smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(CN2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cc1[N+](=O)[O-] ZINC000826288188 947837592 /nfs/dbraw/zinc/83/75/92/947837592.db2.gz VHVKTDSXTHWOKO-UHFFFAOYSA-N 0 1 394.435 3.127 20 5 GGBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)cc1OC ZINC000568074575 953642832 /nfs/dbraw/zinc/64/28/32/953642832.db2.gz MQRHOYOSBFBUAL-DJJJIMSYSA-N 0 1 380.441 3.325 20 5 GGBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](C(=O)[O-])C2)cc1OC ZINC000593742466 953754688 /nfs/dbraw/zinc/75/46/88/953754688.db2.gz MTRMNEAAJXVVEJ-KGLIPLIRSA-N 0 1 380.441 3.325 20 5 GGBDMN O=C([O-])[C@@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001594844392 954121377 /nfs/dbraw/zinc/12/13/77/954121377.db2.gz ZMJIFSQMAQXYMM-AWEZNQCLSA-N 0 1 383.173 3.412 20 5 GGBDMN C[N@@H+](CCC(=O)[O-])[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC001593736871 954342669 /nfs/dbraw/zinc/34/26/69/954342669.db2.gz AOWGITSKWHNRJI-KRWDZBQOSA-N 0 1 391.811 3.335 20 5 GGBDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001593755329 954447090 /nfs/dbraw/zinc/44/70/90/954447090.db2.gz HKIBCLYEQJVCTL-INIZCTEOSA-N 0 1 387.436 3.163 20 5 GGBDMN C[C@@]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)(C(=O)[O-])c1ccccc1 ZINC001589131523 956198093 /nfs/dbraw/zinc/19/80/93/956198093.db2.gz REBQWCSOIRHTQB-INIZCTEOSA-N 0 1 379.210 3.447 20 5 GGBDMN O=C([O-])/C=C/c1ccc(NCc2ccccc2C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000013212516 956981725 /nfs/dbraw/zinc/98/17/25/956981725.db2.gz OTFQLKVIIUUSRD-SOFGYWHQSA-N 0 1 397.431 3.137 20 5 GGBDMN O=C([O-])/C=C/c1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)c([N+](=O)[O-])c1 ZINC000013212535 956981897 /nfs/dbraw/zinc/98/18/97/956981897.db2.gz CGEAIPWLZGHBMD-SOFGYWHQSA-N 0 1 397.431 3.137 20 5 GGBDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC001604180833 972604542 /nfs/dbraw/zinc/60/45/42/972604542.db2.gz XHBMVKFYZBKGDS-UHFFFAOYSA-N 0 1 387.436 3.163 20 5 GGBDMN CC[C@]1(C(=O)[O-])CCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001603609642 973875347 /nfs/dbraw/zinc/87/53/47/973875347.db2.gz LOXBLIIDVWXWMP-GTNSWQLSSA-N 0 1 383.832 3.152 20 5 GGBDMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001603609642 973875353 /nfs/dbraw/zinc/87/53/53/973875353.db2.gz LOXBLIIDVWXWMP-GTNSWQLSSA-N 0 1 383.832 3.152 20 5 GGBDMN Cc1nc(C[NH+]2CCC(CNc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)oc1C ZINC000517032585 974313848 /nfs/dbraw/zinc/31/38/48/974313848.db2.gz CJFDBJFUZRYYII-UHFFFAOYSA-N 0 1 388.424 3.222 20 5 GGBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1 ZINC000563204278 974519358 /nfs/dbraw/zinc/51/93/58/974519358.db2.gz APOANNVUQFAIMN-HNNXBMFYSA-N 0 1 384.436 3.097 20 5 GGBDMN O=C([O-])c1ccc([N+](=O)[O-])c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000563205122 974519703 /nfs/dbraw/zinc/51/97/03/974519703.db2.gz KGKUHZWLRWTKHJ-MQVJKMGUSA-N 0 1 382.420 3.296 20 5 GGBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000563538163 974536039 /nfs/dbraw/zinc/53/60/39/974536039.db2.gz RVWMCGSYTVGMAD-HNNXBMFYSA-N 0 1 390.484 3.477 20 5 GGBDMN O=C([O-])CC[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCOCC1 ZINC000564969844 974560517 /nfs/dbraw/zinc/56/05/17/974560517.db2.gz CREDAOLCWSSTOM-UHFFFAOYSA-N 0 1 391.449 3.174 20 5 GGBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000566072400 974593476 /nfs/dbraw/zinc/59/34/76/974593476.db2.gz YSUQQQNVHXVEQS-CQSZACIVSA-N 0 1 398.463 3.262 20 5 GGBDMN CC(C)c1ccc(C[NH+]2CCN(c3nccc(C(=O)[O-])c3[N+](=O)[O-])CC2)cc1 ZINC000569247752 974687872 /nfs/dbraw/zinc/68/78/72/974687872.db2.gz BSWKTCHJCGMYMQ-UHFFFAOYSA-N 0 1 384.436 3.134 20 5 GGBDMN O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000569490067 974693010 /nfs/dbraw/zinc/69/30/10/974693010.db2.gz XVGZHDXZEZDKNU-UHFFFAOYSA-N 0 1 396.447 3.181 20 5 GGBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000571093487 974722880 /nfs/dbraw/zinc/72/28/80/974722880.db2.gz PNUSCWPSUSJTGG-UHFFFAOYSA-N 0 1 398.463 3.345 20 5 GGBDMN COc1cc(C[N@@H+](C)C2(C(=O)[O-])CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000573817628 974771592 /nfs/dbraw/zinc/77/15/92/974771592.db2.gz QZBREPVGBFJNPY-UHFFFAOYSA-N 0 1 388.367 3.077 20 5 GGBDMN O=C([O-])c1ccnc(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000575062452 974794723 /nfs/dbraw/zinc/79/47/23/974794723.db2.gz MMXRGKBMGLPLIQ-WMZOPIPTSA-N 0 1 396.447 3.179 20 5 GGBDMN C[C@H]1C[C@H](CCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000577183283 974830183 /nfs/dbraw/zinc/83/01/83/974830183.db2.gz WZWMWLLRJYZWOM-HOCLYGCPSA-N 0 1 384.436 3.401 20 5 GGBDMN C[C@H]1CCCC[N@H+]1CCC1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000578536757 974857321 /nfs/dbraw/zinc/85/73/21/974857321.db2.gz MDSOAFDYTQDQDO-AWEZNQCLSA-N 0 1 376.457 3.169 20 5 GGBDMN O=C([O-])CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)c(F)c1 ZINC000579133046 974869431 /nfs/dbraw/zinc/86/94/31/974869431.db2.gz UCOXEGWENQMCEB-UHFFFAOYSA-N 0 1 380.347 3.229 20 5 GGBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000582362302 974924965 /nfs/dbraw/zinc/92/49/65/974924965.db2.gz DDGSAOJHRUPAOW-OAQYLSRUSA-N 0 1 396.447 3.099 20 5 GGBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000593735909 974984475 /nfs/dbraw/zinc/98/44/75/974984475.db2.gz QYTXXODGIITXGJ-INIZCTEOSA-N 0 1 384.388 3.401 20 5 GGBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000593735909 974984480 /nfs/dbraw/zinc/98/44/80/974984480.db2.gz QYTXXODGIITXGJ-INIZCTEOSA-N 0 1 384.388 3.401 20 5 GGBDMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000593741494 974985147 /nfs/dbraw/zinc/98/51/47/974985147.db2.gz CRQFZEKSPFBPJP-KRWDZBQOSA-N 0 1 386.404 3.186 20 5 GGBDMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000593741494 974985152 /nfs/dbraw/zinc/98/51/52/974985152.db2.gz CRQFZEKSPFBPJP-KRWDZBQOSA-N 0 1 386.404 3.186 20 5 GGBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1 ZINC000593741920 974986973 /nfs/dbraw/zinc/98/69/73/974986973.db2.gz SUQMHZLMUAGKQR-QWFCFKBJSA-N 0 1 382.416 3.298 20 5 GGBDMN CCOc1cc(C[N@@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000593747106 974987008 /nfs/dbraw/zinc/98/70/08/974987008.db2.gz SCFQHENQRBEAAM-UHFFFAOYSA-N 0 1 380.347 3.359 20 5 GGBDMN C[C@@](CC(=O)[O-])([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1ccccn1 ZINC001592328376 977747627 /nfs/dbraw/zinc/74/76/27/977747627.db2.gz LGQHBXYPFMZCRL-INIZCTEOSA-N 0 1 394.225 3.232 20 5 GGBDMN C[C@@H]1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000844212077 979368062 /nfs/dbraw/zinc/36/80/62/979368062.db2.gz QIUJLJLUIMTZPG-MRXNPFEDSA-N 0 1 383.448 3.323 20 5 GGBDMN CCC(CC)[C@H](CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])[NH+]1CCOCC1 ZINC001595105893 979426843 /nfs/dbraw/zinc/42/68/43/979426843.db2.gz FHQRCRYVZOMDOP-INIZCTEOSA-N 0 1 399.875 3.495 20 5 GGBDMN Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000864172272 979803958 /nfs/dbraw/zinc/80/39/58/979803958.db2.gz RFXCODQPOKXPSC-IEBWSBKVSA-N 0 1 395.415 3.050 20 5 GGBDMN O=C([O-])[C@]1(c2ccccc2)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000901826607 980546412 /nfs/dbraw/zinc/54/64/12/980546412.db2.gz ITGBHGDKDYKGOF-LJQANCHMSA-N 0 1 392.358 3.425 20 5 GGBDMN O=C([O-])[C@]12C[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@H]1COCC2 ZINC000901952852 980648736 /nfs/dbraw/zinc/64/87/36/980648736.db2.gz YVEFTJGZOMTBOH-ORAYPTAESA-N 0 1 388.445 3.246 20 5 GGBDMN CO[C@@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC000902031718 980703382 /nfs/dbraw/zinc/70/33/82/980703382.db2.gz LFBQMHRQBZTIOE-YLJYHZDGSA-N 0 1 399.447 3.427 20 5 GGBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]3C[C@@]32C(=O)[O-])cc1OC ZINC001594964481 982719095 /nfs/dbraw/zinc/71/90/95/982719095.db2.gz JJJYHYBKMYDQLR-AGKSTNPPSA-N 0 1 392.452 3.467 20 5 GGBDMN CCC[N@@H+](Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC001595899826 982949701 /nfs/dbraw/zinc/94/97/01/982949701.db2.gz NWOPZCDCDYBODP-NIKGAXFTSA-N 0 1 392.452 3.084 20 5 GGBDMN CCN(CC)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001596250077 983654158 /nfs/dbraw/zinc/65/41/58/983654158.db2.gz MINLEOCBLSVGIO-MRXNPFEDSA-N 0 1 393.440 3.126 20 5 GGBDMN CCN(CC)C(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001596250077 983654160 /nfs/dbraw/zinc/65/41/60/983654160.db2.gz MINLEOCBLSVGIO-MRXNPFEDSA-N 0 1 393.440 3.126 20 5 GGBDMN CCOCCC[N@H+]1CC[C@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC001596917456 985961643 /nfs/dbraw/zinc/96/16/43/985961643.db2.gz WYLFPHURNKTHBS-AKTONZINSA-N 0 1 391.468 3.242 20 5 GGBDMN C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC001594543838 986196343 /nfs/dbraw/zinc/19/63/43/986196343.db2.gz BSTBAKOLFKDDBB-INIZCTEOSA-N 0 1 383.448 3.247 20 5 GGBDMN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC001589430736 986721295 /nfs/dbraw/zinc/72/12/95/986721295.db2.gz BZRIRAQHYQMFSI-NSHDSACASA-N 0 1 391.811 3.405 20 5 GGBDMN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC001589430736 986721304 /nfs/dbraw/zinc/72/13/04/986721304.db2.gz BZRIRAQHYQMFSI-NSHDSACASA-N 0 1 391.811 3.405 20 5 GGBDMN CN(C(=O)C[NH2+][C@@H](C(=O)[O-])c1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001598025790 990236508 /nfs/dbraw/zinc/23/65/08/990236508.db2.gz WVUZNXSSNGQHAD-HXUWFJFHSA-N 0 1 393.399 3.126 20 5 GGBDMN CN(C(=O)C[NH2+][C@H](C(=O)[O-])c1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001598025788 990236682 /nfs/dbraw/zinc/23/66/82/990236682.db2.gz WVUZNXSSNGQHAD-FQEVSTJZSA-N 0 1 393.399 3.126 20 5 GGBDMN C[N@@H+]1CC=C(CNc2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001598577586 993301205 /nfs/dbraw/zinc/30/12/05/993301205.db2.gz DILIGVNTOVQPMZ-UHFFFAOYSA-N 0 1 395.415 3.198 20 5 GGBDMN C[N@H+]1CCC[C@@H](CNc2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001598591869 993446209 /nfs/dbraw/zinc/44/62/09/993446209.db2.gz DYQPDIKCPBKQTB-AWEZNQCLSA-N 0 1 397.431 3.278 20 5 GGBDMN COc1cc(F)c([C@@H](C)[NH2+]Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1OC ZINC001599425111 997660234 /nfs/dbraw/zinc/66/02/34/997660234.db2.gz DHCGXXCZDZABRD-SNVBAGLBSA-N 0 1 378.356 3.300 20 5 GGBDMN COc1ccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)[O-])cc1Cl ZINC001599531386 997660356 /nfs/dbraw/zinc/66/03/56/997660356.db2.gz LEIMMEPGGGSDMH-HNNXBMFYSA-N 0 1 395.755 3.081 20 5 GGBDMN COc1c(O)ccc(C[N@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC001599344243 997974482 /nfs/dbraw/zinc/97/44/82/997974482.db2.gz FXMWVWUJAPWTSV-UHFFFAOYSA-N 0 1 396.346 3.064 20 5 GGBDMN COc1c(O)ccc(C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC001599344243 997974492 /nfs/dbraw/zinc/97/44/92/997974492.db2.gz FXMWVWUJAPWTSV-UHFFFAOYSA-N 0 1 396.346 3.064 20 5 GGBDMN COc1ccc(C[N@H+]2CC[C@H]2CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001599561049 998195767 /nfs/dbraw/zinc/19/57/67/998195767.db2.gz CCTIWQWTKHXNRV-MPNRVQBSSA-N 0 1 397.431 3.388 20 5 GGBDMN COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC001599462466 998297217 /nfs/dbraw/zinc/29/72/17/998297217.db2.gz UTZCIIRENLEZER-AWEZNQCLSA-N 0 1 385.420 3.012 20 5 GGBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC001599462466 998297226 /nfs/dbraw/zinc/29/72/26/998297226.db2.gz UTZCIIRENLEZER-AWEZNQCLSA-N 0 1 385.420 3.012 20 5 GGBDMN COC(=O)c1ccc(Cl)c(C[NH2+][C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC001598976407 998604337 /nfs/dbraw/zinc/60/43/37/998604337.db2.gz VQMNYMNADRGAPB-GOSISDBHSA-N 0 1 392.795 3.124 20 5 GGBDMN COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](Cc2ccccc2)C[C@@H](C)C(=O)[O-])c1 ZINC001598988046 998712283 /nfs/dbraw/zinc/71/22/83/998712283.db2.gz NOGCTRHHHBYFAE-CQSZACIVSA-N 0 1 386.404 3.104 20 5 GGBDMN C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001594215271 998828923 /nfs/dbraw/zinc/82/89/23/998828923.db2.gz RELQANYZSKGTRJ-ZYHUDNBSSA-N 0 1 376.331 3.221 20 5 GGBDMN C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001594215271 998828927 /nfs/dbraw/zinc/82/89/27/998828927.db2.gz RELQANYZSKGTRJ-ZYHUDNBSSA-N 0 1 376.331 3.221 20 5 GGBDMN C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594297400 999147074 /nfs/dbraw/zinc/14/70/74/999147074.db2.gz WXJACUKWTNBMJM-GXTWGEPZSA-N 0 1 378.425 3.235 20 5 GGBDMN C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594297401 999147203 /nfs/dbraw/zinc/14/72/03/999147203.db2.gz WXJACUKWTNBMJM-JSGCOSHPSA-N 0 1 378.425 3.235 20 5 GGBDMN CC(C)c1cnc(C[NH2+][C@@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])s1 ZINC000417572469 1126080765 /nfs/dbraw/zinc/08/07/65/1126080765.db2.gz ZCJWKKKBSRWDRA-HNNXBMFYSA-N 0 1 388.449 3.442 20 5 GGBDMN COc1ccc([C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)N2CCCCC2)cc1 ZINC000005689749 204147012 /nfs/dbraw/zinc/14/70/12/204147012.db2.gz MAEJNZDTQSSYQV-HXUWFJFHSA-N 0 1 398.463 3.143 20 5 GGBDMN CC(C)OC(=O)C[C@H](NC(=O)c1n[nH]c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000010737642 204338727 /nfs/dbraw/zinc/33/87/27/204338727.db2.gz VVUUNCQECGCVDN-INIZCTEOSA-N 0 1 396.403 3.284 20 5 GGBDMN O=C(NCc1cccnc1OC1CCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000040089415 205050810 /nfs/dbraw/zinc/05/08/10/205050810.db2.gz YEDIWIWGFIIMBT-UHFFFAOYSA-N 0 1 381.392 3.118 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)cc1 ZINC000067659722 205252942 /nfs/dbraw/zinc/25/29/42/205252942.db2.gz ASAGKQPJPIZNCB-UHFFFAOYSA-N 0 1 375.328 3.370 20 5 GGBDMN CN1CCN(c2ccc(Cl)cc2NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000117234190 564224621 /nfs/dbraw/zinc/22/46/21/564224621.db2.gz GAHYJEGYHUKGJK-UHFFFAOYSA-N 0 1 380.857 3.314 20 5 GGBDMN Cc1cncc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000120902880 564342188 /nfs/dbraw/zinc/34/21/88/564342188.db2.gz BYYUAKOLBPVOMF-UHFFFAOYSA-N 0 1 376.221 3.084 20 5 GGBDMN COc1cc(S(=O)(=O)Nc2cc(Cl)ccc2N(C)C)ccc1[N+](=O)[O-] ZINC000121354131 564366070 /nfs/dbraw/zinc/36/60/70/564366070.db2.gz RMPHUVOABFMVGM-UHFFFAOYSA-N 0 1 385.829 3.124 20 5 GGBDMN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc(Br)o1 ZINC000030217583 564377692 /nfs/dbraw/zinc/37/76/92/564377692.db2.gz HYDMDANXVBWUOK-UHFFFAOYSA-N 0 1 382.214 3.411 20 5 GGBDMN Cc1c(Cl)cc(S(=O)(=O)NC[C@H](C)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000032441041 564400360 /nfs/dbraw/zinc/40/03/60/564400360.db2.gz DMKKEKOEBGSPSG-RYUDHWBXSA-N 0 1 389.905 3.098 20 5 GGBDMN O=C(NCc1csc(Br)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000042079145 564441656 /nfs/dbraw/zinc/44/16/56/564441656.db2.gz VKJUNQRVIUAHEI-UHFFFAOYSA-N 0 1 381.211 3.225 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1cc(Br)cs1 ZINC000123730306 564459556 /nfs/dbraw/zinc/45/95/56/564459556.db2.gz BSIOIYNXMUDDGD-UHFFFAOYSA-N 0 1 395.231 3.036 20 5 GGBDMN COc1cc(S(=O)(=O)Nc2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000124349825 564479708 /nfs/dbraw/zinc/47/97/08/564479708.db2.gz MLCWBUSLYZOGHP-UHFFFAOYSA-N 0 1 387.211 3.167 20 5 GGBDMN COc1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000124374253 564480371 /nfs/dbraw/zinc/48/03/71/564480371.db2.gz YFGBXOSBMFDIKL-UHFFFAOYSA-N 0 1 376.312 3.423 20 5 GGBDMN COc1cc(F)c(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1F ZINC000126439144 564549602 /nfs/dbraw/zinc/54/96/02/564549602.db2.gz XADVQFODQXSUFB-UHFFFAOYSA-N 0 1 378.740 3.336 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1ccccc1Br ZINC000128187873 564609538 /nfs/dbraw/zinc/60/95/38/564609538.db2.gz WSPJZYLSCLHXPW-UHFFFAOYSA-N 0 1 375.175 3.297 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1ccc(Br)cc1F ZINC000128196027 564610265 /nfs/dbraw/zinc/61/02/65/564610265.db2.gz PDXBYDUPVWIVBB-UHFFFAOYSA-N 0 1 393.165 3.436 20 5 GGBDMN COCCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000055588866 564625426 /nfs/dbraw/zinc/62/54/26/564625426.db2.gz BLCUZMTXPRFNKD-UHFFFAOYSA-N 0 1 386.813 3.074 20 5 GGBDMN CC(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000058495105 564684000 /nfs/dbraw/zinc/68/40/00/564684000.db2.gz IEJNQBGFAYANQP-UHFFFAOYSA-N 0 1 383.813 3.316 20 5 GGBDMN CC(=O)Nc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)ccc1Cl ZINC000063443802 564717816 /nfs/dbraw/zinc/71/78/16/564717816.db2.gz SUSXXCUFZLFMIF-UHFFFAOYSA-N 0 1 383.813 3.316 20 5 GGBDMN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3CCCS3(=O)=O)o2)c(Cl)c1 ZINC000131769572 564723014 /nfs/dbraw/zinc/72/30/14/564723014.db2.gz JQJDVZNTVZMAPM-ZDUSSCGKSA-N 0 1 384.841 3.175 20 5 GGBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ncccc2Br)cc1C ZINC000132342399 564741013 /nfs/dbraw/zinc/74/10/13/564741013.db2.gz DEYXLRIEINQBOM-UHFFFAOYSA-N 0 1 386.227 3.170 20 5 GGBDMN O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)c1n[nH]cc1[N+](=O)[O-] ZINC000134202944 564796191 /nfs/dbraw/zinc/79/61/91/564796191.db2.gz ORNSZLPXCSTNJK-UHFFFAOYSA-N 0 1 379.587 3.087 20 5 GGBDMN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1 ZINC000134456436 564803548 /nfs/dbraw/zinc/80/35/48/564803548.db2.gz GKCOMAOBTPJPAQ-SNVBAGLBSA-N 0 1 375.376 3.146 20 5 GGBDMN O=[N+]([O-])c1cc(CN[C@@]2(CO)CCc3ccccc32)ccc1Br