smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000120141462 837390345 /nfs/dbraw/zinc/39/03/45/837390345.db2.gz BNEZIULWCIJHDE-HNNXBMFYSA-N 0 0 394.435 3.666 10 5 GHBERN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000136446500 836084948 /nfs/dbraw/zinc/08/49/48/836084948.db2.gz PTZRHYSFCSUZBM-TYOLEZHBSA-N 0 0 384.407 3.719 10 5 GHBERN O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCN2CCCC[C@H]2C1 ZINC000275507545 837149162 /nfs/dbraw/zinc/14/91/62/837149162.db2.gz MZYAJMSGDSVVGT-HNNXBMFYSA-N 0 0 397.425 3.682 10 5 GHBERN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccsc2)c2cccnc2)s1 ZINC000102776603 838215537 /nfs/dbraw/zinc/21/55/37/838215537.db2.gz RFEUUUHUIYSMGJ-UHFFFAOYSA-N 0 0 381.460 3.508 10 5 GHBERN C[C@@H]1CCCN(c2ccc(C(=O)N3CCO[C@H]4CCCC[C@@H]43)cc2[N+](=O)[O-])C1 ZINC000407967750 838287035 /nfs/dbraw/zinc/28/70/35/838287035.db2.gz REMYLVUPMXJAFI-BPAFIMBUSA-N 0 0 387.480 3.615 10 5 GHBERN Cc1ccc(NC(=O)CSCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1 ZINC000103377782 838385904 /nfs/dbraw/zinc/38/59/04/838385904.db2.gz KLMDHBAOHHSHDJ-CQSZACIVSA-N 0 0 399.472 3.553 10 5 GHBERN CCOc1ccc(C(=O)N2CC3(CCOCC3)c3ccccc32)cc1[N+](=O)[O-] ZINC000189813280 838419506 /nfs/dbraw/zinc/41/95/06/838419506.db2.gz TYEAZHRUNGUSLN-UHFFFAOYSA-N 0 0 382.416 3.702 10 5 GHBERN O=C(/C=C\c1cnc2ccccc2n1)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000588390425 840298643 /nfs/dbraw/zinc/29/86/43/840298643.db2.gz ITJGMFDHYTUZKB-VURMDHGXSA-N 0 0 399.204 3.952 10 5 GHBERN Cc1ccc([C@@H](C)NC(=O)N2CCC(Nc3nccs3)CC2)cc1[N+](=O)[O-] ZINC000187443601 842348851 /nfs/dbraw/zinc/34/88/51/842348851.db2.gz BVWACBLTTFKMNZ-CYBMUJFWSA-N 0 0 389.481 3.707 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CCN2CCOCC2)cc1 ZINC000588437343 842605311 /nfs/dbraw/zinc/60/53/11/842605311.db2.gz FMWDNTAKLDEBQC-MSUUIHNZSA-N 0 0 395.459 3.512 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1 ZINC000588439067 842734890 /nfs/dbraw/zinc/73/48/90/842734890.db2.gz HNDUIGFTJIDZLT-UGEDRFTOSA-N 0 0 381.432 3.862 10 5 GHBERN CC1CCN(c2ccc(C(=O)N3CCO[C@H]4CCCC[C@H]43)cc2[N+](=O)[O-])CC1 ZINC000046492421 845708131 /nfs/dbraw/zinc/70/81/31/845708131.db2.gz OCEYJQHEODKENL-QUCCMNQESA-N 0 0 387.480 3.615 10 5 GHBERN COC(=O)/C=C\c1ccc(Sc2nnc(C(F)(F)F)s2)c([N+](=O)[O-])c1 ZINC000588536233 847835702 /nfs/dbraw/zinc/83/57/02/847835702.db2.gz VADVVRNHLOKJOO-HYXAFXHYSA-N 0 0 391.352 3.803 10 5 GHBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](c2nccs2)C1 ZINC000249912474 857363941 /nfs/dbraw/zinc/36/39/41/857363941.db2.gz WITQTNPOYRYPOU-NWDGAFQWSA-N 0 0 394.884 3.911 10 5 GHBERN Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000246523241 857401056 /nfs/dbraw/zinc/40/10/56/857401056.db2.gz ISQRBFQSEMBVNE-YXJHDRRASA-N 0 0 387.436 3.855 10 5 GHBERN COc1ccccc1[C@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1noc(C)n1 ZINC000113959153 857807429 /nfs/dbraw/zinc/80/74/29/857807429.db2.gz BNCMRLJFXAGPKV-KRWDZBQOSA-N 0 0 388.811 3.827 10 5 GHBERN Cc1csc(C2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)n1 ZINC000156759132 860950346 /nfs/dbraw/zinc/95/03/46/860950346.db2.gz BMKCWPRIKHGOJA-UHFFFAOYSA-N 0 0 375.450 3.606 10 5 GHBERN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000103376902 871856187 /nfs/dbraw/zinc/85/61/87/871856187.db2.gz AYGSESJEQZOARU-SPLOXXLWSA-N 0 0 391.427 3.837 10 5 GHBERN Cc1cccc(N2CCC(NC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)n1 ZINC000127924180 887123644 /nfs/dbraw/zinc/12/36/44/887123644.db2.gz ZUKASQGFAKACNH-UHFFFAOYSA-N 0 0 383.452 3.706 10 5 GHBERN C[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 ZINC000015767046 204575660 /nfs/dbraw/zinc/57/56/60/204575660.db2.gz GCSZXPHWTPZWSU-AWEZNQCLSA-N 0 0 387.399 3.820 10 5 GHBERN O=C(O[C@H]1C[N+]2([O-])CCC1CC2)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000044964142 206196018 /nfs/dbraw/zinc/19/60/18/206196018.db2.gz PNHAPLMCCXMFAI-CUXOGPJSSA-N 0 0 378.472 3.878 10 5 GHBERN O=[N+]([O-])c1ccc(-c2c(I)n[nH]c2C(F)(F)F)cc1 ZINC000675076246 570910110 /nfs/dbraw/zinc/91/01/10/570910110.db2.gz MDIAWPUNZBYDME-UHFFFAOYSA-N 0 0 383.067 3.608 10 5 GHBERN O=C(Nc1ccccc1OCCn1ccnc1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000102637255 838173751 /nfs/dbraw/zinc/17/37/51/838173751.db2.gz NEJKWSAEWXXGTR-UHFFFAOYSA-N 0 0 391.387 3.604 10 5 GHBERN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC(Nc4ccccc4F)CC3)o2)cc1 ZINC000129027944 844304318 /nfs/dbraw/zinc/30/43/18/844304318.db2.gz GUWIYWFLDUURGJ-UHFFFAOYSA-N 0 0 397.410 3.860 10 5 GHBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000103377921 838388189 /nfs/dbraw/zinc/38/81/89/838388189.db2.gz YJQLOMJHOIQREP-KUHUBIRLSA-N 0 0 382.416 3.744 10 5 GHBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2ccc(F)cc2)no1 ZINC000109553789 841952798 /nfs/dbraw/zinc/95/27/98/841952798.db2.gz HAXKMMIJHYIBLG-SECBINFHSA-N 0 0 390.758 3.928 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Sc1nncn1C ZINC000588436073 842566523 /nfs/dbraw/zinc/56/65/23/842566523.db2.gz GTJXKRPQMVXWQF-QBFSEMIESA-N 0 0 395.444 3.917 10 5 GHBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000175988438 842673946 /nfs/dbraw/zinc/67/39/46/842673946.db2.gz DSEKYENVKJOYEW-UHFFFAOYSA-N 0 0 399.422 3.842 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000588439813 842738827 /nfs/dbraw/zinc/73/88/27/842738827.db2.gz XEPBDRSWWFIXIH-BRMHUDMSSA-N 0 0 386.473 3.955 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000588444663 842799441 /nfs/dbraw/zinc/79/94/41/842799441.db2.gz QBWVHKKOQVJZPT-MLRPBERTSA-N 0 0 383.423 3.780 10 5 GHBERN CC[C@H](NC(=O)N[C@H](c1nnc(C)[nH]1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000176683967 849679238 /nfs/dbraw/zinc/67/92/38/849679238.db2.gz WYPIBCHESKVGFZ-ROUUACIJSA-N 0 0 394.435 3.561 10 5 GHBERN CC[C@@H](NC(=O)N[C@H](c1nnc(C)[nH]1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000176683985 849679518 /nfs/dbraw/zinc/67/95/18/849679518.db2.gz WYPIBCHESKVGFZ-MSOLQXFVSA-N 0 0 394.435 3.561 10 5 GHBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(Br)cc1C ZINC000005960413 204159544 /nfs/dbraw/zinc/15/95/44/204159544.db2.gz ZXJWZVWCHUJWHP-UHFFFAOYSA-N 0 0 379.210 3.992 10 5 GHBERN O=C(O[C@H]1C[N+]2([O-])CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000575442661 717184234 /nfs/dbraw/zinc/18/42/34/717184234.db2.gz GNRIQHHGMJCSEE-QYYKVDRLSA-N 0 0 379.480 3.769 10 5 GHBERN COc1cccc(N2CC[C@H](CNC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000102524347 838161312 /nfs/dbraw/zinc/16/13/12/838161312.db2.gz INMBOOCWWSEBPM-OAHLLOKOSA-N 0 0 384.436 3.560 10 5 GHBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000102748329 838213464 /nfs/dbraw/zinc/21/34/64/838213464.db2.gz IWBNRUDTVKDDNS-UHFFFAOYSA-N 0 0 394.302 3.562 10 5 GHBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102915027 838267913 /nfs/dbraw/zinc/26/79/13/838267913.db2.gz ASOVZDZDSRVRTQ-KRWDZBQOSA-N 0 0 379.372 3.782 10 5 GHBERN CC(C)c1cc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)nn1C(C)(C)C ZINC000103201572 838376953 /nfs/dbraw/zinc/37/69/53/838376953.db2.gz OGQNNCLFNCRFGG-UHFFFAOYSA-N 0 0 397.439 3.707 10 5 GHBERN Cc1c(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)nnn1-c1ccccc1Cl ZINC000103375172 838387515 /nfs/dbraw/zinc/38/75/15/838387515.db2.gz WSZGMWFFZQUSNV-NSHDSACASA-N 0 0 397.822 3.729 10 5 GHBERN CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000103429447 838404396 /nfs/dbraw/zinc/40/43/96/838404396.db2.gz RCCAIVBLZBLIQF-UHFFFAOYSA-N 0 0 398.394 3.705 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000588436418 842566970 /nfs/dbraw/zinc/56/69/70/842566970.db2.gz WXRYEKQPWJRWFY-PFONDFGASA-N 0 0 379.416 3.873 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000588436873 842584388 /nfs/dbraw/zinc/58/43/88/842584388.db2.gz YLGCVTVEUKUTQP-FNDLEWIFSA-N 0 0 395.415 3.754 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1OCCn1ccnc1 ZINC000588437533 842721269 /nfs/dbraw/zinc/72/12/69/842721269.db2.gz VINFMAGIYGMMNM-PEZBUJJGSA-N 0 0 392.415 3.912 10 5 GHBERN COc1ccc(C[C@H](C)NC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000588438178 842724983 /nfs/dbraw/zinc/72/49/83/842724983.db2.gz LMZCFUGLURVKSY-SZGZABIGSA-N 0 0 384.432 3.763 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@](O)(c1ccccc1)C(F)(F)F ZINC000588446133 842860602 /nfs/dbraw/zinc/86/06/02/842860602.db2.gz HAPGTIDGZRZSHC-LVWOJMJRSA-N 0 0 394.349 3.564 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)c1nc(-c2ccccc2)no1 ZINC000588447389 843090854 /nfs/dbraw/zinc/09/08/54/843090854.db2.gz CJGYCVIZHLNEMY-ZSMUJPCHSA-N 0 0 392.415 3.968 10 5 GHBERN O=C(Nc1ccncc1[N+](=O)[O-])N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000183615739 846395003 /nfs/dbraw/zinc/39/50/03/846395003.db2.gz YUZCGPRDNPNKMA-UHFFFAOYSA-N 0 0 381.367 3.931 10 5 GHBERN Cc1c(F)cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000190396499 847625337 /nfs/dbraw/zinc/62/53/37/847625337.db2.gz LXHQCUPHBIQRDU-ZDUSSCGKSA-N 0 0 398.378 3.641 10 5 GHBERN Cc1ccc([C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CCO2)o1 ZINC000133311931 862498498 /nfs/dbraw/zinc/49/84/98/862498498.db2.gz XEXWSSQUMWCKNY-OAHLLOKOSA-N 0 0 384.310 3.729 10 5 GHBERN CN1Cc2cc(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)ccc2NC1=O ZINC000186650757 866496317 /nfs/dbraw/zinc/49/63/17/866496317.db2.gz GAAVZVXHRUMBQU-UHFFFAOYSA-N 0 0 395.419 3.769 10 5 GHBERN Cc1nnc([C@H](NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c2ccccc2)[nH]1 ZINC000191346556 884863221 /nfs/dbraw/zinc/86/32/21/884863221.db2.gz UXGQIHRFFRYVQZ-QGZVFWFLSA-N 0 0 380.408 3.549 10 5 GHBERN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCC[C@@H](C)C1 ZINC000187098722 835008829 /nfs/dbraw/zinc/00/88/29/835008829.db2.gz QHCJALLJHXSZBM-DYVFJYSZSA-N 0 0 395.887 3.651 10 5 GHBERN Cc1nc([C@@H]2CCCN2C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cs1 ZINC000187101293 835008851 /nfs/dbraw/zinc/00/88/51/835008851.db2.gz GHNPOUOPSIRXNO-KRWDZBQOSA-N 0 0 383.433 3.523 10 5 GHBERN O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000101682725 837987711 /nfs/dbraw/zinc/98/77/11/837987711.db2.gz ONWZNWZOJXEJDE-UHFFFAOYSA-N 0 0 394.362 3.843 10 5 GHBERN O=C(C1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1)N1CCc2ccccc21 ZINC000103470152 838422479 /nfs/dbraw/zinc/42/24/79/838422479.db2.gz INTKSCWRAPIOBN-UHFFFAOYSA-N 0 0 383.423 3.535 10 5 GHBERN CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(F)cc2C1 ZINC000302206735 861239128 /nfs/dbraw/zinc/23/91/28/861239128.db2.gz WPYAAVVJKSHXJT-MRXNPFEDSA-N 0 0 388.355 3.548 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000588435542 842554750 /nfs/dbraw/zinc/55/47/50/842554750.db2.gz HAGUOHQPLSEEIY-LUAWRHEFSA-N 0 0 394.836 3.694 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000588440148 842748397 /nfs/dbraw/zinc/74/83/97/842748397.db2.gz CXNDJJQXDMICNU-DINCDJDBSA-N 0 0 378.388 3.926 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cn(C)nc1-c1ccccc1 ZINC000588441743 842754159 /nfs/dbraw/zinc/75/41/59/842754159.db2.gz GACWJMITEQCBGP-QINSGFPZSA-N 0 0 376.416 3.715 10 5 GHBERN O=C(N[C@H]1CCOc2ccccc21)c1cccc([N+](=O)[O-])c1Br ZINC000182653214 845518775 /nfs/dbraw/zinc/51/87/75/845518775.db2.gz YSVHUCIMIAIZEU-LBPRGKRZSA-N 0 0 377.194 3.611 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000588540190 848034923 /nfs/dbraw/zinc/03/49/23/848034923.db2.gz YGLKSJLMFXSPBQ-ZIVLIRHDSA-N 0 0 386.370 3.598 10 5 GHBERN C[C@H](c1cnn(C)c1)N(C)C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000245738456 857154978 /nfs/dbraw/zinc/15/49/78/857154978.db2.gz LIUFUYTVKCSJLY-OWCLPIDISA-N 0 0 399.495 3.644 10 5 GHBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219438 857366201 /nfs/dbraw/zinc/36/62/01/857366201.db2.gz GNVUPTOXDTZXCP-MRXNPFEDSA-N 0 0 391.431 3.708 10 5 GHBERN COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3nccs3)C2)cc1SC ZINC000067047715 858411364 /nfs/dbraw/zinc/41/13/64/858411364.db2.gz JARSYSIAYOKALJ-LLVKDONJSA-N 0 0 393.490 3.802 10 5 GHBERN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H](c2nccs2)C1 