw/zinc/12/14/43/180121443.db2.gz BPZRUJPBWHUPRI-UHFFFAOYSA-N 0 3 290.323 2.017 10 5 CEBEHN CCN1CCC[C@@H]1CNc1c([N+](=O)[O-])c(C(C)C)nn1C ZINC000091576383 180197801 /nfs/dbraw/zinc/19/78/01/180197801.db2.gz DUXRFWKHWMROMD-LLVKDONJSA-N 0 3 295.387 2.348 10 5 CEBEHN CCc1nn(-c2cccc([N+](=O)[O-])c2)c(CC)c1CN ZINC000092319739 180361657 /nfs/dbraw/zinc/36/16/57/180361657.db2.gz KRXQTYOTWBHKEM-UHFFFAOYSA-N 0 3 274.324 2.364 10 5 CEBEHN CCOCCN(CC)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000107062201 186157896 /nfs/dbraw/zinc/15/78/96/186157896.db2.gz NACGBWPCZSQGIZ-UHFFFAOYSA-N 0 3 281.356 2.495 10 5 CEBEHN Cc1c(CN2[C@@H]3CC[C@H]2CC(O)C3)cccc1[N+](=O)[O-] ZINC000107927479 186197958 /nfs/dbraw/zinc/19/79/58/186197958.db2.gz PPOVINVODNQBPE-PBWFPOADSA-N 0 3 276.336 2.391 10 5 CEBEHN C[C@@H](O)c1ccc(N2CCC[C@H]2CN(C)C)c([N+](=O)[O-])c1 ZINC000109584167 186263486 /nfs/dbraw/zinc/26/34/86/186263486.db2.gz NRQIBQUOXLVBKV-YPMHNXCESA-N 0 3 293.367 2.179 10 5 CEBEHN COc1cc(NC[C@H]2CCCCN2C)ccc1[N+](=O)[O-] ZINC000111048899 186348405 /nfs/dbraw/zinc/34/84/05/186348405.db2.gz MZZUBEDJPZOLES-GFCCVEGCSA-N 0 3 279.340 2.500 10 5 CEBEHN CC[C@@H](NC[C@H](O)COC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181536662 368467449 /nfs/dbraw/zinc/46/74/49/368467449.db2.gz DIBYYKJXZJERAI-LSDHHAIUSA-N 0 3 296.367 2.421 10 5 CEBEHN CC[C@H](C)Oc1cc([N+](=O)[O-])c(CN)cc1OC ZINC000037226390 173046717 /nfs/dbraw/zinc/04/67/17/173046717.db2.gz DJFCWEWPQHMAKU-QMMMGPOBSA-N 0 3 254.286 2.239 10 5 CEBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC1CCCC1 ZINC000037386893 173171021 /nfs/dbraw/zinc/17/10/21/173171021.db2.gz KUTLSNVSLSXVRQ-UHFFFAOYSA-N 0 3 277.324 2.374 10 5 CEBEHN CCN1CCC[C@@H](Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000040503224 174299589 /nfs/dbraw/zinc/29/95/89/174299589.db2.gz PAVCCUOIZMRFKZ-LLVKDONJSA-N 0 3 279.340 2.500 10 5 CEBEHN C[C@H](NCCc1nccn1C)c1ccccc1[N+](=O)[O-] ZINC000040638990 174363136 /nfs/dbraw/zinc/36/31/36/174363136.db2.gz HJKAAKJMKDVSHK-NSHDSACASA-N 0 3 274.324 2.222 10 5 CEBEHN CC(C)CCOCCOc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516292 519668901 /nfs/dbraw/zinc/66/89/01/519668901.db2.gz FDPSUPPWWKPHGL-UHFFFAOYSA-N 0 3 282.340 2.495 10 5 CEBEHN COCC[C@@H](N)c1nc(-c2ccc(C)c([N+](=O)[O-])c2)c[nH]1 ZINC000052811261 521834810 /nfs/dbraw/zinc/83/48/10/521834810.db2.gz YZYHSPSVJZVQEV-LLVKDONJSA-N 0 3 290.323 2.330 10 5 CEBEHN CC[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2CO)CC1 ZINC000055067932 522133401 /nfs/dbraw/zinc/13/34/01/522133401.db2.gz YYYMHICSENVDRR-GFCCVEGCSA-N 0 3 293.367 2.008 10 5 CEBEHN Cc1cc(NC(=O)[C@@](C)(N)C2CC2)c([N+](=O)[O-])cc1C ZINC000050439846 525223273 /nfs/dbraw/zinc/22/32/73/525223273.db2.gz IAZRYBACXHTUHW-AWEZNQCLSA-N 0 3 277.324 2.278 10 5 CEBEHN Cc1nc(-c2ccccc2[N+](=O)[O-])ncc1[C@H](C)N ZINC000054962577 526609695 /nfs/dbraw/zinc/60/96/95/526609695.db2.gz UEQCDEVUZLGMIX-QMMMGPOBSA-N 0 3 258.281 2.380 10 5 CEBEHN N=C(N)c1cc(Oc2ccc([N+](=O)[O-])c(F)c2)ccn1 ZINC000061814652 526822420 /nfs/dbraw/zinc/82/24/20/526822420.db2.gz JIBKPODQQVMEEM-UHFFFAOYSA-N 0 3 276.227 2.205 10 5 CEBEHN NCc1ccc([N+](=O)[O-])c(OC[C@@H](O)c2ccccc2)c1 ZINC000050516312 527257676 /nfs/dbraw/zinc/25/76/76/527257676.db2.gz VQINYPSTLBCKPA-CQSZACIVSA-N 0 3 288.303 2.166 10 5 CEBEHN CCCN[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C)c2)C1=O ZINC000071036327 535185492 /nfs/dbraw/zinc/18/54/92/535185492.db2.gz WTSUJMXCGWPXJR-CYBMUJFWSA-N 0 3 291.351 2.398 10 5 CEBEHN C[C@@H]1Oc2c(c(Br)ccc2[N+](=O)[O-])[C@@H]1N ZINC000757176021 574511333 /nfs/dbraw/zinc/51/13/33/574511333.db2.gz SWIUXUUBWPPDOX-RNHFCUEFSA-N 0 3 273.086 2.138 10 5 CEBEHN CC[C@@](C)(CO)NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000096832928 185115243 /nfs/dbraw/zinc/11/52/43/185115243.db2.gz CQKLGWIHLMYHAD-LBPRGKRZSA-N 0 3 272.732 2.499 10 5 CEBEHN CN1CCC(Nc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000052119470 362467002 /nfs/dbraw/zinc/46/70/02/362467002.db2.gz YYINEMTXFBGFFZ-UHFFFAOYSA-N 0 3 253.277 2.240 10 5 CEBEHN CCOC(=O)C1Oc2ccc([N+](=O)[O-])cc2N=C1C ZINC000584626222 344968401 /nfs/dbraw/zinc/96/84/01/344968401.db2.gz FHHGBDCQQCGQDQ-NSHDSACASA-N 0 3 264.237 2.011 10 5 CEBEHN C[C@H](NC1CC(CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595105078 345742945 /nfs/dbraw/zinc/74/29/45/345742945.db2.gz WYXITYXQGBKMJS-BMQDGWLCSA-N 0 3 250.298 2.016 10 5 CEBEHN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)[C@H](CC)CN1 ZINC000086447596 179295589 /nfs/dbraw/zinc/29/55/89/179295589.db2.gz FIPAVUYTXHEZGU-NXEZZACHSA-N 0 3 297.380 2.259 10 5 CEBEHN CCN1CC[C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000336888054 365935750 /nfs/dbraw/zinc/93/57/50/365935750.db2.gz DUVBJRUFFIDQFV-WCQYABFASA-N 0 3 263.341 2.340 10 5 CEBEHN O=[N+]([O-])c1cc(CNCC2(O)CCCC2)c(F)cc1F ZINC000087016078 179379796 /nfs/dbraw/zinc/37/97/96/179379796.db2.gz RMALRBVKPIRSFX-UHFFFAOYSA-N 0 3 286.278 2.268 10 5 CEBEHN CCCc1nn(C)c(N[C@H]2CCCN(CC)C2)c1[N+](=O)[O-] ZINC000091582518 180198844 /nfs/dbraw/zinc/19/88/44/180198844.db2.gz XJCLZOXYNYVOKZ-NSHDSACASA-N 0 3 295.387 2.177 10 5 CEBEHN Cc1cnn(CCNCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000105908643 186087772 /nfs/dbraw/zinc/08/77/72/186087772.db2.gz KZPYWTSNJFPJKO-UHFFFAOYSA-N 0 3 274.324 2.198 10 5 CEBEHN CNc1ccc(CN(C)C[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000107065224 186159285 /nfs/dbraw/zinc/15/92/85/186159285.db2.gz FDMWHMXEHCPYIS-ZDUSSCGKSA-N 0 3 293.367 2.495 10 5 CEBEHN C[C@@H](O)c1ccc(N(C)[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000109584072 186264321 /nfs/dbraw/zinc/26/43/21/186264321.db2.gz YBFPRZDDLFNIRF-YPMHNXCESA-N 0 3 293.367 2.179 10 5 CEBEHN CC(C)(CCO)NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000135228346 187809375 /nfs/dbraw/zinc/80/93/75/187809375.db2.gz ITXYPOKLMVPUQD-UHFFFAOYSA-N 0 3 272.732 2.499 10 5 CEBEHN CN(C)CCN(C)c1ccnc2cccc([N+](=O)[O-])c21 ZINC000027525023 361654089 /nfs/dbraw/zinc/65/40/89/361654089.db2.gz MVWVXIAURFHQRC-UHFFFAOYSA-N 0 3 274.324 2.141 10 5 CEBEHN CC(C)N1C[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000302062086 201327439 /nfs/dbraw/zinc/32/74/39/201327439.db2.gz SHYUGMAEWIZVFE-FZMZJTMJSA-N 0 3 293.367 2.228 10 5 CEBEHN O=[N+]([O-])c1cnc(NC[C@@H]2NCCc3ccccc32)s1 ZINC000261741027 371716428 /nfs/dbraw/zinc/71/64/28/371716428.db2.gz MBCRFVHAPBSOJK-NSHDSACASA-N 0 3 290.348 2.350 10 5 CEBEHN CCN1CC[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000389252105 375300134 /nfs/dbraw/zinc/30/01/34/375300134.db2.gz BRPQPCCAASYPPZ-VIFPVBQESA-N 0 3 270.720 2.149 10 5 CEBEHN CCN1CC[C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000389290511 375301961 /nfs/dbraw/zinc/30/19/61/375301961.db2.gz XIVQTMMCIZTMMK-WCQYABFASA-N 0 3 263.341 2.340 10 5 CEBEHN Cc1ccc([N+](=O)[O-])c(N[C@H]2CN(C(C)C)C[C@@H]2C)n1 ZINC000129611646 394869370 /nfs/dbraw/zinc/86/93/70/394869370.db2.gz NILAAJKOXLDAIE-JQWIXIFHSA-N 0 3 278.356 2.439 10 5 CEBEHN CC[C@@H](N)C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000037365506 173154691 /nfs/dbraw/zinc/15/46/91/173154691.db2.gz ZOUWDUSFTQSRHZ-SSDOTTSWSA-N 0 3 291.229 2.289 10 5 CEBEHN Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](NC(C)C)C1=O ZINC000071034766 176024950 /nfs/dbraw/zinc/02/49/50/176024950.db2.gz RIEMIUWECKUVQI-GFCCVEGCSA-N 0 3 277.324 2.007 10 5 CEBEHN CC[C@@H](C)N(CCOC)Cc1cc([N+](=O)[O-])ccc1N ZINC000050816985 522092194 /nfs/dbraw/zinc/09/21/94/522092194.db2.gz SNNLXOKEHSUZTK-LLVKDONJSA-N 0 3 281.356 2.424 10 5 CEBEHN CNCc1ccc([N+](=O)[O-])c(OCC(F)(F)F)c1 ZINC000050516846 522124390 /nfs/dbraw/zinc/12/43/90/522124390.db2.gz KMYXHCKTOWTLBY-UHFFFAOYSA-N 0 3 264.203 2.255 10 5 CEBEHN COCCNCc1ccc(OC(C)C)c([N+](=O)[O-])c1 ZINC000062730706 523952174 /nfs/dbraw/zinc/95/21/74/523952174.db2.gz MAOQNMNNIQHOMM-UHFFFAOYSA-N 0 3 268.313 2.118 10 5 CEBEHN Cc1nccc(CNCCc2ccccc2[N+](=O)[O-])n1 ZINC000062726346 527337584 /nfs/dbraw/zinc/33/75/84/527337584.db2.gz CFKRZUZMVCJSHQ-UHFFFAOYSA-N 0 3 272.308 2.026 10 5 CEBEHN O=[N+]([O-])c1ccc(CN2CCC[C@H]2CCCO)cc1 ZINC000052761956 527349020 /nfs/dbraw/zinc/34/90/20/527349020.db2.gz DEHIYFXHKDIYOV-ZDUSSCGKSA-N 0 3 264.325 2.332 10 5 CEBEHN COC[C@H](C)NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000061012054 624652415 /nfs/dbraw/zinc/65/24/15/624652415.db2.gz LWJMFRZMBDQULN-QMMMGPOBSA-N 0 3 258.705 2.373 10 5 CEBEHN CCN1CC[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000336888048 365935519 /nfs/dbraw/zinc/93/55/19/365935519.db2.gz DUVBJRUFFIDQFV-AAEUAGOBSA-N 0 3 263.341 2.340 10 5 CEBEHN C[C@@H](NCC1CC(O)C1)c1ccccc1[N+](=O)[O-] ZINC000091423669 180151257 /nfs/dbraw/zinc/15/12/57/180151257.db2.gz UCDSQZPVKACMJU-KPPDAEKUSA-N 0 3 250.298 2.016 10 5 CEBEHN CCOCCN(CC)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000111122314 186355499 /nfs/dbraw/zinc/35/54/99/186355499.db2.gz UCBLUEPQHQRHRK-UHFFFAOYSA-N 0 3 267.329 2.035 10 5 CEBEHN CN(c1cc(F)cc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000115471268 186673526 /nfs/dbraw/zinc/67/35/26/186673526.db2.gz ZNHIAIMBBRPXGS-UHFFFAOYSA-N 0 3 267.304 2.264 10 5 CEBEHN COc1cc(N2CCN3CCC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000176996992 368257839 /nfs/dbraw/zinc/25/78/39/368257839.db2.gz YLTBLZAVSHPRGP-SNVBAGLBSA-N 0 3 295.314 2.027 10 5 CEBEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000282222347 375432086 /nfs/dbraw/zinc/43/20/86/375432086.db2.gz FATWTCSAMGMAHH-KWQFWETISA-N 0 3 297.742 2.005 10 5 CEBEHN O=[N+]([O-])c1ccc(CN2CCN3CCC[C@H]3C2)c(F)c1 ZINC000267052678 190300070 /nfs/dbraw/zinc/30/00/70/190300070.db2.gz REEPUBAGZHVTJM-ZDUSSCGKSA-N 0 3 279.315 2.014 10 5 CEBEHN O=[N+]([O-])c1ccc(-c2noc([C@H]3CCCN3)n2)cc1 ZINC000035697361 172365913 /nfs/dbraw/zinc/36/59/13/172365913.db2.gz FNLCJQPNPPWGSB-SNVBAGLBSA-N 0 3 260.253 2.069 10 5 CEBEHN CN(C[C@@H]1CCN(C)C1)c1nc(Cl)ccc1[N+](=O)[O-] ZINC000071192655 176074967 /nfs/dbraw/zinc/07/49/67/176074967.db2.gz ZYMIISNUKDCXAU-SECBINFHSA-N 0 3 284.747 2.031 10 5 CEBEHN Cc1c(CN2C[C@@H](C)C[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000401691957 533846435 /nfs/dbraw/zinc/84/64/35/533846435.db2.gz GVNAZNOUZQVQHG-GWCFXTLKSA-N 0 3 264.325 