ZINC000135907061 564842789 /nfs/dbraw/zinc/84/27/89/564842789.db2.gz CRUFOHXRTUFSDG-QGZVFWFLSA-N 0 1 377.238 3.281 20 5 GGBDMN CN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000070690682 564849915 /nfs/dbraw/zinc/84/99/15/564849915.db2.gz GRSGTPCXSCCETL-UHFFFAOYSA-N 0 1 380.857 3.314 20 5 GGBDMN C[C@@H](CN1CCN(C)CC1)Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000078604257 564863763 /nfs/dbraw/zinc/86/37/63/564863763.db2.gz LGJPHZCENHPACB-JTQLQIEISA-N 0 1 380.798 3.315 20 5 GGBDMN CC[C@@](C)(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nccs1 ZINC000151496239 564923361 /nfs/dbraw/zinc/92/33/61/564923361.db2.gz FJKMSTGHFWCXRN-CYBMUJFWSA-N 0 1 375.859 3.308 20 5 GGBDMN CC(C)(C)c1csc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000104756033 564959213 /nfs/dbraw/zinc/95/92/13/564959213.db2.gz YQNDNXLSRTYVNI-UHFFFAOYSA-N 0 1 389.886 3.481 20 5 GGBDMN CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000106008746 564976082 /nfs/dbraw/zinc/97/60/82/564976082.db2.gz QHIMTKGGKYDLAP-UHFFFAOYSA-N 0 1 383.813 3.316 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2csnn2)cc1 ZINC000108703533 565015624 /nfs/dbraw/zinc/01/56/24/565015624.db2.gz FSABSNMXJKYQCZ-UHFFFAOYSA-N 0 1 376.419 3.223 20 5 GGBDMN Cc1ccncc1NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000154034810 565022968 /nfs/dbraw/zinc/02/29/68/565022968.db2.gz FLZWGIPSJLGXFO-UHFFFAOYSA-N 0 1 386.227 3.170 20 5 GGBDMN O=[N+]([O-])c1cc(I)ccc1N1CCC(c2ccn[nH]2)CC1 ZINC000110414591 565040050 /nfs/dbraw/zinc/04/00/50/565040050.db2.gz YQMYOQDLMFNLIR-UHFFFAOYSA-N 0 1 398.204 3.307 20 5 GGBDMN CCc1nc([C@@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cs1 ZINC000111363220 565053337 /nfs/dbraw/zinc/05/33/37/565053337.db2.gz FKGOMRRECPCDSB-MRVPVSSYSA-N 0 1 375.859 3.307 20 5 GGBDMN O=[N+]([O-])c1cnn(CCN2CCC(Oc3cccc(Br)c3)CC2)c1 ZINC000183824188 565096564 /nfs/dbraw/zinc/09/65/64/565096564.db2.gz JRRJDBZOHXAHKW-UHFFFAOYSA-N 0 1 395.257 3.097 20 5 GGBDMN O=[N+]([O-])c1ccn(CCN2CCC(Oc3cccc(Br)c3)CC2)n1 ZINC000183823994 565097270 /nfs/dbraw/zinc/09/72/70/565097270.db2.gz SKIZEHXNVARQSF-UHFFFAOYSA-N 0 1 395.257 3.097 20 5 GGBDMN O=C(CSc1n[nH]c(=S)s1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269113107 565179135 /nfs/dbraw/zinc/17/91/35/565179135.db2.gz LBXZZKQSXONBDE-UHFFFAOYSA-N 0 1 382.492 3.018 20 5 GGBDMN Cc1[nH]nc(C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)c1[N+](=O)[O-] ZINC000293814575 565185505 /nfs/dbraw/zinc/18/55/05/565185505.db2.gz DVCIXPOKTTVHER-GFCCVEGCSA-N 0 1 393.241 3.094 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)c1[N+](=O)[O-] ZINC000269538062 565194451 /nfs/dbraw/zinc/19/44/51/565194451.db2.gz UQICHOUBLNPXQG-UHFFFAOYSA-N 0 1 377.348 3.189 20 5 GGBDMN COc1cc(Br)cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000185554762 565207529 /nfs/dbraw/zinc/20/75/29/565207529.db2.gz LBYPNYWHZXTLJH-UHFFFAOYSA-N 0 1 387.211 3.167 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000185674980 565215722 /nfs/dbraw/zinc/21/57/22/565215722.db2.gz YQBKDTYOJCYCQR-ZDUSSCGKSA-N 0 1 380.857 3.464 20 5 GGBDMN O=C(NCCCCSc1ccccc1Br)c1n[nH]cc1[N+](=O)[O-] ZINC000159985559 565226498 /nfs/dbraw/zinc/22/64/98/565226498.db2.gz VXIGUCMMHBQTSQ-UHFFFAOYSA-N 0 1 399.270 3.383 20 5 GGBDMN CS(=O)(=O)c1cc([N+](=O)[O-])c(NC2CCN(C3CCCCC3)CC2)s1 ZINC000271344214 565248677 /nfs/dbraw/zinc/24/86/77/565248677.db2.gz GPBVPCSUDRHSIL-UHFFFAOYSA-N 0 1 387.527 3.269 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCSc3ccccc32)cc1 ZINC000272894260 565300585 /nfs/dbraw/zinc/30/05/85/565300585.db2.gz BHQCPBQUOVRTNJ-INIZCTEOSA-N 0 1 378.475 3.195 20 5 GGBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000162680224 565324867 /nfs/dbraw/zinc/32/48/67/565324867.db2.gz AVKRFMGQYUSMLI-GWCFXTLKSA-N 0 1 395.264 3.138 20 5 GGBDMN O=C(NCC1(c2ccc(Br)cc2)CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000162806555 565329283 /nfs/dbraw/zinc/32/92/83/565329283.db2.gz BFDUGZVRXHYTCW-UHFFFAOYSA-N 0 1 393.241 3.322 20 5 GGBDMN C[C@H]1CC(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000162890006 565330549 /nfs/dbraw/zinc/33/05/49/565330549.db2.gz GWSLKLGBIKNOPY-YUMQZZPRSA-N 0 1 383.253 3.136 20 5 GGBDMN O=C(N[C@@H](CC1CC1)c1cc(F)cc(Br)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000187766383 565353383 /nfs/dbraw/zinc/35/33/83/565353383.db2.gz XJQMUHBILPDTAA-LBPRGKRZSA-N 0 1 397.204 3.491 20 5 GGBDMN O=C(N[C@H](CC1CC1)c1cc(F)cc(Br)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000187766364 565353479 /nfs/dbraw/zinc/35/34/79/565353479.db2.gz XJQMUHBILPDTAA-GFCCVEGCSA-N 0 1 397.204 3.491 20 5 GGBDMN Cc1[nH]ncc1CCCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000164065011 565354766 /nfs/dbraw/zinc/35/47/66/565354766.db2.gz ILHZTVWWAPCAQC-UHFFFAOYSA-N 0 1 381.230 3.060 20 5 GGBDMN O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000188056230 565374756 /nfs/dbraw/zinc/37/47/56/565374756.db2.gz KLRAQJDMARCBDE-JTQLQIEISA-N 0 1 384.223 3.024 20 5 GGBDMN CC(C)[C@@H](CNc1ccc(Br)cc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000301072465 565462386 /nfs/dbraw/zinc/46/23/86/565462386.db2.gz HAOPVTZQIBHFSC-MRXNPFEDSA-N 0 1 385.306 3.041 20 5 GGBDMN Cc1cc(S(=O)(=O)Nc2ccc(OC(F)F)c(F)c2)ccc1[N+](=O)[O-] ZINC000172182996 565470786 /nfs/dbraw/zinc/47/07/86/565470786.db2.gz XLNILVPFGBDSSO-UHFFFAOYSA-N 0 1 376.312 3.445 20 5 GGBDMN Cc1cc(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)CC2)n[nH]1 ZINC000277335079 565489808 /nfs/dbraw/zinc/48/98/08/565489808.db2.gz SAKWRXIYOVKSOI-UHFFFAOYSA-N 0 1 393.241 3.409 20 5 GGBDMN O=[N+]([O-])c1cnc(NCC2(N3CCCCC3)CCOCC2)c(Br)c1 ZINC000301535952 565493260 /nfs/dbraw/zinc/49/32/60/565493260.db2.gz MPQSYLLKXAJUGY-UHFFFAOYSA-N 0 1 399.289 3.199 20 5 GGBDMN COc1ccccc1[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])N(C)C ZINC000301671979 565503313 /nfs/dbraw/zinc/50/33/13/565503313.db2.gz FTYMGYNFLMKQEN-AWEZNQCLSA-N 0 1 395.257 3.476 20 5 GGBDMN COc1ccccc1[C@@H](CNc1c(Br)cncc1[N+](=O)[O-])N(C)C ZINC000301844260 565513513 /nfs/dbraw/zinc/51/35/13/565513513.db2.gz SAYGGYQGNGRJAI-CYBMUJFWSA-N 0 1 395.257 3.476 20 5 GGBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccc(Br)cc2[N+](=O)[O-])n[nH]1 ZINC000277822921 565522325 /nfs/dbraw/zinc/52/23/25/565522325.db2.gz LTSPWTMABGEDKS-RKDXNWHRSA-N 0 1 396.245 3.480 20 5 GGBDMN Cc1cc(NC[C@@H](C(C)C)N2CCN(C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302660881 565548662 /nfs/dbraw/zinc/54/86/62/565548662.db2.gz IGYGZBOZGPGFKW-KRWDZBQOSA-N 0 1 399.333 3.350 20 5 GGBDMN CCc1ccc([C@@H](COC)NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000173351202 565551258 /nfs/dbraw/zinc/55/12/58/565551258.db2.gz FWDRQTSJFQGKKN-GFCCVEGCSA-N 0 1 388.829 3.070 20 5 GGBDMN COc1ccc(NS(=O)(=O)c2ccccc2Br)cc1[N+](=O)[O-] ZINC000388692309 565551789 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CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000280030856 565647958 /nfs/dbraw/zinc/64/79/58/565647958.db2.gz KZJIXMJXEBFHHG-UHFFFAOYSA-N 0 1 376.316 3.202 20 5 GGBDMN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(Br)c(F)c2)c1 ZINC000174648270 565650216 /nfs/dbraw/zinc/65/02/16/565650216.db2.gz PYKBFFGSWOFXMP-UHFFFAOYSA-N 0 1 375.175 3.297 20 5 GGBDMN CCn1cc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2F)c([N+](=O)[O-])n1 ZINC000410418141 565684847 /nfs/dbraw/zinc/68/48/47/565684847.db2.gz KAZPOVHTUKBFPX-UHFFFAOYSA-N 0 1 383.188 3.058 20 5 GGBDMN O=C(CSc1n[nH]c(=S)s1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000176411606 565769163 /nfs/dbraw/zinc/76/91/63/565769163.db2.gz LGPCNNVMCQXPJL-UHFFFAOYSA-N 0 1 384.508 3.340 20 5 GGBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000331672916 565775401 /nfs/dbraw/zinc/77/54/01/565775401.db2.gz UZDAVJRHKLGCGH-GFCCVEGCSA-N 0 1 379.214 3.366 20 5 GGBDMN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000176721146 565797740 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C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Br)cc1F ZINC000285668172 565921162 /nfs/dbraw/zinc/92/11/62/565921162.db2.gz NFVVJNMAMIQYCM-SNVBAGLBSA-N 0 1 384.205 3.009 20 5 GGBDMN O=C(N[C@@H](c1cncc(Br)c1)C1CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000285796349 565927084 /nfs/dbraw/zinc/92/70/84/565927084.db2.gz VCJHHBSBSDYQFI-OAHLLOKOSA-N 0 1 392.209 3.339 20 5 GGBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H](C1CC1)C(F)(F)F ZINC000414459300 565936601 /nfs/dbraw/zinc/93/66/01/565936601.db2.gz ZJIOKHPWSDYHHV-JTQLQIEISA-N 0 1 392.277 3.233 20 5 GGBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H](C1CC1)C(F)(F)F ZINC000414459302 565937827 /nfs/dbraw/zinc/93/78/27/565937827.db2.gz ZJIOKHPWSDYHHV-SNVBAGLBSA-N 0 1 392.277 3.233 20 5 GGBDMN CC(C)(CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)S(C)(=O)=O ZINC000414515138 565945362 /nfs/dbraw/zinc/94/53/62/565945362.db2.gz KTNXCKRMOWKXHE-UHFFFAOYSA-N 0 1 383.495 3.021 20 5 GGBDMN C[C@H](NCC(=O)Nc1ccc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000180408990 566061931 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20 5 GGBDMN CC[C@@H](NCCN(C)S(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000181504457 566146034 /nfs/dbraw/zinc/14/60/34/566146034.db2.gz BOQASKGNIREMHK-OAHLLOKOSA-N 0 1 383.495 3.018 20 5 GGBDMN COc1cc([N+](=O)[O-])c(C(=O)Nc2nnc(C(F)F)s2)cc1SC ZINC000264009435 566204643 /nfs/dbraw/zinc/20/46/43/566204643.db2.gz OBXPOMYXTJROCF-UHFFFAOYSA-N 0 1 376.366 3.367 20 5 GGBDMN Cc1cc(Br)c(O)c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000182914104 566229295 /nfs/dbraw/zinc/22/92/95/566229295.db2.gz BSOKCGTWAJPSMM-UHFFFAOYSA-N 0 1 391.181 3.500 20 5 GGBDMN CCCc1[nH]nc(C(=O)Nc2cc(C)cc(Br)c2O)c1[N+](=O)[O-] ZINC000182930548 566230284 /nfs/dbraw/zinc/23/02/84/566230284.db2.gz NXFXZTJPUSUZQR-UHFFFAOYSA-N 0 1 383.202 3.299 20 5 GGBDMN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccsc1 ZINC000265741516 566241403 /nfs/dbraw/zinc/24/14/03/566241403.db2.gz CCBBBSKIZOLITL-AWEZNQCLSA-N 0 1 398.282 3.452 20 5 GGBDMN C[C@H](C[C@H]1CCCO1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462153655 566257610 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O=[N+]([O-])c1ccn(CCN2CCC[C@@H]2Cc2ccccc2Br)n1 ZINC000420980637 566332687 /nfs/dbraw/zinc/33/26/87/566332687.db2.gz XCICFLJQXMWSMS-CQSZACIVSA-N 0 1 379.258 3.261 20 5 GGBDMN CCCc1[nH]nc(C(=O)N(C)Cc2ccc(F)cc2Br)c1[N+](=O)[O-] ZINC000482798224 566334513 /nfs/dbraw/zinc/33/45/13/566334513.db2.gz QXHCACAHVRWRIQ-UHFFFAOYSA-N 0 1 399.220 3.444 20 5 GGBDMN C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000509763656 566336191 /nfs/dbraw/zinc/33/61/91/566336191.db2.gz BRTWNPVQMFNWMF-MRVPVSSYSA-N 0 1 376.221 3.336 20 5 GGBDMN CN(CCc1cccc(Br)c1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000462850673 566359789 /nfs/dbraw/zinc/35/97/89/566359789.db2.gz IYSFYVZNIDXUBQ-UHFFFAOYSA-N 0 1 379.210 3.378 20 5 GGBDMN CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000447072052 566383301 /nfs/dbraw/zinc/38/33/01/566383301.db2.gz GGKULIJJLYBEKH-LLVKDONJSA-N 0 1 393.241 3.366 20 5 GGBDMN Cc1ncc(CNCc2cc(I)cc([N+](=O)[O-])c2)s1 ZINC000576910386 566390062 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1413550708 /nfs/dbraw/zinc/55/07/08/1413550708.db2.gz BBUWSYSBMRFKTN-UHFFFAOYSA-N 0 1 390.484 3.260 20 5 GGBDMN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN[C@H]2CCS(=O)(=O)C2)cc1 ZINC000119890835 1413606788 /nfs/dbraw/zinc/60/67/88/1413606788.db2.gz TZWLPRDLZLIBGL-AWEZNQCLSA-N 0 1 396.852 3.317 20 5 GGBDMN CSCC[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1nnc2ccccn21 ZINC000119944558 1413627309 /nfs/dbraw/zinc/62/73/09/1413627309.db2.gz MVHUXJDAVKRKRR-MRXNPFEDSA-N 0 1 387.465 3.100 20 5 GGBDMN C[C@@H]1CN(c2ccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000120010414 1413652481 /nfs/dbraw/zinc/65/24/81/1413652481.db2.gz SPNVLAHXANKAOK-TXEJJXNPSA-N 0 1 397.478 3.071 20 5 GGBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cs1 ZINC000120089736 1413683981 /nfs/dbraw/zinc/68/39/81/1413683981.db2.gz AYLXRWCLESUWCQ-UHFFFAOYSA-N 0 1 375.431 3.443 20 5 GGBDMN CN(C)Cc1cc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)ccc1F ZINC000120150179 1413707154 /nfs/dbraw/zinc/70/71/54/1413707154.db2.gz CBHLYQPONGXCNA-UHFFFAOYSA-N 0 1 386.427 3.063 20 5 GGBDMN CC(C)NS(=O)(=O)Cc1ccccc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000120185861 1413723062 /nfs/dbraw/zinc/72/30/62/1413723062.db2.gz KWMHCJOHYXNARH-OAHLLOKOSA-N 0 1 391.493 3.273 20 5 GGBDMN CC(=O)N(Cc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1)C(C)C ZINC000120256296 1413755088 /nfs/dbraw/zinc/75/50/88/1413755088.db2.gz DICFSEWAAZFPDM-UHFFFAOYSA-N 0 1 397.478 3.214 20 5 GGBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cs1 ZINC000120271460 1413762249 /nfs/dbraw/zinc/76/22/49/1413762249.db2.gz AWXBBXNCLBLDQG-UHFFFAOYSA-N 0 1 398.853 3.355 20 5 GGBDMN COc1ccc(C[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000120464402 1413824038 /nfs/dbraw/zinc/82/40/38/1413824038.db2.gz CBFMEVUSPHHFKS-LBPRGKRZSA-N 0 1 381.392 3.206 20 5 GGBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CCN(c4ccccn4)C3)cs2)c1 ZINC000120524773 1413835486 /nfs/dbraw/zinc/83/54/86/1413835486.db2.gz IVPNRHSVPPKURM-OAHLLOKOSA-N 0 1 381.461 3.482 20 5 GGBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120801750 1413906986 /nfs/dbraw/zinc/90/69/86/1413906986.db2.gz APUNTTCVLZGRIQ-ZDUSSCGKSA-N 0 1 389.843 3.192 20 5 GGBDMN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120815224 1413912422 /nfs/dbraw/zinc/91/24/22/1413912422.db2.gz JGYQXDICVSQWEW-HNNXBMFYSA-N 0 1 398.467 3.189 20 5 GGBDMN CCCc1[nH]nc(C(=O)N2CCN(c3ccc(F)cc3Cl)CC2)c1[N+](=O)[O-] ZINC000120854521 1413927068 /nfs/dbraw/zinc/92/70/68/1413927068.db2.gz RGZAWGMCPXVDGD-UHFFFAOYSA-N 0 1 395.822 3.025 20 5 GGBDMN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120905431 1413943611 /nfs/dbraw/zinc/94/36/11/1413943611.db2.gz QWJGTCKGXPXCEG-ZDUSSCGKSA-N 0 1 394.435 3.020 20 5 GGBDMN CCc1ccc([C@H](COC)NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])o1 ZINC000120935790 1413952723 /nfs/dbraw/zinc/95/27/23/1413952723.db2.gz WEQPHALNHKKNKQ-AWEZNQCLSA-N 0 1 382.438 3.033 20 5 GGBDMN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120965978 1413962775 /nfs/dbraw/zinc/96/27/75/1413962775.db2.gz KVCIEFUKWJIZHL-LLVKDONJSA-N 0 1 375.816 3.264 20 5 GGBDMN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1cccc(F)c1 ZINC000121036595 1413985064 /nfs/dbraw/zinc/98/50/64/1413985064.db2.gz DBVSDQCWTMJXCQ-SFHVURJKSA-N 0 1 382.395 3.315 20 5 GGBDMN Cc1nn(CN2CCN(CCc3ccccc3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121073217 1413997117 /nfs/dbraw/zinc/99/71/17/1413997117.db2.gz YMBBJTMDMMQGFO-UHFFFAOYSA-N 0 1 379.464 3.071 20 5 GGBDMN COc1cccc([C@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])N2CCCC2)c1 ZINC000121139267 1414021737 /nfs/dbraw/zinc/02/17/37/1414021737.db2.gz WMKYYNMBNVCSDC-IBGZPJMESA-N 0 1 383.448 3.479 20 5 GGBDMN CC(C)(CNC(=O)c1n[nH]cc1[N+](=O)[O-])Sc1ccc(Br)cc1 ZINC000121338551 1414087946 /nfs/dbraw/zinc/08/79/46/1414087946.db2.gz KNAVEKLTTZXVGW-UHFFFAOYSA-N 0 1 399.270 3.381 20 5 GGBDMN O=C(c1ccc(CN2CCSCC2)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000121416834 1414114879 /nfs/dbraw/zinc/11/48/79/1414114879.db2.gz JDJBXSRMLYRSPP-UHFFFAOYSA-N 0 1 397.500 3.342 20 5 GGBDMN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(CN(C)C)c(F)c2)c1 ZINC000121860371 1414281828 /nfs/dbraw/zinc/28/18/28/1414281828.db2.gz ABRKQPKNCKAECD-UHFFFAOYSA-N 0 1 377.441 3.447 20 5 GGBDMN COc1cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1OC(F)F ZINC000122283807 1414411456 /nfs/dbraw/zinc/41/14/56/1414411456.db2.gz CLNPHSBEDIJNCS-CYBMUJFWSA-N 0 1 394.378 3.286 20 5 GGBDMN Cc1cc(NC(=O)N2CCC(CCCN3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000122370214 1414438015 /nfs/dbraw/zinc/43/80/15/1414438015.db2.gz RRQJRUDEMOBZJQ-UHFFFAOYSA-N 0 1 390.484 3.260 20 5 GGBDMN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)N1CCc2ccccc2C1 ZINC000122556385 1414499464 /nfs/dbraw/zinc/49/94/64/1414499464.db2.gz ZQHUFEJRDOJLQV-OAHLLOKOSA-N 0 1 390.443 3.320 20 5 GGBDMN CCN(C[C@H]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1)CC(F)(F)F ZINC000177636666 1428818302 /nfs/dbraw/zinc/81/83/02/1428818302.db2.gz CDAHSHQZFIIBIK-CYBMUJFWSA-N 0 1 385.390 3.108 20 5 GGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000122820408 1414573124 /nfs/dbraw/zinc/57/31/24/1414573124.db2.gz PWSBQJUNCDJBNL-CQSZACIVSA-N 0 1 399.451 3.346 20 5 GGBDMN C[C@@H](CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000122840099 1414578191 /nfs/dbraw/zinc/57/81/91/1414578191.db2.gz KAAOJTAYMAMJAR-HNNXBMFYSA-N 0 1 391.493 3.321 20 5 GGBDMN C[C@@H](CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000122840099 1414578194 /nfs/dbraw/zinc/57/81/94/1414578194.db2.gz KAAOJTAYMAMJAR-HNNXBMFYSA-N 0 1 391.493 3.321 20 5 GGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000122874393 1414586611 /nfs/dbraw/zinc/58/66/11/1414586611.db2.gz YZTSBMRNFNXAPE-GFCCVEGCSA-N 0 1 386.412 3.010 20 5 GGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000122878261 