ZINC000195354314 882162843 /nfs/dbraw/zinc/16/28/43/882162843.db2.gz DFSDSZGLJQKGQY-NEPJUHHUSA-N 0 0 394.884 3.911 10 5 GHBERN C[N@@+]1([O-])CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12 ZINC000248065217 717164164 /nfs/dbraw/zinc/16/41/64/717164164.db2.gz QXXCIRSBRHOOJE-NTKDMRAZSA-N 0 0 398.528 3.834 10 5 world GHBERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(C)s3)C2)c1 ZINC000175401251 836417279 /nfs/dbraw/zinc/41/72/79/836417279.db2.gz LRANNCRWBCZZGQ-LBPRGKRZSA-N 0 0 376.434 3.612 10 5 GHBERN Cc1cc(COC(=O)C2CCN(C(=O)c3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000181298712 837934431 /nfs/dbraw/zinc/93/44/31/837934431.db2.gz OGQCWCUWVKNDAY-UHFFFAOYSA-N 0 0 388.445 3.560 10 5 GHBERN CC(C)NC(=O)Nc1ccccc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000102636068 838173916 /nfs/dbraw/zinc/17/39/16/838173916.db2.gz HILBSCKNOSUNHI-UHFFFAOYSA-N 0 0 381.392 3.858 10 5 GHBERN CC(C)c1noc(CCCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000103613498 838465776 /nfs/dbraw/zinc/46/57/76/838465776.db2.gz XPQFGYTVGWTDIA-UHFFFAOYSA-N 0 0 389.456 3.654 10 5 GHBERN CC(=O)N1CC[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])c2ccc(F)cc2C1 ZINC000302193957 861236718 /nfs/dbraw/zinc/23/67/18/861236718.db2.gz NJDRNHSQGYOKQX-OAHLLOKOSA-N 0 0 378.791 3.688 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000588439814 842738939 /nfs/dbraw/zinc/73/89/39/842738939.db2.gz XEPBDRSWWFIXIH-UGKSPZPDSA-N 0 0 386.473 3.955 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1-n1ccc(C)n1 ZINC000588440530 842749499 /nfs/dbraw/zinc/74/94/99/842749499.db2.gz BYELWWMJSFCJQB-SQFISAMPSA-N 0 0 376.416 3.809 10 5 GHBERN 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386.477 3.954 10 5 GHBERN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@H]3c3ccc4c(c3)OCO4)o2)cc1 ZINC000102950496 838276374 /nfs/dbraw/zinc/27/63/74/838276374.db2.gz PBAOVMXFINXZCL-INIZCTEOSA-N 0 0 394.387 3.711 10 5 GHBERN COc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1OC(F)F ZINC000103375743 838385956 /nfs/dbraw/zinc/38/59/56/838385956.db2.gz OVKMPEZUJNCDSG-SNVBAGLBSA-N 0 0 378.331 3.796 10 5 GHBERN Cc1nc2c(cnn2C(C)C)cc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103376711 838386432 /nfs/dbraw/zinc/38/64/32/838386432.db2.gz WYJSXKDWUKUWNC-LBPRGKRZSA-N 0 0 379.420 3.820 10 5 GHBERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000135185266 841365444 /nfs/dbraw/zinc/36/54/44/841365444.db2.gz VUKDIEDQUVQQSV-SFHVURJKSA-N 0 0 397.456 3.589 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC(=O)Nc1c(C)cccc1C ZINC000588435665 842552532 /nfs/dbraw/zinc/55/25/32/842552532.db2.gz WFGTXFRZSNNJIR-VBKFSLOCSA-N 0 0 381.432 3.712 10 5 GHBERN CCCCNC(=O)c1ccc(CNC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000588444269 842794171 /nfs/dbraw/zinc/79/41/71/842794171.db2.gz WBVLKRAMICSYOA-PEZBUJJGSA-N 0 0 395.459 3.844 10 5 GHBERN Cc1cccnc1/C=C\C(=O)OCc1ccc([N+](=O)[O-])cc1Br ZINC000588453294 843334033 /nfs/dbraw/zinc/33/40/33/843334033.db2.gz ZOJJHJHHHLLUNJ-SREVYHEPSA-N 0 0 377.194 3.817 10 5 GHBERN Cc1c(OC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000051704968 843583107 /nfs/dbraw/zinc/58/31/07/843583107.db2.gz YSWRXVRCLAMYIO-UHFFFAOYSA-N 0 0 386.379 3.500 10 5 GHBERN Cc1ccc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CCO2)o1 ZINC000133311715 862498374 /nfs/dbraw/zinc/49/83/74/862498374.db2.gz XEXWSSQUMWCKNY-HNNXBMFYSA-N 0 0 384.310 3.729 10 5 GHBERN O=C1C[C@H](CNc2ccc([N+](=O)[O-])c3cnccc23)CN1CCc1ccccc1 ZINC000301565154 855245254 /nfs/dbraw/zinc/24/52/54/855245254.db2.gz LTOINIJOVDRVGQ-QGZVFWFLSA-N 0 0 390.443 3.646 10 5 GHBERN CN(c1cccnn1)C1CCN(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000159894626 863130984 /nfs/dbraw/zinc/13/09/84/863130984.db2.gz LFISJHZWRHMNCL-UHFFFAOYSA-N 0 0 395.385 3.504 10 5 GHBERN Cc1cccc2[nH]cc(CCNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)c21 ZINC000103128092 871352892 /nfs/dbraw/zinc/35/28/92/871352892.db2.gz CUQUYBLHMXKFKM-UHFFFAOYSA-N 0 0 382.376 3.574 10 5 GHBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000103377768 871856859 /nfs/dbraw/zinc/85/68/59/871856859.db2.gz QZJCOFDLNZPEMX-NSHDSACASA-N 0 0 382.376 3.669 10 5 GHBERN O=C(Nc1ccccc1CN1CCSCC1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000102638669 898020434 /nfs/dbraw/zinc/02/04/34/898020434.db2.gz POBCPDGTBSKPNO-UHFFFAOYSA-N 0 0 396.472 3.877 10 5 GHBERN Cc1cccc(C)c1OCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000005756077 204150582 /nfs/dbraw/zinc/15/05/82/204150582.db2.gz BPVJOGMMIJTDBN-UHFFFAOYSA-N 0 0 379.210 3.992 10 5 GHBERN COC(=O)c1c(NC(C)(C)C)oc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)OC ZINC000039126808 205040869 /nfs/dbraw/zinc/04/08/69/205040869.db2.gz IRXJKZRHWYOPJI-UHFFFAOYSA-N 0 0 376.365 3.638 10 5 GHBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(Nc2nccs2)CC1 ZINC000186954942 834831406 /nfs/dbraw/zinc/83/14/06/834831406.db2.gz MREAEDCVABAUTI-UHFFFAOYSA-N 0 0 381.845 3.813 10 5 GHBERN CSc1cccc(C(=O)N2CCC(Oc3ccc(C)cn3)CC2)c1[N+](=O)[O-] ZINC000188284916 835660324 /nfs/dbraw/zinc/66/03/24/835660324.db2.gz MWZUUBJRSUKEKY-UHFFFAOYSA-N 0 0 387.461 3.704 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnn(Cc2ccccc2F)c1C ZINC000588594265 835895024 /nfs/dbraw/zinc/89/50/24/835895024.db2.gz BQUULOLFMPTYMU-QBFSEMIESA-N 0 0 395.394 3.724 10 5 GHBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1nc(-c2cccs2)no1 ZINC000103376789 838387968 /nfs/dbraw/zinc/38/79/68/838387968.db2.gz SUFNDUHQAMOYAD-NSHDSACASA-N 0 0 384.417 3.617 10 5 GHBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC2(CCOCC2)c2ccccc21 ZINC000189841736 838424285 /nfs/dbraw/zinc/42/42/85/838424285.db2.gz YQTNBJGNTGFJAH-UHFFFAOYSA-N 0 0 391.427 3.714 10 5 GHBERN CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(F)cc2C1 ZINC000302206734 861239542 /nfs/dbraw/zinc/23/95/42/861239542.db2.gz WPYAAVVJKSHXJT-INIZCTEOSA-N 0 0 388.355 3.548 10 5 GHBERN CCS[C@@H](C)c1noc(CN(C)C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)n1 ZINC000588440565 842749657 /nfs/dbraw/zinc/74/96/57/842749657.db2.gz GRRGIGOPEKEQCZ-UKVQZPPCSA-N 0 0 390.465 3.854 10 5 GHBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190398323 847613568 /nfs/dbraw/zinc/61/35/68/847613568.db2.gz PEJYLNMASBKUMA-UHFFFAOYSA-N 0 0 392.506 3.880 10 5 GHBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000171645475 856214691 /nfs/dbraw/zinc/21/46/91/856214691.db2.gz QNQBTAYFGQTXFR-OLZOCXBDSA-N 0 0 377.491 3.938 10 5 GHBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000103377508 871856746 /nfs/dbraw/zinc/85/67/46/871856746.db2.gz OILJYWBPUSUDKV-CYBMUJFWSA-N 0 0 396.403 3.695 10 5 GHBERN CCN(CC)C(=O)c1ccccc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000102637493 873341578 /nfs/dbraw/zinc/34/15/78/873341578.db2.gz XZJWQMMEFYSHJG-UHFFFAOYSA-N 0 0 380.404 3.810 10 5 GHBERN O=[N+]([O-])c1ccc(CNc2ccc(-c3nnc4n3CCCC4)cc2)c([N+](=O)[O-])c1 ZINC000194151411 888070381 /nfs/dbraw/zinc/07/03/81/888070381.db2.gz SABTUCNKECGFLA-UHFFFAOYSA-N 0 0 394.391 3.710 10 5 GHBERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176752048 837732533 /nfs/dbraw/zinc/73/25/33/837732533.db2.gz CLKKANVXCDWHLY-CXAGYDPISA-N 0 0 385.468 3.861 10 5 GHBERN O=C(NCc1cccc(OCC(F)F)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000102482272 838144347 /nfs/dbraw/zinc/14/43/47/838144347.db2.gz PLMBUTHHFGBFPQ-UHFFFAOYSA-N 0 0 375.331 3.650 10 5 GHBERN CCCCN(Cc1ccccc1Cl)C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000102613755 838168787 /nfs/dbraw/zinc/16/87/87/838168787.db2.gz HOMVKZAGGCOUGK-UHFFFAOYSA-N 0 0 378.860 3.972 10 5 GHBERN O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000102636471 838173876 /nfs/dbraw/zinc/17/38/76/838173876.db2.gz MWCJTFGAIYSVTL-UHFFFAOYSA-N 0 0 398.806 3.874 10 5 GHBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000103377925 838387312 /nfs/dbraw/zinc/38/73/12/838387312.db2.gz YJQLOMJHOIQREP-AUUYWEPGSA-N 0 0 382.416 3.744 10 5 GHBERN Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3c4ccc([N+](=O)[O-])cc4C[C@@H]3C)c12 ZINC000103376313 838388185 /nfs/dbraw/zinc/38/81/85/838388185.db2.gz XOKYPJJIAGGBRO-NSHDSACASA-N 0 0 391.431 3.654 10 5 GHBERN COC(=O)/C=C\c1ccc(NCc2ncc(-c3ccccc3)cn2)c([N+](=O)[O-])c1 ZINC000588468475 844331218 /nfs/dbraw/zinc/33/12/18/844331218.db2.gz MPSVIVGTJLUNQR-NTMALXAHSA-N 0 0 390.399 3.850 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000588437880 842717114 /nfs/dbraw/zinc/71/71/14/842717114.db2.gz SLMJEUCQHFUKSZ-NXVVXOECSA-N 0 0 399.491 3.686 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCCc1nc2ccccc2[nH]1 ZINC000588444603 842793774 /nfs/dbraw/zinc/79/37/74/842793774.db2.gz VKFRQKZHQALTGA-PFONDFGASA-N 0 0 378.432 3.966 10 5 GHBERN COc1cccc([C@@H]2CN(C(=O)/C(C)=C\c3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000588446854 842873888 /nfs/dbraw/zinc/87/38/88/842873888.db2.gz KWIWOCNAIMGUBY-LFDGNKEFSA-N 0 0 382.416 3.607 10 5 GHBERN COc1cc(OC)cc([C@@H]2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000119446284 845304963 /nfs/dbraw/zinc/30/49/63/845304963.db2.gz LJQIRUMJSDOKSF-MRXNPFEDSA-N 0 0 384.432 3.561 10 5 GHBERN CC1CCN(c2ccc(C(=O)N3CCO[C@@H]4CCCC[C@@H]43)cc2[N+](=O)[O-])CC1 ZINC000046492419 845708162 /nfs/dbraw/zinc/70/81/62/845708162.db2.gz OCEYJQHEODKENL-AZUAARDMSA-N 0 0 387.480 3.615 10 5 GHBERN Cc1c(F)cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000190396522 847625272 /nfs/dbraw/zinc/62/52/72/847625272.db2.gz LXHQCUPHBIQRDU-CYBMUJFWSA-N 0 0 398.378 3.641 10 5 GHBERN C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000133141056 862414042 /nfs/dbraw/zinc/41/40/42/862414042.db2.gz HXWRFBNABDOFQG-JTQLQIEISA-N 0 0 393.808 3.833 10 5 GHBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCCN(c2ccccn2)CC1 ZINC000186474657 865997697 /nfs/dbraw/zinc/99/76/97/865997697.db2.gz CRUIVUXOCUWKSD-UHFFFAOYSA-N 0 0 382.445 3.557 10 5 GHBERN Cc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1[N+](=O)[O-] ZINC000186620673 866384241 /nfs/dbraw/zinc/38/42/41/866384241.db2.gz BTUZZILZMQPGTH-GFCCVEGCSA-N 0 0 383.408 3.763 10 5 GHBERN COc1ccccc1CC1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000102379017 872984315 /nfs/dbraw/zinc/98/43/15/872984315.db2.gz RDHBWWZOPYMUST-UHFFFAOYSA-N 0 0 399.403 3.607 10 5 GHBERN Cc1sc(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000101839428 897971454 /nfs/dbraw/zinc/97/14/54/897971454.db2.gz TXJXWFOEDIIIJL-UHFFFAOYSA-N 0 0 391.424 3.595 10 5 GHBERN Cc1nc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cs1 ZINC000187095804 908036645 /nfs/dbraw/zinc/03/66/45/908036645.db2.gz TXBWKXOHKVOEKD-ZDUSSCGKSA-N 0 0 376.394 3.554 10 5 GHBERN CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000190152075 908439991 /nfs/dbraw/zinc/43/99/91/908439991.db2.gz IPPUEICCKVYIPJ-IRXDYDNUSA-N 0 0 384.392 3.508 10 5 GHBERN CCOC(=O)c1c(C)c(C)sc1NC(=O)COc1ccc([N+](=O)[O-])cc1C ZINC000001284345 1068591504 /nfs/dbraw/zinc/59/15/04/1068591504.db2.gz OSRQYEVLMXSFEL-UHFFFAOYSA-N 0 0 392.433 3.776 10 5 GHBERN COC(=O)c1cc(C(=O)NCc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 ZINC000003603153 204015329 /nfs/dbraw/zinc/01/53/29/204015329.db2.gz NGLNVQRCFFTZHY-UHFFFAOYSA-N 0 0 383.187 3.618 10 5 GHBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000120141638 837420849 /nfs/dbraw/zinc/42/08/49/837420849.db2.gz BNEZIULWCIJHDE-OAHLLOKOSA-N 0 0 394.435 3.666 10 5 GHBERN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000187008774 834964051 /nfs/dbraw/zinc/96/40/51/834964051.db2.gz OPTNIOLBMQBLHN-IEJURRBGSA-N 0 0 384.819 3.919 10 5 GHBERN Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3c4ccc([N+](=O)[O-])cc4C[C@H]3C)c12 ZINC000103376315 838385554 /nfs/dbraw/zinc/38/55/54/838385554.db2.gz XOKYPJJIAGGBRO-LLVKDONJSA-N 0 0 391.431 3.654 10 5 GHBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C1CCC(NC(=O)C2CCCC2)CC1 ZINC000103375273 838386184 /nfs/dbraw/zinc/38/61/84/838386184.db2.gz IWBVHGMTLDEHJP-MXWWQKGMSA-N 0 0 399.491 3.738 10 5 GHBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1nnc(-c2ccsc2)o1 