2.106 10 5 CEBEHN CC(C)NCc1nccn1Cc1ccc([N+](=O)[O-])cc1 ZINC000051005562 519729117 /nfs/dbraw/zinc/72/91/17/519729117.db2.gz DDGZFNNJPKDXHH-UHFFFAOYSA-N 0 3 274.324 2.338 10 5 CEBEHN CCN(Cc1ccc(N)c([N+](=O)[O-])c1)[C@H](C)COC ZINC000050814947 521322268 /nfs/dbraw/zinc/32/22/68/521322268.db2.gz MNCQLADETBRMDD-SNVBAGLBSA-N 0 3 267.329 2.034 10 5 CEBEHN COCCOc1ccc([N+](=O)[O-])cc1CNCC(C)C ZINC000062732040 524053119 /nfs/dbraw/zinc/05/31/19/524053119.db2.gz VYKRACANLUWRNI-UHFFFAOYSA-N 0 3 282.340 2.366 10 5 CEBEHN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCN1 ZINC000052783304 524671754 /nfs/dbraw/zinc/67/17/54/524671754.db2.gz KBMRKNOCYFLMOW-QMMMGPOBSA-N 0 3 289.257 2.412 10 5 CEBEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000069133349 525100813 /nfs/dbraw/zinc/10/08/13/525100813.db2.gz XYYLGUYPYVGJGQ-DTORHVGOSA-N 0 3 297.742 2.071 10 5 CEBEHN Cc1cc(Oc2ccnc(C(=N)N)c2)ccc1[N+](=O)[O-] ZINC000061814625 525387572 /nfs/dbraw/zinc/38/75/72/525387572.db2.gz BSPIFSDXDBHSJY-UHFFFAOYSA-N 0 3 272.264 2.375 10 5 CEBEHN O=[N+]([O-])c1ccccc1CCN1CCCC[C@@H]1CCO ZINC000062727284 527397980 /nfs/dbraw/zinc/39/79/80/527397980.db2.gz KFIZMQDQXTUMRE-CQSZACIVSA-N 0 3 278.352 2.374 10 5 CEBEHN CC[C@@H](NCC[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000131413409 652423749 /nfs/dbraw/zinc/42/37/49/652423749.db2.gz XYTNPBFPVFGOEA-KZULUSFZSA-N 0 3 270.354 2.014 10 5 CEBEHN CC(C)(C)[C@H](N)C[S@@](=O)c1ccccc1[N+](=O)[O-] ZINC000084033294 178773913 /nfs/dbraw/zinc/77/39/13/178773913.db2.gz HIRRXIJAFDUWJQ-ZMZPIMSZSA-N 0 3 270.354 2.076 10 5 CEBEHN NCc1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000085810270 179177552 /nfs/dbraw/zinc/17/75/52/179177552.db2.gz XGHNBSRFFOQDPZ-UHFFFAOYSA-N 0 3 285.303 2.235 10 5 CEBEHN CCN1CCN(Cc2cc([N+](=O)[O-])ccc2NC)C[C@@H]1C ZINC000110742709 186318638 /nfs/dbraw/zinc/31/86/38/186318638.db2.gz BAKAZIKSNGCHNM-LBPRGKRZSA-N 0 3 292.383 2.163 10 5 CEBEHN O=[N+]([O-])c1cc(CN2CCN3CCCC[C@@H]3C2)cs1 ZINC000172800849 367821917 /nfs/dbraw/zinc/82/19/17/367821917.db2.gz PYRIZBDFDIAUME-GFCCVEGCSA-N 0 3 281.381 2.326 10 5 CEBEHN CC(C)N1C[C@H](C)[C@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000249214989 371306733 /nfs/dbraw/zinc/30/67/33/371306733.db2.gz DSFMFPLZUNBNEI-DTWKUNHWSA-N 0 3 270.358 2.192 10 5 CEBEHN C[C@@H]1CN2CCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000301249150 379233371 /nfs/dbraw/zinc/23/33/71/379233371.db2.gz AIYGVOZUTGLETC-ZJUUUORDSA-N 0 3 296.758 2.316 10 5 CEBEHN C[C@H]1CNCCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000054374752 394560027 /nfs/dbraw/zinc/56/00/27/394560027.db2.gz SZDMFUWZPQKVAU-QMMMGPOBSA-N 0 3 255.705 2.046 10 5 CEBEHN CCN(CC)CCNCc1cc(F)ccc1[N+](=O)[O-] ZINC000035308067 172121634 /nfs/dbraw/zinc/12/16/34/172121634.db2.gz CNDQTHGILCDOTO-UHFFFAOYSA-N 0 3 269.320 2.165 10 5 CEBEHN CCN1CCC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000040502460 174298621 /nfs/dbraw/zinc/29/86/21/174298621.db2.gz HDQHFORTHCGYSY-CYBMUJFWSA-N 0 3 263.341 2.169 10 5 CEBEHN O=[N+]([O-])c1ccc(-n2cc(CNC3CC3)cn2)cc1 ZINC000040932335 174436070 /nfs/dbraw/zinc/43/60/70/174436070.db2.gz AIULGESVBLDIIX-UHFFFAOYSA-N 0 3 258.281 2.033 10 5 CEBEHN O=[N+]([O-])c1ccc(N2CCN3CCC[C@H]3C2)c(F)c1 ZINC000248891399 275036699 /nfs/dbraw/zinc/03/66/99/275036699.db2.gz BSMJJYKJFZGDOH-NSHDSACASA-N 0 3 265.288 2.018 10 5 CEBEHN CC(C)N1CC[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000052926258 519690343 /nfs/dbraw/zinc/69/03/43/519690343.db2.gz YZUIXQVCRWREEV-ZDUSSCGKSA-N 0 3 263.341 2.167 10 5 CEBEHN CCNCc1cnn(CCc2ccccc2[N+](=O)[O-])c1 ZINC000062727342 520018511 /nfs/dbraw/zinc/01/85/11/520018511.db2.gz FYNUBHTYSOAUOL-UHFFFAOYSA-N 0 3 274.324 2.144 10 5 CEBEHN CCC[C@H](N)C(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000050439876 521117998 /nfs/dbraw/zinc/11/79/98/521117998.db2.gz ZIZHXFPIJRESIX-JTQLQIEISA-N 0 3 265.313 2.278 10 5 CEBEHN COCC[C@@H](N)c1nc(-c2cccc([N+](=O)[O-])c2)c[nH]1 ZINC000052811126 521834733 /nfs/dbraw/zinc/83/47/33/521834733.db2.gz DZQUGTVKWGKNJR-LLVKDONJSA-N 0 3 276.296 2.021 10 5 CEBEHN CNCc1c(C)nn(CCc2ccccc2[N+](=O)[O-])c1C ZINC000062727124 522099917 /nfs/dbraw/zinc/09/99/17/522099917.db2.gz NPLFVPQQNKVTCM-UHFFFAOYSA-N 0 3 288.351 2.370 10 5 CEBEHN CNc1ccc(CN(CCOC)C2CC2)cc1[N+](=O)[O-] ZINC000050816151 522606824 /nfs/dbraw/zinc/60/68/24/522606824.db2.gz SGECIFBQDOHCTL-UHFFFAOYSA-N 0 3 279.340 2.247 10 5 CEBEHN C[C@H](CN1CCCC1)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000049151547 524316645 /nfs/dbraw/zinc/31/66/45/524316645.db2.gz RWMIGSDHGOUNEH-SNVBAGLBSA-N 0 3 299.321 2.447 10 5 CEBEHN N[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000062837733 527387358 /nfs/dbraw/zinc/38/73/58/527387358.db2.gz WBRNRCUVBKFZDC-LLVKDONJSA-N 0 3 291.332 2.086 10 5 CEBEHN COc1cc([N+](=O)[O-])ccc1OC1CCN(C)CC1 ZINC000038600934 361987078 /nfs/dbraw/zinc/98/70/78/361987078.db2.gz GJSCPTFOPWQABH-UHFFFAOYSA-N 0 3 266.297 2.076 10 5 CEBEHN CCc1nn(C)c(NC[C@@H](C)N2CCCCC2)c1[N+](=O)[O-] ZINC000091559849 180191716 /nfs/dbraw/zinc/19/17/16/180191716.db2.gz HYQMZJAMUIEGCH-LLVKDONJSA-N 0 3 295.387 2.177 10 5 CEBEHN O=[N+]([O-])c1cc(Cl)ccc1CNCC1CC(O)C1 ZINC000091524076 180178318 /nfs/dbraw/zinc/17/83/18/180178318.db2.gz XCDOOLVWXQQXTE-UHFFFAOYSA-N 0 3 270.716 2.109 10 5 CEBEHN CCc1nn(-c2ccccc2[N+](=O)[O-])c(CC)c1CN ZINC000092319721 180361685 /nfs/dbraw/zinc/36/16/85/180361685.db2.gz IUJTUOLFCZDNCU-UHFFFAOYSA-N 0 3 274.324 2.364 10 5 CEBEHN COc1ccc(NC(=O)[C@]2(C)CCCCN2)cc1[N+](=O)[O-] ZINC000133671032 366246338 /nfs/dbraw/zinc/24/63/38/366246338.db2.gz WFKHMNHLASUQLK-AWEZNQCLSA-N 0 3 293.323 2.074 10 5 CEBEHN CC(C)N1C[C@@H](C)[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302062085 201326147 /nfs/dbraw/zinc/32/61/47/201326147.db2.gz SHYUGMAEWIZVFE-BXUZGUMPSA-N 0 3 293.367 2.228 10 5 CEBEHN CN(C[C@H](N)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000114346165 364938844 /nfs/dbraw/zinc/93/88/44/364938844.db2.gz CNAHTFLEMVTQQC-LBPRGKRZSA-N 0 3 295.339 2.462 10 5 CEBEHN CC[C@@H](NC[C@@H](O)COC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181536701 368467620 /nfs/dbraw/zinc/46/76/20/368467620.db2.gz DIBYYKJXZJERAI-HUUCEWRRSA-N 0 3 296.367 2.421 10 5 CEBEHN CC[C@@H](C)[C@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000040487140 174289574 /nfs/dbraw/zinc/28/95/74/174289574.db2.gz WMVLEJIIZRZHRZ-HQJQHLMTSA-N 0 3 269.276 2.046 10 5 CEBEHN CCN1CCC[C@H](Nc2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000040503169 174300024 /nfs/dbraw/zinc/30/00/24/174300024.db2.gz MKYKQCQFPXIIAM-VIFPVBQESA-N 0 3 291.311 2.027 10 5 CEBEHN C[C@@H](NCCc1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000040638963 174362725 /nfs/dbraw/zinc/36/27/25/174362725.db2.gz PWYUTAKXYSUAIZ-LLVKDONJSA-N 0 3 274.324 2.222 10 5 CEBEHN CCNC(C)(C)C(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000061292486 519907357 /nfs/dbraw/zinc/90/73/57/519907357.db2.gz XNDQSAHSJCLIGQ-UHFFFAOYSA-N 0 3 295.339 2.320 10 5 CEBEHN COCC[C@H](N)c1nc(-c2ccccc2[N+](=O)[O-])c[nH]1 ZINC000052811221 521950715 /nfs/dbraw/zinc/95/07/15/521950715.db2.gz YMFIUHRGWYKDJV-JTQLQIEISA-N 0 3 276.296 2.021 10 5 CEBEHN CNCc1ccc([N+](=O)[O-])c(OCc2ccncc2)c1 ZINC000050516884 522125731 /nfs/dbraw/zinc/12/57/31/522125731.db2.gz XWHWWBPOIQEPPW-UHFFFAOYSA-N 0 3 273.292 2.288 10 5 CEBEHN COCCN(Cc1cc([N+](=O)[O-])ccc1N)[C@@H](C)C1CC1 ZINC000050816712 523740758 /nfs/dbraw/zinc/74/07/58/523740758.db2.gz BONFKDDYHRGHIK-NSHDSACASA-N 0 3 293.367 2.424 10 5 CEBEHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN)cc1OC ZINC000050423849 523888708 /nfs/dbraw/zinc/88/87/08/523888708.db2.gz LFZUPHCGUQDACM-VIFPVBQESA-N 0 3 268.313 2.487 10 5 CEBEHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1N)N1CCCCC1 ZINC000052841356 524754908 /nfs/dbraw/zinc/75/49/08/524754908.db2.gz WIFZGADCNSFUKW-NSHDSACASA-N 0 3 278.356 2.463 10 5 CEBEHN Cc1nc2cc(N3CCN[C@@H](C)C3)c([N+](=O)[O-])cc2s1 ZINC000052783443 527123698 /nfs/dbraw/zinc/12/36/98/527123698.db2.gz UEMFKJQAZWRIPO-QMMMGPOBSA-N 0 3 292.364 2.311 10 5 CEBEHN CC[C@H](NCC[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000131413174 652423887 /nfs/dbraw/zinc/42/38/87/652423887.db2.gz XYTNPBFPVFGOEA-KPZWWZAWSA-N 0 3 270.354 2.014 10 5 CEBEHN CNc1ccc([N+](=O)[O-])cc1CN1CCN(C)C(C)(C)C1 ZINC000110743198 186318766 /nfs/dbraw/zinc/31/87/66/186318766.db2.gz QEDZHXMXIBKCJT-UHFFFAOYSA-N 0 3 292.383 2.163 10 5 CEBEHN CC(C)(N)c1cn(Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000070118070 363033895 /nfs/dbraw/zinc/03/38/95/363033895.db2.gz NSDUJRALLUEYEC-UHFFFAOYSA-N 0 3 295.730 2.082 10 5 CEBEHN C[C@@H](NC[C@@H](O)COC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180452007 189256108 /nfs/dbraw/zinc/25/61/08/189256108.db2.gz GOYYIHALMVFFPR-BXUZGUMPSA-N 0 3 296.367 2.421 10 5 CEBEHN CN(C[C@@H](N)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000114346163 364938717 /nfs/dbraw/zinc/93/87/17/364938717.db2.gz CNAHTFLEMVTQQC-GFCCVEGCSA-N 0 3 295.339 2.462 10 5 CEBEHN O=[N+]([O-])c1ccc(F)cc1CNCC[C@@H]1CCCO1 ZINC000038096883 174111298 /nfs/dbraw/zinc/11/12/98/174111298.db2.gz BMTNXOVIXOCYGO-LBPRGKRZSA-N 0 3 268.288 2.393 10 5 CEBEHN CCN1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000194310445 270295977 /nfs/dbraw/zinc/29/59/77/270295977.db2.gz ZAINJDQQTVYPJP-GFCCVEGCSA-N 0 3 292.339 2.201 10 5 CEBEHN CC[C@H](C)N1CCN(Cc2cc([N+](=O)[O-])ccc2N)CC1 ZINC000055071131 523956967 /nfs/dbraw/zinc/95/69/67/523956967.db2.gz KKNYJCARGKAKCG-LBPRGKRZSA-N 0 3 292.383 2.093 10 5 CEBEHN NC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000061611069 527202083 /nfs/dbraw/zinc/20/20/83/527202083.db2.gz DKPGGCUSNSRGJR-CQSZACIVSA-N 0 3 285.303 2.276 10 5 CEBEHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H]1CN2CCC1CC2 ZINC000050443298 527334202 /nfs/dbraw/zinc/33/42/02/527334202.db2.gz FLVDKNPSDRPUAH-CYBMUJFWSA-N 0 3 295.770 2.432 10 5 CEBEHN CN(C)[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000062969309 282200079 /nfs/dbraw/zinc/20/00/79/282200079.db2.gz RFHXPZHDFLWIGH-SNVBAGLBSA-N 0 3 297.742 2.024 10 5 CEBEHN CC(C)NCc1ccn(-c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000089059709 179695351 /nfs/dbraw/zinc/69/53/51/179695351.db2.gz BHMWYNARLKHOAG-UHFFFAOYSA-N 0 3 278.287 2.418 10 5 CEBEHN Cc1ccc([C@H](C)NC2CC(O)C2)cc1[N+](=O)[O-] ZINC000091433341 180154458 /nfs/dbraw/zinc/15/44/58/180154458.db2.gz JIEBKJBBFXCHCU-GCVQQVDUSA-N 0 3 250.298 2.077 10 5 CEBEHN CCCc1nn(C)c(N[C@@H](CN(C)C)C(C)C)c1[N+](=O)[O-] ZINC000091576601 180197910 /nfs/dbraw/zinc/19/79/10/180197910.db2.gz ZYCKBMFTUZPFIQ-LBPRGKRZSA-N 0 3 297.403 2.279 10 5 CEBEHN CCCc1nn(C)c(N[C@@H]2CCCN(CC)C2)c1[N+](=O)[O-] ZINC000091582516 180199209 /nfs/dbraw/zinc/19/92/09/180199209.db2.gz XJCLZOXYNYVOKZ-LLVKDONJSA-N 0 3 295.387 2.177 10 5 CEBEHN CN(Cc1ccc(N)c([N+](=O)[O-])c1)C[C@H]1CCCOC1 ZINC000111170670 186365776 /nfs/dbraw/zinc/36/57/76/186365776.db2.gz QRZFSVLOVOFJCT-GFCCVEGCSA-N 0 3 279.340 2.035 10 5 CEBEHN O=[N+]([O-])c1cc(CN[C@H]2CCCCC[C@@H]2O)cs1 ZINC000135661940 366464448 /nfs/dbraw/zinc/46/44/48/366464448.db2.gz DHWMEXGRALPPQQ-QWRGUYRKSA-N 0 3 270.354 2.440 10 5 CEBEHN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000248664359 371233161 /nfs/dbraw/zinc/23/31/61/371233161.db2.gz JUYDBMAMMWWIFA-ZYHUDNBSSA-N 0 3 295.387 2.260 10 5 CEBEHN CN(C)C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000108952068 394733130 /nfs/dbraw/zinc/73/31/30/394733130.db2.gz RJJUTYQCFIPOKK-LLVKDONJSA-N 0 3 299.758 2.015 10 5 CEBEHN Cc1cc([N+](=O)[O-])ccc1NC[C@H](O)CN1CCCCC1 ZINC000175013383 395129668 /nfs/dbraw/zinc/12/96/68/395129668.db2.gz TZIHWWOXZVZHOA-AWEZNQCLSA-N 0 3 293.367 2.162 10 5 CEBEHN O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCCN3)n2)cc1 ZINC000035697359 172365688 /nfs/dbraw/zinc/36/56/88/172365688.db2.gz FNLCJQPNPPWGSB-JTQLQIEISA-N 0 3 260.253 2.069 10 5 CEBEHN C[C@H](NCCc1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000040639008 174363053 /nfs/dbraw/zinc/36/30/53/174363053.db2.gz QKHKDSJZFZMFFZ-NSHDSACASA-N 0 3 274.324 2.222 10 5 CEBEHN O=[N+]([O-])c1ccc(CNCCN2CCCCCC2)o1 ZINC000040767829 174398327 /nfs/dbraw/zinc/39/83/27/174398327.db2.gz BIKFJZFKCUQWMU-UHFFFAOYSA-N 0 3 267.329 2.153 10 5 CEBEHN Cc1cc(N2CC[C@H](NC(C)C)C2=O)ccc1[N+](=O)[O-] ZINC000071036320 176025644 /nfs/dbraw/zinc/02/56/44/176025644.db2.gz AQYUEMKVHBRQKA-LBPRGKRZSA-N 0 3 277.324 2.007 10 5 CEBEHN CC[C@H](NC[C@@H](O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000071300056 176113101 /nfs/dbraw/zinc/11/31/01/176113101.db2.gz BPIUPOBFXWNSIZ-UONOGXRCSA-N 0 3 264.325 2.406 10 5 CEBEHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CCCC[C@@H]1O ZINC000077204993 177233015 /nfs/dbraw/zinc/23/30/15/177233015.db2.gz ZNDVQSLWEKYCDU-JSGCOSHPSA-N 0 3 264.325 2.236 10 5 CEBEHN CNc1ccc(CN(C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000050815909 522606780 /nfs/dbraw/zinc/60/67/80/522606780.db2.gz RPTHPYLGFLKIAE-LBPRGKRZSA-N 0 3 279.340 2.247 10 5 CEBEHN CCn1ccnc1NCCc1ccc([N+](=O)[O-])cc1 ZINC000050614150 523550685 /nfs/dbraw/zinc/55/06/85/523550685.db2.gz XBCKRKDGABTIMX-UHFFFAOYSA-N 0 3 260.297 2.466 10 5 CEBEHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCN1 ZINC000052783303 525068341 /nfs/dbraw/zinc/06/83/41/525068341.db2.gz KBMRKNOCYFLMOW-MRVPVSSYSA-N 0 3 289.257 2.412 10 5 CEBEHN Cc1nn(CCc2ccccc2[N+](=O)[O-])c(C)c1CN ZINC000062727123 526282352 /nfs/dbraw/zinc/28/23/52/526282352.db2.gz POOFJUQDOOZCNT-UHFFFAOYSA-N 0 3 274.324 2.110 10 5 CEBEHN Nc1cc([N+](=O)[O-])ccc1NCCN1CCCCC1 ZINC000052841092 527460384 /nfs/dbraw/zinc/46/03/84/527460384.db2.gz SMHDVCDTBBYRPQ-UHFFFAOYSA-N 0 3 264.329 2.075 10 5 CEBEHN O=[N+]([O-])c1ccccc1CNCC[C@@H]1CCCO1 ZINC000038095844 343433576 /nfs/dbraw/zinc/43/35/76/343433576.db2.gz KACUZJCLTPBFOD-LBPRGKRZSA-N 0 3 250.298 2.254 10 5 CEBEHN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](CC)CN1 ZINC000086446075 179294745 /nfs/dbraw/zinc/29/47/45/179294745.db2.gz SYAHTPOQVDRMRS-CHWSQXEVSA-N 0 3 291.351 2.197 10 5 CEBEHN O=[N+]([O-])c1cccc(CN2[C@@H]3CC[C@H]2CC(O)C3)c1 ZINC000107923356 186197235 /nfs/dbraw/zinc/19/72/35/186197235.db2.gz HYABLTHQRTYWDM-ONXXMXGDSA-N 0 3 262.309 2.083 10 5 CEBEHN C[C@H](NC[C@H]1CCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000089163796 363943200 /nfs/dbraw/zinc/94/32/00/363943200.db2.gz WJQBFVZGGMQDRO-SUHUHFCYSA-N 0 3 264.325 2.406 10 5 CEBEHN O=[N+]([O-])c1ccc(CN2CCN3CCCC[C@H]3C2)cc1 ZINC000246135069 370913478 /nfs/dbraw/zinc/91/34/78/370913478.db2.gz CUFBZNGOLBBMQU-HNNXBMFYSA-N 0 3 275.352 2.265 10 5 CEBEHN CC(=O)c1cc(N2C[C@H](N(C)C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000228261519 370401174 /nfs/dbraw/zinc/40/11/74/370401174.db2.gz AUHYGCHGFHUSPK-BONVTDFDSA-N 0 3 291.351 2.184 10 5 CEBEHN CC(C)CNCc1cc([N+](=O)[O-])ccc1O[C@H](C)[C@H](C)O ZINC000094653450 184835526 /nfs/dbraw/zinc/83/55/26/184835526.db2.gz SNHUTEJJXYHOKG-NWDGAFQWSA-N 0 3 296.367 2.489 10 5 CEBEHN CO[C@H]1CN[C@@H](c2nc(-c3ccccc3[N+](=O)[O-])c[nH]2)C1 ZINC000040637807 174361997 /nfs/dbraw/zinc/36/19/97/174361997.db2.gz LGIMVDQQRKAAAV-MWLCHTKSSA-N 0 3 288.307 2.034 10 5 CEBEHN O=[N+]([O-])c1ccccc1-c1noc([C@H]2CCCN2)n1 ZINC000044731998 175240877 /nfs/dbraw/zinc/24/08/77/175240877.db2.gz YJJZYGOVWANURT-SECBINFHSA-N 0 3 260.253 2.069 10 5 CEBEHN CC(C)N[C@@H]1CCN(c2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000071036914 176025775 /nfs/dbraw/zinc/02/57/75/176025775.db2.gz YCCKOVUELGHDIT-LLVKDONJSA-N 0 3 297.742 2.352 10 5 CEBEHN CC(C)C[C@H](CN(C)C)Nc1ncccc1[N+](=O)[O-] ZINC000049558192 519344484 /nfs/dbraw/zinc/34/44/84/519344484.db2.gz LCONJDDSELKPMV-LLVKDONJSA-N 0 3 266.345 2.378 10 5 CEBEHN CNc1ccc(CN(C)[C@@H](C)COC)cc1[N+](=O)[O-] ZINC000050815217 522605803 /nfs/dbraw/zinc/60/58/03/522605803.db2.gz RBDKXSWYPHLBAX-JTQLQIEISA-N 0 3 267.329 2.103 10 5 CEBEHN COc1cc([N+](=O)[O-])ccc1Oc1ncccc1C(=N)N ZINC000050505609 522985531 /nfs/dbraw/zinc/98/55/31/522985531.db2.gz CNROOELQGPWYGL-UHFFFAOYSA-N 0 3 288.263 2.075 10 5 CEBEHN COCCCNCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000061002851 523376571 /nfs/dbraw/zinc/37/65/71/523376571.db2.gz VPTUTYNJNDSXDK-UHFFFAOYSA-N 0 3 258.705 2.374 10 5 CEBEHN COc1ccc(Oc2ccnc(C(=N)N)c2)c([N+](=O)[O-])c1 ZINC000061814628 524993796 /nfs/dbraw/zinc/99/37/96/524993796.db2.gz QBDLKTLFYUVSRK-UHFFFAOYSA-N 0 3 288.263 2.075 10 5 CEBEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000069132954 525097399 /nfs/dbraw/zinc/09/73/99/525097399.db2.gz BDZLTKYGHFSEPL-RKDXNWHRSA-N 0 3 297.742 2.071 10 5 CEBEHN NCc1ccc([N+](=O)[O-])c(OCCc2cccnc2)c1 ZINC000063221708 527257068 /nfs/dbraw/zinc/25/70/68/527257068.db2.gz YMJNEWFPSKWXDK-UHFFFAOYSA-N 0 3 273.292 2.070 10 5 CEBEHN COc1ccc(CNCC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000038097343 343433585 /nfs/dbraw/zinc/43/35/85/343433585.db2.gz MTWIZRZMYHTCQZ-LBPRGKRZSA-N 0 3 280.324 2.262 10 5 CEBEHN CN(C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000062969301 362737720 /nfs/dbraw/zinc/73/77/20/362737720.db2.gz ZEFSVSMMDQDKDJ-SNVBAGLBSA-N 0 3 297.742 2.024 10 5 CEBEHN COc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCCC[C@@H]1O ZINC000085986657 179212018 /nfs/dbraw/zinc/21/20/18/179212018.db2.gz XDQRQWTVGXTSEB-FZMZJTMJSA-N 0 3 294.351 2.244 10 5 CEBEHN COc1ccc(CNC[C@](C)(O)CC(C)C)cc1[N+](=O)[O-] ZINC000090271933 179944702 /nfs/dbraw/zinc/94/47/02/179944702.db2.gz ZGROQGNOMWBMJJ-OAHLLOKOSA-N 0 3 296.367 2.490 10 5 CEBEHN CCCNc1ccnc(Cn2cc([N+](=O)[O-])cn2)c1 ZINC000092419504 180382068 /nfs/dbraw/zinc/38/20/68/180382068.db2.gz QMRSMNKGMQUXPH-UHFFFAOYSA-N 0 3 261.285 2.057 10 5 CEBEHN Cc1cccc(COc2cc(CN)ccc2[N+](=O)[O-])n1 ZINC000092427591 180383644 /nfs/dbraw/zinc/38/36/44/180383644.db2.gz YOSFRSXBUQFHKR-UHFFFAOYSA-N 0 3 273.292 2.336 10 5 CEBEHN CCN1CCC[C@H](Nc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000107039868 186157113 /nfs/dbraw/zinc/15/71/13/186157113.db2.gz MKMLREVKZMHGBP-LBPRGKRZSA-N 0 3 279.340 2.500 10 5 CEBEHN COCc1cc([N+](=O)[O-])ccc1N1CCN2CCC[C@@H]2C1 ZINC000175105199 368099781 /nfs/dbraw/zinc/09/97/81/368099781.db2.gz HAOQVAXIBLVEGF-CQSZACIVSA-N 0 3 291.351 2.026 10 5 CEBEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000176974473 395143928 /nfs/dbraw/zinc/14/39/28/395143928.db2.gz NBBBUVIZIIMUMQ-AWEZNQCLSA-N 0 3 291.351 2.151 10 5 CEBEHN CC1(C)CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CCN1 ZINC000212279804 400304466 /nfs/dbraw/zinc/30/44/66/400304466.db2.gz NFMCGXUAXRSPRP-UHFFFAOYSA-N 0 3 286.335 2.331 10 5 CEBEHN NCc1cc([N+](=O)[O-])ccc1OCc1ccncc1 ZINC000035414595 172188732 /nfs/dbraw/zinc/18/87/32/172188732.db2.gz OFDDDQUGAHLKKB-UHFFFAOYSA-N 0 3 259.265 2.028 10 5 CEBEHN CCNc1ccc(CN(C)[C@@H](C)COC)cc1[N+](=O)[O-] ZINC000050815219 520299580 /nfs/dbraw/zinc/29/95/80/520299580.db2.gz ALFQFQRZXNRPPQ-NSHDSACASA-N 0 3 281.356 2.493 10 5 CEBEHN CCNC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000061299170 519907515 /nfs/dbraw/zinc/90/75/15/519907515.db2.gz MOHVKKNDPAVMTN-UHFFFAOYSA-N 0 3 269.276 2.061 10 5 CEBEHN CCNCc1ccc([N+](=O)[O-])c(OCC(=O)OC(C)C)c1 ZINC000050516924 520000977 /nfs/dbraw/zinc/00/09/77/520000977.db2.gz OMPGKGJYIIIYNO-UHFFFAOYSA-N 0 3 296.323 2.035 10 5 CEBEHN COc1ncccc1CNCCc1ccccc1[N+](=O)[O-] ZINC000062726320 525061300 /nfs/dbraw/zinc/06/13/00/525061300.db2.gz OJWMYHUFJANWRD-UHFFFAOYSA-N 0 3 287.319 2.331 10 5 CEBEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000069133381 525101795 /nfs/dbraw/zinc/10/17/95/525101795.db2.gz PCXSQBAHKYYLKQ-DTORHVGOSA-N 0 3 297.742 2.071 10 5 CEBEHN Cc1cc(NC(=O)[C@H]2CCCCN2)c([N+](=O)[O-])cc1C ZINC000050439813 525232393 /nfs/dbraw/zinc/23/23/93/525232393.db2.gz VBSIAEKLZUMEBI-LLVKDONJSA-N 0 3 277.324 2.292 10 5 CEBEHN COc1ccc([N+](=O)[O-])cc1Oc1ccnc(C(=N)N)c1 ZINC000061814629 525472255 /nfs/dbraw/zinc/47/22/55/525472255.db2.gz YUEBRILHRIHDIM-UHFFFAOYSA-N 0 3 288.263 2.075 10 5 CEBEHN N=C(N)c1cc(Sc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000061814718 526822309 /nfs/dbraw/zinc/82/23/09/526822309.db2.gz ZSTKJJKJYFWGOQ-UHFFFAOYSA-N 0 3 274.305 2.425 10 5 CEBEHN O=[N+]([O-])c1ccc(Cl)cc1CNCC1CC(O)C1 ZINC000093633018 629251752 /nfs/dbraw/zinc/25/17/52/629251752.db2.gz DMDZRBMWQYYWEM-UHFFFAOYSA-N 0 3 270.716 2.109 10 5 CEBEHN NCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000085810472 179177245 /nfs/dbraw/zinc/17/72/45/179177245.db2.gz FPNSTABCBMKEDJ-UHFFFAOYSA-N 0 3 271.276 