1414587145 /nfs/dbraw/zinc/58/71/45/1414587145.db2.gz PEOVIDNJEFEESN-UHFFFAOYSA-N 0 1 376.388 3.126 20 5 GGBDMN 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/nfs/dbraw/zinc/03/15/67/1415031567.db2.gz IFFRYXLXGAVILZ-UHFFFAOYSA-N 0 1 383.448 3.212 20 5 GGBDMN CN(C)[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(F)c1 ZINC000124804019 1415047532 /nfs/dbraw/zinc/04/75/32/1415047532.db2.gz JZPMLSKVEAEKNN-IBGZPJMESA-N 0 1 384.411 3.177 20 5 GGBDMN C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])cc2)C[C@@H](C)O1 ZINC000124921465 1415073508 /nfs/dbraw/zinc/07/35/08/1415073508.db2.gz XKQGWRMKLPCONQ-ZIAGYGMSSA-N 0 1 385.420 3.162 20 5 GGBDMN COc1cc(S(=O)(=O)Nc2ccc3nc(C4CC4)oc3c2)ccc1[N+](=O)[O-] ZINC000125106691 1415110351 /nfs/dbraw/zinc/11/03/51/1415110351.db2.gz RGOHBRHLNWSQEU-UHFFFAOYSA-N 0 1 389.389 3.423 20 5 GGBDMN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc(F)cc1 ZINC000125231542 1415135216 /nfs/dbraw/zinc/13/52/16/1415135216.db2.gz XGFLDPKVPAJGGU-SFHVURJKSA-N 0 1 382.395 3.315 20 5 GGBDMN COCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccc(C)o1 ZINC000125291580 1415154438 /nfs/dbraw/zinc/15/44/38/1415154438.db2.gz CLIXBAJQSJCZAJ-UHFFFAOYSA-N 0 1 375.425 3.282 20 5 GGBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000125308511 1415159127 /nfs/dbraw/zinc/15/91/27/1415159127.db2.gz PFFDHJCEUWIYKZ-DNVCBOLYSA-N 0 1 387.480 3.357 20 5 GGBDMN CCN(CC)[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000125435665 1415197249 /nfs/dbraw/zinc/19/72/49/1415197249.db2.gz ZYEPVGSYJGDKJX-XLIONFOSSA-N 0 1 397.479 3.086 20 5 GGBDMN COc1cccc(-c2cc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)n[nH]2)c1 ZINC000125826017 1415291268 /nfs/dbraw/zinc/29/12/68/1415291268.db2.gz IANZPMQBCKXOCV-UHFFFAOYSA-N 0 1 378.388 3.192 20 5 GGBDMN Cn1cc(N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)cn1 ZINC000126082478 1415353462 /nfs/dbraw/zinc/35/34/62/1415353462.db2.gz RUPKTTVRZKVBTO-UHFFFAOYSA-N 0 1 383.477 3.379 20 5 GGBDMN Cc1nc(-c2cccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)n[nH]1 ZINC000126869970 1415590133 /nfs/dbraw/zinc/59/01/33/1415590133.db2.gz DXNPCFBTBQNPJN-UHFFFAOYSA-N 0 1 393.812 3.143 20 5 GGBDMN CC(C)(C)OC(=O)NCCCOC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178067724 1428966812 /nfs/dbraw/zinc/96/68/12/1428966812.db2.gz YHGLTZYKDXGWCX-UHFFFAOYSA-N 0 1 393.484 3.491 20 5 GGBDMN CCCc1[nH]nc(C(=O)N(C)Cc2cccc(OC(F)(F)F)c2)c1[N+](=O)[O-] ZINC000127020706 1415640475 /nfs/dbraw/zinc/64/04/75/1415640475.db2.gz AGWHADLOROPIJT-UHFFFAOYSA-N 0 1 386.330 3.441 20 5 GGBDMN O=C(c1cc2ccccc2c2cccnc12)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178081345 1428973506 /nfs/dbraw/zinc/97/35/06/1428973506.db2.gz GXMMJGKOPPKCRK-KRWDZBQOSA-N 0 1 375.472 3.182 20 5 GGBDMN C[C@@H](Sc1nc(-c2cccnc2)n[nH]1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000127394634 1415764351 /nfs/dbraw/zinc/76/43/51/1415764351.db2.gz BAXJRCOPWVEAKD-SECBINFHSA-N 0 1 388.384 3.033 20 5 GGBDMN O=C(CC[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000127777289 1415848926 /nfs/dbraw/zinc/84/89/26/1415848926.db2.gz YAKPUZUQXKOWIZ-UHFFFAOYSA-N 0 1 397.431 3.224 20 5 GGBDMN COc1cccc(NC2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000127929114 1415876984 /nfs/dbraw/zinc/87/69/84/1415876984.db2.gz WZMSHHSSVNKWAN-UHFFFAOYSA-N 0 1 395.419 3.196 20 5 GGBDMN C[C@H]1Cc2cc(-c3ccc(CNC(=O)c4n[nH]cc4[N+](=O)[O-])cc3)ccc2O1 ZINC000128159586 1415928273 /nfs/dbraw/zinc/92/82/73/1415928273.db2.gz UOVJEHDNFIOTQM-LBPRGKRZSA-N 0 1 378.388 3.238 20 5 GGBDMN CC(C)CN1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2C1 ZINC000128654252 1416034649 /nfs/dbraw/zinc/03/46/49/1416034649.db2.gz KTUXUEJJSVGNNL-UHFFFAOYSA-N 0 1 375.450 3.367 20 5 GGBDMN COC[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccc(F)c(F)c1 ZINC000129942336 1416288610 /nfs/dbraw/zinc/28/86/10/1416288610.db2.gz IKBQICOXHBEETH-KRWDZBQOSA-N 0 1 397.353 3.318 20 5 GGBDMN O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])s1 ZINC000130086707 1416315236 /nfs/dbraw/zinc/31/52/36/1416315236.db2.gz KDKSIMVYEPKPJV-GFCCVEGCSA-N 0 1 397.338 3.313 20 5 GGBDMN COC(=O)C[C@H]1CSCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000130108192 1416319442 /nfs/dbraw/zinc/31/94/42/1416319442.db2.gz SHZIHAXJGOGJGZ-HNNXBMFYSA-N 0 1 376.434 3.335 20 5 GGBDMN CCc1ccc([C@@H](COC)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)o1 ZINC000130412691 1416373933 /nfs/dbraw/zinc/37/39/33/1416373933.db2.gz FMLXTKIOUKRAKF-MRXNPFEDSA-N 0 1 379.388 3.195 20 5 GGBDMN O=[N+]([O-])c1cc(CNC[C@@H]2CCCS2(=O)=O)ccc1Oc1ccc(F)cc1 ZINC000131816495 1416627159 /nfs/dbraw/zinc/62/71/59/1416627159.db2.gz RLIMWXDMQYEPJO-INIZCTEOSA-N 0 1 394.424 3.193 20 5 GGBDMN COc1ccccc1[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])N1CCCC1 ZINC000132367713 1416747119 /nfs/dbraw/zinc/74/71/19/1416747119.db2.gz JPCDKKFXYHQHNB-GOSISDBHSA-N 0 1 387.411 3.309 20 5 GGBDMN COc1cccc([C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])N2CCCC2)c1 ZINC000132395598 1416751407 /nfs/dbraw/zinc/75/14/07/1416751407.db2.gz BMSSALJUSVEEMJ-LJQANCHMSA-N 0 1 387.411 3.309 20 5 GGBDMN CCN(CC)S(=O)(=O)c1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178639928 1429127299 /nfs/dbraw/zinc/12/72/99/1429127299.db2.gz TYPSNUAKIPAYOI-OAHLLOKOSA-N 0 1 391.493 3.476 20 5 GGBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC000132720854 1416807919 /nfs/dbraw/zinc/80/79/19/1416807919.db2.gz XOFGRCCUHBXWBB-UHFFFAOYSA-N 0 1 382.395 3.166 20 5 GGBDMN COc1ccc2[nH]cc(C3=CCN(CCn4cc([N+](=O)[O-])ccc4=O)CC3)c2c1 ZINC000132725794 1416808432 /nfs/dbraw/zinc/80/84/32/1416808432.db2.gz XRMMKKUWSHLPDJ-UHFFFAOYSA-N 0 1 394.431 3.036 20 5 GGBDMN COc1cc(S(=O)(=O)Nc2cccc(-c3ncco3)c2)ccc1[N+](=O)[O-] ZINC000132823873 1416819745 /nfs/dbraw/zinc/81/97/45/1416819745.db2.gz IMZJCYTYQXMFBS-UHFFFAOYSA-N 0 1 375.362 3.059 20 5 GGBDMN Cc1[nH]c2ccccc2c1C1=CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000133024344 1416843189 /nfs/dbraw/zinc/84/31/89/1416843189.db2.gz VJGAJESPCJLCBT-UHFFFAOYSA-N 0 1 378.432 3.336 20 5 GGBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000178681065 1429139031 /nfs/dbraw/zinc/13/90/31/1429139031.db2.gz POCIORVXODDFAT-KBPBESRZSA-N 0 1 385.420 3.352 20 5 GGBDMN COc1cc(OC)cc(N2CC[C@@H](N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)c1 ZINC000178681381 1429139362 /nfs/dbraw/zinc/13/93/62/1429139362.db2.gz IVXOQCPKQMULIK-IFXJQAMLSA-N 0 1 399.447 3.377 20 5 GGBDMN Cc1ccc([C@H](C)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000133840190 1416974795 /nfs/dbraw/zinc/97/47/95/1416974795.db2.gz MMRLOLZWLYAWRP-AWEZNQCLSA-N 0 1 377.466 3.004 20 5 GGBDMN CCOC(=O)c1ccnc(NC[C@H](c2ccc(C)o2)N2CCCC2)c1[N+](=O)[O-] ZINC000133911593 1416993063 /nfs/dbraw/zinc/99/30/63/1416993063.db2.gz OHKAAIHXKHVSAP-OAHLLOKOSA-N 0 1 388.424 3.317 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)CC(=O)Nc1cccnc1Cl ZINC000178728135 1429153117 /nfs/dbraw/zinc/15/31/17/1429153117.db2.gz YOSHGNRVLXAQMY-LLVKDONJSA-N 0 1 378.816 3.159 20 5 GGBDMN CN(C(=O)CN(Cc1ccccc1)CC1(O)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000134334512 1417057010 /nfs/dbraw/zinc/05/70/10/1417057010.db2.gz RHBBLQRUHPBPDG-UHFFFAOYSA-N 0 1 397.475 3.365 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000178728127 1429153592 /nfs/dbraw/zinc/15/35/92/1429153592.db2.gz YOSHGNRVLXAQMY-NSHDSACASA-N 0 1 378.816 3.159 20 5 GGBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(SC(F)F)nc1 ZINC000135247982 1417195591 /nfs/dbraw/zinc/19/55/91/1417195591.db2.gz NNEKKBIXCMBYGW-UHFFFAOYSA-N 0 1 375.378 3.414 20 5 GGBDMN COc1cc(S(=O)(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)ccc1[N+](=O)[O-] ZINC000135504294 1417230046 /nfs/dbraw/zinc/23/00/46/1417230046.db2.gz RURMVINVMSJHPG-UHFFFAOYSA-N 0 1 398.347 3.218 20 5 GGBDMN O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1CN1CCC(O)CC1 ZINC000135617758 1417248169 /nfs/dbraw/zinc/24/81/69/1417248169.db2.gz MHODXXNZNXEFRN-MDZDMXLPSA-N 0 1 381.432 3.203 20 5 GGBDMN CCOc1ccccc1NC(=O)CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000136195360 1417300447 /nfs/dbraw/zinc/30/04/47/1417300447.db2.gz PYFKSUSLGZMANG-UHFFFAOYSA-N 0 1 398.463 3.144 20 5 GGBDMN CCCCCOc1ccc([C@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1OC ZINC000136297521 1417307524 /nfs/dbraw/zinc/30/75/24/1417307524.db2.gz ASAMKKFAXCCELC-LBPRGKRZSA-N 0 1 376.413 3.387 20 5 GGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178808240 1429176406 /nfs/dbraw/zinc/17/64/06/1429176406.db2.gz LPTFDKFPBNMLOE-MHZLTWQESA-N 0 1 389.477 3.101 20 5 GGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1ccc([S@](C)=O)cc1 ZINC000178808240 1429176411 /nfs/dbraw/zinc/17/64/11/1429176411.db2.gz LPTFDKFPBNMLOE-MHZLTWQESA-N 0 1 389.477 3.101 20 5 GGBDMN O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000136852748 1417350500 /nfs/dbraw/zinc/35/05/00/1417350500.db2.gz PKNQXZRIALSEGA-SFHVURJKSA-N 0 1 386.452 3.257 20 5 GGBDMN COc1cc([C@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000136958524 1417357564 /nfs/dbraw/zinc/35/75/64/1417357564.db2.gz AHNJHJKTTQXEAD-ZDUSSCGKSA-N 0 1 396.403 3.397 20 5 GGBDMN O=[N+]([O-])c1ccc(OC2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000137068672 1417366629 /nfs/dbraw/zinc/36/66/29/1417366629.db2.gz GVKMWTFZXWHEMV-IBGZPJMESA-N 0 1 387.392 3.080 20 5 GGBDMN Cc1c(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000137489570 1417388922 /nfs/dbraw/zinc/38/89/22/1417388922.db2.gz DNGHZHKWZXMBSV-CJNGLKHVSA-N 0 1 398.419 3.204 20 5 GGBDMN Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000137846440 1417397135 /nfs/dbraw/zinc/39/71/35/1417397135.db2.gz QXIYMNNYLDFJQH-SUMWQHHRSA-N 0 1 398.419 3.204 20 5 GGBDMN O=C(COc1cccc([N+](=O)[O-])c1)Nc1cccc(CN2CCSCC2)c1 ZINC000138608443 1417428993 /nfs/dbraw/zinc/42/89/93/1417428993.db2.gz NPDBEDIUBYNAEB-UHFFFAOYSA-N 0 1 387.461 3.161 20 5 GGBDMN Cc1cccc(N2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1C ZINC000140063654 1417486878 /nfs/dbraw/zinc/48/68/78/1417486878.db2.gz KZJTXLGYJMLBHY-UHFFFAOYSA-N 0 1 382.464 3.362 20 5 GGBDMN O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000140245192 1417495044 /nfs/dbraw/zinc/49/50/44/1417495044.db2.gz ITKRPTWIWQCIKM-AUUYWEPGSA-N 0 1 380.404 3.369 20 5 GGBDMN O=[N+]([O-])c1c(N2CCCN(Cc3ccc(F)cc3)CC2)nc2sccn21 ZINC000140359215 1417500389 /nfs/dbraw/zinc/50/03/89/1417500389.db2.gz ZMEIQQMHMHPGEQ-UHFFFAOYSA-N 0 1 375.429 3.155 20 5 GGBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC([C@H](O)C(F)(F)F)CC3)o2)c1 ZINC000140900213 1417521190 /nfs/dbraw/zinc/52/11/90/1417521190.db2.gz OOIKKDCXDGPYHE-KRWDZBQOSA-N 0 1 399.369 3.428 20 5 GGBDMN O=C(Nc1cccc(CN2CCSCC2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000146027271 1417708678 /nfs/dbraw/zinc/70/86/78/1417708678.db2.gz MRAVNENMHOWMKQ-UHFFFAOYSA-N 0 1 397.460 3.272 20 5 GGBDMN COc1ccccc1[C@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1)N1CCCC1 ZINC000149828135 1417780626 /nfs/dbraw/zinc/78/06/26/1417780626.db2.gz XXFWASHMSQHURJ-IBGZPJMESA-N 0 1 383.448 3.479 20 5 GGBDMN COc1ccccc1[C@@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1)N1CCCC1 ZINC000149828331 1417780634 /nfs/dbraw/zinc/78/06/34/1417780634.db2.gz XXFWASHMSQHURJ-LJQANCHMSA-N 0 1 383.448 3.479 20 5 GGBDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000178887177 1429211059 /nfs/dbraw/zinc/21/10/59/1429211059.db2.gz CPQZPKCUGAOHFN-INIZCTEOSA-N 0 1 397.479 3.357 20 5 GGBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)c1C ZINC000150874601 1417825806 /nfs/dbraw/zinc/82/58/06/1417825806.db2.gz HPWDROYGVKZLIZ-UHFFFAOYSA-N 0 1 391.449 3.023 20 5 GGBDMN O=C(CSc1nc(-c2cc(F)cc(F)c2)n[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000151117922 1417875898 /nfs/dbraw/zinc/87/58/98/1417875898.db2.gz UVMRGCVCQRUGCP-UHFFFAOYSA-N 0 1 391.359 3.389 20 5 GGBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000151190103 1417890775 /nfs/dbraw/zinc/89/07/75/1417890775.db2.gz ZICAASRIBATKIL-UHFFFAOYSA-N 0 1 382.464 3.226 20 5 GGBDMN C[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000151559527 1418024520 /nfs/dbraw/zinc/02/45/20/1418024520.db2.gz BJPIHLUAXLHANG-LLVKDONJSA-N 0 1 391.380 3.428 20 5 GGBDMN Cc1ccc(S(=O)(=O)N(CCN2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000151673211 1418057576 /nfs/dbraw/zinc/05/75/76/1418057576.db2.gz HDHXKKJENLCWNL-UHFFFAOYSA-N 0 1 389.477 3.194 20 5 GGBDMN Cc1cccc(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1Br ZINC000152231629 1418179780 /nfs/dbraw/zinc/17/97/80/1418179780.db2.gz RRESRSGICBQENL-UHFFFAOYSA-N 0 1 386.227 3.049 20 5 GGBDMN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179336966 1429333956 /nfs/dbraw/zinc/33/39/56/1429333956.db2.gz FWDXJFSWTGYOLT-ZDUSSCGKSA-N 0 1 387.465 3.089 20 5 GGBDMN O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@@H](C4OCCO4)C3)cs2)c1 ZINC000179366304 1429346543 /nfs/dbraw/zinc/34/65/43/1429346543.db2.gz FZGAAUZQCFRRSM-CQSZACIVSA-N 0 1 375.450 3.303 20 5 GGBDMN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179474182 1429386930 /nfs/dbraw/zinc/38/69/30/1429386930.db2.gz BYKUFAWTRLWKLW-LLVKDONJSA-N 0 1 375.816 3.264 20 5 GGBDMN O=[N+]([O-])c1cccc(C[N@@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)C2CC2)c1 ZINC000823647485 1429404224 /nfs/dbraw/zinc/40/42/24/1429404224.db2.gz KWPVPCYVKCSACR-UHFFFAOYSA-N 0 1 389.419 3.192 20 5 GGBDMN Cc1c(NC(=O)[C@@H](C)N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cccc1[N+](=O)[O-] ZINC000179516276 1429405444 /nfs/dbraw/zinc/40/54/44/1429405444.db2.gz TVSZSDTUIDOBQP-HIFRSBDPSA-N 0 1 398.467 3.105 20 5 GGBDMN Cc1c(NC(=O)[C@@H](C)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cccc1[N+](=O)[O-] ZINC000179516276 1429405452 /nfs/dbraw/zinc/40/54/52/1429405452.db2.gz TVSZSDTUIDOBQP-HIFRSBDPSA-N 0 1 398.467 3.105 20 5 GGBDMN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(OC(F)F)c1 ZINC000179578986 1429449475 /nfs/dbraw/zinc/44/94/75/1429449475.db2.gz UXFADTBVYCBYAP-GFCCVEGCSA-N 0 1 391.374 3.436 20 5 GGBDMN COc1ccc(NC(=O)CN[C@@H](C)c2cccc(OC(F)F)c2)c([N+](=O)[O-])c1 ZINC000179597679 1429462991 /nfs/dbraw/zinc/46/29/91/1429462991.db2.gz AXSNOGOWSVLSFF-NSHDSACASA-N 0 1 395.362 3.494 20 5 GGBDMN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(OC(F)F)cc1 ZINC000179607132 1429468696 /nfs/dbraw/zinc/46/86/96/1429468696.db2.gz JHTYVXACUHOXKN-GFCCVEGCSA-N 0 1 391.374 3.436 20 5 GGBDMN COc1ccc(NC(=O)CN[C@H](C)c2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 ZINC000179616291 1429472354 /nfs/dbraw/zinc/47/23/54/1429472354.db2.gz HMZCRYTZKSTDHZ-LLVKDONJSA-N 0 1 395.362 3.494 20 5 GGBDMN COc1cc(C)c([C@@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000179629118 1429479241 /nfs/dbraw/zinc/47/92/41/1429479241.db2.gz KQIVNHBQTCYVLK-CQSZACIVSA-N 0 1 387.436 3.234 20 5 GGBDMN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@@H]1COc2ccccc2O1 ZINC000179633211 1429481364 /nfs/dbraw/zinc/48/13/64/1429481364.db2.gz BWDXDLHBAQXTKU-GOSISDBHSA-N 0 1 394.431 3.267 20 5 GGBDMN C[C@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179731546 1429527068 /nfs/dbraw/zinc/52/70/68/1429527068.db2.gz QPWUQDRNNUYLBL-RNODOKPDSA-N 0 1 397.431 3.434 20 5 GGBDMN C[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N1CCc2ccccc2C1 ZINC000152438821 1422103470 /nfs/dbraw/zinc/10/34/70/1422103470.db2.gz GHMBQHQMGQJRIC-MRXNPFEDSA-N 0 1 394.475 3.109 20 5 GGBDMN O=C(N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1n[nH]cc1[N+](=O)[O-] ZINC000152647374 1422186604 /nfs/dbraw/zinc/18/66/04/1422186604.db2.gz SSXMRKVOTZJPPZ-LLVKDONJSA-N 0 1 387.396 3.388 20 5 GGBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Br)nc2)c1C ZINC000152670197 1422202125 /nfs/dbraw/zinc/20/21/25/1422202125.db2.gz RFRLWKJZKUYADW-UHFFFAOYSA-N 0 1 386.227 3.170 20 5 GGBDMN CCOc1ccc(NC(=O)CN[C@@H](CCCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000179756517 1429542060 /nfs/dbraw/zinc/54/20/60/1429542060.db2.gz XDDYTUSIKHIQBW-KRWDZBQOSA-N 0 1 387.436 3.035 20 5 GGBDMN O=C(CN[C@@H](CCCO)c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000179756579 1429542101 /nfs/dbraw/zinc/54/21/01/1429542101.db2.gz VJCSMNZJKBEKAT-HNNXBMFYSA-N 0 1 377.828 3.290 20 5 GGBDMN Cc1ccc(S(=O)(=O)Nc2ccc(Br)nc2C)cc1[N+](=O)[O-] ZINC000179756120 1429542162 /nfs/dbraw/zinc/54/21/62/1429542162.db2.gz YGDOCCGMJBKPSS-UHFFFAOYSA-N 0 1 386.227 3.170 20 5 GGBDMN O=C(CN[C@H](c1ccc2c(c1)OCCO2)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000179759948 1429545076 /nfs/dbraw/zinc/54/50/76/1429545076.db2.gz QFCHGSHMOUFCHK-FQEVSTJZSA-N 0 1 383.404 3.045 20 5 GGBDMN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000179762938 1429546802 /nfs/dbraw/zinc/54/68/02/1429546802.db2.gz OCONQBULHMPAPU-ZDUSSCGKSA-N 0 1 382.420 3.233 20 5 GGBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCN(c4cccc(O)c4)CC3)o2)c1 ZINC000153066426 1422345358 /nfs/dbraw/zinc/34/53/58/1422345358.db2.gz BWUJLKTVKDWGIH-UHFFFAOYSA-N 0 1 394.431 3.320 20 5 GGBDMN O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)Cc3ccc(F)cc3)n[nH]2)c1 ZINC000153189032 1422386421 /nfs/dbraw/zinc/38/64/21/1422386421.db2.gz