ZINC000103376258 838387397 /nfs/dbraw/zinc/38/73/97/838387397.db2.gz PWQBFFJPLIXVTF-NSHDSACASA-N 0 0 384.417 3.617 10 5 GHBERN CN([C@H](c1ccccc1)c1ccccn1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000108419800 841606512 /nfs/dbraw/zinc/60/65/12/841606512.db2.gz JQBYYKWTMPPKHW-HXUWFJFHSA-N 0 0 397.456 3.541 10 5 GHBERN CC(=O)Nc1cc(F)c(F)cc1NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588437972 842727768 /nfs/dbraw/zinc/72/77/68/842727768.db2.gz BGAFMXDBIUUINS-YFHOEESVSA-N 0 0 375.331 3.873 10 5 GHBERN CCc1nc(-c2ccccc2NC(=O)C(C)=Cc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000588447181 842889242 /nfs/dbraw/zinc/88/92/42/842889242.db2.gz QYFKJKIHDMXZHO-SEYXRHQNSA-N 0 0 377.404 3.984 10 5 GHBERN Cc1nnc([C@H](NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c2ccccc2)[nH]1 ZINC000119829798 847297480 /nfs/dbraw/zinc/29/74/80/847297480.db2.gz UFHMWSPIQHBACO-QGZVFWFLSA-N 0 0 380.408 3.549 10 5 GHBERN O=C(/C=C\c1ccncn1)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000588545697 848202847 /nfs/dbraw/zinc/20/28/47/848202847.db2.gz SALLZGLRAFUMLY-TWGQIWQCSA-N 0 0 376.372 3.616 10 5 GHBERN CC(C)NC(=O)c1ccc(NCc2ncc(-c3ccccc3)cn2)c([N+](=O)[O-])c1 ZINC000185996566 862608744 /nfs/dbraw/zinc/60/87/44/862608744.db2.gz XHUSQJVCNCHDFG-UHFFFAOYSA-N 0 0 391.431 3.802 10 5 GHBERN CN1Cc2cc(NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)ccc2NC1=O ZINC000186638446 866474009 /nfs/dbraw/zinc/47/40/09/866474009.db2.gz RWYIWZYLIQDWMV-UHFFFAOYSA-N 0 0 383.408 3.629 10 5 GHBERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000190055698 908414883 /nfs/dbraw/zinc/41/48/83/908414883.db2.gz GVYDZDDIRPQZFT-BEFAXECRSA-N 0 0 388.427 3.682 10 5 GHBERN COc1ccc(OC)c2sc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)nc21 ZINC000004331013 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Cc1cccc(NC(=O)CSCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1 ZINC000103377784 838387482 /nfs/dbraw/zinc/38/74/82/838387482.db2.gz XUEDIQJYBXRJQB-AWEZNQCLSA-N 0 0 399.472 3.553 10 5 GHBERN Cc1nc([C@@H]2CCCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cs1 ZINC000189826621 838416110 /nfs/dbraw/zinc/41/61/10/838416110.db2.gz JIHPKPWQOPKPJN-HNNXBMFYSA-N 0 0 380.857 3.789 10 5 GHBERN O=C(NC[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1)Nc1cccc(F)c1 ZINC000104060940 838612446 /nfs/dbraw/zinc/61/24/46/838612446.db2.gz XGSNJZCAMKIDED-CYBMUJFWSA-N 0 0 392.456 3.829 10 5 GHBERN C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000408035870 839034983 /nfs/dbraw/zinc/03/49/83/839034983.db2.gz NDBVONDNJSLXKW-BJJXKVORSA-N 0 0 384.274 3.662 10 5 GHBERN C[C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1csc(-c2ccco2)n1 ZINC000105713506 841769956 /nfs/dbraw/zinc/76/99/56/841769956.db2.gz CYXKRWYIMIUFMD-LLVKDONJSA-N 0 0 378.431 3.987 10 5 GHBERN Cc1cccc(-c2noc(CS(=O)(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000105714515 841770087 /nfs/dbraw/zinc/77/00/87/841770087.db2.gz PKAGFVPMOCAEQD-ZDUSSCGKSA-N 0 0 387.417 3.629 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000588437676 842722723 /nfs/dbraw/zinc/72/27/23/842722723.db2.gz QWINZDLDHCPKBY-PLFFATQSSA-N 0 0 395.415 3.832 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCc2noc(C)n2)cc1 ZINC000588438309 842726694 /nfs/dbraw/zinc/72/66/94/842726694.db2.gz CGPMTFHFXDQSBD-QBFSEMIESA-N 0 0 394.387 3.907 10 5 GHBERN COCc1cc([N+](=O)[O-])ccc1N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000301457723 854857862 /nfs/dbraw/zinc/85/78/62/854857862.db2.gz COBNVBFZWDODED-UHFFFAOYSA-N 0 0 384.358 3.867 10 5 GHBERN CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc(-c2cccnc2)no1 ZINC000301722902 857429087 /nfs/dbraw/zinc/42/90/87/857429087.db2.gz RTMFZRHOHTYXCP-OAHLLOKOSA-N 0 0 384.352 3.757 10 5 GHBERN CC(=O)N1CC[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)c2ccc(F)cc2C1 ZINC000185363578 859957288 /nfs/dbraw/zinc/95/72/88/859957288.db2.gz NZIMXVJSGUTCBY-IBGZPJMESA-N 0 0 391.830 3.970 10 5 GHBERN Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@H](Cn1cncn1)c1ccc(Cl)cc1 ZINC000102126048 872616263 /nfs/dbraw/zinc/61/62/63/872616263.db2.gz NXPKVLRXAQXKKQ-QGZVFWFLSA-N 0 0 386.795 3.746 10 5 GHBERN Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)Nc1ccc(C(C)C)cc1 ZINC000102202623 872749604 /nfs/dbraw/zinc/74/96/04/872749604.db2.gz RBCRMLQCDWCSGH-UHFFFAOYSA-N 0 0 381.230 3.624 10 5 GHBERN Cc1cc(NC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000193612589 886979522 /nfs/dbraw/zinc/97/95/22/886979522.db2.gz VCVQDKDQYWACBL-UHFFFAOYSA-N 0 0 388.468 3.550 10 5 GHBERN CCOC(=O)c1cc(C(=O)N2CCC[C@H]2c2csc(C)n2)cc([N+](=O)[O-])c1 ZINC000187081099 908033636 /nfs/dbraw/zinc/03/36/36/908033636.db2.gz RINPUDBFIZTWNT-INIZCTEOSA-N 0 0 389.433 3.514 10 5 GHBERN CC(C)(C)OC(=O)N1CCC[C@@H](CNc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000095085277 208152831 /nfs/dbraw/zinc/15/28/31/208152831.db2.gz POHLZVIWCQOZDY-LBPRGKRZSA-N 0 0 376.413 3.795 10 5 GHBERN CC(C)(C)OC(=O)N[C@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000095087096 208154390 /nfs/dbraw/zinc/15/43/90/208154390.db2.gz NLZJMCDKAUQCAU-NSHDSACASA-N 0 0 378.454 3.698 10 5 GHBERN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1nc2cc([N+](=O)[O-])ccc2s1 ZINC000095090873 208156399 /nfs/dbraw/zinc/15/63/99/208156399.db2.gz NWRHVMFDDYXCKS-NSHDSACASA-N 0 0 378.454 3.650 10 5 GHBERN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@]2(C1)OCc1ccccc12 ZINC000187008753 834963754 /nfs/dbraw/zinc/96/37/54/834963754.db2.gz OPTNIOLBMQBLHN-CPSHHHPTSA-N 0 0 384.819 3.919 10 5 GHBERN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000136457825 836026079 /nfs/dbraw/zinc/02/60/79/836026079.db2.gz OXPLOKSTIJDXHJ-AZJBKQKUSA-N 0 0 384.407 3.719 10 5 GHBERN O=C(Nc1ccccc1NC(=O)N1CCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000102636150 838174661 /nfs/dbraw/zinc/17/46/61/838174661.db2.gz RPMIGGJTWKCKOY-UHFFFAOYSA-N 0 0 393.403 3.956 10 5 GHBERN CC(=O)CCc1ccc(O[C@H](C)C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1 ZINC000103375421 838385604 /nfs/dbraw/zinc/38/56/04/838385604.db2.gz AIIUDDQHFATVTP-GDBMZVCRSA-N 0 0 396.443 3.862 10 5 GHBERN Cc1c(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)nnn1-c1cccc(Cl)c1 ZINC000103375130 838387979 /nfs/dbraw/zinc/38/79/79/838387979.db2.gz KMDJQGMSWURVDR-NSHDSACASA-N 0 0 397.822 3.729 10 5 GHBERN COc1ccccc1CCN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000104710505 838916551 /nfs/dbraw/zinc/91/65/51/838916551.db2.gz VAUDBALJXPZIFX-ZDUSSCGKSA-N 0 0 391.855 3.758 10 5 GHBERN C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000408035872 839034559 /nfs/dbraw/zinc/03/45/59/839034559.db2.gz NDBVONDNJSLXKW-INWMFGNUSA-N 0 0 384.274 3.662 10 5 GHBERN Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)n1 ZINC000047329125 840746781 /nfs/dbraw/zinc/74/67/81/840746781.db2.gz JLAZIJPMKAXDIF-UHFFFAOYSA-N 0 0 384.779 3.559 10 5 GHBERN COc1ccc(CSCC(=O)Nc2ccc3oc(C)nc3c2)cc1[N+](=O)[O-] ZINC000106008600 841857256 /nfs/dbraw/zinc/85/72/56/841857256.db2.gz QDZHIXYBBDXXQQ-UHFFFAOYSA-N 0 0 387.417 3.925 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCc1nc(Cc2ccc(F)cc2)no1 ZINC000588439785 842738808 /nfs/dbraw/zinc/73/88/08/842738808.db2.gz RKIBKLWSKHHBNF-RAXLEYEMSA-N 0 0 397.362 3.854 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000588439923 842740263 /nfs/dbraw/zinc/74/02/63/842740263.db2.gz PEJMPNGYPQVWFS-IKESIWSLSA-N 0 0 392.415 3.849 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Sc2nncn2C)cc1 ZINC000588443844 842772065 /nfs/dbraw/zinc/77/20/65/842772065.db2.gz GKHOVELCEMZABY-QBFSEMIESA-N 0 0 395.444 3.917 10 5 GHBERN COc1cc(NC2CCN(C(=O)C3CCCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000301609580 855319291 /nfs/dbraw/zinc/31/92/91/855319291.db2.gz BIDILWWKZRKCSH-UHFFFAOYSA-N 0 0 379.432 3.726 10 5 GHBERN Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000032517045 859002920 /nfs/dbraw/zinc/00/29/20/859002920.db2.gz ZOWZHZIDFFWISC-UHFFFAOYSA-N 0 0 385.395 3.533 10 5 GHBERN Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2Br)cc1[N+](=O)[O-] ZINC000007306174 209132217 /nfs/dbraw/zinc/13/22/17/209132217.db2.gz CQBJYXAJHSZLMK-NSHDSACASA-N 0 0 399.266 3.705 10 5 GHBERN COc1ccccc1C[N@@+]1(CCCS(=O)(=O)[O-])C=Nc2cc(C)c(C)cc21 ZINC000249703806 717164957 /nfs/dbraw/zinc/16/49/57/717164957.db2.gz KZVBRXIVHWEGOC-QFIPXVFZSA-O 0 0 389.497 3.771 10 5 GHBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000015424857 844015836 /nfs/dbraw/zinc/01/58/36/844015836.db2.gz HDHIEZDCIVNQNL-CYBMUJFWSA-N 0 0 386.383 3.617 10 5 GHBERN COc1cccc(N2CC[C@H](CNC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000102522005 838161328 /nfs/dbraw/zinc/16/13/28/838161328.db2.gz JRMGBEHWOAZDLM-OAHLLOKOSA-N 0 0 384.436 3.560 10 5 GHBERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000129040118 844310627 /nfs/dbraw/zinc/31/06/27/844310627.db2.gz RZIKNEGNQZUWHG-GFCCVEGCSA-N 0 0 378.820 3.620 10 5 GHBERN CCOc1cc(C(=O)NCCc2c[nH]c3cccc(C)c23)c([N+](=O)[O-])cc1OC ZINC000103129343 838335586 /nfs/dbraw/zinc/33/55/86/838335586.db2.gz BXJPRAGCVWNYKL-UHFFFAOYSA-N 0 0 397.431 3.764 10 5 GHBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000103377923 838385809 /nfs/dbraw/zinc/38/58/09/838385809.db2.gz YJQLOMJHOIQREP-LIRRHRJNSA-N 0 0 382.416 3.744 10 5 GHBERN Cc1c(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cnn1-c1ccccc1F ZINC000103376941 838386191 /nfs/dbraw/zinc/38/61/91/838386191.db2.gz RSDKIONQLOEXOV-LBPRGKRZSA-N 0 0 380.379 3.819 10 5 GHBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C1CCC(NC(=O)C2CCCC2)CC1 ZINC000103375276 838386700 /nfs/dbraw/zinc/38/67/00/838386700.db2.gz IWBVHGMTLDEHJP-NXVRBGIVSA-N 0 0 399.491 3.738 10 5 GHBERN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000177872849 840509385 /nfs/dbraw/zinc/50/93/85/840509385.db2.gz OODHDFSTRMIIJI-CRAIPNDOSA-N 0 0 396.447 3.777 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000588436254 842569626 /nfs/dbraw/zinc/56/96/26/842569626.db2.gz RIASFUZCMUXGSA-PFONDFGASA-N 0 0 379.416 3.873 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccccc1)[C@H](CO)C1CC1 ZINC000588448098 843157881 /nfs/dbraw/zinc/15/78/81/843157881.db2.gz IRPWBVOCEOQURW-QTIWRUEGSA-N 0 0 380.444 3.798 10 5 GHBERN Cc1ccc(N2CCC(NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CC2)nc1 ZINC000091735534 846524690 /nfs/dbraw/zinc/52/46/90/846524690.db2.gz NAKHJNIKWGWFNL-UHFFFAOYSA-N 0 0 382.464 3.622 10 5 GHBERN Cc1nnc([C@@H](NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c2ccccc2)[nH]1 ZINC000127673731 847269323 /nfs/dbraw/zinc/26/93/23/847269323.db2.gz SMPRNUGVVHJUNM-KRWDZBQOSA-N 0 0 380.408 3.549 10 5 GHBERN CC[C@@H](NC(=O)N[C@@H](c1nnc(C)[nH]1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000176684018 849679683 /nfs/dbraw/zinc/67/96/83/849679683.db2.gz WYPIBCHESKVGFZ-QZTJIDSGSA-N 0 0 394.435 3.561 10 5 GHBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000029249422 852896348 /nfs/dbraw/zinc/89/63/48/852896348.db2.gz CQRZFONMYXSBNQ-HNNXBMFYSA-N 0 0 389.843 3.543 10 5 GHBERN C[C@@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1nccn1Cc1ccccc1 ZINC000105714498 855136032 /nfs/dbraw/zinc/13/60/32/855136032.db2.gz ZZYBAZAWURCJOS-HNNXBMFYSA-N 0 0 385.445 3.516 10 5 GHBERN Cc1ccc([C@H]2CN([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CCO2)o1 ZINC000246578156 857408897 /nfs/dbraw/zinc/40/88/97/857408897.db2.gz MCECIZLZOSFTAA-CXAGYDPISA-N 0 0 384.392 3.681 10 5 GHBERN Cc1c(C(=O)N2CCC[C@@H](c3nccs3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000067046398 858404750 /nfs/dbraw/zinc/40/47/50/858404750.db2.gz GGNHDEOJMFLAJP-GFCCVEGCSA-N 0 0 390.421 3.596 10 5 GHBERN Cc1ccc([C@@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CCO2)o1 ZINC000151815518 865183538 /nfs/dbraw/zinc/18/35/38/865183538.db2.gz SYABHOCWSNSCBD-KRWDZBQOSA-N 0 0 399.428 3.833 10 5 GHBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O ZINC000102976121 870877931 /nfs/dbraw/zinc/87/79/31/870877931.db2.gz YDOGESFKWVEDHI-UHFFFAOYSA-N 0 0 381.413 3.983 10 5 GHBERN