2.306 10 5 CEBEHN Cc1nn(C)c(C)c1CNCCc1ccccc1[N+](=O)[O-] ZINC000090736088 180034460 /nfs/dbraw/zinc/03/44/60/180034460.db2.gz QJRLUIQNXJCRKM-UHFFFAOYSA-N 0 3 288.351 2.277 10 5 CEBEHN CCCCCC[C@H](O)C(CO[C@@H]1CCCO1)[N+](=O)[O-] ZINC000104846802 186028894 /nfs/dbraw/zinc/02/88/94/186028894.db2.gz KRAWYJATLAEFFS-RWMBFGLXSA-N 0 3 275.345 2.116 10 5 CEBEHN CC(C)c1nn(C)c(N[C@@H](CN(C)C)C(C)C)c1[N+](=O)[O-] ZINC000091583955 180199527 /nfs/dbraw/zinc/19/95/27/180199527.db2.gz BJMISXJDLCIWLP-NSHDSACASA-N 0 3 297.403 2.450 10 5 CEBEHN CCC[C@](N)(CC(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000091691538 180227413 /nfs/dbraw/zinc/22/74/13/180227413.db2.gz HMXLVEDHRHYPBJ-ZDUSSCGKSA-N 0 3 266.297 2.112 10 5 CEBEHN CN(C)CCN(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000111136910 186357991 /nfs/dbraw/zinc/35/79/91/186357991.db2.gz MSGMLWMJINWJJQ-UHFFFAOYSA-N 0 3 271.748 2.242 10 5 CEBEHN O=[N+]([O-])c1cnc(NCc2ccc3c(c2)CNC3)s1 ZINC000226784368 370351807 /nfs/dbraw/zinc/35/18/07/370351807.db2.gz CGYBUPHZUDKXBG-UHFFFAOYSA-N 0 3 276.321 2.267 10 5 CEBEHN CCN1CC[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000389446860 375304519 /nfs/dbraw/zinc/30/45/19/375304519.db2.gz PEWSHKUPANIRKP-NSHDSACASA-N 0 3 283.759 2.432 10 5 CEBEHN Cn1cc(CNC2CC2)c(-c2ccccc2[N+](=O)[O-])n1 ZINC000093297320 184661687 /nfs/dbraw/zinc/66/16/87/184661687.db2.gz NPWDDPNBUJFCJR-UHFFFAOYSA-N 0 3 272.308 2.247 10 5 CEBEHN O=[N+]([O-])c1ccc(CN[C@H]2CCCCC[C@H]2O)cc1 ZINC000037894593 285115754 /nfs/dbraw/zinc/11/57/54/285115754.db2.gz RYULCFJESZKDCB-UONOGXRCSA-N 0 3 264.325 2.378 10 5 CEBEHN CC[C@H]1CN2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])s1 ZINC000192478178 395385344 /nfs/dbraw/zinc/38/53/44/395385344.db2.gz NLDZLCPSOAMJEO-VHSXEESVSA-N 0 3 282.369 2.114 10 5 CEBEHN C[C@@H](NCCc1nccn1C)c1ccccc1[N+](=O)[O-] ZINC000040638991 174362792 /nfs/dbraw/zinc/36/27/92/174362792.db2.gz HJKAAKJMKDVSHK-LLVKDONJSA-N 0 3 274.324 2.222 10 5 CEBEHN CN1CCC[C@H](Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000040673495 174372410 /nfs/dbraw/zinc/37/24/10/174372410.db2.gz IXXNPNILWDKIEJ-JTQLQIEISA-N 0 3 253.277 2.240 10 5 CEBEHN Cc1cc(N2CC[C@@H](NC(C)C)C2=O)ccc1[N+](=O)[O-] ZINC000071036321 176025360 /nfs/dbraw/zinc/02/53/60/176025360.db2.gz AQYUEMKVHBRQKA-GFCCVEGCSA-N 0 3 277.324 2.007 10 5 CEBEHN CC(C)NCc1ccc([N+](=O)[O-])c(O[C@H]2CCOC2)c1 ZINC000070071824 519727432 /nfs/dbraw/zinc/72/74/32/519727432.db2.gz WGHKLVJAKSZMJN-LBPRGKRZSA-N 0 3 280.324 2.261 10 5 CEBEHN CCNCc1cnc(-c2cc([N+](=O)[O-])ccc2C)nc1 ZINC000054855662 520014850 /nfs/dbraw/zinc/01/48/50/520014850.db2.gz FPJZUAVCXSRBEL-UHFFFAOYSA-N 0 3 272.308 2.470 10 5 CEBEHN CCN(Cc1ccc(NC)c([N+](=O)[O-])c1)[C@@H](C)COC ZINC000050814976 521322513 /nfs/dbraw/zinc/32/25/13/521322513.db2.gz KVTFYUMKTSOUPC-NSHDSACASA-N 0 3 281.356 2.493 10 5 CEBEHN CCCN(CCN(C)C)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050816484 521658068 /nfs/dbraw/zinc/65/80/68/521658068.db2.gz DLRQDDYVNXNION-UHFFFAOYSA-N 0 3 294.399 2.410 10 5 CEBEHN CNCc1cnn(Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000054719197 522148553 /nfs/dbraw/zinc/14/85/53/522148553.db2.gz FLNGBRDLSGZQJP-UHFFFAOYSA-N 0 3 280.715 2.212 10 5 CEBEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000069133376 525101187 /nfs/dbraw/zinc/10/11/87/525101187.db2.gz IQIGFPWRXCDXOB-DTORHVGOSA-N 0 3 297.742 2.071 10 5 CEBEHN C[C@@H](O)c1ccc(N2CCC[C@@H]2CN(C)C)c([N+](=O)[O-])c1 ZINC000061645483 525868596 /nfs/dbraw/zinc/86/85/96/525868596.db2.gz NRQIBQUOXLVBKV-DGCLKSJQSA-N 0 3 293.367 2.179 10 5 CEBEHN Cc1ncc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000054822319 526893065 /nfs/dbraw/zinc/89/30/65/526893065.db2.gz JAUOWIHXBBSYAU-SECBINFHSA-N 0 3 260.297 2.477 10 5 CEBEHN CC[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](CC)CN1 ZINC000086447412 179295696 /nfs/dbraw/zinc/29/56/96/179295696.db2.gz QULGKJIUECIFNH-MNOVXSKESA-N 0 3 297.380 2.259 10 5 CEBEHN C[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000086467621 179298256 /nfs/dbraw/zinc/29/82/56/179298256.db2.gz YXMQOBZQYCCQJJ-IUCAKERBSA-N 0 3 297.742 2.071 10 5 CEBEHN CC[C@](C)(O)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000087027890 179381696 /nfs/dbraw/zinc/38/16/96/179381696.db2.gz ZACPFPSDUOLQCG-LBPRGKRZSA-N 0 3 272.732 2.499 10 5 CEBEHN CC(C)c1nn(C)c(NC[C@@H]2CCCCN2C)c1[N+](=O)[O-] ZINC000091582887 180199123 /nfs/dbraw/zinc/19/91/23/180199123.db2.gz WOXPDMRLUCBVDB-NSHDSACASA-N 0 3 295.387 2.348 10 5 CEBEHN CN(Cc1cc([N+](=O)[O-])ccc1N)C[C@@H]1CCCOC1 ZINC000111170646 186365145 /nfs/dbraw/zinc/36/51/45/186365145.db2.gz FNHZZCZLHPMBHM-NSHDSACASA-N 0 3 279.340 2.035 10 5 CEBEHN CCN1CCC[C@@H]1CN(C)c1nc(C)ccc1[N+](=O)[O-] ZINC000178244204 189100479 /nfs/dbraw/zinc/10/04/79/189100479.db2.gz TUXUBZKDGSLCDG-GFCCVEGCSA-N 0 3 278.356 2.219 10 5 CEBEHN O=[N+]([O-])c1ccc2nc(OCC[C@@H]3CCCC[NH2+]3)[n-]c2c1 ZINC000094772352 364294461 /nfs/dbraw/zinc/29/44/61/364294461.db2.gz RXTHMOVJKFOLEL-JTQLQIEISA-N 0 3 290.323 2.382 10 5 CEBEHN O=[N+]([O-])c1ccc2[n-]c(OCC[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000094772352 364294470 /nfs/dbraw/zinc/29/44/70/364294470.db2.gz RXTHMOVJKFOLEL-JTQLQIEISA-N 0 3 290.323 2.382 10 5 CEBEHN COc1cc([N+](=O)[O-])ccc1OCCN1CCCC1 ZINC000097757672 364517808 /nfs/dbraw/zinc/51/78/08/364517808.db2.gz OBPFHJKEIFNNHY-UHFFFAOYSA-N 0 3 266.297 2.078 10 5 CEBEHN Cc1c(CNC(=O)[C@]2(C)CCCCN2)cccc1[N+](=O)[O-] ZINC000231856043 370496183 /nfs/dbraw/zinc/49/61/83/370496183.db2.gz NMHRLLLUUKWCJP-HNNXBMFYSA-N 0 3 291.351 2.052 10 5 CEBEHN Cc1ccc(NC(=O)CNC2CCCC2)c([N+](=O)[O-])c1 ZINC000037386876 173169706 /nfs/dbraw/zinc/16/97/06/173169706.db2.gz NKFBOVKHYGXMQF-UHFFFAOYSA-N 0 3 277.324 2.374 10 5 CEBEHN O=C(CNC1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000037386883 173171078 /nfs/dbraw/zinc/17/10/78/173171078.db2.gz JDRGKHARZFBRES-UHFFFAOYSA-N 0 3 263.297 2.066 10 5 CEBEHN CC(=O)c1cc([N+](=O)[O-])ccc1N(C)C[C@@H]1CCN(C)C1 ZINC000071189380 176064312 /nfs/dbraw/zinc/06/43/12/176064312.db2.gz GDXDWTRPYLUOPG-GFCCVEGCSA-N 0 3 291.351 2.185 10 5 CEBEHN O=[N+]([O-])c1c(F)cccc1N1CCN2CCC[C@H]2C1 ZINC000246074641 275032704 /nfs/dbraw/zinc/03/27/04/275032704.db2.gz JIOSTZBVXVIIOX-JTQLQIEISA-N 0 3 265.288 2.018 10 5 CEBEHN CCCN(CCO)Cc1cc([N+](=O)[O-])ccc1NCC ZINC000050815798 521667064 /nfs/dbraw/zinc/66/70/64/521667064.db2.gz HOAQBGBMBCNLQB-UHFFFAOYSA-N 0 3 281.356 2.231 10 5 CEBEHN CC(C)(C)N1CCN(Cc2cc([N+](=O)[O-])ccc2N)CC1 ZINC000050817365 518712240 /nfs/dbraw/zinc/71/22/40/518712240.db2.gz PQXWCEFFYLNMKY-UHFFFAOYSA-N 0 3 292.383 2.093 10 5 CEBEHN CC(C)NCc1ccc([N+](=O)[O-])c(O[C@@H]2CCC[C@@H]2O)c1 ZINC000050517160 519727459 /nfs/dbraw/zinc/72/74/59/519727459.db2.gz HLAORYRQLNRIPX-UONOGXRCSA-N 0 3 294.351 2.385 10 5 CEBEHN CC(C)[C@@H](CN(C)C)NCc1ccccc1[N+](=O)[O-] ZINC000049196984 519793706 /nfs/dbraw/zinc/79/37/06/519793706.db2.gz FKIRTZZHBRCIBF-CYBMUJFWSA-N 0 3 265.357 2.271 10 5 CEBEHN CCN(Cc1cc([N+](=O)[O-])ccc1NC)[C@@H](C)COC ZINC000050814980 521295018 /nfs/dbraw/zinc/29/50/18/521295018.db2.gz CRTAWLUKCGUION-NSHDSACASA-N 0 3 281.356 2.493 10 5 CEBEHN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN)cc1OC ZINC000050423847 522002078 /nfs/dbraw/zinc/00/20/78/522002078.db2.gz LFZUPHCGUQDACM-SECBINFHSA-N 0 3 268.313 2.487 10 5 CEBEHN CNCc1ccc([N+](=O)[O-])c(OC[C@H]2CCCCO2)c1 ZINC000050516661 522125682 /nfs/dbraw/zinc/12/56/82/522125682.db2.gz XRMXXEXYXCSABA-GFCCVEGCSA-N 0 3 280.324 2.262 10 5 CEBEHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](CN(C)C)C(C)C ZINC000049205591 525461101 /nfs/dbraw/zinc/46/11/01/525461101.db2.gz IXLBCTPAVZZBRU-AWEZNQCLSA-N 0 3 295.383 2.279 10 5 CEBEHN Cc1ccc([N+](=O)[O-])c(OCc2cccnc2C(=N)N)c1 ZINC000061658804 526063591 /nfs/dbraw/zinc/06/35/91/526063591.db2.gz VOLLTTBBMQJEEO-UHFFFAOYSA-N 0 3 286.291 2.161 10 5 CEBEHN N=C(N)c1cc(Oc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000061814621 526822378 /nfs/dbraw/zinc/82/23/78/526822378.db2.gz JURUEKHSXXEYGP-UHFFFAOYSA-N 0 3 258.237 2.066 10 5 CEBEHN NC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000061611070 527224724 /nfs/dbraw/zinc/22/47/24/527224724.db2.gz DKPGGCUSNSRGJR-AWEZNQCLSA-N 0 3 285.303 2.276 10 5 CEBEHN CN(C)[C@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000062969310 282263860 /nfs/dbraw/zinc/26/38/60/282263860.db2.gz RFHXPZHDFLWIGH-JTQLQIEISA-N 0 3 297.742 2.024 10 5 CEBEHN O=[N+]([O-])c1cnn(CCN[C@H]2CCc3ccccc32)c1 ZINC000090538012 179999372 /nfs/dbraw/zinc/99/93/72/179999372.db2.gz CCOYVSLRTFJURL-AWEZNQCLSA-N 0 3 272.308 2.068 10 5 CEBEHN Cc1cc(N[C@H](CN(C)C)C(C)C)ncc1[N+](=O)[O-] ZINC000092026958 180308304 /nfs/dbraw/zinc/30/83/04/180308304.db2.gz ZBKYCMYMZSISFY-LLVKDONJSA-N 0 3 266.345 2.296 10 5 CEBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000176975585 189017803 /nfs/dbraw/zinc/01/78/03/189017803.db2.gz SGEIVFCOTKNWSP-LLVKDONJSA-N 0 3 297.380 2.213 10 5 CEBEHN O=[N+]([O-])c1ccc(CN2CCC[C@H]2Cn2ccnc2)cc1 ZINC000177101318 189028965 /nfs/dbraw/zinc/02/89/65/189028965.db2.gz SSYYWLDVXNXAPH-HNNXBMFYSA-N 0 3 286.335 2.456 10 5 CEBEHN CC[C@H](NC[C@H](O)COC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181536645 368467532 /nfs/dbraw/zinc/46/75/32/368467532.db2.gz DIBYYKJXZJERAI-GJZGRUSLSA-N 0 3 296.367 2.421 10 5 CEBEHN Cc1c(CN2CCC[C@H](O)[C@H]2C)cccc1[N+](=O)[O-] ZINC000296444409 378534455 /nfs/dbraw/zinc/53/44/55/378534455.db2.gz WRGDQISWEOTJTF-RISCZKNCSA-N 0 3 264.325 2.248 10 5 CEBEHN CO[C@H](C)CNCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000191222618 130204834 /nfs/dbraw/zinc/20/48/34/130204834.db2.gz SQYJYSWPNUFIQJ-MRVPVSSYSA-N 0 3 258.705 2.373 10 5 CEBEHN C[C@H](NC[C@H]1CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000251582431 131130096 /nfs/dbraw/zinc/13/00/96/131130096.db2.gz WJQBFVZGGMQDRO-ZKYQVNSYSA-N 0 3 264.325 2.406 10 5 CEBEHN CCN[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C)c2)C1=O ZINC000071036333 134956093 /nfs/dbraw/zinc/95/60/93/134956093.db2.gz LBWJYWBPPWGBCM-GFCCVEGCSA-N 0 3 277.324 2.008 10 5 CEBEHN CN(C)CCNC(=O)c1cccc2nc3ccccc3nc21 ZINC000005957865 170162539 /nfs/dbraw/zinc/16/25/39/170162539.db2.gz WICISKVHCJNLGB-UHFFFAOYSA-N 0 3 294.358 