LAXZBANOFILCBH-UHFFFAOYSA-N 0 1 376.369 3.066 20 5 GGBDMN O=[N+]([O-])c1cccc(CN(C[C@H](O)COc2cccc3[nH]ccc32)C2CC2)c1 ZINC000153322058 1422469047 /nfs/dbraw/zinc/46/90/47/1422469047.db2.gz KEGUWYACRQCIAT-SFHVURJKSA-N 0 1 381.432 3.480 20 5 GGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(Cc1ccco1)Cc1cccnc1 ZINC000153597906 1422639277 /nfs/dbraw/zinc/63/92/77/1422639277.db2.gz XKJPADFKCOJCBM-UHFFFAOYSA-N 0 1 377.360 3.302 20 5 GGBDMN CC(C)c1csc(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000154067613 1422835212 /nfs/dbraw/zinc/83/52/12/1422835212.db2.gz CIZMDVAVVKGCHC-UHFFFAOYSA-N 0 1 375.859 3.307 20 5 GGBDMN CCOCc1cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1OC ZINC000179818197 1429590878 /nfs/dbraw/zinc/59/08/78/1429590878.db2.gz VXFRAXOCRNBYAX-QGZVFWFLSA-N 0 1 386.452 3.221 20 5 GGBDMN CCOc1ccc([C@H](C)NCc2ccccc2CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000154140515 1422845776 /nfs/dbraw/zinc/84/57/76/1422845776.db2.gz DJBCBCJTNMEYRM-AWEZNQCLSA-N 0 1 392.477 3.389 20 5 GGBDMN CCOc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000154245211 1422861025 /nfs/dbraw/zinc/86/10/25/1422861025.db2.gz ORPGVYZINUSPHB-KRWDZBQOSA-N 0 1 375.400 3.165 20 5 GGBDMN O=C(c1cc(C2CCCCC2)[nH]n1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000154257192 1422862873 /nfs/dbraw/zinc/86/28/73/1422862873.db2.gz WYUHSLKWKLFNDH-UHFFFAOYSA-N 0 1 383.452 3.328 20 5 GGBDMN O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000154315251 1422871611 /nfs/dbraw/zinc/87/16/11/1422871611.db2.gz DHKALQRWJZFORY-UHFFFAOYSA-N 0 1 398.250 3.019 20 5 GGBDMN CN(C)Cc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000154567910 1422936324 /nfs/dbraw/zinc/93/63/24/1422936324.db2.gz ARASYZQOEGYDRM-UHFFFAOYSA-N 0 1 379.819 3.308 20 5 GGBDMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154640409 1422978612 /nfs/dbraw/zinc/97/86/12/1422978612.db2.gz VAPLUXGFNXAAAA-KYJSFNMBSA-N 0 1 393.484 3.253 20 5 GGBDMN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(C3CCCCC3)CC2)cc1OC ZINC000154859696 1423057273 /nfs/dbraw/zinc/05/72/73/1423057273.db2.gz DJXVKXJTFWEHCT-UHFFFAOYSA-N 0 1 391.468 3.093 20 5 GGBDMN Cc1cc(F)cc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000155483591 1423382313 /nfs/dbraw/zinc/38/23/13/1423382313.db2.gz BVFCBKARLZFMTP-AWEZNQCLSA-N 0 1 386.427 3.393 20 5 GGBDMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000155526126 1423400187 /nfs/dbraw/zinc/40/01/87/1423400187.db2.gz ZTCCDKGGQVLJIC-KRWDZBQOSA-N 0 1 383.448 3.285 20 5 GGBDMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000155526036 1423400267 /nfs/dbraw/zinc/40/02/67/1423400267.db2.gz ZTCCDKGGQVLJIC-QGZVFWFLSA-N 0 1 383.448 3.285 20 5 GGBDMN COc1ccc(C[C@@H](C)CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1OC ZINC000155567161 1423422252 /nfs/dbraw/zinc/42/22/52/1423422252.db2.gz UDEOYOYCTYLXAH-GFCCVEGCSA-N 0 1 398.419 3.097 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccccc1)[C@H](CO)C1CC1 ZINC000155950627 1423607021 /nfs/dbraw/zinc/60/70/21/1423607021.db2.gz PYBGGLFBANRBTL-HXUWFJFHSA-N 0 1 383.448 3.115 20 5 GGBDMN O=[N+]([O-])c1cc(CN(Cc2ccccc2)[C@H](CO)C2CC2)c2c(c1)COCO2 ZINC000156022303 1423637595 /nfs/dbraw/zinc/63/75/95/1423637595.db2.gz LJXCQWUWXKHDOZ-HXUWFJFHSA-N 0 1 384.432 3.234 20 5 GGBDMN CCCN(C(=O)c1c([N+](=O)[O-])c(C)nn1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000156063882 1423657482 /nfs/dbraw/zinc/65/74/82/1423657482.db2.gz LYLPAEPBAZFQIX-GOSISDBHSA-N 0 1 399.495 3.154 20 5 GGBDMN CN(C)[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(F)cc1 ZINC000156410210 1423806845 /nfs/dbraw/zinc/80/68/45/1423806845.db2.gz ZAXAGSJFSWPTGU-IBGZPJMESA-N 0 1 384.411 3.177 20 5 GGBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cc3c(cc2F)NC(=O)CC3)c1C ZINC000156969475 1423895281 /nfs/dbraw/zinc/89/52/81/1423895281.db2.gz JZMBMFJWBBWFGA-UHFFFAOYSA-N 0 1 393.396 3.036 20 5 GGBDMN O=C(N[C@H]1CCC[C@H]1OCc1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000157374313 1423997358 /nfs/dbraw/zinc/99/73/58/1423997358.db2.gz IGGRELUEFNDDDJ-ZWKOTPCHSA-N 0 1 380.404 3.339 20 5 GGBDMN O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000157374608 1423997420 /nfs/dbraw/zinc/99/74/20/1423997420.db2.gz IGGRELUEFNDDDJ-QZTJIDSGSA-N 0 1 380.404 3.339 20 5 GGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCO[C@@]2(CCc3ccccc32)C1 ZINC000158686273 1424319719 /nfs/dbraw/zinc/31/97/19/1424319719.db2.gz QVHBYGLRRFGPDO-QFIPXVFZSA-N 0 1 395.459 3.406 20 5 GGBDMN COc1ccccc1-c1n[nH]c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000158711886 1424324639 /nfs/dbraw/zinc/32/46/39/1424324639.db2.gz IAWKOXNNSDJHBV-UHFFFAOYSA-N 0 1 392.375 3.051 20 5 GGBDMN CC(=O)Nc1cc(F)c(F)cc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000158743504 1424332631 /nfs/dbraw/zinc/33/26/31/1424332631.db2.gz USKUDSGDNYRZSJ-UHFFFAOYSA-N 0 1 399.375 3.249 20 5 GGBDMN COc1cccc([C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])N2CCCC2)c1 ZINC000159098728 1424417333 /nfs/dbraw/zinc/41/73/33/1424417333.db2.gz IMBKLRGCAVOGGU-IBGZPJMESA-N 0 1 387.411 3.309 20 5 GGBDMN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC000159509749 1424509296 /nfs/dbraw/zinc/50/92/96/1424509296.db2.gz QPAMAYLCTZFHAP-GASCZTMLSA-N 0 1 397.431 3.362 20 5 GGBDMN O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160101813 1424573958 /nfs/dbraw/zinc/57/39/58/1424573958.db2.gz XRJXMZQKRIWVFR-UHFFFAOYSA-N 0 1 376.438 3.385 20 5 GGBDMN CNS(=O)(=O)c1cccc([C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000161438585 1424688583 /nfs/dbraw/zinc/68/85/83/1424688583.db2.gz MROAZFMHUVSUQP-KBPBESRZSA-N 0 1 377.466 3.223 20 5 GGBDMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000161446369 1424690100 /nfs/dbraw/zinc/69/01/00/1424690100.db2.gz HKPBXWJYEJFDGR-KGLIPLIRSA-N 0 1 377.466 3.223 20 5 GGBDMN CNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000161445961 1424690825 /nfs/dbraw/zinc/69/08/25/1424690825.db2.gz HKPBXWJYEJFDGR-UONOGXRCSA-N 0 1 377.466 3.223 20 5 GGBDMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000161438695 1424690838 /nfs/dbraw/zinc/69/08/38/1424690838.db2.gz MROAZFMHUVSUQP-ZIAGYGMSSA-N 0 1 377.466 3.223 20 5 GGBDMN COc1cc(OCC(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)ccc1[N+](=O)[O-] ZINC000161485765 1424694344 /nfs/dbraw/zinc/69/43/44/1424694344.db2.gz LOCZNUTYHKONRK-UHFFFAOYSA-N 0 1 386.364 3.221 20 5 GGBDMN C[C@@H](N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000161554561 1424709248 /nfs/dbraw/zinc/70/92/48/1424709248.db2.gz DHUUEZOXTOTWHG-ZIAGYGMSSA-N 0 1 377.466 3.257 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnc(C3CC3)nc2)c(C(F)(F)F)c1 ZINC000161621946 1424726576 /nfs/dbraw/zinc/72/65/76/1424726576.db2.gz YOKBQUKICKMDTA-UHFFFAOYSA-N 0 1 388.327 3.082 20 5 GGBDMN C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000821581183 1424907036 /nfs/dbraw/zinc/90/70/36/1424907036.db2.gz FBPOVJGEDGADHV-INIZCTEOSA-N 0 1 387.831 3.143 20 5 GGBDMN CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000163163284 1424951581 /nfs/dbraw/zinc/95/15/81/1424951581.db2.gz UFBPBLVYYTZKMX-HNNXBMFYSA-N 0 1 391.493 3.476 20 5 GGBDMN O=[N+]([O-])c1cccc(Cl)c1CN1CCN(CCCOCC(F)(F)F)CC1 ZINC000163456060 1425002609 /nfs/dbraw/zinc/00/26/09/1425002609.db2.gz JPEOBCLQSZZRJT-UHFFFAOYSA-N 0 1 395.809 3.335 20 5 GGBDMN O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000164468918 1425115110 /nfs/dbraw/zinc/11/51/10/1425115110.db2.gz JJEWFPUKHZHRLE-UHFFFAOYSA-N 0 1 383.448 3.081 20 5 GGBDMN CCc1ccc([C@H](COC)N[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000165248745 1425172358 /nfs/dbraw/zinc/17/23/58/1425172358.db2.gz SCHDFAFCXYBWTN-DYVFJYSZSA-N 0 1 375.425 3.445 20 5 GGBDMN CCc1ccc([C@H](COC)N[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000165248492 1425172483 /nfs/dbraw/zinc/17/24/83/1425172483.db2.gz SCHDFAFCXYBWTN-GUYCJALGSA-N 0 1 375.425 3.445 20 5 GGBDMN CCc1nn(C)c(CC)c1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000169278067 1425244518 /nfs/dbraw/zinc/24/45/18/1425244518.db2.gz IZEAXWFFHPAOLB-UHFFFAOYSA-N 0 1 382.468 3.143 20 5 GGBDMN CN1CC[NH+](Cc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CC1 ZINC000170504422 1425263583 /nfs/dbraw/zinc/26/35/83/1425263583.db2.gz VHJOSYSHBNXJBQ-UHFFFAOYSA-N 0 1 388.855 3.248 20 5 GGBDMN CN1CCN(Cc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CC1 ZINC000170504422 1425263586 /nfs/dbraw/zinc/26/35/86/1425263586.db2.gz VHJOSYSHBNXJBQ-UHFFFAOYSA-N 0 1 388.855 3.248 20 5 GGBDMN Cc1ccc([C@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])N2CCCC2)o1 ZINC000170633705 1425268017 /nfs/dbraw/zinc/26/80/17/1425268017.db2.gz HSCJXJBBFVGACE-KRWDZBQOSA-N 0 1 387.436 3.218 20 5 GGBDMN CN(C[C@@H]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1)C(=O)OC(C)(C)C ZINC000170903461 1425386644 /nfs/dbraw/zinc/38/66/44/1425386644.db2.gz NYMTYZMQDIWUDT-AWEZNQCLSA-N 0 1 389.456 3.091 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC1(c2ccc(F)cc2)CCOCC1 ZINC000170971653 1425421279 /nfs/dbraw/zinc/42/12/79/1425421279.db2.gz VCALJRFNQRWQGK-UHFFFAOYSA-N 0 1 387.411 3.276 20 5 GGBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-c3ncon3)cc2)ccc1Cl ZINC000171014241 1425437176 /nfs/dbraw/zinc/43/71/76/1425437176.db2.gz VOONDSMQFKCJTO-UHFFFAOYSA-N 0 1 380.769 3.099 20 5 GGBDMN Cc1nc(C(F)(F)F)ccc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000171484492 1425701211 /nfs/dbraw/zinc/70/12/11/1425701211.db2.gz DQUJWAVLDXQYGX-UHFFFAOYSA-N 0 1 392.297 3.354 20 5 GGBDMN O=C(COc1ccc(F)cc1Cl)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000171484691 1425701310 /nfs/dbraw/zinc/70/13/10/1425701310.db2.gz FWYFZUZURXMPHQ-UHFFFAOYSA-N 0 1 391.746 3.190 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CCC(c3c[nH]c4ccc(OC)cc43)CC2)c1[N+](=O)[O-] ZINC000171804294 1425824915 /nfs/dbraw/zinc/82/49/15/1425824915.db2.gz DDRCKJUILYAGGX-UHFFFAOYSA-N 0 1 397.435 3.390 20 5 GGBDMN Cc1cc(S(=O)(=O)Nc2cccc(NC(=O)C3CC3)c2)ccc1[N+](=O)[O-] ZINC000172182358 1425936808 /nfs/dbraw/zinc/93/68/08/1425936808.db2.gz MKPNGJJNBGLMDE-UHFFFAOYSA-N 0 1 375.406 3.053 20 5 GGBDMN CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000172183260 1425937218 /nfs/dbraw/zinc/93/72/18/1425937218.db2.gz SIMMHYDAKDPJHQ-CYBMUJFWSA-N 0 1 391.449 3.232 20 5 GGBDMN Cc1cc(S(=O)(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)ccc1[N+](=O)[O-] ZINC000172182937 1425937575 /nfs/dbraw/zinc/93/75/75/1425937575.db2.gz BHDJBIDFNZMUOA-UHFFFAOYSA-N 0 1 391.449 3.232 20 5 GGBDMN Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)ccc1[N+](=O)[O-] ZINC000172182617 1425937741 /nfs/dbraw/zinc/93/77/41/1425937741.db2.gz ZYAHAZAXYNSILD-UHFFFAOYSA-N 0 1 397.840 3.059 20 5 GGBDMN CCc1[nH]nc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)c1[N+](=O)[O-] ZINC000172409395 1426029779 /nfs/dbraw/zinc/02/97/79/1426029779.db2.gz UEGTZZMNXJCSKB-UHFFFAOYSA-N 0 1 377.364 3.071 20 5 GGBDMN Cc1[nH]ncc1CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000172510372 1426065101 /nfs/dbraw/zinc/06/51/01/1426065101.db2.gz JBVQAWKJRHOUST-UHFFFAOYSA-N 0 1 395.206 3.049 20 5 GGBDMN CN(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CCC1 ZINC000172774312 1426181572 /nfs/dbraw/zinc/18/15/72/1426181572.db2.gz ZIMHDDMLSBTPBE-UHFFFAOYSA-N 0 1 389.433 3.020 20 5 GGBDMN COc1ccc(CCCN(C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)cc1 ZINC000172897253 1426244468 /nfs/dbraw/zinc/24/44/68/1426244468.db2.gz LETTYRXAQYOADG-UHFFFAOYSA-N 0 1 381.436 3.384 20 5 GGBDMN COc1cccc([C@H](CNC(=O)c2cc(C)ccc2[N+](=O)[O-])N2CCCC2)c1 ZINC000172956547 1426283448 /nfs/dbraw/zinc/28/34/48/1426283448.db2.gz LSSWNCLRZKEDHL-FQEVSTJZSA-N 0 1 383.448 3.479 20 5 GGBDMN Cc1cccc(N2CCN(CCCNC(=O)c3cc(C)ccc3[N+](=O)[O-])CC2)c1 ZINC000173074263 1426332031 /nfs/dbraw/zinc/33/20/31/1426332031.db2.gz YKXPKPRVNDECOH-UHFFFAOYSA-N 0 1 396.491 3.154 20 5 GGBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000173075101 1426332533 /nfs/dbraw/zinc/33/25/33/1426332533.db2.gz IGHWYRTULYXVSR-CALCHBBNSA-N 0 1 397.475 3.442 20 5 GGBDMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000173286429 1426465470 /nfs/dbraw/zinc/46/54/70/1426465470.db2.gz IRAPCJXPUODGSO-QGZVFWFLSA-N 0 1 383.448 3.285 20 5 GGBDMN C[C@@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173328582 1426510347 /nfs/dbraw/zinc/51/03/47/1426510347.db2.gz KORSSKGVJYJDHE-OAHLLOKOSA-N 0 1 389.477 3.230 20 5 GGBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173333013 1426514318 /nfs/dbraw/zinc/51/43/18/1426514318.db2.gz ZVMDZTYZDMRXES-UONOGXRCSA-N 0 1 377.466 3.257 20 5 GGBDMN CC(C)N(C)S(=O)(=O)c1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173350472 1426527805 /nfs/dbraw/zinc/52/78/05/1426527805.db2.gz BSYUHSUAKDVZCM-HNNXBMFYSA-N 0 1 391.493 3.475 20 5 GGBDMN C[C@@H](NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173351721 1426528538 /nfs/dbraw/zinc/52/85/38/1426528538.db2.gz GMISJZIHWLNOIS-QRWLVFNGSA-N 0 1 383.448 3.354 20 5 GGBDMN CC[NH+](CC)Cc1ccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000821197308 1426543057 /nfs/dbraw/zinc/54/30/57/1426543057.db2.gz ITBHMULWKORERY-UHFFFAOYSA-N 0 1 381.440 3.229 20 5 GGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(CCCO)[C@@H]1CCc2ccccc21 ZINC000173388750 1426566891 /nfs/dbraw/zinc/56/68/91/1426566891.db2.gz CRCOKNBTVNVVFI-HXUWFJFHSA-N 0 1 383.448 3.214 20 5 GGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1)[C@@H](CO)C(C)C ZINC000173412921 1426595752 /nfs/dbraw/zinc/59/57/52/1426595752.db2.gz YEMLKYOGRSQTBB-FQEVSTJZSA-N 0 1 385.464 3.361 20 5 GGBDMN CCN(CC)C(=O)C1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCCCC1 ZINC000173413697 1426596167 /nfs/dbraw/zinc/59/61/67/1426596167.db2.gz AOYIEDFOSDYTJO-UHFFFAOYSA-N 0 1 390.484 3.003 20 5 GGBDMN O=[N+]([O-])c1ccccc1C[N@@H+](CCCOc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826500422 1426598749 /nfs/dbraw/zinc/59/87/49/1426598749.db2.gz YCVFRZCIZFIIIZ-UHFFFAOYSA-N 0 1 394.435 3.208 20 5 GGBDMN COC(=O)c1cc2cc(CN3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc2o1 ZINC000173473098 1426647497 /nfs/dbraw/zinc/64/74/97/1426647497.db2.gz ROLXDYJSTDCIDL-HNNXBMFYSA-N 0 1 396.403 3.209 20 5 GGBDMN COc1ccc(OCCN(C)Cc2cnn(-c3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000173479248 1426653613 /nfs/dbraw/zinc/65/36/13/1426653613.db2.gz OGQYBKZBVLGYHV-UHFFFAOYSA-N 0 1 382.420 3.300 20 5 GGBDMN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CCN1Cc1ccccc1 ZINC000173520206 1426692807 /nfs/dbraw/zinc/69/28/07/1426692807.db2.gz PUEKQAXTRVONNE-KRWDZBQOSA-N 0 1 396.491 3.397 20 5 GGBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](COCc2ccccc2)C1 ZINC000173651729 1426810889 /nfs/dbraw/zinc/81/08/89/1426810889.db2.gz MTKGJUNTXUAXAC-WMZOPIPTSA-N 0 1 383.448 3.461 20 5 GGBDMN CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000173708416 1426827720 /nfs/dbraw/zinc/82/77/20/1426827720.db2.gz ZZWBJIXRKVXJAD-QGZVFWFLSA-N 0 1 398.419 3.240 20 5 GGBDMN O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]Cc3cc(-c4nnn[n-]4)ccc3F)o2)c1 ZINC000823644676 1426857219 /nfs/dbraw/zinc/85/72/19/1426857219.db2.gz KEUDMNRLEDCARQ-UHFFFAOYSA-N 0 1 394.366 3.464 20 5 GGBDMN CN(CC(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC000173883021 1426880703 /nfs/dbraw/zinc/88/07/03/1426880703.db2.gz MYCBGVQJWURYQQ-SFHVURJKSA-N 0 1 395.419 3.398 20 5 GGBDMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000174179796 1427035034 /nfs/dbraw/zinc/03/50/34/1427035034.db2.gz NNEYJWGJAZTGPX-UHFFFAOYSA-N 0 1 399.451 3.389 20 5 GGBDMN O=[N+]([O-])c1ccc(OC2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000174247495 1427068585 /nfs/dbraw/zinc/06/85/85/1427068585.db2.gz PAYUFCBRQXKDSU-UHFFFAOYSA-N 0 1 387.392 3.425 20 5 GGBDMN Cc1ccccc1[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H](C)CO1 ZINC000174397838 1427138566 /nfs/dbraw/zinc/13/85/66/1427138566.db2.gz GLPUGIOKFOPZER-ACJLOTCBSA-N 0 1 380.404 3.382 20 5 GGBDMN Cc1ccccc1[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](C)CO1 ZINC000174397856 1427138616 /nfs/dbraw/zinc/13/86/16/1427138616.db2.gz GLPUGIOKFOPZER-UGSOOPFHSA-N 0 1 380.404 3.382 20 5 GGBDMN C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(-n2cccn2)cc1 ZINC000174435854 1427155682 /nfs/dbraw/zinc/15/56/82/1427155682.db2.gz POFHJQOCSUZBTA-AWEZNQCLSA-N 0 1 380.404 3.498 20 5 GGBDMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000174506684 1427191272 /nfs/dbraw/zinc/19/12/72/1427191272.db2.gz RPBSCACTFCDKDE-UHFFFAOYSA-N 0 1 383.383 3.157 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000174510264 1427192360 /nfs/dbraw/zinc/19/23/60/1427192360.db2.gz IBACORKYFWXYKU-GFCCVEGCSA-N 0 1 391.859 3.053 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000174601907 1427252698 /nfs/dbraw/zinc/25/26/98/1427252698.db2.gz LUEVXJWXRPDPKD-HNNXBMFYSA-N 0 1 384.436 3.158 20 5 GGBDMN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000174677962 1427305271 /nfs/dbraw/zinc/30/52/71/1427305271.db2.gz MWIDROBJGPIFRV-FQEVSTJZSA-N 0 1 382.464 3.158 20 5 GGBDMN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000174677947 1427305551 /nfs/dbraw/zinc/30/55/51/1427305551.db2.gz MWIDROBJGPIFRV-HXUWFJFHSA-N 0 1 382.464 3.158 20 5 GGBDMN CCc1[nH]nc(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)c1[N+](=O)[O-] ZINC000174711684 1427324443 /nfs/dbraw/zinc/32/44/43/1427324443.db2.gz UUGUZJQZXYUXQJ-UHFFFAOYSA-N 0 1 392.828 3.228 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c3nsnc3ccc2Cl)c(F)c1 ZINC000174742268 1427342859 /nfs/dbraw/zinc/34/28/59/1427342859.db2.gz QDPBWUQIEIVOGF-UHFFFAOYSA-N 0 1 388.789 3.193 20 5 GGBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1nc(-c2cccc(F)c2)no1 ZINC000174755246 1427350129 /nfs/dbraw/zinc/35/01/29/1427350129.db2.gz KOFBCCUDVVDRNT-SECBINFHSA-N 0 1 396.338 3.151 20 5 GGBDMN O=C1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CN1C1CC1 ZINC000174932081 1427452211 /nfs/dbraw/zinc/45/22/11/1427452211.db2.gz OHQUZLJGBPXTMH-LLVKDONJSA-N 0 1 375.812 3.361 20 5 GGBDMN COc1cc(OC)cc(N2CC[C@H](N[C@@H](C)c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000174997264 1427487354 /nfs/dbraw/zinc/48/73/54/1427487354.db2.gz CPKUQPBVHAHTAI-DJJJIMSYSA-N 0 1 385.420 3.068 20 5 GGBDMN CCCNC(=O)c1cccc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1 ZINC000175001475 1427490301 /nfs/dbraw/zinc/49/03/01/1427490301.db2.gz UOUDZBBETAZPPQ-UHFFFAOYSA-N 0 1 391.449 3.152 20 5 GGBDMN COc1cccc([C@@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])N(C)C)c1 ZINC000175085819 1427538264 /nfs/dbraw/zinc/53/82/64/1427538264.db2.gz TVOXGYZKTJXDTF-MRXNPFEDSA-N 0 1 377.828 3.290 20 5 GGBDMN O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000175091775 1427541525 /nfs/dbraw/zinc/54/15/25/1427541525.db2.gz QEMVHTXWSGZNRG-GFCCVEGCSA-N 0 1 385.811 3.133 20 5 GGBDMN CC(C)(NC(=O)CCN1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000175150515 1427570192 /nfs/dbraw/zinc/57/01/92/1427570192.db2.gz SFEBRVWGQQCAAJ-UHFFFAOYSA-N 0 1 396.491 3.158 20 5 GGBDMN O=C(c1c(O)cc(Cl)cc1Cl)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000175242275 1427622739 /nfs/dbraw/zinc/62/27/39/1427622739.db2.gz OGKVDGBOOQEXMW-SNVBAGLBSA-N 0 1 397.218 3.329 20 5 GGBDMN O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000175289579 1427650134 /nfs/dbraw/zinc/65/01/34/1427650134.db2.gz LHBDCRMBGHIWMV-UHFFFAOYSA-N 0 1 376.319 3.045 20 5 GGBDMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000175295686 1427654712 /nfs/dbraw/zinc/65/47/12/1427654712.db2.gz QNDGPIPNVGUBTQ-UHFFFAOYSA-N 0 1 398.463 3.306 20 5 GGBDMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000175299560 1427657686 /nfs/dbraw/zinc/65/76/86/1427657686.db2.gz ZEBIXGUWKJPZJR-UHFFFAOYSA-N 0 1 398.463 3.306 20 5 GGBDMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000175301826 1427661099 /nfs/dbraw/zinc/66/10/99/1427661099.db2.gz QNLJTLGWTBCNMS-UHFFFAOYSA-N 0 1 398.463 3.306 20 5 GGBDMN O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1cc(-c2nn[n-]n2)ccc1F)C1CC1 ZINC000826500127 1427714614 /nfs/dbraw/zinc/71/46/14/1427714614.db2.gz MEUXANFNWZOWMV-QGZVFWFLSA-N 0 1 382.399 3.025 20 5 GGBDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000175473642 1427773856 /nfs/dbraw/zinc/77/38/56/1427773856.db2.gz SDFMLLPXLPVYOS-UHFFFAOYSA-N 0 1 393.407 3.018 20 5 GGBDMN Cc1ccc([C@@H](C)NC(=O)NCCN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000175774684 1427888444 /nfs/dbraw/zinc/88/84/44/1427888444.db2.gz FNNPELBVTXXLQS-MRXNPFEDSA-N 0 1 382.464 3.322 20 5 GGBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2oc(COC)nc2c1 ZINC000175923327 1427974253 /nfs/dbraw/zinc/97/42/53/1427974253.db2.gz WHIFYQJLJIJWIG-UHFFFAOYSA-N 0 1 391.405 3.246 20 5 GGBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000175993975 1428018030 /nfs/dbraw/zinc/01/80/30/1428018030.db2.gz SMCCMKOAPJKCTR-STQMWFEESA-N 0 1 385.330 3.400 20 5 GGBDMN O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000738366682 1428088334 /nfs/dbraw/zinc/08/83/34/1428088334.db2.gz HJOSWOGLYMVDQI-UHFFFAOYSA-N 0 1 393.432 3.188 20 5 GGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000176248938 1428194755 /nfs/dbraw/zinc/19/47/55/1428194755.db2.gz XKDQOHTVGBUAQP-IAQYHMDHSA-N 0 1 386.433 3.261 20 5 GGBDMN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000180173857 1429780518 /nfs/dbraw/zinc/78/05/18/1429780518.db2.gz WWYDORPRARNUAL-UHFFFAOYSA-N 0 1 391.327 3.040 20 5 GGBDMN CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000180192963 1429794287 /nfs/dbraw/zinc/79/42/87/1429794287.db2.gz SNRLKXMVAQPSGY-KRWDZBQOSA-N 0 1 399.447 3.133 20 5 GGBDMN COc1cc(CN(C)[C@H](CO)C(C)(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000180240790 1429812491 /nfs/dbraw/zinc/81/24/91/1429812491.db2.gz UNXDKONCRHDJHQ-OAHLLOKOSA-N 0 1 376.400 3.086 20 5 GGBDMN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180397000 1429856691 /nfs/dbraw/zinc/85/66/91/1429856691.db2.gz SSAVCBUHLQRKPB-SNVBAGLBSA-N 0 1 378.772 3.446 20 5 GGBDMN CCN(CC)C(=O)c1ccc(NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180408480 1429860236 /nfs/dbraw/zinc/86/02/36/1429860236.db2.gz KLJYHRXHGAWRPO-HNNXBMFYSA-N 0 1 398.463 3.366 20 5 GGBDMN C[C@H](NCC(=O)NCc1ccc(OC(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180420980 1429864612 /nfs/dbraw/zinc/86/46/12/1429864612.db2.gz QQXQYXJMAJPDKL-LBPRGKRZSA-N 0 1 379.363 3.163 20 5 GGBDMN C[C@H](NCC(=O)NCCc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000180423919 1429865307 /nfs/dbraw/zinc/86/53/07/1429865307.db2.gz LPIMOFIITNSXQN-ZDUSSCGKSA-N 0 1 384.461 3.214 20 5 GGBDMN CC(C)NC(=O)c1ccccc1NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180424948 1429865717 /nfs/dbraw/zinc/86/57/17/1429865717.db2.gz DSXWQCFVFMJSTG-AWEZNQCLSA-N 0 1 384.436 3.022 20 5 GGBDMN COc1ccc(OC)c([C@@H](C)NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180427561 1429867027 /nfs/dbraw/zinc/86/70/27/1429867027.db2.gz GXTMGVPHLXGFJC-ZIAGYGMSSA-N 0 1 387.436 3.140 20 5 GGBDMN COc1ccc(OC)c([C@H](C)NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180427528 1429867157 /nfs/dbraw/zinc/86/71/57/1429867157.db2.gz GXTMGVPHLXGFJC-KGLIPLIRSA-N 0 1 387.436 3.140 20 5 GGBDMN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000180432060 1429867728 /nfs/dbraw/zinc/86/77/28/1429867728.db2.gz SVSHLAKESNPJMN-RYUDHWBXSA-N 0 1 388.380 3.189 20 5 GGBDMN CC(C)CNC(=O)c1ccccc1NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180432451 1429868232 /nfs/dbraw/zinc/86/82/32/1429868232.db2.gz LPMGWCPYBAEATH-HNNXBMFYSA-N 0 1 398.463 3.270 20 5 GGBDMN CCN(CC)C(=O)c1cccc(NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180435596 1429869015 /nfs/dbraw/zinc/86/90/15/1429869015.db2.gz XFKQSMYFKIAYRX-OAHLLOKOSA-N 0 1 398.463 3.366 20 5 GGBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCN(Cc4cccnc4)CC3)o2)c1 ZINC000180471139 1429877121 /nfs/dbraw/zinc/87/71/21/1429877121.db2.gz MVKRYAZJIZWKIQ-UHFFFAOYSA-N 0 1 393.447 3.005 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1cc(F)c(F)c(F)c1 ZINC000180516693 1429887397 /nfs/dbraw/zinc/88/73/97/1429887397.db2.gz PISNZKZCDMZTCI-UHFFFAOYSA-N 0 1 397.353 3.481 20 5 GGBDMN COc1cc(CN(CCc2ccccc2)[C@H]2CCOC2)c([N+](=O)[O-])cc1OC ZINC000180538789 1429893127 /nfs/dbraw/zinc/89/31/27/1429893127.db2.gz PPSINPLEMLWZSR-SFHVURJKSA-N 0 1 386.448 3.446 20 5 GGBDMN COc1cc(CN(CCc2ccccc2)[C@@H]2CCOC2)c([N+](=O)[O-])cc1OC ZINC000180538767 1429893137 /nfs/dbraw/zinc/89/31/37/1429893137.db2.gz PPSINPLEMLWZSR-GOSISDBHSA-N 0 1 386.448 3.446 20 5 GGBDMN COc1cc(CN2CCC[C@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])cc1OC ZINC000180602694 1429926878 /nfs/dbraw/zinc/92/68/78/1429926878.db2.gz VETYGUUIMCHTLB-HOCLYGCPSA-N 0 1 376.409 3.293 20 5 GGBDMN CC[C@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000180636773 1429947556 /nfs/dbraw/zinc/94/75/56/1429947556.db2.gz NQNPQMSYJBEFKU-GUYCJALGSA-N 0 1 385.420 3.434 20 5 GGBDMN CC[C@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000180644029 1429951111 /nfs/dbraw/zinc/95/11/11/1429951111.db2.gz UEQBKAZNEXTHOX-ZFWWWQNUSA-N 0 1 385.420 3.434 20 5 GGBDMN CC(C)CN1CCO[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000180722080 1430001142 /nfs/dbraw/zinc/00/11/42/1430001142.db2.gz AXXRAGFUXZBHKD-INIZCTEOSA-N 0 1 395.525 3.182 20 5 GGBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000180729546 1430004416 /nfs/dbraw/zinc/00/44/16/1430004416.db2.gz JCSQNICORFDUCC-HUUCEWRRSA-N 0 1 395.525 3.324 20 5 GGBDMN Cc1cc(N(C)Cc2ccc(-c3nn[n-]n3)cc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000826268963 1430015849 /nfs/dbraw/zinc/01/58/49/1430015849.db2.gz VIDJAVRYDDLYPF-UHFFFAOYSA-N 0 1 375.392 3.268 20 5 GGBDMN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(-n2cccn2)cc1 ZINC000180823001 1430058490 /nfs/dbraw/zinc/05/84/90/1430058490.db2.gz PVURXJGDZAAOHK-OAHLLOKOSA-N 0 1 391.431 3.020 20 5 GGBDMN COc1cc(CN2CC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000180850582 1430069290 /nfs/dbraw/zinc/06/92/90/1430069290.db2.gz FWJSPOOFNWWFMJ-NVXWUHKLSA-N 0 1 386.448 3.385 20 5 GGBDMN COc1ccc(CN2CC[C@@H](N[C@@H](C)c3cccc([N+](=O)[O-])c3C)C2=O)cc1 ZINC000180914695 1430109685 /nfs/dbraw/zinc/10/96/85/1430109685.db2.gz KIEABOFDRPZNEM-HNAYVOBHSA-N 0 1 383.448 3.364 20 5 GGBDMN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000180942239 1430126478 /nfs/dbraw/zinc/12/64/78/1430126478.db2.gz MENRUNNZKZIEKE-LLVKDONJSA-N 0 1 397.353 3.486 20 5 GGBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735912929 1430136434 /nfs/dbraw/zinc/13/64/34/1430136434.db2.gz JVHFSSXLWPGSDZ-UHFFFAOYSA-N 0 1 382.424 3.194 20 5 GGBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735912929 1430136436 /nfs/dbraw/zinc/13/64/36/1430136436.db2.gz JVHFSSXLWPGSDZ-UHFFFAOYSA-N 0 1 382.424 3.194 20 5 GGBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4c(N)cccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000181248346 1430256265 /nfs/dbraw/zinc/25/62/65/1430256265.db2.gz ZOCWXUYXLHTRAF-CYBMUJFWSA-N 0 1 379.420 3.382 20 5 GGBDMN CCOc1ccc([C@@H](C)N[C@@H]2CCN(c3ccccc3OC)C2=O)cc1[N+](=O)[O-] ZINC000181287345 1430263363 /nfs/dbraw/zinc/26/33/63/1430263363.db2.gz NDFQAQHMACQHIM-GDBMZVCRSA-N 0 1 399.447 3.458 20 5 GGBDMN CCOc1ccc([C@H](C)N[C@H]2CCN(c3ccccc3OC)C2=O)cc1[N+](=O)[O-] ZINC000181287398 1430263590 /nfs/dbraw/zinc/26/35/90/1430263590.db2.gz NDFQAQHMACQHIM-HOCLYGCPSA-N 0 1 399.447 3.458 20 5 GGBDMN C[C@@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000181404254 1430289799 /nfs/dbraw/zinc/28/97/99/1430289799.db2.gz DEWYVDFFCALJKR-LSDHHAIUSA-N 0 1 396.447 3.399 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181420115 1430294106 /nfs/dbraw/zinc/29/41/06/1430294106.db2.gz IEYRWLIRZGZVGR-HNNXBMFYSA-N 0 1 396.447 3.319 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181420136 1430294447 /nfs/dbraw/zinc/29/44/47/1430294447.db2.gz IEYRWLIRZGZVGR-OAHLLOKOSA-N 0 1 396.447 3.319 20 5 GGBDMN C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(N2CCCC2=O)c1 ZINC000181426860 1430296049 /nfs/dbraw/zinc/29/60/49/1430296049.db2.gz ILQPJRHKXAHURZ-OAHLLOKOSA-N 0 1 396.447 3.035 20 5 GGBDMN CCOc1ccc([C@H](C)N[C@@H]2CCCN(CC(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000181525987 1430315316 /nfs/dbraw/zinc/31/53/16/1430315316.db2.gz DYWKLLUDAOUSGB-WCQYABFASA-N 0 1 389.374 3.197 20 5 GGBDMN CC[C@@H](NCc1cccc(S(=O)(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000181546750 1430318179 /nfs/dbraw/zinc/31/81/79/1430318179.db2.gz GPEWDCBOAIFAFR-GOSISDBHSA-N 0 1 377.466 3.086 20 5 GGBDMN CC[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1cccc(S(N)(=O)=O)c1 ZINC000181746942 1430352046 /nfs/dbraw/zinc/35/20/46/1430352046.db2.gz AGQXILVNOFPVSV-SCLBCKFNSA-N 0 1 377.466 3.353 20 5 GGBDMN CC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1C)c1cccc(S(N)(=O)=O)c1 ZINC000181746960 1430352110 /nfs/dbraw/zinc/35/21/10/1430352110.db2.gz AGQXILVNOFPVSV-ACJLOTCBSA-N 0 1 377.466 3.353 20 5 GGBDMN Cc1ccc([C@@H](C)NCC(=O)Nc2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000181806572 1430364417 /nfs/dbraw/zinc/36/44/17/1430364417.db2.gz YRZJAVNFICOCOW-OAHLLOKOSA-N 0 1 396.447 3.319 20 5 GGBDMN Cc1ccc([C@H](C)NCC(=O)Nc2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000181806593 1430364631 /nfs/dbraw/zinc/36/46/31/1430364631.db2.gz YRZJAVNFICOCOW-HNNXBMFYSA-N 0 1 396.447 3.319 20 5 GGBDMN Cc1ccc([C@@H](C)NCC(=O)NCCCN(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000181811589 1430365327 /nfs/dbraw/zinc/36/53/27/1430365327.db2.gz UCXFTLXNVGSDGF-QGZVFWFLSA-N 0 1 384.480 3.197 20 5 GGBDMN Cc1ccc([C@H](C)NCC(=O)NCCO[C@@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000181814375 1430366004 /nfs/dbraw/zinc/36/60/04/1430366004.db2.gz BJTBIOTWXUXLBJ-TXPKVOOTSA-N 0 1 377.485 3.265 20 5 GGBDMN COc1cccc(S(=O)(=O)CCN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181818663 1430367038 /nfs/dbraw/zinc/36/70/38/1430367038.db2.gz RDQMHQZFMNAXDB-AWEZNQCLSA-N 0 1 378.450 3.036 20 5 GGBDMN CCOCc1ccccc1CNC(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181824178 1430367730 /nfs/dbraw/zinc/36/77/30/1430367730.db2.gz WIEMYZWKQXJEBD-INIZCTEOSA-N 0 1 385.464 3.407 20 5 GGBDMN Cc1ccc([C@@H](C)NCc2cccc(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC000181827114 1430368172 /nfs/dbraw/zinc/36/81/72/1430368172.db2.gz AZQUZVWFFHKWOE-CQSZACIVSA-N 0 1 377.466 3.004 20 5 GGBDMN Cc1ccc([C@@H](C)NCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000181833281 1430369237 /nfs/dbraw/zinc/36/92/37/1430369237.db2.gz LCKHFJRTLYZSDG-MRXNPFEDSA-N 0 1 398.463 3.029 20 5 GGBDMN COc1ccc(NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000181842891 1430370791 /nfs/dbraw/zinc/37/07/91/1430370791.db2.gz NHSUHMCXILOHRU-GFCCVEGCSA-N 0 1 388.380 3.109 20 5 GGBDMN CCOC(=O)c1ccc(NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181842843 1430370942 /nfs/dbraw/zinc/37/09/42/1430370942.db2.gz KOXBXPODTDSOPI-AWEZNQCLSA-N 0 1 385.420 3.369 20 5 GGBDMN Cc1ccc([C@H](C)NCC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1[N+](=O)[O-] ZINC000181843336 1430371001 /nfs/dbraw/zinc/37/10/01/1430371001.db2.gz SFNVJZOPYIOFKF-AWEZNQCLSA-N 0 1 396.447 3.085 20 5 GGBDMN CC[C@H](C)Oc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)ccn1 ZINC000181888050 1430378021 /nfs/dbraw/zinc/37/80/21/1430378021.db2.gz MRDWOPNFJKPWPY-NSHDSACASA-N 0 1 382.380 3.205 20 5 GGBDMN Cc1ccc([C@@H]2CSCCN2C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000181890976 1430378625 /nfs/dbraw/zinc/37/86/25/1430378625.db2.gz IRSPJLDXGNEJQX-HKUYNNGSSA-N 0 1 388.489 3.433 20 5 GGBDMN COc1ccc(NC(=O)CN[C@H](C)c2cccc(N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000181891961 1430378880 /nfs/dbraw/zinc/37/88/80/1430378880.db2.gz KKUPVJDFCQPUMN-OAHLLOKOSA-N 0 1 398.463 3.493 20 5 GGBDMN C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC[N@H+]1Cc1ccccc1 ZINC000182036940 1430399736 /nfs/dbraw/zinc/39/97/36/1430399736.db2.gz XWMLSRFHWPMBIE-RDJZCZTQSA-N 0 1 383.448 3.426 20 5 GGBDMN C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC[N@H+]1Cc1ccccc1 ZINC000182036907 1430399824 /nfs/dbraw/zinc/39/98/24/1430399824.db2.gz XWMLSRFHWPMBIE-DOTOQJQBSA-N 0 1 383.448 3.426 20 5 GGBDMN Cc1cccnc1[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000182175323 1430424559 /nfs/dbraw/zinc/42/45/59/1430424559.db2.gz PTKNIBHMUJYTHH-QGZVFWFLSA-N 0 1 377.466 3.059 20 5 GGBDMN Cc1ccc2nc(CNC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)[nH]c2c1 ZINC000182259287 1430438555 /nfs/dbraw/zinc/43/85/55/1430438555.db2.gz XKNNIALFYHRVND-UHFFFAOYSA-N 0 1 376.319 3.311 20 5 GGBDMN Cc1c(NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)cccc1[N+](=O)[O-] ZINC000182265296 1430439594 /nfs/dbraw/zinc/43/95/94/1430439594.db2.gz HCSKRELCCMWERH-UHFFFAOYSA-N 0 1 391.327 3.040 20 5 GGBDMN CN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000182265244 1430439704 /nfs/dbraw/zinc/43/97/04/1430439704.db2.gz OUYVBXJUZCSAOD-QGZVFWFLSA-N 0 1 397.431 3.060 20 5 GGBDMN C[C@H](C(=O)NC[C@H](c1ccco1)N1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000182289320 1430443018 /nfs/dbraw/zinc/44/30/18/1430443018.db2.gz NALQLXKPTVWZMZ-SUMWQHHRSA-N 0 1 375.400 3.384 20 5 GGBDMN CC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000182447899 1430469071 /nfs/dbraw/zinc/46/90/71/1430469071.db2.gz XVCBRUUQFQZMHN-KRWDZBQOSA-N 0 1 393.421 3.018 20 5 GGBDMN CC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000182447920 1430469208 /nfs/dbraw/zinc/46/92/08/1430469208.db2.gz XVCBRUUQFQZMHN-QGZVFWFLSA-N 0 1 393.421 3.018 20 5 GGBDMN CCC[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CCN1Cc1ccccc1 ZINC000182493518 1430477191 /nfs/dbraw/zinc/47/71/91/1430477191.db2.gz SPQQSUBJQQUFDT-IBGZPJMESA-N 0 1 399.495 3.003 20 5 GGBDMN CCc1cc(=O)c2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2[nH]1 ZINC000182498201 1430478458 /nfs/dbraw/zinc/47/84/58/1430478458.db2.gz LLOKHYSDLLSAEI-UHFFFAOYSA-N 0 1 387.417 3.108 20 5 GGBDMN CC(=O)Nc1cccc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000182524801 1430483464 /nfs/dbraw/zinc/48/34/64/1430483464.db2.gz MUPRMGRSULZHPE-LLVKDONJSA-N 0 1 390.827 3.496 20 5 GGBDMN CCC(CC)n1nc(C)cc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000182536019 1430485833 /nfs/dbraw/zinc/48/58/33/1430485833.db2.gz