Cc1cc(NC(=O)C2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)no1 ZINC000301254371 871329134 /nfs/dbraw/zinc/32/91/34/871329134.db2.gz SRVZOKSTJNWOKN-UHFFFAOYSA-N 0 0 398.341 3.765 10 5 GHBERN Cc1nc([N+](=O)[O-])c(Br)n1Cc1coc(-c2ccc(F)cc2)n1 ZINC000102202069 872749763 /nfs/dbraw/zinc/74/97/63/872749763.db2.gz FFEYAHLPFKMLHB-UHFFFAOYSA-N 0 0 381.161 3.705 10 5 GHBERN Cc1nn(CCC(=O)OCCc2ccccc2C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000105775957 875457040 /nfs/dbraw/zinc/45/70/40/875457040.db2.gz YJNRPLXBKXNIDE-UHFFFAOYSA-N 0 0 385.342 3.603 10 5 GHBERN COc1cccc(N2CC[C@@H](CNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)c1 ZINC000102383005 898007431 /nfs/dbraw/zinc/00/74/31/898007431.db2.gz VDMCTPVRBZSPNN-ZDUSSCGKSA-N 0 0 389.839 3.513 10 5 GHBERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000190144920 908438669 /nfs/dbraw/zinc/43/86/69/908438669.db2.gz APDANKXMWQAMEA-WMLDXEAASA-N 0 0 384.392 3.508 10 5 GHBERN Cc1cc(C)cc(N2C[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2=O)c1 ZINC000020373363 207190392 /nfs/dbraw/zinc/19/03/92/207190392.db2.gz LOYIALHTLWUIMW-CYBMUJFWSA-N 0 0 387.823 3.857 10 5 GHBERN CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nc2cc([N+](=O)[O-])ccc2o1 ZINC000095075161 208153514 /nfs/dbraw/zinc/15/35/14/208153514.db2.gz MRQIJGHRHWPOLY-CYBMUJFWSA-N 0 0 390.440 3.819 10 5 GHBERN C[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3s2)CCN1C(=O)OC(C)(C)C ZINC000095090741 208155350 /nfs/dbraw/zinc/15/53/50/208155350.db2.gz GSSWFZGANWBKKD-NSHDSACASA-N 0 0 378.454 3.650 10 5 GHBERN Cc1nc([C@@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)no1 ZINC000180609151 837389127 /nfs/dbraw/zinc/38/91/27/837389127.db2.gz GCWXQXCZNSONQR-MZEUMTGBSA-N 0 0 398.806 3.859 10 5 GHBERN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCC(n2cncn2)CC1 ZINC000109700379 834918524 /nfs/dbraw/zinc/91/85/24/834918524.db2.gz VGJPAGVSAQYRMO-UHFFFAOYSA-N 0 0 375.738 3.700 10 5 GHBERN Cc1cccc2[nH]cc(CCNC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)c21 ZINC000103128475 838335282 /nfs/dbraw/zinc/33/52/82/838335282.db2.gz DMQGPQBIZQQXTE-UHFFFAOYSA-N 0 0 389.415 3.543 10 5 GHBERN Cc1cccc(NC(=O)CSCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1 ZINC000103377786 838388207 /nfs/dbraw/zinc/38/82/07/838388207.db2.gz XUEDIQJYBXRJQB-CQSZACIVSA-N 0 0 399.472 3.553 10 5 GHBERN O=[N+]([O-])c1ccc(N2CCC(c3noc(C4CC4)n3)CC2)cc1OC(F)F ZINC000302161876 861226582 /nfs/dbraw/zinc/22/65/82/861226582.db2.gz HOMYIMGDZDAHOF-UHFFFAOYSA-N 0 0 380.351 3.841 10 5 GHBERN Cc1cccc(-c2noc(CS(=O)(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000105714518 841769060 /nfs/dbraw/zinc/76/90/60/841769060.db2.gz PKAGFVPMOCAEQD-CYBMUJFWSA-N 0 0 387.417 3.629 10 5 GHBERN CC[C@H](NC(=O)N1CCC(Nc2nccs2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000187442363 842340153 /nfs/dbraw/zinc/34/01/53/842340153.db2.gz PFUILXQFIGJCSV-INIZCTEOSA-N 0 0 389.481 3.789 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000588436885 842584114 /nfs/dbraw/zinc/58/41/14/842584114.db2.gz ZCAQTCSHJROEHR-BENRWUELSA-N 0 0 387.823 3.992 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1nnc(-c2ccccc2)s1 ZINC000588440283 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CC(C)(C)OC(=O)N1CC[C@H](Sc2cnc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000085333483 208101329 /nfs/dbraw/zinc/10/13/29/208101329.db2.gz GYMUICRGFXXXBQ-LBPRGKRZSA-N 0 0 376.438 3.640 10 5 GHBERN CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000095087095 208155283 /nfs/dbraw/zinc/15/52/83/208155283.db2.gz NLZJMCDKAUQCAU-LLVKDONJSA-N 0 0 378.454 3.698 10 5 GHBERN Cc1nc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cs1 ZINC000187128001 835022948 /nfs/dbraw/zinc/02/29/48/835022948.db2.gz KILJOISKWSKUAS-AWEZNQCLSA-N 0 0 376.394 3.554 10 5 GHBERN C[C@@H]1CCCN(c2ccc(C(=O)N3CCO[C@@H]4CCCC[C@H]43)cc2[N+](=O)[O-])C1 ZINC000407967754 838286926 /nfs/dbraw/zinc/28/69/26/838286926.db2.gz REMYLVUPMXJAFI-XFQXTVEOSA-N 0 0 387.480 3.615 10 5 GHBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000103445149 838400605 /nfs/dbraw/zinc/40/06/05/838400605.db2.gz RKJONTUAAPKJTA-SFHVURJKSA-N 0 0 385.807 3.943 10 5 GHBERN O=C(Nc1cccc(-c2ncon2)c1)c1ccc([N+](=O)[O-])cc1Br 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CHVTXVMGMKFHCJ-WUKNDPDISA-N 0 0 399.491 3.639 10 5 GHBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000185406312 860092791 /nfs/dbraw/zinc/09/27/91/860092791.db2.gz UHJJWXWWNUTXQR-GOSISDBHSA-N 0 0 396.491 3.652 10 5 GHBERN COc1cc(/C=C/C(=O)N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000012989314 210041875 /nfs/dbraw/zinc/04/18/75/210041875.db2.gz WIAXGHGIKWLBIQ-XMXMHJJKSA-N 0 0 384.379 3.723 10 5 GHBERN CC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)n1S(=O)(=O)c1ccc(C)cc1 ZINC000090395644 209237069 /nfs/dbraw/zinc/23/70/69/209237069.db2.gz PKOMQUGMWWCCKS-UHFFFAOYSA-N 0 0 384.413 3.811 10 5 GHBERN CC(C)(C)OC(=O)N1CCC[C@@H](CNc2cnc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000095085281 211218483 /nfs/dbraw/zinc/21/84/83/211218483.db2.gz BQNPYRWZGQTZBJ-ZDUSSCGKSA-N 0 0 387.440 3.597 10 5 GHBERN CC(C)(C)OC(=O)N1CCC(Sc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000085332720 211176516 /nfs/dbraw/zinc/17/65/16/211176516.db2.gz SGBLMZQGDJAWOZ-UHFFFAOYSA-N 0 0 378.454 3.963 10 5 GHBERN Cc1sc(C(=O)N[C@@H](c2nc(-c3cccnc3)no2)C(C)C)cc1[N+](=O)[O-] ZINC000102151496 838071315 /nfs/dbraw/zinc/07/13/15/838071315.db2.gz BAJFCHXOEMPIRA-CQSZACIVSA-N 0 0 387.421 3.537 10 5 GHBERN Cc1sc(C(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000103413335 838395861 /nfs/dbraw/zinc/39/58/61/838395861.db2.gz QMTUYJZAAUBHBS-UHFFFAOYSA-N 0 0 379.413 3.593 10 5 GHBERN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCC(C)(C)C1 ZINC000112681570 842369329 /nfs/dbraw/zinc/36/93/29/842369329.db2.gz FIDQPUUCOWDWID-INIZCTEOSA-N 0 0 395.887 3.651 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC(=O)Nc1cccc(Cl)c1 ZINC000588436571 842585417 /nfs/dbraw/zinc/58/54/17/842585417.db2.gz BDKUUYILJQXMKH-RAXLEYEMSA-N 0 0 387.823 3.749 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 ZINC000588440197 842744002 /nfs/dbraw/zinc/74/40/02/842744002.db2.gz QGKPXCBPWQDEKV-IKESIWSLSA-N 0 0 392.415 3.849 10 5 GHBERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc([C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 ZINC000190373769 847499028 /nfs/dbraw/zinc/49/90/28/847499028.db2.gz NIHYFGHEBBLHBE-MAZHCROVSA-N 0 0 386.408 3.762 10 5 GHBERN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@@H](c2nccs2)C1 ZINC000171646859 856214321 /nfs/dbraw/zinc/21/43/21/856214321.db2.gz TVIZBEAHOHKZKL-OAHLLOKOSA-N 0 0 386.477 3.671 10 5 GHBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H](c2nccs2)C1 ZINC000172538809 856469467 /nfs/dbraw/zinc/46/94/67/856469467.db2.gz WZAAZPZUICYONO-JTQLQIEISA-N 0 0 396.266 3.834 10 5 GHBERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000190144938 908438422 /nfs/dbraw/zinc/43/84/22/908438422.db2.gz APDANKXMWQAMEA-PBHICJAKSA-N 0 0 384.392 3.508 10 5 GHBERN Cc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2Br)cc1[N+](=O)[O-] ZINC000007306176 212073098 /nfs/dbraw/zinc/07/30/98/212073098.db2.gz CQBJYXAJHSZLMK-LLVKDONJSA-N 0 0 399.266 3.705 10 5 GHBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Br)ccc2[N+](=O)[O-])c1 ZINC000583653006 570803225 /nfs/dbraw/zinc/80/32/25/570803225.db2.gz TTWMMCODMXSXKU-UHFFFAOYSA-N 0 0 380.154 3.826 10 5 GHBERN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCC[C@H](C)C1 ZINC000187098747 835008536 /nfs/dbraw/zinc/00/85/36/835008536.db2.gz QHCJALLJHXSZBM-GUYCJALGSA-N 0 0 395.887 3.651 10 5 GHBERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(C)s3)C2)c1 ZINC000175401272 836417742 /nfs/dbraw/zinc/41/77/42/836417742.db2.gz LRANNCRWBCZZGQ-GFCCVEGCSA-N 0 0 376.434 3.612 10 5 GHBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102915028 838267799 /nfs/dbraw/zinc/26/77/99/838267799.db2.gz ASOVZDZDSRVRTQ-QGZVFWFLSA-N 0 0 379.372 3.782 10 5 GHBERN Cc1cccc2[nH]cc(CCNC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)c21 ZINC000103128160 838335330 /nfs/dbraw/zinc/33/53/30/838335330.db2.gz KPFVQRKLELJKRK-UHFFFAOYSA-N 0 0 389.415 3.543 10 5 GHBERN CSCc1nc2ccccc2n1CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103376799 838385762 /nfs/dbraw/zinc/38/57/62/838385762.db2.gz VNLUOWTWYTZHDR-ZDUSSCGKSA-N 0 0 396.472 3.785 10 5 GHBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1csc(-c2ccccn2)n1 ZINC000103376632 838388119 /nfs/dbraw/zinc/38/81/19/838388119.db2.gz XZZLPTDGFSPFCC-LBPRGKRZSA-N 0 0 380.429 3.634 10 5 GHBERN C[C@@H](C(=O)N1CC2(CCOCC2)c2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC000189843039 838424141 /nfs/dbraw/zinc/42/41/41/838424141.db2.gz UGOVYLPPSXSXOS-CQSZACIVSA-N 0 0 384.407 3.932 10 5 GHBERN Cc1sc(C(=O)N2CCN([C@@H](C)c3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000103974507 838570931 /nfs/dbraw/zinc/57/09/31/838570931.db2.gz NTKYHKHGWHVOKM-LBPRGKRZSA-N 0 0 377.441 3.623 10 5 GHBERN CC1(C)CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000408340292 842587019 /nfs/dbraw/zinc/58/70/19/842587019.db2.gz VFLHTCVQWAFJSX-INIZCTEOSA-N 0 0 385.258 3.522 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000588436701 842588202 /nfs/dbraw/zinc/58/82/02/842588202.db2.gz AVYNBZPDIWJQIA-QKNCTXAOSA-N 0 0 376.478 3.511 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccnc1OCC(F)(F)F ZINC000588436740 842588947 /nfs/dbraw/zinc/58/89/47/842588947.db2.gz DTNTXPILGZIPKJ-XFXZXTDPSA-N 0 0 395.337 3.651 10 5 GHBERN CCn1c(CCNC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000588445581 842832306 /nfs/dbraw/zinc/83/23/06/842832306.db2.gz HTFJJJHSUNOALB-PFONDFGASA-N 0 0 378.432 3.727 10 5 GHBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000007808981 843932282 /nfs/dbraw/zinc/93/22/82/843932282.db2.gz XONDXKHNAKMXOI-UHFFFAOYSA-N 0 0 393.871 3.503 10 5 GHBERN Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000182409112 845460293 /nfs/dbraw/zinc/46/02/93/845460293.db2.gz UATRZALOYCCPSL-UHFFFAOYSA-N 0 0 385.395 3.533 10 5 GHBERN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC=C(c2cccs2)CC1 ZINC000117720816 859586024 /nfs/dbraw/zinc/58/60/24/859586024.db2.gz WSHSHSKCOXYNCM-UHFFFAOYSA-N 0 0 380.429 3.772 10 5 GHBERN COc1ccccc1CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000104457438 874411671 /nfs/dbraw/zinc/41/16/71/874411671.db2.gz OGMNKXOGHQJELT-UHFFFAOYSA-N 0 0 383.448 3.518 10 5 GHBERN Cc1sc(C(=O)N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000103457141 898093479 /nfs/dbraw/zinc/09/34/79/898093479.db2.gz CWYDCSNHLIKBFO-UHFFFAOYSA-N 0 0 397.497 3.684 10 5 GHBERN CC(=O)c1c(OC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc2c(C)cc(=O)oc21 ZINC000005754080 209612483 /nfs/dbraw/zinc/61/24/83/209612483.db2.gz POBIBMZPPMYZSY-UHFFFAOYSA-N 0 0 381.340 3.740 10 5 GHBERN CN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000095075014 211215933 /nfs/dbraw/zinc/21/59/33/211215933.db2.gz CSBBCJFDHUNODE-AWEZNQCLSA-N 0 0 389.456 3.697 10 5 GHBERN Cc1cc2c(cc1C)[N@+](CCCS(=O)(=O)[O-])(Cc1ccc(F)cc1)C=N2 ZINC000249711093 717165143 /nfs/dbraw/zinc/16/51/43/717165143.db2.gz VYTXZZMIWFTNSP-JOCHJYFZSA-O 0 0 377.461 3.901 10 5 GHBERN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC000245928218 834763756 /nfs/dbraw/zinc/76/37/56/834763756.db2.gz OYISDKLQOGHDFZ-IGCXYCKISA-N 0 0 395.887 3.507 10 5 GHBERN COc1ccc(-c2cnc(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)o2)cc1 ZINC000102715032 838191965 /nfs/dbraw/zinc/19/19/65/838191965.db2.gz WPAFIGHBUJACRP-UHFFFAOYSA-N 0 0 377.360 3.565 10 5 GHBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000103376266 838386871 /nfs/dbraw/zinc/38/68/71/838386871.db2.gz WWTWYODMTRXLMX-JTQLQIEISA-N 0 0 381.310 3.522 10 5 GHBERN Cc1c(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)nnn1-c1cccc(Cl)c1 ZINC000103375132 838387401 /nfs/dbraw/zinc/38/74/01/838387401.db2.gz KMDJQGMSWURVDR-LLVKDONJSA-N 0 0 397.822 3.729 10 5 GHBERN Cc1nn(CC(C)C)c(C)c1CCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103376769 