2.074 10 5 CEBEHN C[C@H](N[C@@H]1CCCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC000040672637 174370127 /nfs/dbraw/zinc/37/01/27/174370127.db2.gz CZRRCMZFNJRUGC-NWDGAFQWSA-N 0 3 263.341 2.340 10 5 CEBEHN CCNc1ccc(CN(CC)CCOC)cc1[N+](=O)[O-] ZINC000050816671 520299604 /nfs/dbraw/zinc/29/96/04/520299604.db2.gz SPXGLABJYSQIJW-UHFFFAOYSA-N 0 3 281.356 2.495 10 5 CEBEHN CCNCc1ccc(OC2CCOCC2)c([N+](=O)[O-])c1 ZINC000069288624 520000322 /nfs/dbraw/zinc/00/03/22/520000322.db2.gz FPUJFXMNKUNSIY-UHFFFAOYSA-N 0 3 280.324 2.262 10 5 CEBEHN CCNCc1ccc(O[C@H](C)C(=O)OCC)c([N+](=O)[O-])c1 ZINC000049954722 520001391 /nfs/dbraw/zinc/00/13/91/520001391.db2.gz MCVRJNGHMTXVQU-SNVBAGLBSA-N 0 3 296.323 2.035 10 5 CEBEHN COCC[C@@H](N)c1nc(-c2ccccc2[N+](=O)[O-])c[nH]1 ZINC000052811222 521834903 /nfs/dbraw/zinc/83/49/03/521834903.db2.gz YMFIUHRGWYKDJV-SNVBAGLBSA-N 0 3 276.296 2.021 10 5 CEBEHN COCCOc1cc(CNC(C)C)ccc1[N+](=O)[O-] ZINC000050517192 524040963 /nfs/dbraw/zinc/04/09/63/524040963.db2.gz LBZBSORIUUGRSZ-UHFFFAOYSA-N 0 3 268.313 2.118 10 5 CEBEHN C[C@H](CN1CCCCC1)Nc1ccc([N+](=O)[O-])cc1N ZINC000052840990 524336749 /nfs/dbraw/zinc/33/67/49/524336749.db2.gz HYYOBOVZICDROV-LLVKDONJSA-N 0 3 278.356 2.463 10 5 CEBEHN Cc1cc([N+](=O)[O-])cnc1N[C@H](C)CN1CCCC1 ZINC000052812649 525578031 /nfs/dbraw/zinc/57/80/31/525578031.db2.gz FHGOLDDEUWRRPS-LLVKDONJSA-N 0 3 264.329 2.194 10 5 CEBEHN NC[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000061611754 527225501 /nfs/dbraw/zinc/22/55/01/527225501.db2.gz UKXJRRCCWPNGJF-LBPRGKRZSA-N 0 3 285.303 2.276 10 5 CEBEHN C[C@H]1Oc2c(cc(Br)cc2[N+](=O)[O-])[C@@H]1N ZINC000757175555 574511368 /nfs/dbraw/zinc/51/13/68/574511368.db2.gz ARZYCKCJQLRREG-SPGJFGJESA-N 0 3 273.086 2.138 10 5 CEBEHN CCn1cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1CN ZINC000085810280 179177278 /nfs/dbraw/zinc/17/72/78/179177278.db2.gz KOUYMACSYNJOFJ-UHFFFAOYSA-N 0 3 288.307 2.127 10 5 CEBEHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1CCC[C@H]1O ZINC000090738847 180035061 /nfs/dbraw/zinc/03/50/61/180035061.db2.gz UWKJXUSIYQAAEL-NOZJJQNGSA-N 0 3 284.743 2.499 10 5 CEBEHN CCc1nn(C)c(N[C@H](CC(C)C)CN(C)C)c1[N+](=O)[O-] ZINC000091575899 180197281 /nfs/dbraw/zinc/19/72/81/180197281.db2.gz VWUMHQQNWCRPMZ-LLVKDONJSA-N 0 3 297.403 2.279 10 5 CEBEHN CC(C)c1nn(C)c(NC[C@H]2CCCCN2C)c1[N+](=O)[O-] ZINC000091582890 180198781 /nfs/dbraw/zinc/19/87/81/180198781.db2.gz WOXPDMRLUCBVDB-LLVKDONJSA-N 0 3 295.387 2.348 10 5 CEBEHN Cc1ccc([N+](=O)[O-])cc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091672578 180224207 /nfs/dbraw/zinc/22/42/07/180224207.db2.gz KFUYIMYEZSQUIN-ZIAGYGMSSA-N 0 3 291.351 2.178 10 5 CEBEHN Cc1cc(N[C@H](C)CN2CCCC2)ncc1[N+](=O)[O-] ZINC000092026927 180308551 /nfs/dbraw/zinc/30/85/51/180308551.db2.gz XECFRVVVBIWMLZ-LLVKDONJSA-N 0 3 264.329 2.194 10 5 CEBEHN CCc1nn(-c2ccc([N+](=O)[O-])cc2)c(CC)c1CN ZINC000092319692 180361858 /nfs/dbraw/zinc/36/18/58/180361858.db2.gz ADNINPRMGWCCDY-UHFFFAOYSA-N 0 3 274.324 2.364 10 5 CEBEHN CCCOc1cc(N[C@@H]2CCN(C)C2)ccc1[N+](=O)[O-] ZINC000111048028 186348279 /nfs/dbraw/zinc/34/82/79/186348279.db2.gz NQDPDPIBVLDAQL-GFCCVEGCSA-N 0 3 279.340 2.500 10 5 CEBEHN O=[N+]([O-])c1cc(CNCC2CCOCC2)c(F)cc1F ZINC000111159918 186361783 /nfs/dbraw/zinc/36/17/83/186361783.db2.gz RMMJYETUZXMNJE-UHFFFAOYSA-N 0 3 286.278 2.389 10 5 CEBEHN CNc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H]1CCCOC1 ZINC000111170635 186365770 /nfs/dbraw/zinc/36/57/70/186365770.db2.gz PYRZQXVRJWGAAL-LBPRGKRZSA-N 0 3 293.367 2.495 10 5 CEBEHN CCNC(=O)CCN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000135740949 366471491 /nfs/dbraw/zinc/47/14/91/366471491.db2.gz OUAHXSOXAANERI-ZDUSSCGKSA-N 0 3 279.340 2.162 10 5 CEBEHN O=[N+]([O-])c1ccc2nc(OCC[C@H]3CCC[NH2+]C3)[n-]c2c1 ZINC000094772365 364293647 /nfs/dbraw/zinc/29/36/47/364293647.db2.gz RVSANJLDVGDUCS-SNVBAGLBSA-N 0 3 290.323 2.240 10 5 CEBEHN O=[N+]([O-])c1ccc2[n-]c(OCC[C@H]3CCC[NH2+]C3)nc2c1 ZINC000094772365 364293652 /nfs/dbraw/zinc/29/36/52/364293652.db2.gz RVSANJLDVGDUCS-SNVBAGLBSA-N 0 3 290.323 2.240 10 5 CEBEHN C[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCCO1 ZINC000094773243 364293920 /nfs/dbraw/zinc/29/39/20/364293920.db2.gz IUSNHIKGRWRERN-ZANVPECISA-N 0 3 268.288 2.391 10 5 CEBEHN O=[N+]([O-])c1cccc(F)c1CN1CCN2CCCC[C@@H]2C1 ZINC000172804260 367821419 /nfs/dbraw/zinc/82/14/19/367821419.db2.gz GWBPDEGVHWUCLH-GFCCVEGCSA-N 0 3 293.342 2.404 10 5 CEBEHN Cc1ccc([N+](=O)[O-])c(N[C@H]2CN(C(C)C)C[C@H]2C)n1 ZINC000247027214 371050265 /nfs/dbraw/zinc/05/02/65/371050265.db2.gz NILAAJKOXLDAIE-PWSUYJOCSA-N 0 3 278.356 2.439 10 5 CEBEHN CCN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000389765167 375307355 /nfs/dbraw/zinc/30/73/55/375307355.db2.gz ZSPFAVOQVALZKO-VIFPVBQESA-N 0 3 297.742 2.072 10 5 CEBEHN CC(=O)c1ccc(N2C[C@@H](C)[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000123993891 394835096 /nfs/dbraw/zinc/83/50/96/394835096.db2.gz JPPRMTRGWRBZJU-BMIGLBTASA-N 0 3 291.351 2.184 10 5 CEBEHN O=[N+]([O-])c1cnc(NCCCNCc2cccnc2)s1 ZINC000226780206 153339611 /nfs/dbraw/zinc/33/96/11/153339611.db2.gz YBJMWSMRMJUELD-UHFFFAOYSA-N 0 3 293.352 2.038 10 5 CEBEHN CC(C)(C)NCc1cc([N+](=O)[O-])ccc1OCCCO ZINC000062732030 518764497 /nfs/dbraw/zinc/76/44/97/518764497.db2.gz BBHZFDLXXKLFGO-UHFFFAOYSA-N 0 3 282.340 2.244 10 5 CEBEHN CCNC(C)(C)C(=O)Nc1ccc(CC)c([N+](=O)[O-])c1 ZINC000061292994 519906476 /nfs/dbraw/zinc/90/64/76/519906476.db2.gz KQVDOLRYHUQRCJ-UHFFFAOYSA-N 0 3 279.340 2.484 10 5 CEBEHN CCNCc1ccc([N+](=O)[O-])c(OCCCC(=O)OC)c1 ZINC000050516944 520002551 /nfs/dbraw/zinc/00/25/51/520002551.db2.gz GPTUFUINWGBTGS-UHFFFAOYSA-N 0 3 296.323 2.036 10 5 CEBEHN CN(C)C[C@@H]1CCCN1c1cccc(F)c1[N+](=O)[O-] ZINC000061654782 521845405 /nfs/dbraw/zinc/84/54/05/521845405.db2.gz AAWBGDWLHOEKRU-JTQLQIEISA-N 0 3 267.304 2.264 10 5 CEBEHN O=C(CC[C@@H]1CCCC[NH2+]1)Nc1ccc([O-])cc1[N+](=O)[O-] ZINC000050943287 526548004 /nfs/dbraw/zinc/54/80/04/526548004.db2.gz NHBGEPGTGHZJNG-JTQLQIEISA-N 0 3 293.323 2.161 10 5 CEBEHN O=[N+]([O-])c1cc(CNCCN2CCCCC2)c(F)cc1F ZINC000049575009 527330229 /nfs/dbraw/zinc/33/02/29/527330229.db2.gz FIVCIKBALAGGQC-UHFFFAOYSA-N 0 3 299.321 2.449 10 5 CEBEHN O=[N+]([O-])c1ccccc1CCN1CCC[C@H]1CCCO ZINC000062727304 527398066 /nfs/dbraw/zinc/39/80/66/527398066.db2.gz PINRZDGFZOYPJF-AWEZNQCLSA-N 0 3 278.352 2.374 10 5 CEBEHN O=[N+]([O-])c1cc(CN[C@@H]2CCC[C@@H](O)C2)cs1 ZINC000037563136 361905105 /nfs/dbraw/zinc/90/51/05/361905105.db2.gz INWIJVLCYPUWFE-NXEZZACHSA-N 0 3 256.327 2.049 10 5 CEBEHN CC[C@@H](C[C@H]1COC(=N)N1)c1ccc([N+](=O)[O-])cc1 ZINC000117021474 344287881 /nfs/dbraw/zinc/28/78/81/344287881.db2.gz UDJHNBJNZCJSKT-ONGXEEELSA-N 0 3 263.297 2.192 10 5 CEBEHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000086467292 179297315 /nfs/dbraw/zinc/29/73/15/179297315.db2.gz UFTOCSWVRYIANB-DTWKUNHWSA-N 0 3 297.742 2.071 10 5 CEBEHN O=[N+]([O-])c1ccc(F)cc1CNCC1(O)CCCC1 ZINC000087028809 179382394 /nfs/dbraw/zinc/38/23/94/179382394.db2.gz JPTJQWVTGGGUMN-UHFFFAOYSA-N 0 3 268.288 2.129 10 5 CEBEHN CCc1nn(C)c(N[C@@H](CC(C)C)CN(C)C)c1[N+](=O)[O-] ZINC000091575896 180196953 /nfs/dbraw/zinc/19/69/53/180196953.db2.gz VWUMHQQNWCRPMZ-NSHDSACASA-N 0 3 297.403 2.279 10 5 CEBEHN CCCNc1ccnc(Cn2cc(C)c([N+](=O)[O-])n2)c1 ZINC000092419854 180382715 /nfs/dbraw/zinc/38/27/15/180382715.db2.gz GKZZWAJWJAMYDO-UHFFFAOYSA-N 0 3 275.312 2.365 10 5 CEBEHN [NH3+][C@H]1CCCC[C@H]1[N-]c1nc2c(cccc2[N+](=O)[O-])o1 ZINC000094356867 184788008 /nfs/dbraw/zinc/78/80/08/184788008.db2.gz BLULFXULSHKOEL-DTWKUNHWSA-N 0 3 276.296 2.418 10 5 CEBEHN Cc1c(NC(=O)CNC2CCCC2)cccc1[N+](=O)[O-] ZINC000037386908 173171205 /nfs/dbraw/zinc/17/12/05/173171205.db2.gz UHGFRPSGFVKXLA-UHFFFAOYSA-N 0 3 277.324 2.374 10 5 CEBEHN C[C@H](NCCc1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000040638962 174363155 /nfs/dbraw/zinc/36/31/55/174363155.db2.gz PWYUTAKXYSUAIZ-NSHDSACASA-N 0 3 274.324 2.222 10 5 CEBEHN COc1ccc(N[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000040673517 174372426 /nfs/dbraw/zinc/37/24/26/174372426.db2.gz ZJAVDSRHLIXCLQ-JTQLQIEISA-N 0 3 265.313 2.110 10 5 CEBEHN C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)[C@@H](C)CN1 ZINC000086471085 274364651 /nfs/dbraw/zinc/36/46/51/274364651.db2.gz AENHNHJUAFEMML-MNOVXSKESA-N 0 3 286.335 2.330 10 5 CEBEHN CC(C)(C)N1CCN(c2ccc([N+](=O)[O-])cc2N)CC1 ZINC000052840828 518712343 /nfs/dbraw/zinc/71/23/43/518712343.db2.gz YZRUZNDBBAEFCM-UHFFFAOYSA-N 0 3 278.356 2.098 10 5 CEBEHN CCNCc1cnn(CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000054719330 520018695 /nfs/dbraw/zinc/01/86/95/520018695.db2.gz RDHJCUKLGIXNRM-UHFFFAOYSA-N 0 3 274.324 2.144 10 5 CEBEHN CCN(CC)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C=O)C1 ZINC000062980918 520876966 /nfs/dbraw/zinc/87/69/66/520876966.db2.gz CQNRAMVMZSCZJT-AWEZNQCLSA-N 0 3 291.351 2.328 10 5 CEBEHN CCN(Cc1cc([N+](=O)[O-])ccc1N)[C@@H](C)COC ZINC000050814948 521292604 /nfs/dbraw/zinc/29/26/04/521292604.db2.gz KPPWESZCUSZGQH-JTQLQIEISA-N 0 3 267.329 2.034 10 5 CEBEHN COCCN(Cc1cc([N+](=O)[O-])ccc1N)[C@H](C)C1CC1 ZINC000050816713 523739109 /nfs/dbraw/zinc/73/91/09/523739109.db2.gz BONFKDDYHRGHIK-LLVKDONJSA-N 0 3 293.367 2.424 10 5 CEBEHN COC(=O)[C@H](C)Oc1ccc(CNC(C)C)cc1[N+](=O)[O-] ZINC000049850603 523887561 /nfs/dbraw/zinc/88/75/61/523887561.db2.gz ZUPKZZSIFYUOBD-JTQLQIEISA-N 0 3 296.323 2.033 10 5 CEBEHN C[C@H]1CNC[C@H](C)N1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000069133382 524698092 /nfs/dbraw/zinc/69/80/92/524698092.db2.gz PCXSQBAHKYYLKQ-IUCAKERBSA-N 0 3 297.742 2.071 10 5 CEBEHN Cc1cccc(OCc2ccnc(C(=N)N)c2)c1[N+](=O)[O-] ZINC000068762634 524765658 /nfs/dbraw/zinc/76/56/58/524765658.db2.gz WQQDQNNTHGJRGM-UHFFFAOYSA-N 0 3 286.291 2.161 10 5 CEBEHN Cc1nc(-c2cccc([N+](=O)[O-])c2)ncc1[C@H](C)N ZINC000054962589 526595055 /nfs/dbraw/zinc/59/50/55/526595055.db2.gz QUBVTSILXZMYMF-QMMMGPOBSA-N 0 3 258.281 2.380 10 5 CEBEHN O=[N+]([O-])c1cccc(CN2CCC[C@@H]2CCCO)c1 ZINC000052762347 527387153 /nfs/dbraw/zinc/38/71/53/527387153.db2.gz PLZDKKPLBULXLO-CYBMUJFWSA-N 0 3 264.325 2.332 10 5 CEBEHN C[C@@H](NC1CC(CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000595105036 