HEUKFIHFFSKXQR-UHFFFAOYSA-N 0 1 383.412 3.498 20 5 GGBDMN CC(=O)Nc1cccc([C@@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000182551478 1430489659 /nfs/dbraw/zinc/48/96/59/1430489659.db2.gz DRCFGJZWNUXGPQ-LLVKDONJSA-N 0 1 390.827 3.496 20 5 GGBDMN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000182550984 1430489728 /nfs/dbraw/zinc/48/97/28/1430489728.db2.gz MHRBEZBPUYLIIN-NVXWUHKLSA-N 0 1 386.795 3.385 20 5 GGBDMN O=C(N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000182724076 1430527597 /nfs/dbraw/zinc/52/75/97/1430527597.db2.gz UKCKCQSLVRLYIX-WBVHZDCISA-N 0 1 388.330 3.009 20 5 GGBDMN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000182734005 1430529587 /nfs/dbraw/zinc/52/95/87/1430529587.db2.gz BFLRHBQDNZRVTG-UHFFFAOYSA-N 0 1 396.375 3.393 20 5 GGBDMN Cc1nn(CC(=O)OC(C)C)c(C)c1CNC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000184063776 1430836698 /nfs/dbraw/zinc/83/66/98/1430836698.db2.gz KQCMDCKNWGQORO-UHFFFAOYSA-N 0 1 388.468 3.385 20 5 GGBDMN CCN(CC)[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000184130741 1430845248 /nfs/dbraw/zinc/84/52/48/1430845248.db2.gz KMPCHDYAHHFRKN-LJQANCHMSA-N 0 1 391.493 3.097 20 5 GGBDMN CN(C)[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000184647875 1430929405 /nfs/dbraw/zinc/92/94/05/1430929405.db2.gz NGJJFOUOFCTQQA-QGZVFWFLSA-N 0 1 394.834 3.489 20 5 GGBDMN C[C@H](C(=O)NC[C@H](c1cccc(F)c1)N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000184770547 1430971993 /nfs/dbraw/zinc/97/19/93/1430971993.db2.gz WEVPDNQVSFOZLM-KPZWWZAWSA-N 0 1 377.391 3.396 20 5 GGBDMN CCc1ccc([C@H](COC)NCCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000184807681 1430984233 /nfs/dbraw/zinc/98/42/33/1430984233.db2.gz OISCWVDYZBVKHL-INIZCTEOSA-N 0 1 391.424 3.065 20 5 GGBDMN CCc1ccc([C@H](COC)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000184832573 1430995555 /nfs/dbraw/zinc/99/55/55/1430995555.db2.gz PFAQKWZDIFWUNK-KRWDZBQOSA-N 0 1 375.425 3.365 20 5 GGBDMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184837702 1430999392 /nfs/dbraw/zinc/99/93/92/1430999392.db2.gz PULNYAOCYZYWDG-KRWDZBQOSA-N 0 1 383.448 3.285 20 5 GGBDMN C[C@@H](C(=O)NC1CCN(Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185030998 1431045177 /nfs/dbraw/zinc/04/51/77/1431045177.db2.gz HOVYDTWYKNYZBO-CQSZACIVSA-N 0 1 386.427 3.013 20 5 GGBDMN CCN(C)C(=O)CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000185186087 1431080048 /nfs/dbraw/zinc/08/00/48/1431080048.db2.gz ZCEMYHRYGJQPTJ-UHFFFAOYSA-N 0 1 393.447 3.015 20 5 GGBDMN Cc1ccc([C@@H](C)NCc2cccc(N3CCCS3(=O)=O)c2)cc1[N+](=O)[O-] ZINC000185291954 1431101232 /nfs/dbraw/zinc/10/12/32/1431101232.db2.gz MQCVLBYRGUNMOD-OAHLLOKOSA-N 0 1 389.477 3.294 20 5 GGBDMN Cc1ccc([C@H](C)NCc2cccc(N3CCCS3(=O)=O)c2)cc1[N+](=O)[O-] ZINC000185291973 1431101533 /nfs/dbraw/zinc/10/15/33/1431101533.db2.gz MQCVLBYRGUNMOD-HNNXBMFYSA-N 0 1 389.477 3.294 20 5 GGBDMN Cc1c([C@H](C)NCc2cccc(N3CCCS3(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000185300700 1431105409 /nfs/dbraw/zinc/10/54/09/1431105409.db2.gz POVFFFUYRNPOOP-HNNXBMFYSA-N 0 1 389.477 3.294 20 5 GGBDMN Cc1ccc([C@@H](C)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000185343944 1431120770 /nfs/dbraw/zinc/12/07/70/1431120770.db2.gz GADCSQGEMFSYFP-YLJYHZDGSA-N 0 1 397.475 3.024 20 5 GGBDMN Cc1ccc([C@@H](C)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000185343900 1431120990 /nfs/dbraw/zinc/12/09/90/1431120990.db2.gz GADCSQGEMFSYFP-XLIONFOSSA-N 0 1 397.475 3.024 20 5 GGBDMN Cc1c([C@H](C)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000185351738 1431123488 /nfs/dbraw/zinc/12/34/88/1431123488.db2.gz GRCZHGVPJRXGIH-FXAWDEMLSA-N 0 1 397.475 3.024 20 5 GGBDMN Cn1cc([C@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])c2ccc(F)cc2)cn1 ZINC000185442606 1431146235 /nfs/dbraw/zinc/14/62/35/1431146235.db2.gz PDKIJUHMZNRJHW-HXUWFJFHSA-N 0 1 397.410 3.175 20 5 GGBDMN C[C@H](c1ccsc1)N1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000185462236 1431150342 /nfs/dbraw/zinc/15/03/42/1431150342.db2.gz AFXVMXSKVPFODX-OAHLLOKOSA-N 0 1 388.493 3.364 20 5 GGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185964227 1431299873 /nfs/dbraw/zinc/29/98/73/1431299873.db2.gz XTFCEYVIZCNQNE-MRXNPFEDSA-N 0 1 386.795 3.338 20 5 GGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(C(=O)C(F)(F)F)CC1 ZINC000186071085 1431324183 /nfs/dbraw/zinc/32/41/83/1431324183.db2.gz WCLYLHUBSYCSJE-UHFFFAOYSA-N 0 1 387.358 3.075 20 5 GGBDMN CCc1[nH]nc(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)c1[N+](=O)[O-] ZINC000186157530 1431343630 /nfs/dbraw/zinc/34/36/30/1431343630.db2.gz FDLPAORESRKTRG-UHFFFAOYSA-N 0 1 396.791 3.444 20 5 GGBDMN COc1ccccc1[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)OC(C)C ZINC000186531398 1431447470 /nfs/dbraw/zinc/44/74/70/1431447470.db2.gz MBYHYVKCOBPOGQ-GOSISDBHSA-N 0 1 398.419 3.376 20 5 GGBDMN Cn1cc(CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c2ccc(F)cc21 ZINC000186598448 1431464889 /nfs/dbraw/zinc/46/48/89/1431464889.db2.gz DKKONVPMIMRDCL-UHFFFAOYSA-N 0 1 381.367 3.074 20 5 GGBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000186672701 1431487652 /nfs/dbraw/zinc/48/76/52/1431487652.db2.gz JEOPMORZZOKVDM-UHFFFAOYSA-N 0 1 395.419 3.147 20 5 GGBDMN CCOC(=O)C[C@](C)(NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000186704223 1431496266 /nfs/dbraw/zinc/49/62/66/1431496266.db2.gz FYPIELBZPYWUSZ-SFHVURJKSA-N 0 1 376.413 3.102 20 5 GGBDMN C[C@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000186711199 1431498142 /nfs/dbraw/zinc/49/81/42/1431498142.db2.gz FVRAXUHPFXCMSG-ZDUSSCGKSA-N 0 1 393.440 3.125 20 5 GGBDMN O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187040849 1431597971 /nfs/dbraw/zinc/59/79/71/1431597971.db2.gz OAXVPUVLTACGHW-UHFFFAOYSA-N 0 1 384.436 3.001 20 5 GGBDMN C[C@H](CN(C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1nn[nH]n1 ZINC000187270202 1431675154 /nfs/dbraw/zinc/67/51/54/1431675154.db2.gz FRHLMRZYKKOYFP-GFCCVEGCSA-N 0 1 398.448 3.135 20 5 GGBDMN COc1c(F)cc(S(=O)(=O)Nc2ccc(-c3cnco3)cc2)cc1[N+](=O)[O-] ZINC000187299214 1431686829 /nfs/dbraw/zinc/68/68/29/1431686829.db2.gz QUPIZFCMKSJFLD-UHFFFAOYSA-N 0 1 393.352 3.198 20 5 GGBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cnn(Cc4ccc(F)cc4)c3)C2)nc1 ZINC000187341373 1431702851 /nfs/dbraw/zinc/70/28/51/1431702851.db2.gz PISJSFIPRSSLKB-GOSISDBHSA-N 0 1 396.426 3.060 20 5 GGBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3nnc(C(C)C)n3c2)c1C ZINC000187781300 1431811661 /nfs/dbraw/zinc/81/16/61/1431811661.db2.gz AENQHLBOYKIZMU-UHFFFAOYSA-N 0 1 389.437 3.179 20 5 GGBDMN CCN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](C)Cc1ccsc1 ZINC000187807527 1431814686 /nfs/dbraw/zinc/81/46/86/1431814686.db2.gz GENNVLLEVUABRV-LBPRGKRZSA-N 0 1 391.449 3.277 20 5 GGBDMN CSc1cccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1[N+](=O)[O-] ZINC000188263351 1431866949 /nfs/dbraw/zinc/86/69/49/1431866949.db2.gz XXPWJPRPZRFOAE-GFCCVEGCSA-N 0 1 387.465 3.332 20 5 GGBDMN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000188325029 1431873357 /nfs/dbraw/zinc/87/33/57/1431873357.db2.gz VEHXEXZCWVAVLV-OAHLLOKOSA-N 0 1 389.477 3.328 20 5 GGBDMN COc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc([N+](=O)[O-])c1C ZINC000189076184 1432040481 /nfs/dbraw/zinc/04/04/81/1432040481.db2.gz PKPRCEVQLJXIBW-KRWDZBQOSA-N 0 1 375.400 3.084 20 5 GGBDMN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1CN1CCCC1 ZINC000189594023 1432170275 /nfs/dbraw/zinc/17/02/75/1432170275.db2.gz BNTBXOMYHJEJHZ-UHFFFAOYSA-N 0 1 389.477 3.206 20 5 GGBDMN COc1cc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc([N+](=O)[O-])c1C ZINC000189687698 1432204715 /nfs/dbraw/zinc/20/47/15/1432204715.db2.gz GCXLBVRWCNMGIM-HNNXBMFYSA-N 0 1 398.463 3.262 20 5 GGBDMN CC[C@@](C)(O)CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000189727937 1432217110 /nfs/dbraw/zinc/21/71/10/1432217110.db2.gz PLGNHCOTFLJUPU-OAQYLSRUSA-N 0 1 385.464 3.221 20 5 GGBDMN CC[C@](C)(O)CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000189739827 1432220589 /nfs/dbraw/zinc/22/05/89/1432220589.db2.gz DGBSDSPCVIARBD-QFIPXVFZSA-N 0 1 397.475 3.147 20 5 GGBDMN COc1cc(C(=O)Nc2ccccc2CN2CCC(O)CC2)cc([N+](=O)[O-])c1C ZINC000189866769 1432257527 /nfs/dbraw/zinc/25/75/27/1432257527.db2.gz GVLUWDRNLFOGIO-UHFFFAOYSA-N 0 1 399.447 3.121 20 5 GGBDMN O=C(NC1(c2nnc[nH]2)CCC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000190365872 1432367881 /nfs/dbraw/zinc/36/78/81/1432367881.db2.gz QCSKQUJIMQKRDN-UHFFFAOYSA-N 0 1 378.392 3.266 20 5 GGBDMN COc1c(F)cc(S(=O)(=O)Nc2cccc3ccn(C)c32)cc1[N+](=O)[O-] ZINC000190849346 1432506134 /nfs/dbraw/zinc/50/61/34/1432506134.db2.gz DLSIVXUBVGIGTP-UHFFFAOYSA-N 0 1 379.369 3.035 20 5 GGBDMN COc1cc(C(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)cc([N+](=O)[O-])c1C ZINC000190967680 1432539952 /nfs/dbraw/zinc/53/99/52/1432539952.db2.gz HOVZVHINAZYEDO-QGZVFWFLSA-N 0 1 387.436 3.380 20 5 GGBDMN COc1cc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc([N+](=O)[O-])c1C ZINC000191299591 1432624499 /nfs/dbraw/zinc/62/44/99/1432624499.db2.gz YHDLQGSTPHKEJM-QGZVFWFLSA-N 0 1 375.400 3.084 20 5 GGBDMN COc1cc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc([N+](=O)[O-])c1C ZINC000191299576 1432624579 /nfs/dbraw/zinc/62/45/79/1432624579.db2.gz YHDLQGSTPHKEJM-KRWDZBQOSA-N 0 1 375.400 3.084 20 5 GGBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000191320748 1432631326 /nfs/dbraw/zinc/63/13/26/1432631326.db2.gz BVIOIISHKNVGEX-UHFFFAOYSA-N 0 1 383.452 3.393 20 5 GGBDMN CCC[C@H]1CN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CCN1CCOC ZINC000191413265 1432656946 /nfs/dbraw/zinc/65/69/46/1432656946.db2.gz WQNLPCGWFZKRPE-INIZCTEOSA-N 0 1 378.473 3.176 20 5 GGBDMN O=C(NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000191681744 1432704812 /nfs/dbraw/zinc/70/48/12/1432704812.db2.gz WTQCXVFZYJNUSZ-UHFFFAOYSA-N 0 1 388.733 3.452 20 5 GGBDMN CCc1cc(C2CC2)nc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)n1 ZINC000191846284 1432739054 /nfs/dbraw/zinc/73/90/54/1432739054.db2.gz RDKXSYITQVFSSA-UHFFFAOYSA-N 0 1 376.438 3.242 20 5 GGBDMN CN1CCC(N(c2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000191946483 1432762622 /nfs/dbraw/zinc/76/26/22/1432762622.db2.gz JDIJZIULAKCEMX-UHFFFAOYSA-N 0 1 393.440 3.023 20 5 GGBDMN CCN1CCC(N(c2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000191977544 1432773458 /nfs/dbraw/zinc/77/34/58/1432773458.db2.gz SJXZYMBVZDHMBO-UHFFFAOYSA-N 0 1 389.477 3.274 20 5 GGBDMN CN(C(=O)CN[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000192024014 1432781077 /nfs/dbraw/zinc/78/10/77/1432781077.db2.gz MZGGJJUFUUPMOA-PKOBYXMFSA-N 0 1 389.839 3.331 20 5 GGBDMN O=C(CN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000192024411 1432781088 /nfs/dbraw/zinc/78/10/88/1432781088.db2.gz YREHWXIKDJQNGB-QAPCUYQASA-N 0 1 375.812 3.307 20 5 GGBDMN O=C(CN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000192075570 1432793445 /nfs/dbraw/zinc/79/34/45/1432793445.db2.gz IMUWACAMHUJLMU-CRAIPNDOSA-N 0 1 393.802 3.446 20 5 GGBDMN O=C(CN[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000192075588 1432793709 /nfs/dbraw/zinc/79/37/09/1432793709.db2.gz IMUWACAMHUJLMU-YJBOKZPZSA-N 0 1 393.802 3.446 20 5 GGBDMN NC(=O)c1ccc(CN[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000192093468 1432797174 /nfs/dbraw/zinc/79/71/74/1432797174.db2.gz CXVWGRFYCYDBTP-NVXWUHKLSA-N 0 1 393.802 3.106 20 5 GGBDMN Cc1ccc([C@H](C)NCCN(Cc2ccccc2)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000192162380 1432810220 /nfs/dbraw/zinc/81/02/20/1432810220.db2.gz GQEKDYUZYJPKAJ-INIZCTEOSA-N 0 1 391.493 3.016 20 5 GGBDMN COc1ccc(NC(=O)[C@H](C)N[C@H]2CCCc3c(O)cccc32)c([N+](=O)[O-])c1 ZINC000192360222 1432836765 /nfs/dbraw/zinc/83/67/65/1432836765.db2.gz UNAMLOYPTJMQHN-LRDDRELGSA-N 0 1 385.420 3.303 20 5 GGBDMN CCOc1ccc(NC(=O)CN[C@@H]2CCCc3c(O)cccc32)c([N+](=O)[O-])c1 ZINC000192365902 1432837782 /nfs/dbraw/zinc/83/77/82/1432837782.db2.gz DPOGVDXAWICURE-MRXNPFEDSA-N 0 1 385.420 3.305 20 5 GGBDMN CCc1[nH]nc(C(=O)N(CCc2ccccc2)Cc2ccncc2)c1[N+](=O)[O-] ZINC000192479228 1432849711 /nfs/dbraw/zinc/84/97/11/1432849711.db2.gz HNJZHQGVTVRPIO-UHFFFAOYSA-N 0 1 379.420 3.160 20 5 GGBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(OCc3ccccn3)c2)c1 ZINC000192717797 1432879195 /nfs/dbraw/zinc/87/91/95/1432879195.db2.gz KJIJGJWOGRFQHU-UHFFFAOYSA-N 0 1 385.401 3.370 20 5 GGBDMN COc1ccccc1[C@H](CNC(=O)c1c(C)cccc1[N+](=O)[O-])N1CCCC1 ZINC000192912652 1432906420 /nfs/dbraw/zinc/90/64/20/1432906420.db2.gz PEOQMRKZWQCBAE-SFHVURJKSA-N 0 1 383.448 3.479 20 5 GGBDMN COc1ccc(CN2CC[C@H](N[C@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)cc1 ZINC000192998945 1432919616 /nfs/dbraw/zinc/91/96/16/1432919616.db2.gz KFAOYBCLYYMFQK-SFTDATJTSA-N 0 1 395.459 3.372 20 5 GGBDMN Cc1ccc(Cl)cc1N1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000193143307 1432943553 /nfs/dbraw/zinc/94/35/53/1432943553.db2.gz ZIHUGVCZYOTJTQ-UHFFFAOYSA-N 0 1 399.838 3.395 20 5 GGBDMN O=C1CCc2cc([N+](=O)[O-])c(N3CCCN(Cc4ccc(F)cc4)CC3)cc2N1 ZINC000193746313 1433051172 /nfs/dbraw/zinc/05/11/72/1433051172.db2.gz WYIGOEXLNVHWAH-UHFFFAOYSA-N 0 1 398.438 3.331 20 5 GGBDMN CN(c1ccccc1)C1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000193929353 1433086896 /nfs/dbraw/zinc/08/68/96/1433086896.db2.gz DMGFLTFABMAYHO-UHFFFAOYSA-N 0 1 379.420 3.212 20 5 GGBDMN COc1cc(CN2CCC[C@@H](c3cc[nH]n3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000193999169 1433098614 /nfs/dbraw/zinc/09/86/14/1433098614.db2.gz MLDWUXZDGPMTFE-LLVKDONJSA-N 0 1 382.367 3.308 20 5 GGBDMN CCN(C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000194029444 1433103827 /nfs/dbraw/zinc/10/38/27/1433103827.db2.gz ZDLWJZDSKROUDL-GFCCVEGCSA-N 0 1 390.362 3.209 20 5 GGBDMN COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000194055776 1433108960 /nfs/dbraw/zinc/10/89/60/1433108960.db2.gz XORROKAXRUUPGF-UONOGXRCSA-N 0 1 385.420 3.368 20 5 GGBDMN CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000194118191 1433120656 /nfs/dbraw/zinc/12/06/56/1433120656.db2.gz UEYFXASRCODIIV-CQSZACIVSA-N 0 1 396.403 3.163 20 5 GGBDMN CC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cc1 ZINC000194133942 1433123258 /nfs/dbraw/zinc/12/32/58/1433123258.db2.gz YDQFYYGBRVBHAK-UHFFFAOYSA-N 0 1 399.222 3.361 20 5 GGBDMN COc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1 ZINC000194134169 1433123269 /nfs/dbraw/zinc/12/32/69/1433123269.db2.gz KMOHJBHYSPEZDY-UHFFFAOYSA-N 0 1 387.211 3.167 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCO3)cc1Br ZINC000194173376 1433131769 /nfs/dbraw/zinc/13/17/69/1433131769.db2.gz IINCWAMUEGALMJ-UHFFFAOYSA-N 0 1 399.222 3.093 20 5 GGBDMN O=C(NCCN1CCCCC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000194267694 1433152897 /nfs/dbraw/zinc/15/28/97/1433152897.db2.gz NVWFXOUUSYOJEG-UHFFFAOYSA-N 0 1 383.448 3.390 20 5 GGBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000194399563 1433172311 /nfs/dbraw/zinc/17/23/11/1433172311.db2.gz QYPRGYWFMBWJAJ-IAGOWNOFSA-N 0 1 397.475 3.442 20 5 GGBDMN Cc1ccc(CS(=O)(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c(F)c1 ZINC000194618160 1433206320 /nfs/dbraw/zinc/20/63/20/1433206320.db2.gz ZMLPENBZEPSAPR-UHFFFAOYSA-N 0 1 390.396 3.374 20 5 GGBDMN Cc1ccc(CS(=O)(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c(F)c1 ZINC000194618160 1433206323 /nfs/dbraw/zinc/20/63/23/1433206323.db2.gz ZMLPENBZEPSAPR-UHFFFAOYSA-N 0 1 390.396 3.374 20 5 GGBDMN Cn1ccnc1Sc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194626715 1433207372 /nfs/dbraw/zinc/20/73/72/1433207372.db2.gz PHZXFTQBDBQGSI-UHFFFAOYSA-N 0 1 390.446 3.280 20 5 GGBDMN CCOC(=O)[C@]1(C(C)C)CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000194855824 1433249534 /nfs/dbraw/zinc/24/95/34/1433249534.db2.gz MWGXQTKFFOOAKJ-LJQANCHMSA-N 0 1 388.424 3.056 20 5 GGBDMN CCOC(=O)[C@@]1(C(C)C)CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000194855837 1433249584 /nfs/dbraw/zinc/24/95/84/1433249584.db2.gz MWGXQTKFFOOAKJ-IBGZPJMESA-N 0 1 388.424 3.056 20 5 GGBDMN CCOC(=O)[C@@]1(C(C)C)CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000194860902 1433250587 /nfs/dbraw/zinc/25/05/87/1433250587.db2.gz DQHQKHKNIUJXRM-IBGZPJMESA-N 0 1 388.424 3.056 20 5 GGBDMN COc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)N2CCCCC2)cc1 ZINC000195128889 1433296531 /nfs/dbraw/zinc/29/65/31/1433296531.db2.gz HFZRKWNQJHTBHU-HXUWFJFHSA-N 0 1 398.463 3.143 20 5 GGBDMN CCc1n[nH]c(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)c1[N+](=O)[O-] ZINC000195372633 1433323660 /nfs/dbraw/zinc/32/36/60/1433323660.db2.gz ZPGYTYSANPIYNO-QGZVFWFLSA-N 0 1 390.403 3.276 20 5 GGBDMN COc1cccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000195435666 1433329425 /nfs/dbraw/zinc/32/94/25/1433329425.db2.gz SROYBNCDPWEDHS-UHFFFAOYSA-N 0 1 387.411 3.137 20 5 GGBDMN CCc1cc(NC[C@@H]2CN(CC(C)C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000195607710 1433341594 /nfs/dbraw/zinc/34/15/94/1433341594.db2.gz JWXIKWHERNDZJH-LJQANCHMSA-N 0 1 399.495 3.383 20 