838387612 /nfs/dbraw/zinc/38/76/12/838387612.db2.gz JZVMWLLIPQZQCB-AWEZNQCLSA-N 0 0 384.480 3.975 10 5 GHBERN Cc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000408336779 842561965 /nfs/dbraw/zinc/56/19/65/842561965.db2.gz QQCYTDXFGJTOGU-ZDUSSCGKSA-N 0 0 380.388 3.502 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(=O)NC2CC2)ccc1C ZINC000588437088 842591550 /nfs/dbraw/zinc/59/15/50/842591550.db2.gz QKNCPPDWCUTPBE-KAMYIIQDSA-N 0 0 379.416 3.837 10 5 GHBERN COc1ccc(-c2nc(COC(=O)/C(C)=C\c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000588438636 842732335 /nfs/dbraw/zinc/73/23/35/842732335.db2.gz DNHFNUBHHDKMCC-QBFSEMIESA-N 0 0 395.371 3.800 10 5 GHBERN COC(=O)N(C)Cc1ccc(NC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000588438718 842732919 /nfs/dbraw/zinc/73/29/19/842732919.db2.gz AJHMJFRHIZCQBI-OWBHPGMISA-N 0 0 383.404 3.835 10 5 GHBERN COC(=O)c1sc(NC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)nc1C1CC1 ZINC000588441175 842752287 /nfs/dbraw/zinc/75/22/87/842752287.db2.gz RZANUUKTVDNVBZ-KTKRTIGZSA-N 0 0 387.417 3.757 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cn(-c2ccccc2)nc1C ZINC000588441739 842754239 /nfs/dbraw/zinc/75/42/39/842754239.db2.gz CDAIRKVHQBZASV-QINSGFPZSA-N 0 0 376.416 3.809 10 5 GHBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCC1CCN(CC(F)(F)F)CC1 ZINC000588446304 842865865 /nfs/dbraw/zinc/86/58/65/842865865.db2.gz NCZZGNRCNZUIBD-WYMLVPIESA-N 0 0 399.413 3.779 10 5 GHBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000056288160 861501505 /nfs/dbraw/zinc/50/15/05/861501505.db2.gz KEJBJGYVWDSDRK-SFHVURJKSA-N 0 0 399.472 3.835 10 5 GHBERN O=[N+]([O-])c1ccc(OC(F)F)c(CNCc2ncc(-c3ccccc3)cn2)c1 ZINC000185870177 861763760 /nfs/dbraw/zinc/76/37/60/861763760.db2.gz JIQDYKKLLLPJQJ-UHFFFAOYSA-N 0 0 386.358 3.943 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000588540189 848034970 /nfs/dbraw/zinc/03/49/70/848034970.db2.gz YGLKSJLMFXSPBQ-XIZFEBSPSA-N 0 0 386.370 3.598 10 5 GHBERN CCOc1ccc([C@@H](C)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1[N+](=O)[O-] ZINC000153548430 848638421 /nfs/dbraw/zinc/63/84/21/848638421.db2.gz WHIVHBQUFWJDQH-BFUOFWGJSA-N 0 0 381.436 3.860 10 5 GHBERN CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000190144812 908438601 /nfs/dbraw/zinc/43/86/01/908438601.db2.gz WCHNDHADGTYSMT-IRXDYDNUSA-N 0 0 384.392 3.508 10 5 GHBERN Nc1ccccc1NC(=O)c1ccc(Cn2cc3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000034891894 209245667 /nfs/dbraw/zinc/24/56/67/209245667.db2.gz QTYJJNQDRVQOII-UHFFFAOYSA-N 0 0 387.399 3.827 10 5 GHBERN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCC[C@H](C)C1 ZINC000187098703 835008822 /nfs/dbraw/zinc/00/88/22/835008822.db2.gz QHCJALLJHXSZBM-SUMWQHHRSA-N 0 0 395.887 3.651 10 5 GHBERN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2c2csc(C)n2)cc1OC ZINC000187130398 835023681 /nfs/dbraw/zinc/02/36/81/835023681.db2.gz OHAQANGCVSHMJV-AWEZNQCLSA-N 0 0 391.449 3.744 10 5 GHBERN O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@H](c2nccs2)C1 ZINC000180566347 837354743 /nfs/dbraw/zinc/35/47/43/837354743.db2.gz YTWNRQOXXMGUTD-JTQLQIEISA-N 0 0 396.266 3.834 10 5 GHBERN COc1ccc(OC)c(CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000105893614 841810436 /nfs/dbraw/zinc/81/04/36/841810436.db2.gz ZQPSGXOENKMQIL-UHFFFAOYSA-N 0 0 399.447 3.605 10 5 GHBERN COc1cc(C)c(CN(C)C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000588436021 842565336 /nfs/dbraw/zinc/56/53/36/842565336.db2.gz OQBRXTBJRWPGQI-GDNBJRDFSA-N 0 0 384.432 3.982 10 5 GHBERN CSc1ccccc1NC(=O)CN(C)C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588436359 842573071 /nfs/dbraw/zinc/57/30/71/842573071.db2.gz CDYGQIBDJDQCOQ-OWBHPGMISA-N 0 0 399.472 3.817 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC1(c2ccc(F)cc2)CCOCC1 ZINC000588438175 842724968 /nfs/dbraw/zinc/72/49/68/842724968.db2.gz FMUHKMDRECSBCC-PFONDFGASA-N 0 0 384.407 3.959 10 5 GHBERN COc1cccc(N2CC[C@@H](CNC(=O)/C(C)=C\c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000588445039 842804862 /nfs/dbraw/zinc/80/48/62/842804862.db2.gz BVMYVFVZUMWFJA-XOQYZJNISA-N 0 0 395.459 3.649 10 5 GHBERN O=[N+]([O-])c1ccc(CN2CCC[C@H](c3nnc4n3CCC4)C2)c(C(F)(F)F)c1 ZINC000160045243 863273228 /nfs/dbraw/zinc/27/32/28/863273228.db2.gz WQVJQNMKJJNEJL-ZDUSSCGKSA-N 0 0 395.385 3.531 10 5 GHBERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000101738172 872225507 /nfs/dbraw/zinc/22/55/07/872225507.db2.gz DMDWJAYEQFIJGX-GFCCVEGCSA-N 0 0 396.875 3.653 10 5 GHBERN Cn1cnnc1-c1cccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000121859412 885332895 /nfs/dbraw/zinc/33/28/95/885332895.db2.gz YIEWEEWWWRXIPT-SOFGYWHQSA-N 0 0 383.795 3.696 10 5 GHBERN CCn1cc(C2CCN(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cn1 ZINC000176725501 905920690 /nfs/dbraw/zinc/92/06/90/905920690.db2.gz FKGKVKWYIVNCIJ-OAHLLOKOSA-N 0 0 385.468 3.770 10 5 GHBERN Cc1ccc(S(=O)(=O)n2c(Br)cc3cc([N+](=O)[O-])ccc32)cc1 ZINC000299889359 212041106 /nfs/dbraw/zinc/04/11/06/212041106.db2.gz IEUIGJOIFIGLQE-UHFFFAOYSA-N 0 0 395.234 3.857 10 5 GHBERN CN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1nc2cc([N+](=O)[O-])ccc2o1 ZINC000095075015 211216112 /nfs/dbraw/zinc/21/61/12/211216112.db2.gz XSRQTESRMZMNMB-CQSZACIVSA-N 0 0 390.440 3.962 10 5 GHBERN Cc1sc(C(=O)N[C@H](c2nc(-c3cccnc3)no2)C(C)C)cc1[N+](=O)[O-] ZINC000102151501 838071467 /nfs/dbraw/zinc/07/14/67/838071467.db2.gz BAJFCHXOEMPIRA-AWEZNQCLSA-N 0 0 387.421 3.537 10 5 GHBERN Cc1cc(C)n(-c2ccc(C(=O)N3c4ccc([N+](=O)[O-])cc4C[C@H]3C)cc2)n1 ZINC000103377502 838387319 /nfs/dbraw/zinc/38/73/19/838387319.db2.gz JTWVLUOGKKOWBN-CQSZACIVSA-N 0 0 376.416 3.989 10 5 GHBERN Cc1nc2c(cnn2C(C)C)cc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000103376714 838387623 /nfs/dbraw/zinc/38/76/23/838387623.db2.gz WYJSXKDWUKUWNC-GFCCVEGCSA-N 0 0 379.420 3.820 10 5 GHBERN CCOC(=O)c1cc(C(=O)N[C@H](c2ccco2)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000105011028 839520950 /nfs/dbraw/zinc/52/09/50/839520950.db2.gz DZPXLGSVNOOVSK-IBGZPJMESA-N 0 0 394.383 3.884 10 5 GHBERN CC(=O)N1CC[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)c2ccc(F)cc2C1 ZINC000302184310 861234515 /nfs/dbraw/zinc/23/45/15/861234515.db2.gz GQORKZHFAFWGDR-QGZVFWFLSA-N 0 0 379.338 3.918 10 5 GHBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2ccc(F)cc2)no1 ZINC000109553788 841953390 /nfs/dbraw/zinc/95/33/90/841953390.db2.gz HAXKMMIJHYIBLG-VIFPVBQESA-N 0 0 390.758 3.928 10 5 GHBERN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C(C)=Cc1ccc([N+](=O)[O-])cc1 ZINC000588435404 842545083 /nfs/dbraw/zinc/54/50/83/842545083.db2.gz KQAJBTMYXPXNJM-OWBHPGMISA-N 0 0 392.415 3.696 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(C)nn(C)c1Oc1cccnc1 ZINC000588438138 842724120 /nfs/dbraw/zinc/72/41/20/842724120.db2.gz KGBLYMOTFNYKOL-QBFSEMIESA-N 0 0 393.403 3.866 10 5 GHBERN CC(=O)Nc1cccc2c1CCN(C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1)C2 ZINC000588444600 842793705 /nfs/dbraw/zinc/79/37/05/842793705.db2.gz VLJBXXSATDCZTM-OWBHPGMISA-N 0 0 379.416 3.541 10 5 GHBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174067878 857205054 /nfs/dbraw/zinc/20/50/54/857205054.db2.gz DKNDAXSXKJYZHE-UHFFFAOYSA-N 0 0 386.427 3.517 10 5 GHBERN Cc1cccc(N2CCC(NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CC2)n1 ZINC000094154094 882678011 /nfs/dbraw/zinc/67/80/11/882678011.db2.gz BCVNRRIDBQWZED-UHFFFAOYSA-N 0 0 382.464 3.622 10 5 GHBERN CC(C)(C)OC(=O)N1CCC[C@H](COc2cnc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000095085406 211218924 /nfs/dbraw/zinc/21/89/24/211218924.db2.gz CBXOPBMQIRBKJO-ZDUSSCGKSA-N 0 0 388.424 3.564 10 5 GHBERN CC(C)(C)OC(=O)N1CCC(COc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000095084052 211218520 /nfs/dbraw/zinc/21/85/20/211218520.db2.gz VXEAYQWOGFTTEH-UHFFFAOYSA-N 0 0 377.397 3.762 10 5 GHBERN CC(=O)N1CCc2c(c(-c3ccc(F)cc3)nn2Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000080822939 211160450 /nfs/dbraw/zinc/16/04/50/211160450.db2.gz HDSTTYOTVWALFX-UHFFFAOYSA-N 0 0 394.406 3.550 10 5 GHBERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176752082 837732355 /nfs/dbraw/zinc/73/23/55/837732355.db2.gz CLKKANVXCDWHLY-DYVFJYSZSA-N 0 0 385.468 3.861 10 5 GHBERN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCC[C@@H](C)C1 ZINC000187098684 835077732 /nfs/dbraw/zinc/07/77/32/835077732.db2.gz QHCJALLJHXSZBM-CXAGYDPISA-N 0 0 395.887 3.651 10 5 GHBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000101555655 837963442 /nfs/dbraw/zinc/96/34/42/837963442.db2.gz TXYAYNOWXQIYSS-HNNXBMFYSA-N 0 0 378.432 3.595 10 5 GHBERN Cc1noc2nc(C3CC3)cc(C(=O)N3c4ccc([N+](=O)[O-])cc4C[C@H]3C)c12 ZINC000103376382 838385817 /nfs/dbraw/zinc/38/58/17/838385817.db2.gz VGZXRPIHELSDPN-SNVBAGLBSA-N 0 0 378.388 3.908 10 5 GHBERN CCOc1cn(-c2ccccc2)nc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103374945 838385933 /nfs/dbraw/zinc/38/59/33/838385933.db2.gz SSAOEYBBZGUURX-AWEZNQCLSA-N 0 0 392.415 3.771 10 5 GHBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1nc(-c2cccs2)no1 ZINC000103376785 838387221 /nfs/dbraw/zinc/38/72/21/838387221.db2.gz SUFNDUHQAMOYAD-LLVKDONJSA-N 0 0 384.417 3.617 10 5 GHBERN C[C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1coc(-c2cccs2)n1 ZINC000105714166 841769864 /nfs/dbraw/zinc/76/98/64/841769864.db2.gz QNMCVCWAKJNJAX-LLVKDONJSA-N 0 0 378.431 3.987 10 5 GHBERN COc1ccc(NC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)c(C(=O)NC2CC2)c1 ZINC000588438214 842725387 /nfs/dbraw/zinc/72/53/87/842725387.db2.gz WNXOFMDWOFHXKZ-QBFSEMIESA-N 0 0 395.415 3.538 10 5 GHBERN COC(=O)[C@H](C)[C@H](NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000588439799 842739006 /nfs/dbraw/zinc/73/90/06/842739006.db2.gz JOCPYCUBVPNNTP-JWPZBHSISA-N 0 0 382.416 3.665 10 5 GHBERN CC[C@]1(c2ccc(N[C@H](C)c3ccc([N+](=O)[O-])cc3)cc2)CCC(=O)NC1=O ZINC000182743422 845533789 /nfs/dbraw/zinc/53/37/89/845533789.db2.gz QNPSJDNXMVGMAL-SPLOXXLWSA-N 0 0 381.432 3.852 10 5 GHBERN O=C(c1cccs1)N1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000153912264 850984708 /nfs/dbraw/zinc/98/47/08/850984708.db2.gz ZIUDXHWZUZDKOO-UHFFFAOYSA-N 0 0 379.869 3.658 10 5 GHBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000171645471 856214527 /nfs/dbraw/zinc/21/45/27/856214527.db2.gz QNQBTAYFGQTXFR-STQMWFEESA-N 0 0 377.491 3.938 10 5 GHBERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000151918511 866143294 /nfs/dbraw/zinc/14/32/94/866143294.db2.gz YQCAMISSEGNFBT-OWNNVSBGSA-N 0 0 389.843 3.628 10 5 GHBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2nc(-c3ccccc3)cs2)CC1 ZINC000001349560 209320372 /nfs/dbraw/zinc/32/03/72/209320372.db2.gz UZBZFYIOHDJAOX-UHFFFAOYSA-N 0 0 394.456 3.681 10 5 GHBERN CCc1cccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000040868490 210796745 /nfs/dbraw/zinc/79/67/45/210796745.db2.gz DIJNBZWSXUZHTG-UHFFFAOYSA-N 0 0 379.210 3.937 10 5 GHBERN Cc1ccc([C@H](C)NC(=O)N2CCC(Nc3nccs3)CC2)cc1[N+](=O)[O-] ZINC000187443621 842349578 /nfs/dbraw/zinc/34/95/78/842349578.db2.gz BVWACBLTTFKMNZ-ZDUSSCGKSA-N 0 0 389.481 3.707 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000588437007 842589647 /nfs/dbraw/zinc/58/96/47/842589647.db2.gz ICRYPPBXTVQCKW-YBEMTRGBSA-N 0 0 379.416 3.760 10 5 GHBERN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC=C(c2cccs2)CC1 ZINC000117724258 859591210 /nfs/dbraw/zinc/59/12/10/859591210.db2.gz FBXNVYDKYBQJRP-UHFFFAOYSA-N 0 0 380.429 3.772 10 5 GHBERN CC(C)(C)NC(=O)c1ccccc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000102637259 873341825 /nfs/dbraw/zinc/34/18/25/873341825.db2.gz MXFBXBMCHYPRBK-UHFFFAOYSA-N 0 0 380.404 3.857 10 5 GHBERN COc1ccccc1CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000104457429 874412053 /nfs/dbraw/zinc/41/20/53/874412053.db2.gz IEPIJRPFKIMUDB-UHFFFAOYSA-N 0 0 397.475 3.908 10 5 GHBERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2)cc1 ZINC000122049268 883452173 /nfs/dbraw/zinc/45/21/73/883452173.db2.gz RSRGTOCUYRACDP-DOMZBBRYSA-N 0 0 385.376 