345742862 /nfs/dbraw/zinc/74/28/62/345742862.db2.gz VVIHSXNBNHWZKH-GRZMOONWSA-N 0 3 250.298 2.016 10 5 CEBEHN CC(C)c1nn(C)c(N[C@H](CN(C)C)C(C)C)c1[N+](=O)[O-] ZINC000091583956 180199751 /nfs/dbraw/zinc/19/97/51/180199751.db2.gz BJMISXJDLCIWLP-LLVKDONJSA-N 0 3 297.403 2.450 10 5 CEBEHN Cc1ccc(NC[C@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000091673503 180224707 /nfs/dbraw/zinc/22/47/07/180224707.db2.gz OMBYAZMQAFFAFH-KGLIPLIRSA-N 0 3 291.351 2.178 10 5 CEBEHN CCN1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000107039870 186156995 /nfs/dbraw/zinc/15/69/95/186156995.db2.gz MKMLREVKZMHGBP-GFCCVEGCSA-N 0 3 279.340 2.500 10 5 CEBEHN CC(C)(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000092461075 180390274 /nfs/dbraw/zinc/39/02/74/180390274.db2.gz BRQAGJYNZQNMFH-UHFFFAOYSA-N 0 3 269.276 2.061 10 5 CEBEHN CC(=O)c1ccc(N2C[C@H](N(C)C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000123994155 187117542 /nfs/dbraw/zinc/11/75/42/187117542.db2.gz JPPRMTRGWRBZJU-BONVTDFDSA-N 0 3 291.351 2.184 10 5 CEBEHN O=[N+]([O-])c1cnn(CCN[C@@H]2CCc3ccccc32)c1 ZINC000090538013 364062686 /nfs/dbraw/zinc/06/26/86/364062686.db2.gz CCOYVSLRTFJURL-CQSZACIVSA-N 0 3 272.308 2.068 10 5 CEBEHN Cn1cc([C@@H]2CCN(Cc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000116317034 365049741 /nfs/dbraw/zinc/04/97/41/365049741.db2.gz FQDCQJCZRTWWSC-GFCCVEGCSA-N 0 3 286.335 2.318 10 5 CEBEHN CCC[C@@H](N)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000119862461 365336094 /nfs/dbraw/zinc/33/60/94/365336094.db2.gz VFQSIXFOCGBJCY-GFCCVEGCSA-N 0 3 279.340 2.074 10 5 CEBEHN COCCNC/C(C)=C/c1csc([N+](=O)[O-])c1 ZINC000092733041 184623892 /nfs/dbraw/zinc/62/38/92/184623892.db2.gz HOKPVLXFQSUULW-WEVVVXLNSA-N 0 3 256.327 2.296 10 5 CEBEHN O=[N+]([O-])c1c2cccnc2ccc1N1CCN2CCC[C@@H]2C1 ZINC000171939455 285079870 /nfs/dbraw/zinc/07/98/70/285079870.db2.gz GZUAIVVXSXBUQX-GFCCVEGCSA-N 0 3 298.346 2.427 10 5 CEBEHN CN(Cc1ccc([N+](=O)[O-])c(NN)c1)CC(C)(C)C ZINC000094778469 184861823 /nfs/dbraw/zinc/86/18/23/184861823.db2.gz CGMGVMCMMKGVSE-UHFFFAOYSA-N 0 3 266.345 2.358 10 5 CEBEHN CCN1CCC[C@H]1CN(C)c1c([N+](=O)[O-])c(C)nn1CC ZINC000192643223 153213574 /nfs/dbraw/zinc/21/35/74/153213574.db2.gz CVFPERBLRGKQDS-LBPRGKRZSA-N 0 3 295.387 2.040 10 5 CEBEHN CC[C@H](C)NCC(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000037386504 173169612 /nfs/dbraw/zinc/16/96/12/173169612.db2.gz DAMQHSMIQXRSBM-QMMMGPOBSA-N 0 3 269.276 2.061 10 5 CEBEHN N=C(N)c1cccnc1Oc1ccc([N+](=O)[O-])cc1F ZINC000038082056 174091162 /nfs/dbraw/zinc/09/11/62/174091162.db2.gz SBLOPJFSMFNIQM-UHFFFAOYSA-N 0 3 276.227 2.205 10 5 CEBEHN CCOc1cccc(N2CCNC(C)(C)C2)c1[N+](=O)[O-] ZINC000134894500 276381434 /nfs/dbraw/zinc/38/14/34/276381434.db2.gz CDNJUNKAUHWDDQ-UHFFFAOYSA-N 0 3 279.340 2.182 10 5 CEBEHN CCNCc1ccnc(-c2ccccc2[N+](=O)[O-])n1 ZINC000054791286 520010249 /nfs/dbraw/zinc/01/02/49/520010249.db2.gz OKABMZYIYXTZHS-UHFFFAOYSA-N 0 3 258.281 2.161 10 5 CEBEHN Cc1cc(CN)nc(-c2cc([N+](=O)[O-])ccc2C)n1 ZINC000054830698 524670535 /nfs/dbraw/zinc/67/05/35/524670535.db2.gz HJLKXXURZLAQIT-UHFFFAOYSA-N 0 3 258.281 2.127 10 5 CEBEHN COc1ccc([N+](=O)[O-])cc1CNCCCSC ZINC000069446622 525461540 /nfs/dbraw/zinc/46/15/40/525461540.db2.gz ZIDSOKNZOPEKLC-UHFFFAOYSA-N 0 3 270.354 2.446 10 5 CEBEHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cccs1 ZINC000182543948 525469848 /nfs/dbraw/zinc/46/98/48/525469848.db2.gz JNYORJNFNHMXIH-SECBINFHSA-N 0 3 266.326 2.204 10 5 CEBEHN N=C(N)c1cc(Oc2cc(F)ccc2[N+](=O)[O-])ccn1 ZINC000061814627 526820690 /nfs/dbraw/zinc/82/06/90/526820690.db2.gz PXXRHAWRKFIRRZ-UHFFFAOYSA-N 0 3 276.227 2.205 10 5 CEBEHN NCc1ccc([N+](=O)[O-])c(OCCc2ccccn2)c1 ZINC000050516303 527257140 /nfs/dbraw/zinc/25/71/40/527257140.db2.gz HEVYXDYQIZVIMK-UHFFFAOYSA-N 0 3 273.292 2.070 10 5 CEBEHN CC(C)CNCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000083395026 178403546 /nfs/dbraw/zinc/40/35/46/178403546.db2.gz DBBMLSILUPQNLO-UHFFFAOYSA-N 0 3 253.258 2.249 10 5 CEBEHN CN1CCC[C@@H](CNc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000052120618 362466363 /nfs/dbraw/zinc/46/63/63/362466363.db2.gz KPSUONFVLVKCAB-JTQLQIEISA-N 0 3 267.304 2.488 10 5 CEBEHN CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](CC)CN1 ZINC000086446080 179294843 /nfs/dbraw/zinc/29/48/43/179294843.db2.gz SYAHTPOQVDRMRS-STQMWFEESA-N 0 3 291.351 2.197 10 5 CEBEHN C[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000086467293 179296868 /nfs/dbraw/zinc/29/68/68/179296868.db2.gz UFTOCSWVRYIANB-IUCAKERBSA-N 0 3 297.742 2.071 10 5 CEBEHN COCC[C@@H](C)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000090359857 179977399 /nfs/dbraw/zinc/97/73/99/179977399.db2.gz IFDYMFPOIVZUAN-SECBINFHSA-N 0 3 283.284 2.018 10 5 CEBEHN CC[C@](C)(O)CNCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000106448984 186117638 /nfs/dbraw/zinc/11/76/38/186117638.db2.gz USTAQYZORGVLBS-LBPRGKRZSA-N 0 3 272.732 2.499 10 5 CEBEHN CN(C)C[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000108952070 364716680 /nfs/dbraw/zinc/71/66/80/364716680.db2.gz RJJUTYQCFIPOKK-NSHDSACASA-N 0 3 299.758 2.015 10 5 CEBEHN CC[C@H](NC[C@H](O)CSC)c1cccc([N+](=O)[O-])c1 ZINC000188233291 369322729 /nfs/dbraw/zinc/32/27/29/369322729.db2.gz DVEBACMLBVEXEF-STQMWFEESA-N 0 3 284.381 2.359 10 5 CEBEHN CCCCOC[C@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000195212499 370115347 /nfs/dbraw/zinc/11/53/47/370115347.db2.gz ZGWVTAZGPOQLAF-IUODEOHRSA-N 0 3 296.367 2.423 10 5 CEBEHN CO[C@@H](C)CNCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000191222605 130204656 /nfs/dbraw/zinc/20/46/56/130204656.db2.gz SQYJYSWPNUFIQJ-QMMMGPOBSA-N 0 3 258.705 2.373 10 5 CEBEHN CCCCOc1cc([N+](=O)[O-])c(CN)cc1OC ZINC000037226359 173046270 /nfs/dbraw/zinc/04/62/70/173046270.db2.gz OJZFHUMWQQAYEK-UHFFFAOYSA-N 0 3 254.286 2.241 10 5 CEBEHN CN1CCC[C@@H](Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000040673496 174372092 /nfs/dbraw/zinc/37/20/92/174372092.db2.gz IXXNPNILWDKIEJ-SNVBAGLBSA-N 0 3 253.277 2.240 10 5 CEBEHN CCCCN(CCO)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050815556 520523829 /nfs/dbraw/zinc/52/38/29/520523829.db2.gz YEDJUASWNXQWFW-UHFFFAOYSA-N 0 3 281.356 2.231 10 5 CEBEHN CC(C)NCc1nccn1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000051005580 519729295 /nfs/dbraw/zinc/72/92/95/519729295.db2.gz KWKLFELYHZQREY-UHFFFAOYSA-N 0 3 292.314 2.477 10 5 CEBEHN CCNCc1ccnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054791297 520009904 /nfs/dbraw/zinc/00/99/04/520009904.db2.gz UHAAWNUMCAIARE-UHFFFAOYSA-N 0 3 258.281 2.161 10 5 CEBEHN CN(C)C[C@@H]1CCCN1c1nc(Cl)ccc1[N+](=O)[O-] ZINC000061654764 521845366 /nfs/dbraw/zinc/84/53/66/521845366.db2.gz FSXSFEMANUAQET-VIFPVBQESA-N 0 3 284.747 2.174 10 5 CEBEHN CC[C@@H](C)N1CCN(c2ccc(CO)cc2[N+](=O)[O-])CC1 ZINC000055067926 522135434 /nfs/dbraw/zinc/13/54/34/522135434.db2.gz LWXIOBIFHDKMCO-GFCCVEGCSA-N 0 3 293.367 2.008 10 5 CEBEHN CN[C@H](C)c1cnn(CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000054720881 522453201 /nfs/dbraw/zinc/45/32/01/522453201.db2.gz FDTCGBDPUSKZJZ-LLVKDONJSA-N 0 3 274.324 2.314 10 5 CEBEHN COCCNCc1ccc(OCC(C)C)c([N+](=O)[O-])c1 ZINC000062730713 523953339 /nfs/dbraw/zinc/95/33/39/523953339.db2.gz GDHYDIADBUNDAF-UHFFFAOYSA-N 0 3 282.340 2.366 10 5 CEBEHN Cc1cc([N+](=O)[O-])cnc1N[C@H](CN(C)C)C(C)C ZINC000052812668 525578747 /nfs/dbraw/zinc/57/87/47/525578747.db2.gz JYHHRRICJRWMKS-GFCCVEGCSA-N 0 3 266.345 2.296 10 5 CEBEHN N=C(N)c1cc(Oc2cccc([N+](=O)[O-])c2)ccn1 ZINC000061814622 526822066 /nfs/dbraw/zinc/82/20/66/526822066.db2.gz XAJYYECAAUKIAX-UHFFFAOYSA-N 0 3 258.237 2.066 10 5 CEBEHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H]1CN2CCC1CC2 ZINC000050443299 527334912 /nfs/dbraw/zinc/33/49/12/527334912.db2.gz FLVDKNPSDRPUAH-ZDUSSCGKSA-N 0 3 295.770 2.432 10 5 CEBEHN COC[C@@H](C)NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000072714104 641961855 /nfs/dbraw/zinc/96/18/55/641961855.db2.gz LWJMFRZMBDQULN-MRVPVSSYSA-N 0 3 258.705 2.373 10 5 CEBEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000086446079 179294756 /nfs/dbraw/zinc/29/47/56/179294756.db2.gz SYAHTPOQVDRMRS-QWHCGFSZSA-N 0 3 291.351 2.197 10 5 CEBEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000086447600 179295535 /nfs/dbraw/zinc/29/55/35/179295535.db2.gz FIPAVUYTXHEZGU-VHSXEESVSA-N 0 3 297.380 2.259 10 5 CEBEHN CCCc1nn(C)c(NC[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000091583647 180199811 /nfs/dbraw/zinc/19/98/11/180199811.db2.gz IGSGXCKWYLZHIW-NSHDSACASA-N 0 3 295.387 2.035 10 5 CEBEHN COc1ccc([N+](=O)[O-])cc1CNC[C@H](O)C(C)(C)C ZINC000324433957 376840437 /nfs/dbraw/zinc/84/04/37/376840437.db2.gz CESXAABXBAPIEP-ZDUSSCGKSA-N 0 3 282.340 2.100 10 5 CEBEHN CC[C@@H]1CN2CCC[C@H]2CN1c1ncc([N+](=O)[O-])s1 ZINC000249283696 394553048 /nfs/dbraw/zinc/55/30/48/394553048.db2.gz NLDZLCPSOAMJEO-ZJUUUORDSA-N 0 3 282.369 2.114 10 5 CEBEHN Cc1cccc(N2CCN3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000249285308 394553437 /nfs/dbraw/zinc/55/34/37/394553437.db2.gz PEBZZERRTONWBQ-LBPRGKRZSA-N 0 3 261.325 2.188 10 5 CEBEHN O=[N+]([O-])c1ccccc1-c1noc([C@@H]2CCCN2)n1 ZINC000044731997 175241067 /nfs/dbraw/zinc/24/10/67/175241067.db2.gz YJJZYGOVWANURT-VIFPVBQESA-N 0 3 260.253 2.069 10 5 CEBEHN CCCN[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C1=O ZINC000071036331 176025392 /nfs/dbraw/zinc/02/53/92/176025392.db2.gz JKNRWBXRZBTMNJ-GFCCVEGCSA-N 0 3 277.324 2.008 10 5 CEBEHN CC(C)C[C@H](CN(C)C)Nc1ccc([N+](=O)[O-])cn1 ZINC000049558084 519345158 /nfs/dbraw/zinc/34/51/58/519345158.db2.gz PBKSENRKMBEEMX-LLVKDONJSA-N 0 3 266.345 2.378 10 5 CEBEHN CNCc1cc(C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000054830956 522105141 /nfs/dbraw/zinc/10/51/41/522105141.db2.gz HPTCDCONKLEQTR-UHFFFAOYSA-N 0 3 258.281 2.080 10 5 CEBEHN CNCc1ccc([N+](=O)[O-])c(OC[C@@H]2CCCCO2)c1 ZINC000050516659 522125080 /nfs/dbraw/zinc/12/50/80/522125080.db2.gz XRMXXEXYXCSABA-LBPRGKRZSA-N 0 3 280.324 2.262 10 5 CEBEHN CNc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1CN(C)C ZINC000061653217 522645274 /nfs/dbraw/zinc/64/52/74/522645274.db2.gz XWAZEHPQNMEHSZ-CQSZACIVSA-N 