5 GGBDMN COc1cc(CNCCOc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1O ZINC000237181573 1433391642 /nfs/dbraw/zinc/39/16/42/1433391642.db2.gz ULIPHWMFEXIEJF-UHFFFAOYSA-N 0 1 386.326 3.496 20 5 GGBDMN COc1cccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1OC ZINC000237390223 1433400396 /nfs/dbraw/zinc/40/03/96/1433400396.db2.gz MFJPFYITAWOLAU-UHFFFAOYSA-N 0 1 382.420 3.302 20 5 GGBDMN Cc1ccc([C@H](CNCc2cc([N+](=O)[O-])ccc2Cl)N2CCOCC2)o1 ZINC000237629591 1433413714 /nfs/dbraw/zinc/41/37/14/1433413714.db2.gz OXOJMKDEVFAUJN-KRWDZBQOSA-N 0 1 379.844 3.313 20 5 GGBDMN Cn1cc(CNCc2ccc(OCC3CC3)nc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237777349 1433423314 /nfs/dbraw/zinc/42/33/14/1433423314.db2.gz JQJRHCNBRNBZMV-UHFFFAOYSA-N 0 1 393.447 3.469 20 5 GGBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000245454035 1433470888 /nfs/dbraw/zinc/47/08/88/1433470888.db2.gz RPRCNYTYNSXJIZ-FUHWJXTLSA-N 0 1 383.448 3.461 20 5 GGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000245667311 1433497043 /nfs/dbraw/zinc/49/70/43/1433497043.db2.gz HHCODJUAWKVEHI-FQEVSTJZSA-N 0 1 382.464 3.221 20 5 GGBDMN O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000245718783 1433505503 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/nfs/dbraw/zinc/63/04/26/1433630426.db2.gz DQTNBWZNEVQMBM-HZPDHXFCSA-N 0 1 391.468 3.286 20 5 GGBDMN CCOC(=O)CC[C@H]1CCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000246554942 1433630429 /nfs/dbraw/zinc/63/04/29/1433630429.db2.gz DQTNBWZNEVQMBM-HZPDHXFCSA-N 0 1 391.468 3.286 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@H](Cc2ccccc2)C1 ZINC000246785117 1433665919 /nfs/dbraw/zinc/66/59/19/1433665919.db2.gz OTJZYCGCIAYOSV-WBVHZDCISA-N 0 1 383.448 3.495 20 5 GGBDMN COc1cc(C[N@@H+](C)C[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000246815252 1433672795 /nfs/dbraw/zinc/67/27/95/1433672795.db2.gz REXRAIRGCUFBEF-SMDDNHRTSA-N 0 1 392.374 3.137 20 5 GGBDMN COc1cc(CN(C)C[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000246815252 1433672796 /nfs/dbraw/zinc/67/27/96/1433672796.db2.gz REXRAIRGCUFBEF-SMDDNHRTSA-N 0 1 392.374 3.137 20 5 GGBDMN NC(=O)c1ccc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000247710092 1433747492 /nfs/dbraw/zinc/74/74/92/1433747492.db2.gz INZIPOKKPBZLQV-UHFFFAOYSA-N 0 1 389.824 3.425 20 5 GGBDMN Cc1ccc([C@@H]2CSCCN2C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000248450654 1433803608 /nfs/dbraw/zinc/80/36/08/1433803608.db2.gz IRSPJLDXGNEJQX-MJGOQNOKSA-N 0 1 388.489 3.433 20 5 GGBDMN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000249731473 1433850275 /nfs/dbraw/zinc/85/02/75/1433850275.db2.gz APJGPUBWIOMWMA-WBAXXEDZSA-N 0 1 389.452 3.038 20 5 GGBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262733950 1433952904 /nfs/dbraw/zinc/95/29/04/1433952904.db2.gz BWHXBNMBGRDROI-CHWSQXEVSA-N 0 1 376.331 3.077 20 5 GGBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262733950 1433952907 /nfs/dbraw/zinc/95/29/07/1433952907.db2.gz BWHXBNMBGRDROI-CHWSQXEVSA-N 0 1 376.331 3.077 20 5 GGBDMN COc1cc(C[N@@H+](C)C[C@@H](C)C(=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000263483547 1434008721 /nfs/dbraw/zinc/00/87/21/1434008721.db2.gz GTZJFORCMQTEME-CQSZACIVSA-N 0 1 388.420 3.335 20 5 GGBDMN CC[N@@H+](CC(=O)[O-])C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000263502156 1434009230 /nfs/dbraw/zinc/00/92/30/1434009230.db2.gz LAVXDXLNWQTNHI-UHFFFAOYSA-N 0 1 387.436 3.226 20 5 GGBDMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000263521635 1434010932 /nfs/dbraw/zinc/01/09/32/1434010932.db2.gz RGEOSYPNPJKNFJ-HNNXBMFYSA-N 0 1 387.436 3.226 20 5 GGBDMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000263560372 1434013294 /nfs/dbraw/zinc/01/32/94/1434013294.db2.gz RCHYBEGPTSMBSS-INIZCTEOSA-N 0 1 384.436 3.032 20 5 GGBDMN CC[N@@H+](CC(=O)[O-])C1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000263568770 1434013919 /nfs/dbraw/zinc/01/39/19/1434013919.db2.gz YTNJCQAVOCTNGE-UHFFFAOYSA-N 0 1 384.436 3.032 20 5 GGBDMN CCCc1[nH]nc(C(=O)Nc2nnc(Cc3cccc(F)c3)s2)c1[N+](=O)[O-] ZINC000264622715 1434136132 /nfs/dbraw/zinc/13/61/32/1434136132.db2.gz RSJWRADNIUPENA-UHFFFAOYSA-N 0 1 390.400 3.104 20 5 GGBDMN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC1CCN(Cc2ccccn2)CC1 ZINC000266392253 1434329523 /nfs/dbraw/zinc/32/95/23/1434329523.db2.gz OHBXGQGWIIDWDN-UHFFFAOYSA-N 0 1 397.435 3.023 20 5 GGBDMN C[C@@H](N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000267408381 1434429911 /nfs/dbraw/zinc/42/99/11/1434429911.db2.gz HNANDLMOLUOOFD-ZIAGYGMSSA-N 0 1 377.466 3.257 20 5 GGBDMN C[C@H](N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000267408368 1434429929 /nfs/dbraw/zinc/42/99/29/1434429929.db2.gz HNANDLMOLUOOFD-KBPBESRZSA-N 0 1 377.466 3.257 20 5 GGBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(C2(C)OCCO2)CC1 ZINC000268197610 1434501216 /nfs/dbraw/zinc/50/12/16/1434501216.db2.gz YLRQYDICBSMMDO-ZDUSSCGKSA-N 0 1 388.424 3.181 20 5 GGBDMN CC(=O)N1CCN(c2ccccc2CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000268807474 1434559932 /nfs/dbraw/zinc/55/99/32/1434559932.db2.gz GEMOUCMEHODRQE-INIZCTEOSA-N 0 1 382.464 3.114 20 5 GGBDMN Cc1ccc([C@H](C)NCc2cccc(C(=O)N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000268812622 1434560166 /nfs/dbraw/zinc/56/01/66/1434560166.db2.gz OQRUVUGJXDOTEF-INIZCTEOSA-N 0 1 383.448 3.226 20 5 GGBDMN CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269203356 1434606658 /nfs/dbraw/zinc/60/66/58/1434606658.db2.gz SFKLEZFMYXSLKS-UHFFFAOYSA-N 0 1 384.436 3.074 20 5 GGBDMN CC(C)c1n[n-]c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000269419606 1434642415 /nfs/dbraw/zinc/64/24/15/1434642415.db2.gz XDDSJQLJEJFBRT-GFCCVEGCSA-N 0 1 377.470 3.070 20 5 GGBDMN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269495784 1434653827 /nfs/dbraw/zinc/65/38/27/1434653827.db2.gz MHCMSIXCGHWDOM-UHFFFAOYSA-N 0 1 387.440 3.159 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269510544 1434655067 /nfs/dbraw/zinc/65/50/67/1434655067.db2.gz OOZMXBVNJFOAAL-FZMZJTMJSA-N 0 1 376.388 3.183 20 5 GGBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000269587806 1434661540 /nfs/dbraw/zinc/66/15/40/1434661540.db2.gz BYHMSMNHYHFFIY-MRXNPFEDSA-N 0 1 397.479 3.057 20 5 GGBDMN O=C(Nc1cccc(F)c1)C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269705653 1434670684 /nfs/dbraw/zinc/67/06/84/1434670684.db2.gz ZSHWZWIJOGICCP-LJQANCHMSA-N 0 1 387.411 3.118 20 5 GGBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270264315 1434717824 /nfs/dbraw/zinc/71/78/24/1434717824.db2.gz PUMJMZAHYOQOHJ-UHFFFAOYSA-N 0 1 397.479 3.019 20 5 GGBDMN Cc1nc([C@@H]2CCCN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)C2)n[nH]1 ZINC000270268734 1434718091 /nfs/dbraw/zinc/71/80/91/1434718091.db2.gz VVHGJGNLMIRALX-OAHLLOKOSA-N 0 1 379.424 3.171 20 5 GGBDMN Cc1nnc([C@@H]2CCCN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)C2)[nH]1 ZINC000270268734 1434718092 /nfs/dbraw/zinc/71/80/92/1434718092.db2.gz VVHGJGNLMIRALX-OAHLLOKOSA-N 0 1 379.424 3.171 20 5 GGBDMN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(CN(C)C)ccn1 ZINC000270766452 1434772559 /nfs/dbraw/zinc/77/25/59/1434772559.db2.gz ZZAOUTSAXNDZLI-UHFFFAOYSA-N 0 1 390.465 3.042 20 5 GGBDMN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000270819522 1434778139 /nfs/dbraw/zinc/77/81/39/1434778139.db2.gz DLYDZZRQZSXGRQ-LLVKDONJSA-N 0 1 375.816 3.264 20 5 GGBDMN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000270826510 1434778969 /nfs/dbraw/zinc/77/89/69/1434778969.db2.gz FRBSXYXYYYQFAP-CYBMUJFWSA-N 0 1 380.408 3.091 20 5 GGBDMN CCOc1ccc([C@H](C)NCc2cccc(OCC(=O)OC)c2)cc1[N+](=O)[O-] ZINC000271418444 1434823246 /nfs/dbraw/zinc/82/32/46/1434823246.db2.gz BECNNIRTACOGRL-AWEZNQCLSA-N 0 1 388.420 3.396 20 5 GGBDMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c1 ZINC000271668755 1434843047 /nfs/dbraw/zinc/84/30/47/1434843047.db2.gz OEDAIJXPERXULD-UHFFFAOYSA-N 0 1 392.433 3.272 20 5 GGBDMN COc1cccc(C2(NCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000271698432 1434844878 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CS[C@@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@H]1N(C)C ZINC000275910277 1435179192 /nfs/dbraw/zinc/17/91/92/1435179192.db2.gz DJNQHIHMZONKTR-RTBURBONSA-N 0 1 381.501 3.211 20 5 GGBDMN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000276361974 1435207006 /nfs/dbraw/zinc/20/70/06/1435207006.db2.gz MSFMAQDGCJTQLF-AWEZNQCLSA-N 0 1 398.467 3.363 20 5 GGBDMN CCCCN(C)C(=O)C1CCN(Cc2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000276824084 1435235469 /nfs/dbraw/zinc/23/54/69/1435235469.db2.gz ABFGHGIYSJBCBE-UHFFFAOYSA-N 0 1 377.485 3.464 20 5 GGBDMN CCOc1cc(CN[C@H](C)c2ccc(OCC(=O)OC)cc2)ccc1[N+](=O)[O-] ZINC000276903942 1435241604 /nfs/dbraw/zinc/24/16/04/1435241604.db2.gz MAPFXXIGNKMDOE-CQSZACIVSA-N 0 1 388.420 3.396 20 5 GGBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)n[nH]1 ZINC000276941723 1435245389 /nfs/dbraw/zinc/24/53/89/1435245389.db2.gz UUQFXZHQDRPQFK-UWVGGRQHSA-N 0 1 380.836 3.440 20 5 GGBDMN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2n[nH]c([C@H](C)CC)n2)cc1OC ZINC000277147689 1435268726 /nfs/dbraw/zinc/26/87/26/1435268726.db2.gz VZWQLVSJVGQGLR-GHMZBOCLSA-N 0 1 391.428 3.125 20 5 GGBDMN Cc1noc(C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c2ccccc2)n1 ZINC000277215886 1435279541 /nfs/dbraw/zinc/27/95/41/1435279541.db2.gz NOXHHLKTXSCWBK-GOSISDBHSA-N 0 1 395.419 3.107 20 5 GGBDMN CCc1[nH]nc(C(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)c1[N+](=O)[O-] ZINC000277894411 1435340099 /nfs/dbraw/zinc/34/00/99/1435340099.db2.gz FNZPWQBDNZEIPF-GFCCVEGCSA-N 0 1 398.448 3.452 20 5 GGBDMN O=C(c1cccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1)N1CCOCC1 ZINC000278175684 1435366512 /nfs/dbraw/zinc/36/65/12/1435366512.db2.gz CWXMSPCRHWTQJN-OAQYLSRUSA-N 0 1 395.459 3.234 20 5 GGBDMN Cn1cc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000278342374 1435381778 /nfs/dbraw/zinc/38/17/78/1435381778.db2.gz HTTLVPRSEUDECH-DYVFJYSZSA-N 0 1 398.385 3.131 20 5 GGBDMN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1F ZINC000278664950 1435411744 /nfs/dbraw/zinc/41/17/44/1435411744.db2.gz XHZGOAOIOVYDKF-UHFFFAOYSA-N 0 1 386.427 3.355 20 5 GGBDMN O=C1[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCN1Cc1ccccn1 ZINC000278863133 1435432528 /nfs/dbraw/zinc/43/25/28/1435432528.db2.gz WLPBXHLBNVSPDV-PMACEKPBSA-N 0 1 380.448 3.148 20 5 GGBDMN CNS(=O)(=O)c1cccc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000279083239 1435458545 /nfs/dbraw/zinc/45/85/45/1435458545.db2.gz MWCOREVYSVSRDB-GOSISDBHSA-N 0 1 389.477 3.015 20 5 GGBDMN COc1cc(CN2CCC[C@](C)(O)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000279578831 1435515287 /nfs/dbraw/zinc/51/52/87/1435515287.db2.gz BGOVXJXMFDWLPS-INIZCTEOSA-N 0 1 392.374 3.281 20 5 GGBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000281068294 1435767122 /nfs/dbraw/zinc/76/71/22/1435767122.db2.gz ZLMBVUWPCHRLNL-OAHLLOKOSA-N 0 1 375.425 3.399 20 5 GGBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])n[nH]1 ZINC000281542936 1435812908 /nfs/dbraw/zinc/81/29/08/1435812908.db2.gz KLUHTOIEQYBLPV-OLZOCXBDSA-N 0 1 375.429 3.181 20 5 GGBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])n[nH]1 ZINC000281542932 1435812931 /nfs/dbraw/zinc/81/29/31/1435812931.db2.gz KLUHTOIEQYBLPV-CHWSQXEVSA-N 0 1 375.429 3.181 20 5 GGBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000282107964 1435834939 /nfs/dbraw/zinc/83/49/39/1435834939.db2.gz ZTSCBEOASVHJAJ-UHFFFAOYSA-N 0 1 399.451 3.175 20 5 GGBDMN CN(C)[C@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000282412472 1435846294 /nfs/dbraw/zinc/84/62/94/1435846294.db2.gz LEUFQZIQIYDZQY-QGZVFWFLSA-N 0 1 376.482 3.143 20 5 GGBDMN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000283026661 1435871081 /nfs/dbraw/zinc/87/10/81/1435871081.db2.gz PXCKOSIIMZVNLC-KRWDZBQOSA-N 0 1 384.436 3.390 20 5 GGBDMN CC(=O)c1cc(N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000283734021 1435912611 /nfs/dbraw/zinc/91/26/11/1435912611.db2.gz IDWXKYFNVZPTON-GJZGRUSLSA-N 0 1 375.469 3.123 20 5 GGBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000284463237 1436023458 /nfs/dbraw/zinc/02/34/58/1436023458.db2.gz SAEHPXYBNIFBQG-ZDUSSCGKSA-N 0 1 385.424 3.009 20 5 GGBDMN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000823630063 1441938946 /nfs/dbraw/zinc/93/89/46/1441938946.db2.gz QLWDDCURTRDDAX-SFHVURJKSA-N 0 1 393.451 3.414 20 5 GGBDMN C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H]1c1cccs1 ZINC000821623550 1442323052 /nfs/dbraw/zinc/32/30/52/1442323052.db2.gz NCZVLAJGKNPUCU-YVEFUNNKSA-N 0 1 399.480 3.331 20 5 GGBDMN C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H]1c1cccs1 ZINC000821623550 1442323055 /nfs/dbraw/zinc/32/30/55/1442323055.db2.gz NCZVLAJGKNPUCU-YVEFUNNKSA-N 0 1 399.480 3.331 20 5 GGBDMN C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H]1c1cccs1 ZINC000821623550 1442323059 /nfs/dbraw/zinc/32/30/59/1442323059.db2.gz NCZVLAJGKNPUCU-YVEFUNNKSA-N 0 1 399.480 3.331 20 5 GGBDMN Cc1c(C[N@@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cccc1[N+](=O)[O-] ZINC000826236580 1443134962 /nfs/dbraw/zinc/13/49/62/1443134962.db2.gz SHWXVJXFDXRXOL-UHFFFAOYSA-N 0 1 376.420 3.373 20 5 GGBDMN COc1ccc(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1[N+](=O)[O-] ZINC000826193476 1443233751 /nfs/dbraw/zinc/23/37/51/1443233751.db2.gz FBHIXJVQAROACW-UHFFFAOYSA-N 0 1 392.419 3.073 20 5 GGBDMN COc1ccc(C[N@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1[N+](=O)[O-] ZINC000826193476 1443233756 /nfs/dbraw/zinc/23/37/56/1443233756.db2.gz FBHIXJVQAROACW-UHFFFAOYSA-N 0 1 392.419 3.073 20 5 GGBDMN COc1ccc(C[N@@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1[N+](=O)[O-] ZINC000826193476 1443233760 /nfs/dbraw/zinc/23/37/60/1443233760.db2.gz FBHIXJVQAROACW-UHFFFAOYSA-N 0 1 392.419 3.073 20 5 GGBDMN C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H]1c1ccc(Cl)cc1 ZINC000826029587 1443480995 /nfs/dbraw/zinc/48/09/95/1443480995.db2.gz UMILIOIGDGJIPR-IRXDYDNUSA-N 0 1 399.842 3.286 20 5 GGBDMN CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000825127613 1443522883 /nfs/dbraw/zinc/52/28/83/1443522883.db2.gz OGMRAQXIWVZNOX-OAHLLOKOSA-N 0 1 384.465 3.435 20 5 GGBDMN O=[N+]([O-])c1ccccc1C=CC[NH2+]CCSCc1ccccc1-c1nnn[n-]1 ZINC000738369796 1443701789 /nfs/dbraw/zinc/70/17/89/1443701789.db2.gz OVWWMUZZIWQAIS-YVMONPNESA-N 0 1 396.476 3.311 20 5 GGBDMN C[N@H+]1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000821623496 1443748252 /nfs/dbraw/zinc/74/82/52/1443748252.db2.gz MBRYVEQOBQKTGK-SUMWQHHRSA-N 0 1 399.480 3.331 20 5 GGBDMN CC1CC[NH+](C2CCC(Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)CC1 ZINC000824956038 1443986315 /nfs/dbraw/zinc/98/63/15/1443986315.db2.gz PTJYNRLZGMSEQM-UHFFFAOYSA-N 0 1 385.472 3.230 20 5 GGBDMN CC[C@@H]([NH2+]CCCOc1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000825142896 1446310357 /nfs/dbraw/zinc/31/03/57/1446310357.db2.gz 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C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC001589439015 986768999 /nfs/dbraw/zinc/76/89/99/986768999.db2.gz RQRLAXBCBMYJLN-NEPJUHHUSA-N 0 1 383.832 3.152 20 5 GGBDMN CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1(C)C ZINC001590146820 989421908 /nfs/dbraw/zinc/42/19/08/989421908.db2.gz GLROVGORYXPVSI-OAHLLOKOSA-N 0 1 393.440 3.028 20 5 GGBDMN CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1(C)C ZINC001590146820 989421914 /nfs/dbraw/zinc/42/19/14/989421914.db2.gz GLROVGORYXPVSI-OAHLLOKOSA-N 0 1 393.440 3.028 20 5 GGBDMN CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1(C)C ZINC001590146819 989422098 /nfs/dbraw/zinc/42/20/98/989422098.db2.gz GLROVGORYXPVSI-HNNXBMFYSA-N 0 1 393.440 3.028 20 5 GGBDMN CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1(C)C ZINC001590146819 989422104 /nfs/dbraw/zinc/42/21/04/989422104.db2.gz GLROVGORYXPVSI-HNNXBMFYSA-N 0 1 393.440 3.028 20 5 GGBDMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC001590339090 989775637 /nfs/dbraw/zinc/77/56/37/989775637.db2.gz BZSBJZSCMFXGLL-JKSUJKDBSA-N 0 1 390.436 3.093 20 5 GGBDMN CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001598066352 990350101 /nfs/dbraw/zinc/35/01/01/990350101.db2.gz ISXYXNZQZFJFPZ-OAHLLOKOSA-N 0 1 393.440 3.124 20 5 GGBDMN CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001598066352 990350107 /nfs/dbraw/zinc/35/01/07/990350107.db2.gz ISXYXNZQZFJFPZ-OAHLLOKOSA-N 0 1 393.440 3.124 20 5 GGBDMN C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H](COC1CCC1)C(=O)[O-] ZINC001598508357 992534165 /nfs/dbraw/zinc/53/41/65/992534165.db2.gz DAWMRTLNMVTSAK-CQSZACIVSA-N 0 1 376.331 3.068 20 5 GGBDMN C[N@H+]1CCC[C@H](CNc2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001598591871 993445824 /nfs/dbraw/zinc/44/58/24/993445824.db2.gz DYQPDIKCPBKQTB-CQSZACIVSA-N 0 1 397.431 3.278 20 5 GGBDMN C[C@@]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593298549 994715471 /nfs/dbraw/zinc/71/54/71/994715471.db2.gz LHGDIUYGFMIVDH-INIZCTEOSA-N 