3.530 10 5 GHBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000191339003 884861571 /nfs/dbraw/zinc/86/15/71/884861571.db2.gz YYMHDLLZXRAQKY-OAHLLOKOSA-N 0 0 394.435 3.666 10 5 GHBERN Cc1nc([C@@H]2CCCN2C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cs1 ZINC000187055669 908028086 /nfs/dbraw/zinc/02/80/86/908028086.db2.gz DLFWUMPHRHORTQ-HNNXBMFYSA-N 0 0 383.433 3.523 10 5 GHBERN Cc1nc([C@@H]2CCCN2C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cs1 ZINC000187095162 908036261 /nfs/dbraw/zinc/03/62/61/908036261.db2.gz XIOFFCKPAZPHHE-INIZCTEOSA-N 0 0 386.477 3.937 10 5 GHBERN CC(C)(C)OC(=O)N1CC[C@@H](COc2nc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000095084054 211218976 /nfs/dbraw/zinc/21/89/76/211218976.db2.gz KSRWKNVTZHTKID-LLVKDONJSA-N 0 0 379.438 3.840 10 5 GHBERN CC(C)(C)OC(=O)N1CC[C@H](CNc2nc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000095083895 211218984 /nfs/dbraw/zinc/21/89/84/211218984.db2.gz QWOAFGAJIUYLHS-LLVKDONJSA-N 0 0 378.454 3.873 10 5 GHBERN CC(C)(C)OC(=O)N1CCCC[C@H]1COc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000095086603 211218866 /nfs/dbraw/zinc/21/88/66/211218866.db2.gz QTEHVMDTOBDCGX-ZDUSSCGKSA-N 0 0 377.397 3.904 10 5 GHBERN C[N+]1([O-])CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12 ZINC000022058301 717113074 /nfs/dbraw/zinc/11/30/74/717113074.db2.gz QXXCIRSBRHOOJE-PHSANKKPSA-N 0 0 398.528 3.834 10 5 world GHBERN O=C(O[C@H]1C[N+]2([O-])CCC1CC2)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000575417592 717184382 /nfs/dbraw/zinc/18/43/82/717184382.db2.gz GNRIQHHGMJCSEE-CUXOGPJSSA-N 0 0 379.480 3.769 10 5 GHBERN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000102637165 838174720 /nfs/dbraw/zinc/17/47/20/838174720.db2.gz 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C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000588437677 842722958 /nfs/dbraw/zinc/72/29/58/842722958.db2.gz QWINZDLDHCPKBY-SEWDUPMJSA-N 0 0 395.415 3.832 10 5 GHBERN COC[C@@H](NC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000588441463 842753401 /nfs/dbraw/zinc/75/34/01/842753401.db2.gz VJZNYWOCHJOHGG-ZPHJMFTNSA-N 0 0 376.359 3.780 10 5 GHBERN CC[C@@]1(c2ccc(N[C@H](C)c3cccc([N+](=O)[O-])c3)cc2)CCC(=O)NC1=O ZINC000182743610 845535081 /nfs/dbraw/zinc/53/50/81/845535081.db2.gz FIBUGRSEXSFRSQ-SZNDQCEHSA-N 0 0 381.432 3.852 10 5 GHBERN Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])o1 ZINC000123169053 856021048 /nfs/dbraw/zinc/02/10/48/856021048.db2.gz XYDMQJONGXGQRQ-VYENPZKTSA-N 0 0 390.399 3.626 10 5 GHBERN Cc1cccc(N2CCC(NC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)n1 ZINC000116930234 859225252 /nfs/dbraw/zinc/22/52/52/859225252.db2.gz FJRSXMOECCZJPG-UHFFFAOYSA-N 0 0 389.843 3.742 10 5 GHBERN O=C(c1cccs1)N1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000301389612 860466616 /nfs/dbraw/zinc/46/66/16/860466616.db2.gz FWTMZQDHJNGABN-UHFFFAOYSA-N 0 0 397.403 3.610 10 5 GHBERN Cc1nc(C)n(C[C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)C2)n1 ZINC000159976864 863213617 /nfs/dbraw/zinc/21/36/17/863213617.db2.gz FEVYEVQSJOCDEY-CQSZACIVSA-N 0 0 397.401 3.734 10 5 GHBERN COc1ccccc1CCN(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000105375889 875279762 /nfs/dbraw/zinc/27/97/62/875279762.db2.gz BHBGZLRANZPXMD-UHFFFAOYSA-N 0 0 393.237 3.681 10 5 GHBERN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc(-c2ncon2)c1 ZINC000101525627 885944565 /nfs/dbraw/zinc/94/45/65/885944565.db2.gz OBTCOSVKDRIALU-UHFFFAOYSA-N 0 0 396.406 3.843 10 5 GHBERN Cc1c(NC(=O)c2ccc3c(c2)C(=O)N(CCC(C)C)C3=O)cccc1[N+](=O)[O-] ZINC000015790977 210171272 /nfs/dbraw/zinc/17/12/72/210171272.db2.gz FGBSDNCWMVOVMZ-UHFFFAOYSA-N 0 0 395.415 3.798 10 5 GHBERN Cc1ccc(I)c(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000102833026 838241498 /nfs/dbraw/zinc/24/14/98/838241498.db2.gz NGKOPOICHHFSAF-UHFFFAOYSA-N 0 0 396.184 3.784 10 5 GHBERN CC(=O)c1ccc(OCCCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cc1 ZINC000103377432 838385201 /nfs/dbraw/zinc/38/52/01/838385201.db2.gz KMRTUNCHGURQTK-AWEZNQCLSA-N 0 0 382.416 3.934 10 5 GHBERN CC(=O)c1cccc(OCCCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1 ZINC000103375525 838388125 /nfs/dbraw/zinc/38/81/25/838388125.db2.gz XERRKMVJOCUQMB-CQSZACIVSA-N 0 0 382.416 3.934 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1 ZINC000588436821 842581742 /nfs/dbraw/zinc/58/17/42/842581742.db2.gz PYJIWGLKNAVYED-YPKPFQOOSA-N 0 0 393.399 3.680 10 5 GHBERN COc1ccccc1N1CCC(NC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000588438323 842727497 /nfs/dbraw/zinc/72/74/97/842727497.db2.gz GFWMDQHZGGUTGQ-NXVVXOECSA-N 0 0 395.459 3.792 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccc(C(=O)N2CCCC2)cc1 ZINC000588438427 842730253 /nfs/dbraw/zinc/73/02/53/842730253.db2.gz JEESWXROOSOOEN-PFONDFGASA-N 0 0 380.400 3.840 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1noc(-c2ccccc2)n1 ZINC000588440152 842748282 /nfs/dbraw/zinc/74/82/82/842748282.db2.gz CXNDJJQXDMICNU-WUFNSSIPSA-N 0 0 378.388 3.926 10 5 GHBERN CCn1cnnc1[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000158000267 843004158 /nfs/dbraw/zinc/00/41/58/843004158.db2.gz DQVLDZOPEKMDAC-ZDUSSCGKSA-N 0 0 383.374 3.605 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)c1nc2ccccc2n1C ZINC000588489807 845683286 /nfs/dbraw/zinc/68/32/86/845683286.db2.gz WGGPQAXBXLSQRC-YPKPFQOOSA-N 0 0 378.432 3.936 10 5 GHBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC(Nc2nccs2)CC1 ZINC000190406528 847655824 /nfs/dbraw/zinc/65/58/24/847655824.db2.gz USSHSGIGCBRYKT-UHFFFAOYSA-N 0 0 388.474 3.983 10 5 GHBERN Cc1csc(C2CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)CC2)n1 ZINC000133560341 862596126 /nfs/dbraw/zinc/59/61/26/862596126.db2.gz WYXDLQALYAPFQY-UHFFFAOYSA-N 0 0 382.445 3.928 10 5 GHBERN CCOc1ccc([C@H](C)N[C@H](c2nnc(C)[nH]2)c2ccccc2)cc1[N+](=O)[O-] ZINC000153548318 855065676 /nfs/dbraw/zinc/06/56/76/855065676.db2.gz WHIVHBQUFWJDQH-DJJJIMSYSA-N 0 0 381.436 3.860 10 5 GHBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1C(=O)Nc2ccccc21 ZINC000171414948 856127989 /nfs/dbraw/zinc/12/79/89/856127989.db2.gz QEAYYBOLTXUJOA-SFHVURJKSA-N 0 0 396.447 3.641 10 5 GHBERN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](c2nccs2)C1 ZINC000172289468 856390336 /nfs/dbraw/zinc/39/03/36/856390336.db2.gz VTOPDGFWTUFFJJ-LBPRGKRZSA-N 0 0 395.868 3.880 10 5 GHBERN O=C(C[C@H]1Sc2ccccc2NC1=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000126078089 860935147 /nfs/dbraw/zinc/93/51/47/860935147.db2.gz ZSCKORLGXNRYMF-GOSISDBHSA-N 0 0 397.456 3.589 10 5 GHBERN Cc1nc(C)n(C[C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)C2)n1 ZINC000159976991 863226308 /nfs/dbraw/zinc/22/63/08/863226308.db2.gz FEVYEVQSJOCDEY-AWEZNQCLSA-N 0 0 397.401 3.734 10 5 GHBERN O=c1cc(CN2CCO[C@H](c3nccs3)C2)c2c(ccc3ccccc32)o1 ZINC000171667363 882121935 /nfs/dbraw/zinc/12/19/35/882121935.db2.gz DEQPFQAMOMKCHY-SFHVURJKSA-N 0 0 378.453 3.976 10 5 GHBERN CCn1cc([C@H]2CN(Cc3cc(=O)oc4ccc5ccccc5c34)CCO2)cn1 ZINC000190783093 884123055 /nfs/dbraw/zinc/12/30/55/884123055.db2.gz HWTBWCSBEBLMOM-OAQYLSRUSA-N 0 0 389.455 3.736 10 5 GHBERN CC(C)(C)OC(=O)n1cc(I)c2cccc([N+](=O)[O-])c21 ZINC000002563802 209369807 /nfs/dbraw/zinc/36/98/07/209369807.db2.gz PZXFFDNCCQKLOB-UHFFFAOYSA-N 0 0 388.161 3.937 10 5 GHBERN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H]3c3ccc4c(c3)OCO4)o2)cc1 ZINC000102950494 838276590 /nfs/dbraw/zinc/27/65/90/838276590.db2.gz PBAOVMXFINXZCL-MRXNPFEDSA-N 0 0 394.387 3.711 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F ZINC000588446131 842859685 /nfs/dbraw/zinc/85/96/85/842859685.db2.gz HAPGTIDGZRZSHC-FWFZHJKVSA-N 0 0 394.349 3.564 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC1CCN(CC(F)(F)F)CC1 ZINC000588447360 842892622 /nfs/dbraw/zinc/89/26/22/842892622.db2.gz KFQDSTJVVHRVJQ-RAXLEYEMSA-N 0 0 386.370 3.816 10 5 GHBERN CC[C@@]1(c2ccc(N[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2)CCC(=O)NC1=O ZINC000182743572 845534835 /nfs/dbraw/zinc/53/48/35/845534835.db2.gz FIBUGRSEXSFRSQ-QKKBWIMNSA-N 0 0 381.432 3.852 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000588495212 846095738 /nfs/dbraw/zinc/09/57/38/846095738.db2.gz CMKGRMQPMAORFZ-SSZFMOIBSA-N 0 0 398.434 3.733 10 5 GHBERN O=[N+]([O-])c1cc(CN2CC3(CCOCC3)c3ccccc32)c2c(c1)COCO2 ZINC000191620261 885515557 /nfs/dbraw/zinc/51/55/57/885515557.db2.gz MSKQWPHTZZPBFB-UHFFFAOYSA-N 0 0 382.416 3.530 10 5 GHBERN Cc1c(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000019164835 212111420 /nfs/dbraw/zinc/11/14/20/212111420.db2.gz KKBJTXZUOANZRM-UHFFFAOYSA-N 0 0 385.395 3.533 10 5 GHBERN COc1ccccc1Cc1nnc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])s1 ZINC000020274884 221480954 /nfs/dbraw/zinc/48/09/54/221480954.db2.gz CWCIRFCKLFJSOB-ZHACJKMWSA-N 0 0 396.428 3.698 10 5 GHBERN CC(C)(C)OC(=O)N1CC[C@@H](CSc2cnc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000085333475 222323502 /nfs/dbraw/zinc/32/35/02/222323502.db2.gz ZTZQDLCHVJJJGI-GFCCVEGCSA-N 0 0 390.465 3.887 10 5 GHBERN CC(C)(C)OC(=O)N1CCC[C@H](Sc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000085332724 222324365 /nfs/dbraw/zinc/32/43/65/222324365.db2.gz QBKVHVIVMGIVEQ-LBPRGKRZSA-N 0 0 378.454 3.963 10 5 GHBERN CN(c1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074082 222329544 /nfs/dbraw/zinc/32/95/44/222329544.db2.gz UBVQWESBNQVTGF-CYBMUJFWSA-N 0 0 376.413 3.572 10 5 GHBERN COc1cccc(N2CC[C@@H](CNC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000102521998 838161340 /nfs/dbraw/zinc/16/13/40/838161340.db2.gz JRMGBEHWOAZDLM-HNNXBMFYSA-N 0 0 384.436 3.560 10 5 GHBERN Cc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c2cnn(C(C)C)c2n1 ZINC000103376579 838386952 /nfs/dbraw/zinc/38/69/52/838386952.db2.gz RWVHNSZWTBODQQ-CYBMUJFWSA-N 0 0 379.420 3.820 10 5 GHBERN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000181454539 838405870 /nfs/dbraw/zinc/40/58/70/838405870.db2.gz 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C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO ZINC000588447485 843100364 /nfs/dbraw/zinc/10/03/64/843100364.db2.gz ATETWEHOTLKHFP-YFIXDKARSA-N 0 0 382.460 3.917 10 5 GHBERN C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000133141233 862413710 /nfs/dbraw/zinc/41/37/10/862413710.db2.gz HXWRFBNABDOFQG-SNVBAGLBSA-N 0 0 393.808 3.833 10 5 GHBERN Cc1ccc([C@H](C)NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000246430802 857374354 /nfs/dbraw/zinc/37/43/54/857374354.db2.gz JJKJQMQYSNYPMC-XERREHJYSA-N 0 0 395.459 3.690 10 5 GHBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(Br)cnc1Cl ZINC000103375243 871856029 /nfs/dbraw/zinc/85/60/29/871856029.db2.gz UZXYJXDOGQMDST-QMMMGPOBSA-N 0 0 396.628 3.997 10 5 GHBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(C(=O)c2cccs2)CC1 ZINC000020612599 875036884 /nfs/dbraw/zinc/03/68/84/875036884.db2.gz MEWFIRCXYMKLIT-UHFFFAOYSA-N 0 0 393.852 3.801 10 5 GHBERN CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)c1ccccn1 ZINC000042698588 886802462 /nfs/dbraw/zinc/80/24/62/886802462.db2.gz LTWYLZJNHTWZRQ-NRFANRHFSA-N 0 0 377.400 3.617 10 5 GHBERN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1c1csc(C)n1 ZINC000189751805 908372221 /nfs/dbraw/zinc/37/22/21/908372221.db2.gz ZUODLVUVYSGRKU-INIZCTEOSA-N 0 0 390.465 3.534 10 5 GHBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000189386351 838256990 /nfs/dbraw/zinc/25/69/90/838256990.db2.gz LWSWAXXQTCVOBW-UHFFFAOYSA-N 0 0 375.454 3.777 10 5 GHBERN Cc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c2cnn(C(C)C)c2n1 ZINC000103376577 838385582 /nfs/dbraw/zinc/38/55/82/838385582.db2.gz RWVHNSZWTBODQQ-ZDUSSCGKSA-N 0 0 379.420 3.820 10 5 GHBERN CSc1nc(C)c(CCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c(C)n1 ZINC000103376962 838387473 /nfs/dbraw/zinc/38/74/73/838387473.db2.gz RNDOSMRQAMJJLG-LLVKDONJSA-N 0 0 386.477 3.634 10 5 GHBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000588435674 842552285 /nfs/dbraw/zinc/55/22/85/842552285.db2.gz XTJIRVFQDBUFRJ-LFIBNONCSA-N 0 0 381.432 3.678 