0 3 292.383 2.163 10 5 CEBEHN CC[C@H](C)N1CCN(c2ccc(CO)cc2[N+](=O)[O-])CC1 ZINC000055067928 523961030 /nfs/dbraw/zinc/96/10/30/523961030.db2.gz LWXIOBIFHDKMCO-LBPRGKRZSA-N 0 3 293.367 2.008 10 5 CEBEHN Cc1cc(NC(=O)[C@@H]2CCCCN2)c([N+](=O)[O-])cc1C ZINC000050439811 525216162 /nfs/dbraw/zinc/21/61/62/525216162.db2.gz VBSIAEKLZUMEBI-NSHDSACASA-N 0 3 277.324 2.292 10 5 CEBEHN Cc1cnc(CNCCc2ccccc2[N+](=O)[O-])cn1 ZINC000062726610 526039781 /nfs/dbraw/zinc/03/97/81/526039781.db2.gz URBWEKAYUNRPKF-UHFFFAOYSA-N 0 3 272.308 2.026 10 5 CEBEHN O=C(CC[C@H]1CCCC[NH2+]1)Nc1ccc([O-])cc1[N+](=O)[O-] ZINC000050943290 526565820 /nfs/dbraw/zinc/56/58/20/526565820.db2.gz NHBGEPGTGHZJNG-SNVBAGLBSA-N 0 3 293.323 2.161 10 5 CEBEHN Cc1c(CNC[C@H](O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000311723364 344735742 /nfs/dbraw/zinc/73/57/42/344735742.db2.gz MQIKJHPMUDORPY-ZDUSSCGKSA-N 0 3 266.341 2.400 10 5 CEBEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000086447413 179295677 /nfs/dbraw/zinc/29/56/77/179295677.db2.gz QULGKJIUECIFNH-WDEREUQCSA-N 0 3 297.380 2.259 10 5 CEBEHN CCN1CCC[C@H]1CNc1c([N+](=O)[O-])c(C(C)C)nn1C ZINC000091576386 180197632 /nfs/dbraw/zinc/19/76/32/180197632.db2.gz DUXRFWKHWMROMD-NSHDSACASA-N 0 3 295.387 2.348 10 5 CEBEHN CN(C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000168631207 367357378 /nfs/dbraw/zinc/35/73/78/367357378.db2.gz QKXXOJZVLDMPML-JTQLQIEISA-N 0 3 297.742 2.024 10 5 CEBEHN COCCN1CCC(Nc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302825791 379460528 /nfs/dbraw/zinc/46/05/28/379460528.db2.gz ZHXQBQSEQVGSNS-UHFFFAOYSA-N 0 3 297.330 2.257 10 5 CEBEHN CCN1CCC[C@H]1CNc1ccc(OC)cc1[N+](=O)[O-] ZINC000021049989 171294921 /nfs/dbraw/zinc/29/49/21/171294921.db2.gz VOQKBKJDWSZLSX-NSHDSACASA-N 0 3 279.340 2.500 10 5 CEBEHN O=C(CNC1CCCC1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000037386859 173169938 /nfs/dbraw/zinc/16/99/38/173169938.db2.gz UAVYYZJSSFFERJ-UHFFFAOYSA-N 0 3 281.287 2.205 10 5 CEBEHN CCNC(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000061289112 519906431 /nfs/dbraw/zinc/90/64/31/519906431.db2.gz KFGQIJVTVZGWOZ-UHFFFAOYSA-N 0 3 269.276 2.061 10 5 CEBEHN CN[C@@H](C)c1cnn(Cc2ccccc2[N+](=O)[O-])c1 ZINC000054720778 522340243 /nfs/dbraw/zinc/34/02/43/522340243.db2.gz IRHSSHDYTZUFGS-JTQLQIEISA-N 0 3 260.297 2.120 10 5 CEBEHN Cc1cnc(CNCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000061321156 526041097 /nfs/dbraw/zinc/04/10/97/526041097.db2.gz CMSKSJQICLXOEF-UHFFFAOYSA-N 0 3 272.308 2.026 10 5 CEBEHN Cc1ccc([N+](=O)[O-])c(Oc2ccnc(C(=N)N)c2)c1 ZINC000061814624 526066054 /nfs/dbraw/zinc/06/60/54/526066054.db2.gz IFAIMLAXFXGHSQ-UHFFFAOYSA-N 0 3 272.264 2.375 10 5 CEBEHN O=[N+]([O-])c1ccc(-c2ncc(CNC3CC3)cn2)cc1 ZINC000054856262 527342621 /nfs/dbraw/zinc/34/26/21/527342621.db2.gz FOHUSYQTSRFLKO-UHFFFAOYSA-N 0 3 270.292 2.304 10 5 CEBEHN Cc1nc2ccc(OCCN(C)C)c([N+](=O)[O-])c2s1 ZINC000085554739 179092887 /nfs/dbraw/zinc/09/28/87/179092887.db2.gz HMRAGUOXHORXMD-UHFFFAOYSA-N 0 3 281.337 2.453 10 5 CEBEHN NCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000085810455 179177907 /nfs/dbraw/zinc/17/79/07/179177907.db2.gz XOFMLKSRITWNLY-UHFFFAOYSA-N 0 3 277.305 2.367 10 5 CEBEHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1CCC[C@@H]1O ZINC000090738844 180034958 /nfs/dbraw/zinc/03/49/58/180034958.db2.gz UWKJXUSIYQAAEL-ZANVPECISA-N 0 3 284.743 2.499 10 5 CEBEHN NCc1ccc([N+](=O)[O-])cc1C(=O)c1cccc(F)c1 ZINC000016158166 361484534 /nfs/dbraw/zinc/48/45/34/361484534.db2.gz NFXXUHCKUWWZNX-UHFFFAOYSA-N 0 3 274.251 2.424 10 5 CEBEHN CCN1CC[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000389252104 375302018 /nfs/dbraw/zinc/30/20/18/375302018.db2.gz BRPQPCCAASYPPZ-SECBINFHSA-N 0 3 270.720 2.149 10 5 CEBEHN Cc1cccc([N+](=O)[O-])c1N1CCN2CCC[C@H]2C1 ZINC000246209078 394511901 /nfs/dbraw/zinc/51/19/01/394511901.db2.gz WFNLCTPRHAURLE-LBPRGKRZSA-N 0 3 261.325 2.188 10 5 CEBEHN C[C@H]1CN2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000123018810 394821841 /nfs/dbraw/zinc/82/18/41/394821841.db2.gz AIYGVOZUTGLETC-VHSXEESVSA-N 0 3 296.758 2.316 10 5 CEBEHN CCN1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000040503170 174300234 /nfs/dbraw/zinc/30/02/34/174300234.db2.gz MKYKQCQFPXIIAM-SECBINFHSA-N 0 3 291.311 2.027 10 5 CEBEHN CO[C@@H]1CN[C@@H](c2nc(-c3ccccc3[N+](=O)[O-])c[nH]2)C1 ZINC000040637808 174361872 /nfs/dbraw/zinc/36/18/72/174361872.db2.gz LGIMVDQQRKAAAV-GXSJLCMTSA-N 0 3 288.307 2.034 10 5 CEBEHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCN1 ZINC000052783450 274363715 /nfs/dbraw/zinc/36/37/15/274363715.db2.gz HSIHFYKKRUPLFF-MRVPVSSYSA-N 0 3 289.257 2.412 10 5 CEBEHN CC(C)NCc1ccc([N+](=O)[O-])c(O[C@H]2CCC[C@H]2O)c1 ZINC000050517163 519727199 /nfs/dbraw/zinc/72/71/99/519727199.db2.gz HLAORYRQLNRIPX-KGLIPLIRSA-N 0 3 294.351 2.385 10 5 CEBEHN CCNCc1nccn1Cc1cccc([N+](=O)[O-])c1C ZINC000051004799 520023464 /nfs/dbraw/zinc/02/34/64/520023464.db2.gz ZUMCZPBYBYQXBD-UHFFFAOYSA-N 0 3 274.324 2.258 10 5 CEBEHN COCC[C@@H](N)c1nc(-c2cccc([N+](=O)[O-])c2)c(C)[nH]1 ZINC000052811209 521830828 /nfs/dbraw/zinc/83/08/28/521830828.db2.gz LORCGQANIUJIPI-GFCCVEGCSA-N 0 3 290.323 2.330 10 5 CEBEHN CC[C@@H](C)N1CCN(Cc2cc([N+](=O)[O-])ccc2N)CC1 ZINC000055071129 522127125 /nfs/dbraw/zinc/12/71/25/522127125.db2.gz KKNYJCARGKAKCG-GFCCVEGCSA-N 0 3 292.383 2.093 10 5 CEBEHN CNCc1ccnc(-c2cc([N+](=O)[O-])ccc2C)n1 ZINC000054791217 522138929 /nfs/dbraw/zinc/13/89/29/522138929.db2.gz NZWVABJRESMURL-UHFFFAOYSA-N 0 3 258.281 2.080 10 5 CEBEHN Cc1ccc([N+](=O)[O-])cc1OCc1ccnc(C(=N)N)c1 ZINC000068762632 526084441 /nfs/dbraw/zinc/08/44/41/526084441.db2.gz VKVSOLBISLTSMQ-UHFFFAOYSA-N 0 3 286.291 2.161 10 5 CEBEHN O=[N+]([O-])c1ccccc1CCN1CCCC[C@H]1CCO ZINC000062727285 527397021 /nfs/dbraw/zinc/39/70/21/527397021.db2.gz KFIZMQDQXTUMRE-AWEZNQCLSA-N 0 3 278.352 2.374 10 5 CEBEHN O=[N+]([O-])c1cc(CN[C@H]2CCC[C@H](O)C2)cs1 ZINC000037563135 361905039 /nfs/dbraw/zinc/90/50/39/361905039.db2.gz INWIJVLCYPUWFE-UWVGGRQHSA-N 0 3 256.327 2.049 10 5 CEBEHN NCc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000085810082 179177883 /nfs/dbraw/zinc/17/78/83/179177883.db2.gz NLFMSIIMKALBTA-UHFFFAOYSA-N 0 3 285.303 2.235 10 5 CEBEHN CCNCc1ccn(-c2c(C)cccc2[N+](=O)[O-])n1 ZINC000089059896 179695835 /nfs/dbraw/zinc/69/58/35/179695835.db2.gz CIBTYQZEMIMSAW-UHFFFAOYSA-N 0 3 260.297 2.198 10 5 CEBEHN CC(C)c1nn(C)c(N[C@H](C)CN2CCCC2)c1[N+](=O)[O-] ZINC000091581853 180198785 /nfs/dbraw/zinc/19/87/85/180198785.db2.gz DGKOXVWXRWKAFQ-LLVKDONJSA-N 0 3 295.387 2.348 10 5 CEBEHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C)N1CCCCC1 ZINC000091549796 180188880 /nfs/dbraw/zinc/18/88/80/180188880.db2.gz CVKBUUMMGZIRHR-LLVKDONJSA-N 0 3 295.387 2.406 10 5 CEBEHN Cc1ccc(NC[C@@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000091673501 180224536 /nfs/dbraw/zinc/22/45/36/180224536.db2.gz OMBYAZMQAFFAFH-ZIAGYGMSSA-N 0 3 291.351 2.178 10 5 CEBEHN C[C@@H](NCCCC(=O)NC1CC1)c1ccccc1[N+](=O)[O-] ZINC000091957339 180292796 /nfs/dbraw/zinc/29/27/96/180292796.db2.gz GOBFJTPYFAWWBS-LLVKDONJSA-N 0 3 291.351 2.304 10 5 CEBEHN CCNc1ccnc(Cn2cc(Cl)c([N+](=O)[O-])n2)c1 ZINC000092419849 180382106 /nfs/dbraw/zinc/38/21/06/180382106.db2.gz JZMVUQKPPJKMFC-UHFFFAOYSA-N 0 3 281.703 2.320 10 5 CEBEHN Cc1cc(NC(=O)CNC(C)(C)C)ccc1[N+](=O)[O-] ZINC000092461077 180390314 /nfs/dbraw/zinc/39/03/14/180390314.db2.gz KPLIWYDFONTBKT-UHFFFAOYSA-N 0 3 265.313 2.230 10 5 CEBEHN CC[C@@H]1CN(Cc2ccc(NC)c([N+](=O)[O-])c2)CCN1C ZINC000110743018 186318586 /nfs/dbraw/zinc/31/85/86/186318586.db2.gz OLGCDKQUZUQOQH-CYBMUJFWSA-N 0 3 292.383 2.163 10 5 CEBEHN O=[N+]([O-])c1cc(CN[C@H]2CCCCC[C@H]2O)cs1 ZINC000135662010 366465590 /nfs/dbraw/zinc/46/55/90/366465590.db2.gz DHWMEXGRALPPQQ-WDEREUQCSA-N 0 3 270.354 2.440 10 5 CEBEHN CCCCOC[C@@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000195212510 370115926 /nfs/dbraw/zinc/11/59/26/370115926.db2.gz ZGWVTAZGPOQLAF-DOMZBBRYSA-N 0 3 296.367 2.423 10 5 CEBEHN CC[C@H]1CN2CCC[C@H]2CN1c1ncc([N+](=O)[O-])s1 ZINC000249283693 371310724 /nfs/dbraw/zinc/31/07/24/371310724.db2.gz NLDZLCPSOAMJEO-UWVGGRQHSA-N 0 3 282.369 2.114 10 5 CEBEHN CC(C)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000037386060 173168662 /nfs/dbraw/zinc/16/86/62/173168662.db2.gz QRFZQVQCZZEFBO-UHFFFAOYSA-N 0 3 271.704 2.185 10 5 CEBEHN CCCN[C@H]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C1=O ZINC000071036332 176025169 /nfs/dbraw/zinc/02/51/69/176025169.db2.gz JKNRWBXRZBTMNJ-LBPRGKRZSA-N 0 3 277.324 2.008 10 5 CEBEHN CN1CCC(Sc2ccc([N+](=O)[O-])cn2)CC1 ZINC000075321196 176687940 /nfs/dbraw/zinc/68/79/40/176687940.db2.gz CRBUELRBDCPIKD-UHFFFAOYSA-N 0 3 253.327 2.176 10 5 CEBEHN C[C@@H]1CNCCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000054374750 274376424 /nfs/dbraw/zinc/37/64/24/274376424.db2.gz SZDMFUWZPQKVAU-MRVPVSSYSA-N 0 3 255.705 2.046 10 5 CEBEHN Cc1cccc(N2CCN3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000188377391 281229123 /nfs/dbraw/zinc/22/91/23/281229123.db2.gz PEBZZERRTONWBQ-GFCCVEGCSA-N 0 3 261.325 2.188 10 5 CEBEHN CC(C)N1CC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000052926259 519688024 /nfs/dbraw/zinc/68/80/24/519688024.db2.gz YZUIXQVCRWREEV-CYBMUJFWSA-N 0 3 263.341 2.167 10 5 CEBEHN CC(C)[C@H](CN(C)C)NCc1csc([N+](=O)[O-])c1 ZINC000049199352 519814565 /nfs/dbraw/zinc/81/45/65/519814565.db2.gz KTIUGBQUSJRUFT-NSHDSACASA-N 0 3 271.386 2.332 10 5 CEBEHN CCNCc1cc(C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000054831190 519987149 /nfs/dbraw/zinc/98/71/49/519987149.db2.gz PNJDYGNHKGKCCX-UHFFFAOYSA-N 0 3 272.308 2.470 10 5 CEBEHN CCNCc1ccc([N+](=O)[O-])c(O[C@@H]2CCCC[C@H]2O)c1 ZINC000050516972 520001137 /nfs/dbraw/zinc/00/11/37/520001137.db2.gz IRNGPNSHKULEJN-ZIAGYGMSSA-N 0 3 294.351 2.387 10 5 CEBEHN CCNCc1ccc([N+](=O)[O-])c(O[C@@H](C)C(=O)OCC)c1 ZINC000050516920 520002639 /nfs/dbraw/zinc/00/26/39/520002639.db2.gz BIIBZSAMBGPHDX-JTQLQIEISA-N 0 3 296.323 2.035 10 5 CEBEHN CNCc1cc(C)nc(-c2ccccc2[N+](=O)[O-])n1 ZINC000054830942 522102579 /nfs/dbraw/zinc/10/25/79/522102579.db2.gz BUPIDZNDZMRBHH-UHFFFAOYSA-N 0 3 258.281 2.080 10 5 CEBEHN CC[C@@H](C)N1CCN(Cc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000055071123 522126863 /nfs/dbraw/zinc/12/68/63/522126863.db2.gz YLQNBVFHVUOVOM-GFCCVEGCSA-N 0 3 292.383 2.093 10 5 CEBEHN CN[C@@H](C)c1cnn(Cc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000054720816 522339859 /nfs/dbraw/zinc/33/98/59/522339859.db2.gz NBZFNZSRPBEJST-VIFPVBQESA-N 0 3 278.287 2.259 10 5 CEBEHN C[NH+]1CCC(CNc2ccc([O-])cc2[N+](=O)[O-])CC1 ZINC000054242721 523764928 /nfs/dbraw/zinc/76/49/28/523764928.db2.gz RWKUXOAUITVCGO-UHFFFAOYSA-N 0 3 265.313 2.054 10 5 CEBEHN Cc1ccc([N+](=O)[O-])c(OCc2ccnc(C(=N)N)c2)c1 ZINC000068762612 526063893 /nfs/dbraw/zinc/06/38/93/526063893.db2.gz TVDGOHWEZYPURH-UHFFFAOYSA-N 0 3 286.291 2.161 10 5 CEBEHN O=C(CCC1CC[NH2+]CC1)Nc1ccc([O-])cc1[N+](=O)[O-] ZINC000050943284 526412245 /nfs/dbraw/zinc/41/22/45/526412245.db2.gz ZOABSCOBWIYYIW-UHFFFAOYSA-N 0 3 293.323 2.019 10 5 CEBEHN CN1CC([N+](=O)[O-])[C@H](c2ccc(Cl)c(F)c2)C1 ZINC000584647972 344972928 /nfs/dbraw/zinc/97/29/28/344972928.db2.gz NAXIXOOWVLBKBO-GZMMTYOYSA-N 0 3 258.680 2.153 10 5 CEBEHN Cc1cnn(CCN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178223694 232369510 /nfs/dbraw/zinc/36/95/10/232369510.db2.gz RNCRCBAHEMQMNS-GFCCVEGCSA-N 0 3 274.324 2.451 10 5 CEBEHN COc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCCC[C@H]1O ZINC000085986660 179212107 /nfs/dbraw/zinc/21/21/07/179212107.db2.gz XDQRQWTVGXTSEB-SMDDNHRTSA-N 0 3 294.351 2.244 10 5 CEBEHN Cc1cnc(N[C@H](C)CN2CCCC2)c([N+](=O)[O-])c1 ZINC000090692160 180024269 /nfs/dbraw/zinc/02/42/69/180024269.db2.gz GREILIFGPHQSRV-LLVKDONJSA-N 0 3 264.329 2.194 10 5 CEBEHN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)CN1CCCC1 ZINC000091550282 180188626 /nfs/dbraw/zinc/18/86/26/180188626.db2.gz VULGDCDHGBDHGL-JTQLQIEISA-N 0 3 281.360 2.016 10 5 CEBEHN Cc1cc(N[C@@H](C)CN2CCCC2)ncc1[N+](=O)[O-] ZINC000092026926 180308346 /nfs/dbraw/zinc/30/83/46/180308346.db2.gz XECFRVVVBIWMLZ-NSHDSACASA-N 0 3 264.329 2.194 10 5 CEBEHN CNc1ccnc(Cn2ncc3ccc([N+](=O)[O-])cc32)c1 ZINC000092419559 180382085 /nfs/dbraw/zinc/38/20/85/180382085.db2.gz WBJPQAYHFFBBBQ-UHFFFAOYSA-N 0 3 283.291 2.430 10 5 CEBEHN Cc1nn(C)c(Oc2cc(F)c([N+](=O)[O-])cc2F)c1CN ZINC000110624334 186307072 /nfs/dbraw/zinc/30/70/72/186307072.db2.gz ZZVRXXXUANLQBJ-UHFFFAOYSA-N 0 3 298.249 2.166 10 5 CEBEHN CC(C)N1C[C@H](Nc2ncc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000192485226 369819202 /nfs/dbraw/zinc/81/92/02/369819202.db2.gz DSFMFPLZUNBNEI-IUCAKERBSA-N 0 3 270.358 2.192 10 5 CEBEHN O=[N+]([O-])c1ccc(CN[C@H]2CCCCC[C@@H]2O)cc1 ZINC000037894591 285115750 /nfs/dbraw/zinc/11/57/50/285115750.db2.gz RYULCFJESZKDCB-KBPBESRZSA-N 0 3 264.325 2.378 10 5 CEBEHN CCCNCc1cc([N+](=O)[O-])ccc1O[C@@H](C)[C@H](C)O ZINC000094652953 184835224 /nfs/dbraw/zinc/83/52/24/184835224.db2.gz BUFQARVGXCRCQK-QWRGUYRKSA-N 0 3 282.340 2.243 10 5 CEBEHN CC(C)CNCc1cc([N+](=O)[O-])ccc1O[C@H](C)[C@@H](C)O ZINC000094653448 184835841 /nfs/dbraw/zinc/83/58/41/184835841.db2.gz SNHUTEJJXYHOKG-VXGBXAGGSA-N 0 3 296.367 2.489 10 5 CEBEHN CC(=O)c1cc(N2C[C@@H](C)[C@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000252803198 131138869 /nfs/dbraw/zinc/13/88/69/131138869.db2.gz AUHYGCHGFHUSPK-MEBBXXQBSA-N 0 3 291.351 2.184 10 5 CEBEHN CCN1CCC[C@@H]1CN(C)c1c([N+](=O)[O-])c(C)nn1CC ZINC000192643242 153214132 /nfs/dbraw/zinc/21/41/32/153214132.db2.gz CVFPERBLRGKQDS-GFCCVEGCSA-N 0 3 295.387 2.040 10 5 CEBEHN CCCN[C@H]1CCN(c2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000071036928 176025805 /nfs/dbraw/zinc/02/58/05/176025805.db2.gz COXBFXFSBPTJAZ-NSHDSACASA-N 0 3 297.742 2.353 10 5 CEBEHN CC(C)C[C@H](CN(C)C)Nc1ccncc1[N+](=O)[O-] ZINC000049558288 519344446 /nfs/dbraw/zinc/34/44/46/519344446.db2.gz MVDBPGONMNFGDR-LLVKDONJSA-N 0 3 266.345 2.378 10 5 CEBEHN CNCc1ccc([N+](=O)[O-])c(OCc2cscn2)c1 ZINC000050516685 522125196 /nfs/dbraw/zinc/12/51/96/522125196.db2.gz JKFIDQJYPDPVTA-UHFFFAOYSA-N 0 3 279.321 2.350 10 5 CEBEHN CN(Cc1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000050813272 523263780 /nfs/dbraw/zinc/26/37/80/523263780.db2.gz ZIGNTJKVHWTHOY-SNVBAGLBSA-N 0 3 267.354 2.114 10 5 CEBEHN C[C@H](CNc1ccc([N+](=O)[O-])cc1N)N1CCCCC1 ZINC000052841358 524507031 /nfs/dbraw/zinc/50/70/31/524507031.db2.gz WIFZGADCNSFUKW-LLVKDONJSA-N 0 3 278.356 2.463 10 5 CEBEHN NCc1ccc([N+](=O)[O-])c(OCc2nccn2C(F)F)c1 ZINC000050516230 527258774 /nfs/dbraw/zinc/25/87/74/527258774.db2.gz ZTAYVNLXUPYYLP-UHFFFAOYSA-N 0 3 298.249 2.224 10 5 CEBEHN NCc1ccc([N+](=O)[O-])c(OCc2cscn2)c1 ZINC000050516206 527258977 /nfs/dbraw/zinc/25/89/77/527258977.db2.gz TYQGPFUHBCKJIL-UHFFFAOYSA-N 0 3 265.294 2.089 10 5 CEBEHN CC[C@H](NCC[S@@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000131413666 652423861 /nfs/dbraw/zinc/42/38/61/652423861.db2.gz XYTNPBFPVFGOEA-SGTLLEGYSA-N 0 3 270.354 2.014 10 5 CEBEHN COc1ccc(CN2CCC[C@@H]2CCCO)cc1[N+](=O)[O-] ZINC000052762803 362473905 /nfs/dbraw/zinc/47/39/05/362473905.db2.gz MGUBGRHOGIPKNC-CYBMUJFWSA-N 0 3 294.351 2.340 10 5 CEBEHN CC1CCN(Cc2ccc([N+](=O)[O-])c(NN)c2)CC1 ZINC000094778527 184861673 /nfs/dbraw/zinc/86/16/73/184861673.db2.gz FTSSHMLPLIUNQI-UHFFFAOYSA-N 0 3 264.329 2.112 10 5 CEBEHN C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCN1 ZINC000052783451 394558013 /nfs/dbraw/zinc/55/80/13/394558013.db2.gz HSIHFYKKRUPLFF-QMMMGPOBSA-N 0 3 289.257 2.412 10 5 CEBEHN C[C@H]1CNCCN1c1nc2cc([N+](=O)[O-])ccc2s1 ZINC000095069580 394672169 /nfs/dbraw/zinc/67/21/69/394672169.db2.gz DIZBAGBIJBLFNT-QMMMGPOBSA-N 0 3 278.337 2.003 10 5 CEBEHN CC[C@H](C)NCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000037386416 173169520 /nfs/dbraw/zinc/16/95/20/173169520.db2.gz YLJRULRZDRAQPH-QMMMGPOBSA-N 0 3 269.276 2.061 10 5 CEBEHN O=C1[C@@H](NC2CC2)CCN1c1cc([N+](=O)[O-])ccc1Cl ZINC000071036916 176026224 /nfs/dbraw/zinc/02/62/24/176026224.db2.gz GRQQTUCNVNWJED-NSHDSACASA-N 0 3 295.726 2.106 10 5 CEBEHN CC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](C)[C@H](N(C)C)C1 ZINC000251929463 278244551 /nfs/dbraw/zinc/24/45/51/278244551.db2.gz YPZNOSVYIPWOQA-MEBBXXQBSA-N 0 3 291.351 2.184 10 5 CEBEHN COc1cc([N+](=O)[O-])ccc1Oc1ccnc(C(=N)N)c1 ZINC000061814660 522985798 /nfs/dbraw/zinc/98/57/98/522985798.db2.gz ICFDASQYILJRDS-UHFFFAOYSA-N 0 3 288.263 2.075 10 5 CEBEHN Cc1cc(NC(=O)[C@@H](N)C(C)C)c([N+](=O)[O-])cc1C ZINC000050439788 525213471 /nfs/dbraw/zinc/21/34/71/525213471.db2.gz YUVJXWWYDXCSFY-LBPRGKRZSA-N 0 3 265.313 2.133 10 5 CEBEHN Cc1ccc(Oc2ccnc(C(=N)N)c2)c([N+](=O)[O-])c1 ZINC000061814646 525478638 /nfs/dbraw/zinc/47/86/38/525478638.db2.gz VGUZKHIGXUTPHB-UHFFFAOYSA-N 0 3 272.264 2.375 10 5 CEBEHN NCc1cc([N+](=O)[O-])ccc1OCCc1cccnc1 ZINC000063221666 527250319 /nfs/dbraw/zinc/25/03/19/527250319.db2.gz PHBLAMNCBLKWLK-UHFFFAOYSA-N 0 3 273.292 2.070 10 5 CEBEHN NCc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000063190899 527261003 /nfs/dbraw/zinc/26/10/03/527261003.db2.gz SKZQHURDWOKEDX-UHFFFAOYSA-N 0 3 271.276 2.306 10 5 CEBEHN CCCN[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000071038943 535185783 /nfs/dbraw/zinc/18/57/83/535185783.db2.gz MPBIZLJXOTUVBQ-CYBMUJFWSA-N 0 3 277.324 2.090 10 5 CEBEHN CC(C)Oc1cc(OCCN(C)C)ccc1[N+](=O)[O-] ZINC000117652573 344289938 /nfs/dbraw/zinc/28/99/38/344289938.db2.gz KFJIVAAPINALNH-UHFFFAOYSA-N 0 3 268.313 2.322 10 5 CEBEHN O=[N+]([O-])c1cc2c[nH]nc2cc1OCCN1CCCCC1 ZINC000584617943 344966491 /nfs/dbraw/zinc/96/64/91/344966491.db2.gz VJFBWAVCXKCUPQ-UHFFFAOYSA-N 0 3 290.323 2.336 10 5 CEBEHN CC[C@H](NC1CC(CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000595100893 345742055 /nfs/dbraw/zinc/74/20/55/345742055.db2.gz BYXIIAONZWWIBR-OVGLSYRBSA-N 0 3 264.325 2.406 10 5 CEBEHN CC[C@@H](NC1CC(CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000595100892 345742281 /nfs/dbraw/zinc/74/22/81/345742281.db2.gz BYXIIAONZWWIBR-MMWSSPAHSA-N 0 3 264.325 2.406 10 5 CEBEHN CC1CCC(O)(CNCc2ccc([N+](=O)[O-])o2)CC1 ZINC000087044029 179388277 /nfs/dbraw/zinc/38/82/77/179388277.db2.gz DCKIOHXAPFHFNG-UHFFFAOYSA-N 0 3 268.313 2.219 10 5 CEBEHN C[C@H](NC[C@H](C)[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000090841843 180043286 /nfs/dbraw/zinc/04/32/86/180043286.db2.gz DLKOAVDWTAVKIC-LXIMFEHMSA-N 0 3 270.354 2.012 10 5 CEBEHN C[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)[S@](C)=O ZINC000090841844 180043903 /nfs/dbraw/zinc/04/39/03/180043903.db2.gz DLKOAVDWTAVKIC-AUSHCKSDSA-N 0 3 270.354 2.012 10 5 CEBEHN Cc1cc(NC[C@@H](C)N2CCCC2)ncc1[N+](=O)[O-] ZINC000092209508 180344885 /nfs/dbraw/zinc/34/48/85/180344885.db2.gz CIXNDOGIZALMAH-LLVKDONJSA-N 0 3 264.329 2.194 10 5 CEBEHN CC(C)[C@@H](CO)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000092393559 180376207 /nfs/dbraw/zinc/37/62/07/180376207.db2.gz RYPVLFYVTPXCCO-CMPLNLGQSA-N 0 3 252.314 2.262 10 5 CEBEHN Cc1cnn(CCN[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000231666391 370485423 /nfs/dbraw/zinc/48/54/23/370485423.db2.gz ONSOEISFPGYLMS-LBPRGKRZSA-N 0 3 274.324 2.451 10 5 CEBEHN O=[N+]([O-])c1cccc(F)c1CN1CCN2CCC[C@@H]2C1 ZINC000171638249 165049217 /nfs/dbraw/zinc/04/92/17/165049217.db2.gz USUQZXGVITWAAQ-LLVKDONJSA-N 0 3 279.315 2.014 10 5 CEBEHN O=C(CNC1CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000021265914 171300428 /nfs/dbraw/zinc/30/04/28/171300428.db2.gz XSSLIKFWAOZUGS-UHFFFAOYSA-N 0 3 263.297 2.066 10 5 CEBEHN CN[C@@H](C)c1cnn(Cc2cccc([N+](=O)[O-])c2)c1 ZINC000054720803 522339943 /nfs/dbraw/zinc/33/99/43/522339943.db2.gz ZTDAFQKPHUFKCZ-JTQLQIEISA-N 0 3 260.297 2.120 10 5 CEBEHN Cc1cc(OCc2ccnc(C(=N)N)c2)ccc1[N+](=O)[O-] ZINC000068762615 525376301 /nfs/dbraw/zinc/37/63/01/525376301.db2.gz YYSCPIYNINLCHQ-UHFFFAOYSA-N 0 3 286.291 2.161 10 5 CEBEHN Cc1ccc([N+](=O)[O-])cc1-c1noc([C@H]2CCCN2)n1 ZINC000050441194 526069687 /nfs/dbraw/zinc/06/96/87/526069687.db2.gz DQRPMCUWXVCBJK-LLVKDONJSA-N 0 3 274.280 2.378 10 5 CEBEHN Cc1noc(C)c1COc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516172 526520269 /nfs/dbraw/zinc/52/02/69/526520269.db2.gz HZNJEVWYUHRQML-UHFFFAOYSA-N 0 3 277.280 2.237 10 5 CEBEHN Cc1cnn(CCNCc2cccc([N+](=O)[O-])c2C)c1 ZINC000223030298 639410137 /nfs/dbraw/zinc/41/01/37/639410137.db2.gz XSKGVKPWPMACBR-UHFFFAOYSA-N 0 3 274.324 2.198 10 5 CEBEHN