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000588436862 842584040 /nfs/dbraw/zinc/58/40/40/842584040.db2.gz VSQLXGZZUMSORD-ICFOKQHNSA-N 0 0 380.444 3.863 10 5 GHBERN CCn1cnnc1-c1ccccc1NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588436982 842597324 /nfs/dbraw/zinc/59/73/24/842597324.db2.gz YJNGPNLMPCRYJA-OWBHPGMISA-N 0 0 377.404 3.915 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1S(C)(=O)=O ZINC000588439502 842740731 /nfs/dbraw/zinc/74/07/31/842740731.db2.gz NBMQRRFSZZNZAA-KHPPLWFESA-N 0 0 394.836 3.694 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCc1nnc(-c2ccccc2)n1C ZINC000588445284 842808362 /nfs/dbraw/zinc/80/83/62/842808362.db2.gz ZWRXSANQXYQXJB-OWBHPGMISA-N 0 0 378.388 3.537 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000588447992 843142488 /nfs/dbraw/zinc/14/24/88/843142488.db2.gz WKHDQBUMUKFLTE-QMDZLVRISA-N 0 0 394.427 3.590 10 5 GHBERN CC1CCN(c2ccc(C(=O)N3CCO[C@H]4CCCC[C@@H]43)cc2[N+](=O)[O-])CC1 ZINC000046492417 845708207 /nfs/dbraw/zinc/70/82/07/845708207.db2.gz OCEYJQHEODKENL-ICSRJNTNSA-N 0 0 387.480 3.615 10 5 GHBERN CCn1cnnc1C1CCN(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000160018493 863246986 /nfs/dbraw/zinc/24/69/86/863246986.db2.gz PFUYVILRSQJUNC-UHFFFAOYSA-N 0 0 383.374 3.605 10 5 GHBERN COc1c(C)cc(CN(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1C ZINC000101529567 872068382 /nfs/dbraw/zinc/06/83/82/872068382.db2.gz UPBYENCSHIWYRJ-UHFFFAOYSA-N 0 0 387.392 3.709 10 5 GHBERN O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CCC(OCc2ccc(F)cc2)CC1 ZINC000129586570 887320229 /nfs/dbraw/zinc/32/02/29/887320229.db2.gz NJKNWGISXUKSNH-UHFFFAOYSA-N 0 0 394.349 3.834 10 5 GHBERN Cc1c(C(=O)Nc2ncc([N+](=O)[O-])s2)sc2nc(-c3ccccc3)cn12 ZINC000040828369 221932144 /nfs/dbraw/zinc/93/21/44/221932144.db2.gz BFHZYYREJZDKPE-UHFFFAOYSA-N 0 0 385.430 3.988 10 5 GHBERN CC(C)(C)OC(=O)N1CCCC[C@H]1COc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000095086601 222329894 /nfs/dbraw/zinc/32/98/94/222329894.db2.gz QACSBKOWKHWDBD-ZDUSSCGKSA-N 0 0 376.413 3.640 10 5 GHBERN CC(C)(C)OC(=O)N1CCCC[C@@H]1COc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000095086600 222330513 /nfs/dbraw/zinc/33/05/13/222330513.db2.gz QACSBKOWKHWDBD-CYBMUJFWSA-N 0 0 376.413 3.640 10 5 GHBERN CC(C)(C)OC(=O)N1CCCC[C@@H]1COc1cnc2cc([N+](=O)[O-])ccc2n1 ZINC000095086606 222330582 /nfs/dbraw/zinc/33/05/82/222330582.db2.gz RVXLHEHTCDRFJB-CQSZACIVSA-N 0 0 388.424 3.706 10 5 GHBERN COc1cccc(N2CC[C@@H](CNC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000102524343 838161211 /nfs/dbraw/zinc/16/12/11/838161211.db2.gz INMBOOCWWSEBPM-HNNXBMFYSA-N 0 0 384.436 3.560 10 5 GHBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1cnn(-c2ccccc2)c1 ZINC000103376839 838386621 /nfs/dbraw/zinc/38/66/21/838386621.db2.gz BWEWDHVYMNQBAD-HNNXBMFYSA-N 0 0 376.416 3.691 10 5 GHBERN Cc1sc(C(=O)N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)cc1[N+](=O)[O-] ZINC000103455702 838419804 /nfs/dbraw/zinc/41/98/04/838419804.db2.gz 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O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC=C(c2cccs2)CC1 ZINC000158034283 843665468 /nfs/dbraw/zinc/66/54/68/843665468.db2.gz HDYYNBIJHSFPGJ-UHFFFAOYSA-N 0 0 380.429 3.772 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000588512036 850468216 /nfs/dbraw/zinc/46/82/16/850468216.db2.gz IYLYZZRGQZBKJK-QKQONQEDSA-N 0 0 394.406 3.777 10 5 GHBERN Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)/C=C/c2cccc([N+](=O)[O-])c2)o1 ZINC000123046046 855334757 /nfs/dbraw/zinc/33/47/57/855334757.db2.gz WOFGWLINQZHRHQ-JBVUFVISSA-N 0 0 390.399 3.626 10 5 GHBERN O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[C@H](c2nccs2)C1 ZINC000171644730 856214507 /nfs/dbraw/zinc/21/45/07/856214507.db2.gz ALKZREMCAANQIC-AWEZNQCLSA-N 0 0 386.477 3.671 10 5 GHBERN Cc1csc(C2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)n1 ZINC000156779785 860957773 /nfs/dbraw/zinc/95/77/73/860957773.db2.gz MWEIZKLMEMKECB-UHFFFAOYSA-N 0 0 394.884 3.831 10 5 GHBERN Cc1ccc(N2CCC(NC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)nc1 ZINC000127566925 887077423 /nfs/dbraw/zinc/07/74/23/887077423.db2.gz DPSHTFYURFHJNL-UHFFFAOYSA-N 0 0 383.452 3.706 10 5 GHBERN O=[N+]([O-])c1ccc(CNCc2ccc(N3CCCCCC3)nc2)c([N+](=O)[O-])c1 ZINC000194219184 888121598 /nfs/dbraw/zinc/12/15/98/888121598.db2.gz PNWABXSGCVDEBZ-UHFFFAOYSA-N 0 0 385.424 3.568 10 5 GHBERN Cc1nc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cs1 ZINC000187094214 908036443 /nfs/dbraw/zinc/03/64/43/908036443.db2.gz ABBRBNUEIKCUQG-ZDUSSCGKSA-N 0 0 383.376 3.938 10 5 GHBERN CCOC(=O)c1cc(CC)sc1NC(=O)COc1ccc([N+](=O)[O-])cc1C ZINC000001284407 212234280 /nfs/dbraw/zinc/23/42/80/212234280.db2.gz LEORTLDNTCWLOR-UHFFFAOYSA-N 0 0 392.433 3.721 10 5 GHBERN CC(C)c1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)C2=O)cc1 ZINC000037275895 221870632 /nfs/dbraw/zinc/87/06/32/221870632.db2.gz OTKMJAVHANSTMO-HNNXBMFYSA-N 0 0 381.432 3.596 10 5 GHBERN CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1nc2cc([N+](=O)[O-])ccc2o1 ZINC000095075306 222328733 /nfs/dbraw/zinc/32/87/33/222328733.db2.gz 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/nfs/dbraw/zinc/36/59/20/857365920.db2.gz GNVUPTOXDTZXCP-INIZCTEOSA-N 0 0 391.431 3.708 10 5 GHBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](c2nccs2)C1 ZINC000195351040 882159219 /nfs/dbraw/zinc/15/92/19/882159219.db2.gz WITQTNPOYRYPOU-RYUDHWBXSA-N 0 0 394.884 3.911 10 5 GHBERN Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)ccc1[N+](=O)[O-] ZINC000040868995 221932895 /nfs/dbraw/zinc/93/28/95/221932895.db2.gz BVGMJWMNLUBIEA-UHFFFAOYSA-N 0 0 380.154 3.826 10 5 GHBERN CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000095087794 222330499 /nfs/dbraw/zinc/33/04/99/222330499.db2.gz ADNCAFOJPXPJQD-NSHDSACASA-N 0 0 378.454 3.556 10 5 GHBERN COc1ccc2c3ccc4cc(OC)c(OC)cc4c3n(C)c(=O)c2c1OC ZINC000000900931 560179799 /nfs/dbraw/zinc/17/97/99/560179799.db2.gz OTYYIACHHIZJSL-UHFFFAOYSA-N 0 0 379.412 3.879 10 5 in-vitro GHBERN Cc1ccc2cc3c(N)nn(C(=O)c4ccc([N+](=O)[O-])cc4Cl)c3nc2c1 ZINC000004961905 570383440 /nfs/dbraw/zinc/38/34/40/570383440.db2.gz DLRRCCGQYYACGF-UHFFFAOYSA-N 0 0 381.779 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Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)/C=C/c2cccc([N+](=O)[O-])c2)o1 ZINC000123045896 855334155 /nfs/dbraw/zinc/33/41/55/855334155.db2.gz WOFGWLINQZHRHQ-YXBWYFRISA-N 0 0 390.399 3.626 10 5 GHBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000171645482 856214638 /nfs/dbraw/zinc/21/46/38/856214638.db2.gz QNQBTAYFGQTXFR-CHWSQXEVSA-N 0 0 377.491 3.938 10 5 GHBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000007450009 919264596 /nfs/dbraw/zinc/26/45/96/919264596.db2.gz IZIOIZTXAGTUFF-UHFFFAOYSA-N 0 0 393.871 3.503 10 5 GHBERN O=[N+]([O-])c1ccc(CN2CCC[C@H](c3nncn3C3CC3)C2)c(C(F)(F)F)c1 ZINC000180884340 837665440 /nfs/dbraw/zinc/66/54/40/837665440.db2.gz LCJHUSLDLULXPP-ZDUSSCGKSA-N 0 0 395.385 3.920 10 5 GHBERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176752066 837732370 /nfs/dbraw/zinc/73/23/70/837732370.db2.gz CLKKANVXCDWHLY-SUMWQHHRSA-N 0 0 385.468 3.861 10 5 GHBERN Cc1nc([C@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)no1 ZINC000180595644 837376638 /nfs/dbraw/zinc/37/66/38/837376638.db2.gz OGFPWWUCDYETAC-YPHWWSSASA-N 0 0 398.806 3.859 10 5 GHBERN CC(=O)CCc1ccc(OCCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1 ZINC000103375520 838387268 /nfs/dbraw/zinc/38/72/68/838387268.db2.gz IRVCHVRHBWUZGO-OAHLLOKOSA-N 0 0 396.443 3.863 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1ccc(Br)nc1 ZINC000588439595 842742328 /nfs/dbraw/zinc/74/23/28/842742328.db2.gz CMJLIKOJVHXNHQ-LUAWRHEFSA-N 0 0 376.210 3.819 10 5 GHBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190447710 855155138 /nfs/dbraw/zinc/15/51/38/855155138.db2.gz BAPGZVHFECEECZ-HNNXBMFYSA-N 0 0 388.493 3.723 10 5 GHBERN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H](c2nccs2)C1 ZINC000171646855 856214598 /nfs/dbraw/zinc/21/45/98/856214598.db2.gz TVIZBEAHOHKZKL-HNNXBMFYSA-N 0 0 386.477 3.671 10 5 GHBERN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000130962282 857675681 /nfs/dbraw/zinc/67/56/81/857675681.db2.gz PZBVSLVNRFQQMV-UHFFFAOYSA-N 0 0 393.871 3.503 10 5 GHBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000185374855 860009186 /nfs/dbraw/zinc/00/91/86/860009186.db2.gz OAMBFFHUZSHPJK-SFHVURJKSA-N 0 0 396.491 3.652 10 5 GHBERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2)cc1 ZINC000122049527 883449858 /nfs/dbraw/zinc/44/98/58/883449858.db2.gz RSRGTOCUYRACDP-WFASDCNBSA-N 0 0 385.376 3.530 10 5 GHBERN CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000190144872 908438551 /nfs/dbraw/zinc/43/85/51/908438551.db2.gz WCHNDHADGTYSMT-IAGOWNOFSA-N 0 0 384.392 3.508 10 5 GHBERN O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1ccc(I)cc1 ZINC000033280604 221783033 /nfs/dbraw/zinc/78/30/33/221783033.db2.gz BBUJZYKAXQMKPQ-WTKPLQERSA-N 0 0 394.168 3.851 10 5 GHBERN CN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1nc2cc([N+](=O)[O-])ccc2o1 ZINC000095075016 222329101 /nfs/dbraw/zinc/32/91/01/222329101.db2.gz XSRQTESRMZMNMB-AWEZNQCLSA-N 0 0 390.440 3.962 10 5 GHBERN CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1nc2cc([N+](=O)[O-])ccc2o1 ZINC000095075557 222329642 /nfs/dbraw/zinc/32/96/42/222329642.db2.gz GNTOOMIDNPNKHN-UHFFFAOYSA-N 0 0 390.440 3.819 10 5 GHBERN COC(=O)c1cc([N+](=O)[O-])ccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000095929925 222360693 /nfs/dbraw/zinc/36/06/93/222360693.db2.gz NRXQYGCWXQUABW-KGLIPLIRSA-N 0 0 388.420 3.937 10 5 GHBERN CC(C)(C)OC(=O)Nc1cc(N2CCOCC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000098177635 534910502 /nfs/dbraw/zinc/91/05/02/534910502.db2.gz CCJHZEYABFTNGW-UHFFFAOYSA-N 0 0 391.346 3.797 10 5 GHBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000101555656 837962555 /nfs/dbraw/zinc/96/25/55/837962555.db2.gz TXYAYNOWXQIYSS-OAHLLOKOSA-N 0 0 378.432 3.595 10 5 GHBERN O=C(CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cccc2ccccc21 ZINC000101676592 837986973 /nfs/dbraw/zinc/98/69/73/837986973.db2.gz IPXLHQIKKJONHT-UHFFFAOYSA-N 0 0 388.383 3.598 10 5 GHBERN COc1ccc(OC)c([C@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000102695713 838185395 /nfs/dbraw/zinc/18/53/95/838185395.db2.gz OCGAJRRKSNQCEU-NSHDSACASA-N 0 0 393.827 3.555 10 5 GHBERN CC(C)c1nnc2n1CCN(Cc1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]2C ZINC000189519173 838267574 /nfs/dbraw/zinc/26/75/74/838267574.db2.gz GAAYGGXARGKURG-LLVKDONJSA-N 0 0 383.374 3.905 10 5 GHBERN O=C1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)CC[C@H]2N1C1CC1 ZINC000120187433 839737812 /nfs/dbraw/zinc/73/78/12/839737812.db2.gz QKGGMNAPGRJYPG-CXAGYDPISA-N 0 0 397.397 3.589 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(N2CCOC2=O)c1C ZINC000588439264 842740057 /nfs/dbraw/zinc/74/00/57/842740057.db2.gz WRWQKVCISDLGHJ-SEYXRHQNSA-N 0 0 381.388 3.902 10 5 GHBERN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588440141 842748319 /nfs/dbraw/zinc/74/83/19/842748319.db2.gz BVZUJUUPFUZULE-OWBHPGMISA-N 0 0 397.431 3.737 10 5 GHBERN COc1ccccc1N1CC[C@@H](CNC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000588445007 842807707 /nfs/dbraw/zinc/80/77/07/842807707.db2.gz FHRAQCFKSCCQGZ-ZUTYSQTGSA-N 0 0 395.459 3.649 10 5 GHBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000029249415 852896485 /nfs/dbraw/zinc/89/64/85/852896485.db2.gz CQRZFONMYXSBNQ-OAHLLOKOSA-N 0 0 389.843 3.543 10 5 GHBERN Cc1csc(C2CCN(C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000171275221 856071513 /nfs/dbraw/zinc/07/15/13/856071513.db2.gz KMPUBTSQERZKLB-UHFFFAOYSA-N 0 0 390.421 3.596 10 5 GHBERN Cc1c(C(=O)N2CCC[C@H](c3nccs3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000067046397 858404541 /nfs/dbraw/zinc/40/45/41/858404541.db2.gz GGNHDEOJMFLAJP-LBPRGKRZSA-N 0 0 390.421 3.596 10 5 GHBERN CC(=O)N1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)c2ccc(F)cc2C1 ZINC000185253338 859759274 /nfs/dbraw/zinc/75/92/74/859759274.db2.gz FHVIEZFUBFAAOI-MRXNPFEDSA-N 0 0 378.791 3.688 10 5 GHBERN C[C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000105713203 898230486 /nfs/dbraw/zinc/23/04/86/898230486.db2.gz PZSLAHPGIOICGA-LLVKDONJSA-N 0 0 397.836 3.695 10 5 GHBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000019160988 212110830 /nfs/dbraw/zinc/11/08/30/212110830.db2.gz NLAUMJXZZYFVEI-UHFFFAOYSA-N 0 0 385.395 3.533 10 5 GHBERN CC(C)(C)OC(=O)N1CCC[C@H](COc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000095085402 222330179 /nfs/dbraw/zinc/33/01/79/222330179.db2.gz SYEMDZNCPJSQDN-LBPRGKRZSA-N 0 0 377.397 3.762 10 5 GHBERN CC(C)(C)OC(=O)N1CCCC[C@H]1CNc1cnc2cc([N+](=O)[O-])ccc2n1 ZINC000095086469 222330877 /nfs/dbraw/zinc/33/08/77/222330877.db2.gz PUONELWJNZJZSC-AWEZNQCLSA-N 0 0 387.440 3.740 10 5 GHBERN COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000102639827 838173816 /nfs/dbraw/zinc/17/38/16/838173816.db2.gz FIMJGGQROFHIDE-CQSZACIVSA-N 0 0 395.415 3.528 10 5 GHBERN CN(C)C(=O)c1cc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)ccc1Cl ZINC000102635672 838173852 /nfs/dbraw/zinc/17/38/52/838173852.db2.gz YNEARJXNSXNZLI-UHFFFAOYSA-N 0 0 386.795 3.684 10 5 GHBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1nnc(-c2ccsc2)o1 ZINC000103376256 838385943 /nfs/dbraw/zinc/38/59/43/838385943.db2.gz PWQBFFJPLIXVTF-LLVKDONJSA-N 0 0 384.417 3.617 10 5 GHBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000103377665 838386570 /nfs/dbraw/zinc/38/65/70/838386570.db2.gz DKPPAYDXWAKYBT-LIRRHRJNSA-N 0 0 382.416 3.744 10 5 GHBERN COc1ccccc1N1CC[C@H](CNC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000588445006 842807588 /nfs/dbraw/zinc/80/75/88/842807588.db2.gz FHRAQCFKSCCQGZ-BBLCHGJFSA-N 0 0 395.459 3.649 10 5 GHBERN COc1cc(CN(C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)C2CC2)ccc1O ZINC000588446908 842873933 /nfs/dbraw/zinc/87/39/33/842873933.db2.gz KSKYOGMSGTZWPD-KAMYIIQDSA-N 0 0 382.416 3.904 10 5 GHBERN Cc1cccnc1/C=C/C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000588451984 843307533 /nfs/dbraw/zinc/30/75/33/843307533.db2.gz SOHVNTNHJYQZNA-ZGKFYVQTSA-N 0 0 397.431 3.511 10 5 GHBERN CC1CCN(c2ccc(C(=O)N3CCO[C@@H]4CCCC[C@H]43)cc2[N+](=O)[O-])CC1 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C[C@@H]1CCCN(c2ccc(C(=O)N3CCO[C@@H]4CCCC[C@@H]43)cc2[N+](=O)[O-])C1 ZINC000407967753 838286932 /nfs/dbraw/zinc/28/69/32/838286932.db2.gz REMYLVUPMXJAFI-MOXGXCLJSA-N 0 0 387.480 3.615 10 5 GHBERN CCN(CC)C(=O)c1ccc(CNC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000588436739 842588682 /nfs/dbraw/zinc/58/86/82/842588682.db2.gz GRJLKECIROWDIE-PEZBUJJGSA-N 0 0 395.459 3.797 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2C(=O)CCC2=O)c(C)c1 ZINC000588439095 842736073 /nfs/dbraw/zinc/73/60/73/842736073.db2.gz ABCISCQBIWEEQW-KAMYIIQDSA-N 0 0 393.399 3.599 10 5 GHBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000588439592 842742294 /nfs/dbraw/zinc/74/22/94/842742294.db2.gz BZLGXMUAAIJKMK-CSKARUKUSA-N 0 0 385.367 3.832 10 5 GHBERN O=C(/C=C\c1ccncn1)OCc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 ZINC000588439979 842747372 /nfs/dbraw/zinc/74/73/72/842747372.db2.gz YVYSQBMJDKBRTF-TWGQIWQCSA-N 0 0 377.356 3.934 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc(-c2ccncc2)cs1 ZINC000588445041 842805106 /nfs/dbraw/zinc/80/51/06/842805106.db2.gz CGZMILALPPYCPL-RAXLEYEMSA-N 0 0 380.429 3.833 10 5 GHBERN O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000183635641 846525825 /nfs/dbraw/zinc/52/58/25/846525825.db2.gz FBYCOTFVSBOPDD-OAHLLOKOSA-N 0 0 392.419 3.791 10 5 GHBERN CC(C)[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])c1nc(-c2cccnc2)no1 ZINC000301724317 857402061 /nfs/dbraw/zinc/40/20/61/857402061.db2.gz TUIACPYWJIINFM-LLVKDONJSA-N 0 0 385.409 3.558 10 5 GHBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000103377766 871856287 /nfs/dbraw/zinc/85/62/87/871856287.db2.gz QZJCOFDLNZPEMX-LLVKDONJSA-N 0 0 382.376 3.669 10 5 GHBERN COc1c(C)cc(CN(C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000101539176 872076025 /nfs/dbraw/zinc/07/60/25/872076025.db2.gz LLGNQMKJSUCWKH-UHFFFAOYSA-N 0 0 381.436 3.568 10 5 GHBERN Cc1ccc(C(=O)N2CCC[C@@H](COC(=O)c3ccc([N+](=O)[O-])cc3C)C2)o1 ZINC000102141780 872637356 /nfs/dbraw/zinc/63/73/56/872637356.db2.gz BKLOLYNMAROQTJ-OAHLLOKOSA-N 0 0 386.404 3.514 10 5 GHBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000191649996 885527661 /nfs/dbraw/zinc/52/76/61/885527661.db2.gz KZGAKMPQXMOOQQ-HNNXBMFYSA-N 0 0 391.431 3.587 10 5 GHBERN CC(=O)N1N=C(c2cc(Cl)nc(Cl)c2)O[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004277416 220701506 /nfs/dbraw/zinc/70/15/06/220701506.db2.gz YWJOELAHIKLXJK-OAHLLOKOSA-N 0 0 381.175 3.536 10 5 GHBERN Cc1ccccc1[C@H](C)NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000014425592 221309643 /nfs/dbraw/zinc/30/96/43/221309643.db2.gz XUXVMAJJOMQMHJ-ZDUSSCGKSA-N 0 0 397.460 3.674 10 5 GHBERN CCCOC(C(=O)OC1CC[N+](C)([O-])CC1)(c1ccccc1)c1ccccc1 ZINC000575231850 717183940 /nfs/dbraw/zinc/18/39/40/717183940.db2.gz URXLEGXNIKQNPZ-UHFFFAOYSA-N 0 0 384.496 3.898 10 5 GHBERN Cc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cs1 ZINC000188022188 835354127 /nfs/dbraw/zinc/35/41/27/835354127.db2.gz AMGNKUKPOSMMDA-LBPRGKRZSA-N 0 0 387.870 3.539 10 5 GHBERN Cn1nccc1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000102421705 838125901 /nfs/dbraw/zinc/12/59/01/838125901.db2.gz XSZZPXXRKYNPKF-UHFFFAOYSA-N 0 0 391.225 3.641 10 5 GHBERN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@H](c2nccs2)C1 ZINC000181497338 838568597 /nfs/dbraw/zinc/56/85/97/838568597.db2.gz ZVOMEVYNPVBEID-SNVBAGLBSA-N 0 0 383.376 3.673 10 5 GHBERN CCOC(=O)c1cc(C(=O)N[C@@H](c2ccco2)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000105011031 839521025 /nfs/dbraw/zinc/52/10/25/839521025.db2.gz DZPXLGSVNOOVSK-LJQANCHMSA-N 0 0 394.383 3.884 10 5 GHBERN Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000177872859 840509498 /nfs/dbraw/zinc/50/94/98/840509498.db2.gz OODHDFSTRMIIJI-MAUKXSAKSA-N 0 0 396.447 3.777 10 5 GHBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCCn1c(C)nc2ccccc21 ZINC000588444156 842792211 /nfs/dbraw/zinc/79/22/11/842792211.db2.gz UKVCWBDALIIWKM-CCEZHUSRSA-N 0 0 378.432 3.863 10 5 GHBERN O=C(N[C@H]1CCOc2ccccc21)c1cc([N+](=O)[O-])ccc1Br ZINC000064127542 843110385 /nfs/dbraw/zinc/11/03/85/843110385.db2.gz NHTUZBZHGSBAOX-AWEZNQCLSA-N 0 0 377.194 3.611 10 5 GHBERN COC(=O)c1ccc2c(=O)[nH]c(C(Cl)=Cc3ccc([N+](=O)[O-])cc3C)nc2c1 ZINC000588450022 843245669 /nfs/dbraw/zinc/24/56/69/843245669.db2.gz CHDOYGWRXSLFPV-OVCLIPMQSA-N 0 0 399.790 3.663 10 5 GHBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000176222330 844867294 /nfs/dbraw/zinc/86/72/94/844867294.db2.gz CTSHSPYMEPCARZ-HNNXBMFYSA-N 0 0 394.435 3.666 10 5 GHBERN Cc1nnc([C@@H](NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c2ccccc2)[nH]1 ZINC000119829640 847297713 /nfs/dbraw/zinc/29/77/13/847297713.db2.gz UFHMWSPIQHBACO-KRWDZBQOSA-N 0 0 380.408 3.549 10 5 GHBERN Nc1c(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)cccc1[N+](=O)[O-] ZINC000176686410 849668027 /nfs/dbraw/zinc/66/80/27/849668027.db2.gz PPIVRCUCOLBMML-HNNXBMFYSA-N 0 0 391.431 3.587 10 5 GHBERN CCOc1ccc(C(=O)N2CCC(Nc3ccccc3F)CC2)cc1[N+](=O)[O-] ZINC000174085372 857206330 /nfs/dbraw/zinc/20/63/30/857206330.db2.gz NXJMJCZXUWBIKC-UHFFFAOYSA-N 0 0 387.411 3.849 10 5 GHBERN Nc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)cc1[N+](=O)[O-] ZINC000113217629 857366099 /nfs/dbraw/zinc/36/60/99/857366099.db2.gz SAICBOUQEZDZAO-INIZCTEOSA-N 0 0 391.431 3.587 10 5 GHBERN O=C(N[C@@H]1CCOc2ccccc21)c1cc([N+](=O)[O-])ccc1Br ZINC000067648584 858649503 /nfs/dbraw/zinc/64/95/03/858649503.db2.gz NHTUZBZHGSBAOX-CQSZACIVSA-N 0 0 377.194 3.611 10 5 GHBERN COc1ccccc1CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000105375803 875278692 /nfs/dbraw/zinc/27/86/92/875278692.db2.gz HRFVATXOMHCEQZ-UHFFFAOYSA-N 0 0 393.237 3.681 10 5 GHBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000006987298 918229042 /nfs/dbraw/zinc/22/90/42/918229042.db2.gz ISIMOEQHUARAEL-UHFFFAOYSA-N 0 0 393.871 3.503 10 5 GHBERN O=C(Nc1c(Br)cc([N+](=O)[O-])cc1Br)c1ccco1 ZINC000004410218 230834436 /nfs/dbraw/zinc/83/44/36/230834436.db2.gz DPWZWVRJFOPCSF-UHFFFAOYSA-N 0 0 389.987 3.965 10 5 GHBERN CNc1ccc(C(=O)/N=c2\ccccn2Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000029385857 212117603 /nfs/dbraw/zinc/11/76/03/212117603.db2.gz INLWCXGISCVTKV-BSYVCWPDSA-N 0 0 376.416 3.536 10 5 GHBERN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000181082268 837820770 /nfs/dbraw/zinc/82/07/70/837820770.db2.gz NZYVUHLGIPFGTD-HNNXBMFYSA-N 0 0 391.431 3.587 10 5 GHBERN COc1ccccc1CC1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000102379140 838119695 /nfs/dbraw/zinc/11/96/95/838119695.db2.gz YMLBLQUDGYZSRI-UHFFFAOYSA-N 0 0 384.432 3.707 10 5 GHBERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000129039886 844310146 /nfs/dbraw/zinc/31/01/46/844310146.db2.gz RZIKNEGNQZUWHG-LBPRGKRZSA-N 0 0 378.820 3.620 10 5 GHBERN Cc1c(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)nnn1-c1ccccc1Cl ZINC000103375174 838387290 /nfs/dbraw/zinc/38/72/90/838387290.db2.gz WSZGMWFFZQUSNV-LLVKDONJSA-N 0 0 397.822 3.729 10 5 GHBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1csc(-c2ccccn2)n1 ZINC000103376630 838388141 /nfs/dbraw/zinc/38/81/41/838388141.db2.gz XZZLPTDGFSPFCC-GFCCVEGCSA-N 0 0 380.429 3.634 10 5 GHBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000103445150 838400524 /nfs/dbraw/zinc/40/05/24/838400524.db2.gz RKJONTUAAPKJTA-GOSISDBHSA-N 0 0 385.807 3.943 10 5 GHBERN CC(=O)c1ccc(N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c([N+](=O)[O-])c1 ZINC000302202662 861239371 /nfs/dbraw/zinc/23/93/71/861239371.db2.gz TXCXLZRWWCJRLL-SFHVURJKSA-N 0 0 385.395 3.842 10 5 GHBERN C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(F)cc2)no1 ZINC000109576464 841957310 /nfs/dbraw/zinc/95/73/10/841957310.db2.gz MYUBFQQOLVHYEC-SECBINFHSA-N 0 0 390.758 3.928 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1nccn1C)c1cccc(F)c1 ZINC000588435940 842561409 /nfs/dbraw/zinc/56/14/09/842561409.db2.gz SIMJIKFGJQCSTA-IFMUVIIVSA-N 0 0 394.406 3.777 10 5 GHBERN CCCCCNC(=O)C1CCN(C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000588444109 842792326 /nfs/dbraw/zinc/79/23/26/842792326.db2.gz RAEZXOFIABFINU-NXVVXOECSA-N 0 0 387.480 3.543 10 5 GHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OC[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000588448194 843163497 /nfs/dbraw/zinc/16/34/97/843163497.db2.gz NSCVADJAUYUJJI-HKBKRHGFSA-N 0 0 380.400 3.594 10 5 GHBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC(Nc2ccccc2F)CC1 ZINC000174070304 857204869 /nfs/dbraw/zinc/20/48/69/857204869.db2.gz NLRHBUYZHRKVAF-UHFFFAOYSA-N 0 0 387.411 3.606 10 5 GHBERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000101738174 872225874 /nfs/dbraw/zinc/22/58/74/872225874.db2.gz DMDWJAYEQFIJGX-LBPRGKRZSA-N 0 0 396.875 3.653 10 5 GHBERN Nc1ccc([N+](=O)[O-])c(N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c1 ZINC000193433005 886107066 /nfs/dbraw/zinc/10/70/66/886107066.db2.gz YOCFSRWFVGAURX-UHFFFAOYSA-N 0 0 379.338 3.694 10 5 GHBERN Cc1nc([C@@H]2CCCN2CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cs1 ZINC000189652988 908361053 /nfs/dbraw/zinc/36/10/53/908361053.db2.gz PTFUXYSXLFMRJI-INIZCTEOSA-N 0 0 378.429 3.665 10 5 GHBERN CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000190152125 908439721 /nfs/dbraw/zinc/43/97/21/908439721.db2.gz IPPUEICCKVYIPJ-IAGOWNOFSA-N 0 0 384.392 3.508 10 5 GHBERN CC(C)(C)OC(=O)N1CCC[C@@H](COc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000095085403 222330072 /nfs/dbraw/zinc/33/00/72/222330072.db2.gz SYEMDZNCPJSQDN-GFCCVEGCSA-N 0 0 377.397 3.762 10 5 GHBERN CC(C)(C)OC(=O)N1CCC[C@@H](COc2cnc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000095085407 222330543 /nfs/dbraw/zinc/33/05/43/222330543.db2.gz CBXOPBMQIRBKJO-CYBMUJFWSA-N 0 0 388.424 3.564 10 5 GHBERN