0 1 379.756 3.246 20 5 GGBDMN COc1ccc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)[O-])cc1Cl ZINC001599531388 997660598 /nfs/dbraw/zinc/66/05/98/997660598.db2.gz LEIMMEPGGGSDMH-OAHLLOKOSA-N 0 1 395.755 3.081 20 5 GGBDMN COc1ccc(C[N@H+]2CC[C@@H]2CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001599561048 998195538 /nfs/dbraw/zinc/19/55/38/998195538.db2.gz CCTIWQWTKHXNRV-HFTQHKIXSA-N 0 1 397.431 3.388 20 5 GGBDMN COc1ccc(-c2ccc(C[N@H+]3CCSC[C@@H]3CC(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC001599468281 998402730 /nfs/dbraw/zinc/40/27/30/998402730.db2.gz JZEONGVTMGZTSW-LBPRGKRZSA-N 0 1 392.433 3.256 20 5 GGBDMN COC(=O)c1ccc(Cl)c(C[NH2+][C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC001598976408 998604177 /nfs/dbraw/zinc/60/41/77/998604177.db2.gz VQMNYMNADRGAPB-SFHVURJKSA-N 0 1 392.795 3.124 20 5 GGBDMN COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](Cc2ccccc2)C[C@H](C)C(=O)[O-])c1 ZINC001598988044 998712148 /nfs/dbraw/zinc/71/21/48/998712148.db2.gz NOGCTRHHHBYFAE-AWEZNQCLSA-N 0 1 386.404 3.104 20 5 GGBDMN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001594329262 999264682 /nfs/dbraw/zinc/26/46/82/999264682.db2.gz VKUNVWCLDDKJSL-AZFSHXRASA-N 0 1 376.453 3.445 20 5 GGBDMN COc1ccc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000609707708 1126100514 /nfs/dbraw/zinc/10/05/14/1126100514.db2.gz UPTXYXSILSLWRO-WMLDXEAASA-N 0 1 384.354 3.228 20 5 GGBDMN COc1ccc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000609707707 1126100639 /nfs/dbraw/zinc/10/06/39/1126100639.db2.gz UPTXYXSILSLWRO-RHSMWYFYSA-N 0 1 384.354 3.228 20 5 GGBDMN CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000006919569 209128122 /nfs/dbraw/zinc/12/81/22/209128122.db2.gz IHVXLOZCJDZVFW-UHFFFAOYSA-N 0 1 391.449 3.186 20 5 GGBDMN O=[N+]([O-])c1ccc(N2CCN(CCCc3nc(-c4cccs4)no3)CC2)cc1 ZINC000023707199 207281922 /nfs/dbraw/zinc/28/19/22/207281922.db2.gz DABKRDVDJXROHO-UHFFFAOYSA-N 0 1 399.476 3.461 20 5 GGBDMN CS[C@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000089314160 208105359 /nfs/dbraw/zinc/10/53/59/208105359.db2.gz QIRNWTDYQGLUQH-OALUTQOASA-N 0 1 385.489 3.308 20 5 GGBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000116449255 564210288 /nfs/dbraw/zinc/21/02/88/564210288.db2.gz UHXMUDIPMKYNKP-GFCCVEGCSA-N 0 1 379.214 3.366 20 5 GGBDMN COC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1 ZINC000007417583 564237292 /nfs/dbraw/zinc/23/72/92/564237292.db2.gz GGYAUGFPVXFEGF-UHFFFAOYSA-N 0 1 384.797 3.144 20 5 GGBDMN O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000118435403 564240818 /nfs/dbraw/zinc/24/08/18/564240818.db2.gz ORUAQZNCKRJLLT-ZDUSSCGKSA-N 0 1 378.303 3.316 20 5 GGBDMN CCOCc1ccccc1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119543995 564276450 /nfs/dbraw/zinc/27/64/50/564276450.db2.gz CZPBBVKITRGLHU-UHFFFAOYSA-N 0 1 384.841 3.263 20 5 GGBDMN COc1cc(OC)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1Cl ZINC000016095776 564290775 /nfs/dbraw/zinc/29/07/75/564290775.db2.gz IPNPVPYLKUYWOQ-UHFFFAOYSA-N 0 1 386.813 3.375 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)cc2)c(Cl)c1 ZINC000121285914 564363115 /nfs/dbraw/zinc/36/31/15/564363115.db2.gz QMRSPJKUZFJRNU-UHFFFAOYSA-N 0 1 378.797 3.235 20 5 GGBDMN Cc1c(Cl)cc(S(=O)(=O)NC[C@H](C)N2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000032441040 564400784 /nfs/dbraw/zinc/40/07/84/564400784.db2.gz DMKKEKOEBGSPSG-NEPJUHHUSA-N 0 1 389.905 3.098 20 5 GGBDMN COC(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)ccc1Cl ZINC000032590809 564402003 /nfs/dbraw/zinc/40/20/03/564402003.db2.gz DTZAJKBCSNWXMG-UHFFFAOYSA-N 0 1 384.797 3.144 20 5 GGBDMN COc1ccc(S(=O)(=O)Nc2sc(C)nc2CC(C)C)cc1[N+](=O)[O-] ZINC000122522726 564417391 /nfs/dbraw/zinc/41/73/91/564417391.db2.gz LYIQHBJSPLTUIM-UHFFFAOYSA-N 0 1 385.467 3.368 20 5 GGBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(F)cc2Br)cc1 ZINC000037576009 564421536 /nfs/dbraw/zinc/42/15/36/564421536.db2.gz MYKWEQGFSFQREZ-UHFFFAOYSA-N 0 1 375.175 3.297 20 5 GGBDMN COc1ccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1Cl ZINC000123495060 564450614 /nfs/dbraw/zinc/45/06/14/564450614.db2.gz AWLWKRPXPHEDFU-UHFFFAOYSA-N 0 1 391.232 3.389 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000123757570 564460720 /nfs/dbraw/zinc/46/07/20/564460720.db2.gz LZOLZIYHMXPEPP-LBPRGKRZSA-N 0 1 386.788 3.189 20 5 GGBDMN O=C(NCc1cccc(Br)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000045351560 564482339 /nfs/dbraw/zinc/48/23/39/564482339.db2.gz JQCRCOIIIGIWOO-UHFFFAOYSA-N 0 1 375.182 3.164 20 5 GGBDMN CC(C)(NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000047258122 564515871 /nfs/dbraw/zinc/51/58/71/564515871.db2.gz OIFQOPWWNRORRE-UHFFFAOYSA-N 0 1 392.253 3.481 20 5 GGBDMN Cc1c(Br)cc(C(=O)Nc2nc(-c3ccco3)n[nH]2)cc1[N+](=O)[O-] ZINC000127323113 564580189 /nfs/dbraw/zinc/58/01/89/564580189.db2.gz RHPMDZGLCWXBDL-UHFFFAOYSA-N 0 1 392.169 3.296 20 5 GGBDMN O=C(NCc1cc(Br)cs1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000053968906 564596800 /nfs/dbraw/zinc/59/68/00/564596800.db2.gz RACJROJKVANKDN-UHFFFAOYSA-N 0 1 381.211 3.225 20 5 GGBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000055637974 564627695 /nfs/dbraw/zinc/62/76/95/564627695.db2.gz QGBKSJOQHXIDCQ-UHFFFAOYSA-N 0 1 376.312 3.445 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)c2-n2cccn2)cc1 ZINC000055634050 564627794 /nfs/dbraw/zinc/62/77/94/564627794.db2.gz LTKBAFJQEINRQU-UHFFFAOYSA-N 0 1 378.797 3.235 20 5 GGBDMN Cc1ccc(S(=O)(=O)Nc2ncc(C)cc2Br)c([N+](=O)[O-])c1 ZINC000129485314 564650107 /nfs/dbraw/zinc/65/01/07/564650107.db2.gz OODBKMBYFNETPN-UHFFFAOYSA-N 0 1 386.227 3.170 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1cc(F)ccc1Br ZINC000130507529 564684033 /nfs/dbraw/zinc/68/40/33/564684033.db2.gz YXKHLPSMXUXWIX-UHFFFAOYSA-N 0 1 393.165 3.436 20 5 GGBDMN CC(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000058495180 564684796 /nfs/dbraw/zinc/68/47/96/564684796.db2.gz FPIFLIGHLYXQEG-UHFFFAOYSA-N 0 1 383.813 3.316 20 5 GGBDMN O=[N+]([O-])c1ccn(CCN2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1 ZINC000134456410 564803361 /nfs/dbraw/zinc/80/33/61/564803361.db2.gz GKCOMAOBTPJPAQ-JTQLQIEISA-N 0 1 375.376 3.146 20 5 GGBDMN CCCc1[nH]nc(C(=O)N(C)Cc2ccc(Br)s2)c1[N+](=O)[O-] ZINC000068477084 564820475 /nfs/dbraw/zinc/82/04/75/564820475.db2.gz RSNLCKDXRZVESW-UHFFFAOYSA-N 0 1 387.259 3.367 20 5 GGBDMN Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2O)cc1[N+](=O)[O-] ZINC000072301042 564862281 /nfs/dbraw/zinc/86/22/81/564862281.db2.gz XJJGCLIYFKFOHW-UHFFFAOYSA-N 0 1 376.312 3.428 20 5 GGBDMN C[C@H](CN1CCN(C)CC1)Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000078604259 564864037 /nfs/dbraw/zinc/86/40/37/564864037.db2.gz LGJPHZCENHPACB-SNVBAGLBSA-N 0 1 380.798 3.315 20 5 GGBDMN COCCN(CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000093005894 564883407 /nfs/dbraw/zinc/88/34/07/564883407.db2.gz VNQHEXPCYNYTRT-UHFFFAOYSA-N 0 1 399.241 3.058 20 5 GGBDMN CC(C)c1csc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000154086442 565025385 /nfs/dbraw/zinc/02/53/85/565025385.db2.gz IQVOAQNHIMJTNL-UHFFFAOYSA-N 0 1 375.859 3.307 20 5 GGBDMN CCCc1[nH]nc(C(=O)N2CCc3c(Br)cccc3C2)c1[N+](=O)[O-] ZINC000109621326 565028679 /nfs/dbraw/zinc/02/86/79/565028679.db2.gz QOFLKLSUFRGLFY-UHFFFAOYSA-N 0 1 393.241 3.231 20 5 GGBDMN O=C(NCC1(N2CCSCC2)CCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110214854 565037889 /nfs/dbraw/zinc/03/78/89/565037889.db2.gz ODYWOVLMEZAOQK-UHFFFAOYSA-N 0 1 383.901 3.340 20 5 GGBDMN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(Br)ccc1F ZINC000110590451 565042748 /nfs/dbraw/zinc/04/27/48/565042748.db2.gz GZBNDJNSRDPVJF-UHFFFAOYSA-N 0 1 375.175 3.297 20 5 GGBDMN CCc1nc([C@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cs1 ZINC000111363221 565053547 /nfs/dbraw/zinc/05/35/47/565053547.db2.gz FKGOMRRECPCDSB-QMMMGPOBSA-N 0 1 375.859 3.307 20 5 GGBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCCC[NH+]1CCCCC1 ZINC000111357491 565053560 /nfs/dbraw/zinc/05/35/60/565053560.db2.gz YOYJXULRKMNHAF-UHFFFAOYSA-N 0 1 389.905 3.183 20 5 GGBDMN CCCc1[nH]nc(C(=O)Nc2nc(-c3ccc(C)s3)ns2)c1[N+](=O)[O-] ZINC000114538859 565074957 /nfs/dbraw/zinc/07/49/57/565074957.db2.gz BIIGREQYHRWAQF-UHFFFAOYSA-N 0 1 378.439 3.411 20 5 GGBDMN CC1(C)C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000156386568 565084406 /nfs/dbraw/zinc/08/44/06/565084406.db2.gz KDPMCSYAMZSGPS-SECBINFHSA-N 0 1 383.253 3.138 20 5 GGBDMN CCOCCC1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000156874334 565109331 /nfs/dbraw/zinc/10/93/31/565109331.db2.gz PMSRERQCMKYWNU-UHFFFAOYSA-N 0 1 397.280 3.387 20 5 GGBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cncc(Br)c1 ZINC000158225244 565161903 /nfs/dbraw/zinc/16/19/03/565161903.db2.gz LGWZZXFZFIPWAJ-UHFFFAOYSA-N 0 1 386.227 3.170 20 5 GGBDMN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CCCc2cn[nH]c21 ZINC000269968760 565204287 /nfs/dbraw/zinc/20/42/87/565204287.db2.gz KXPZSGWRUHEMLK-LLVKDONJSA-N 0 1 380.202 3.280 20 5 GGBDMN CC(C)c1nc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Br)n[nH]1 ZINC000270614438 565224083 /nfs/dbraw/zinc/22/40/83/565224083.db2.gz FWKMAXZRTZHMAY-MRVPVSSYSA-N 0 1 382.218 3.090 20 5 GGBDMN COc1ccc(CN[C@H](CO)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000270960956 565233694 /nfs/dbraw/zinc/23/36/94/565233694.db2.gz AQGWJGIAOQOZPP-CQSZACIVSA-N 0 1 381.226 3.189 20 5 GGBDMN O=C(N[C@H](c1ccc(Br)cc1)C1CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000161049836 565271729 /nfs/dbraw/zinc/27/17/29/565271729.db2.gz XEEHMOOUMISMHW-ZDUSSCGKSA-N 0 1 379.214 3.352 20 5 GGBDMN O=C(Nc1cc(Cl)cc(Br)c1O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187166622 565313460 /nfs/dbraw/zinc/31/34/60/565313460.db2.gz LCOGIWOMEGGJAN-UHFFFAOYSA-N 0 1 388.561 3.069 20 5 GGBDMN CCc1nc(C)c([C@@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000273495105 565322527 /nfs/dbraw/zinc/32/25/27/565322527.db2.gz XQEGQJNZXSZJAN-LLVKDONJSA-N 0 1 383.495 3.047 20 5 GGBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000162680463 565324892 /nfs/dbraw/zinc/32/48/92/565324892.db2.gz AVKRFMGQYUSMLI-GXFFZTMASA-N 0 1 395.264 3.138 20 5 GGBDMN COc1c(F)cc(S(=O)(=O)Nc2ccc3scnc3c2)cc1[N+](=O)[O-] ZINC000187374123 565327784 /nfs/dbraw/zinc/32/77/84/565327784.db2.gz ZJZBQETWFRTLLB-UHFFFAOYSA-N 0 1 383.382 3.153 20 5 GGBDMN Cc1[nH]nc(C(=O)N2CCC(c3ccccc3Br)CC2)c1[N+](=O)[O-] ZINC000275898748 565430323 /nfs/dbraw/zinc/43/03/23/565430323.db2.gz JWJVRJWVRJEHNK-UHFFFAOYSA-N 0 1 393.241 3.409 20 5 GGBDMN CCc1[nH]nc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)c1[N+](=O)[O-] ZINC000171809291 565451654 /nfs/dbraw/zinc/45/16/54/565451654.db2.gz QYCJVXPAJNFKCV-UHFFFAOYSA-N 0 1 378.801 3.305 20 5 GGBDMN Cc1[nH]ncc1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000377004857 565462927 /nfs/dbraw/zinc/46/29/27/565462927.db2.gz ACQGCQMSROSIKO-UHFFFAOYSA-N 0 1 393.241 3.409 20 5 GGBDMN CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000172183939 565470473 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CCCc1[nH]nc(C(=O)N(C)CCc2cccc(Br)c2)c1[N+](=O)[O-] ZINC000462861362 566360709 /nfs/dbraw/zinc/36/07/09/566360709.db2.gz IUXYVFVKZUMXTR-UHFFFAOYSA-N 0 1 395.257 3.348 20 5 GGBDMN O=[N+]([O-])c1cc(I)cc(CNc2ccc3nn[nH]c3c2)c1 ZINC000576791993 566378188 /nfs/dbraw/zinc/37/81/88/566378188.db2.gz HJYICNGGRIHNMS-UHFFFAOYSA-N 0 1 395.160 3.083 20 5 GGBDMN O=[N+]([O-])c1cc(I)cc(CNc2ccc3n[nH]nc3c2)c1 ZINC000576791993 566378198 /nfs/dbraw/zinc/37/81/98/566378198.db2.gz HJYICNGGRIHNMS-UHFFFAOYSA-N 0 1 395.160 3.083 20 5 GGBDMN CC1(C)Cc2c(cccc2Br)[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000557828336 566424767 /nfs/dbraw/zinc/42/47/67/566424767.db2.gz YXNWWDRYBLFLQL-CYBMUJFWSA-N 0 1 379.214 3.134 20 5 GGBDMN Cc1n[nH]c([C@@H]2CCCN(Cc3cc(Br)c([N+](=O)[O-])s3)C2)n1 ZINC000602487096 566473647 /nfs/dbraw/zinc/47/36/47/566473647.db2.gz TVMGXARGTQCCRG-SECBINFHSA-N 0 1 386.275 3.225 20 5 GGBDMN Cc1nnc([C@@H]2CCCN(Cc3cc(Br)c([N+](=O)[O-])s3)C2)[nH]1 ZINC000602487096 566473654 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O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2csc3ccccc23)cc1 ZINC000543621586 566894170 /nfs/dbraw/zinc/89/41/70/566894170.db2.gz WNQGCXCFKPIMEE-UHFFFAOYSA-N 0 1 376.459 3.373 20 5 GGBDMN C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000611469288 566918336 /nfs/dbraw/zinc/91/83/36/566918336.db2.gz CZTCJHCOHALICR-QPUJVOFHSA-N 0 1 383.253 3.138 20 5 GGBDMN COc1ccc(S(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c(C)c1 ZINC000430076159 566979797 /nfs/dbraw/zinc/97/97/97/566979797.db2.gz LMRFPNMQYNEXAR-UHFFFAOYSA-N 0 1 379.419 3.322 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](Cc2ccccc2)C(F)(F)F)s1 ZINC000520664937 567016609 /nfs/dbraw/zinc/01/66/09/567016609.db2.gz DOYXCSZJFRBZIS-NSHDSACASA-N 0 1 394.396 3.356 20 5 GGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCc2ccc(Br)cc2C1 ZINC000565113273 567041004 /nfs/dbraw/zinc/04/10/04/567041004.db2.gz JXEWYUQNTSCSPY-UHFFFAOYSA-N 0 1 377.194 3.261 20 5 GGBDMN Cc1ccc(CSCCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000521153497 567045674 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ZINC000029585349 1400318421 /nfs/dbraw/zinc/31/84/21/1400318421.db2.gz AYPJFIBXZZVVNC-UHFFFAOYSA-N 0 1 377.448 3.377 20 5 GGBDMN NC(=O)c1ccc(CN2CCC[C@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])c1 ZINC000029827803 1400358857 /nfs/dbraw/zinc/35/88/57/1400358857.db2.gz CMVQYBMKUXPSDM-HNNXBMFYSA-N 0 1 380.404 3.215 20 5 GGBDMN CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000055986036 1407159216 /nfs/dbraw/zinc/15/92/16/1407159216.db2.gz DHSSNZXEOXHABM-UHFFFAOYSA-N 0 1 397.884 3.001 20 5 GGBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000056196081 1407248040 /nfs/dbraw/zinc/24/80/40/1407248040.db2.gz WUTKOLALIBIZBK-CVEARBPZSA-N 0 1 398.463 3.109 20 5 GGBDMN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000043004413 1403689129 /nfs/dbraw/zinc/68/91/29/1403689129.db2.gz BVQZMWBGKLSZHB-QGZVFWFLSA-N 0 1 388.493 3.289 20 5 GGBDMN COc1ccccc1[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)N1CCCC1 ZINC000044867691 1404014550 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AOGLFWQKVKSHEO-UHFFFAOYSA-N 0 1 395.419 3.270 20 5 GGBDMN CC(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000046346586 1404377527 /nfs/dbraw/zinc/37/75/27/1404377527.db2.gz ABXRLOCSRWCBJH-UHFFFAOYSA-N 0 1 397.840 3.187 20 5 GGBDMN CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000046464945 1404429027 /nfs/dbraw/zinc/42/90/27/1404429027.db2.gz HWFCLWMJRKXHKY-CYBMUJFWSA-N 0 1 391.449 3.232 20 5 GGBDMN Cc1cc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000046623122 1404516001 /nfs/dbraw/zinc/51/60/01/1404516001.db2.gz XSLGELSLQRMJCX-IAGOWNOFSA-N 0 1 397.475 3.442 20 5 GGBDMN Cc1cc(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000046623124 1404516389 /nfs/dbraw/zinc/51/63/89/1404516389.db2.gz XSLGELSLQRMJCX-IRXDYDNUSA-N 0 1 397.475 3.442 20 5 GGBDMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 ZINC000046624198 1404517591 /nfs/dbraw/zinc/51/75/91/1404517591.db2.gz CYCXDITXUQVFSZ-HZPDHXFCSA-N 0 1 383.448 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COc1cccc([C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)N(C)C)c1 ZINC000048298861 1405132892 /nfs/dbraw/zinc/13/28/92/1405132892.db2.gz HADJUMBFCKPQKP-SFHVURJKSA-N 0 1 382.420 3.117 20 5 GGBDMN COc1cccc([C@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])N(C)C)c1 ZINC000049798688 1405419948 /nfs/dbraw/zinc/41/99/48/1405419948.db2.gz QNNMHBCNLDUWQT-IBGZPJMESA-N 0 1 386.452 3.048 20 5 GGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000050661358 1405620461 /nfs/dbraw/zinc/62/04/61/1405620461.db2.gz TZCREHRUKFHLQC-INIZCTEOSA-N 0 1 398.394 3.432 20 5 GGBDMN C[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCc2ccccc2C1 ZINC000056849071 1407454922 /nfs/dbraw/zinc/45/49/22/1407454922.db2.gz QUQAFZZEUAWSCJ-CQSZACIVSA-N 0 1 378.432 3.253 20 5 GGBDMN C[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCc2ccccc2C1 ZINC000056849124 1407455032 /nfs/dbraw/zinc/45/50/32/1407455032.db2.gz HSBSSLCBLRCUFV-CQSZACIVSA-N 0 1 378.432 3.253 20 5 GGBDMN 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ZINC000057554146 1407648442 /nfs/dbraw/zinc/64/84/42/1407648442.db2.gz OOFAGCMDHMUDNQ-AWEZNQCLSA-N 0 1 397.431 3.362 20 5 GGBDMN Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000057704707 1407693241 /nfs/dbraw/zinc/69/32/41/1407693241.db2.gz HDXPJILFJPDZAL-LJQANCHMSA-N 0 1 389.477 3.019 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccnc(Sc3ccccn3)c2)cc1 ZINC000057785736 1407716633 /nfs/dbraw/zinc/71/66/33/1407716633.db2.gz HHFOTWXMMRBJDE-UHFFFAOYSA-N 0 1 388.430 3.337 20 5 GGBDMN CC(=O)Nc1ccc(F)c(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000060442435 1407978298 /nfs/dbraw/zinc/97/82/98/1407978298.db2.gz PSXWNBOTYIFFGE-UHFFFAOYSA-N 0 1 381.385 3.110 20 5 GGBDMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cc2)C1 ZINC000060643382 1408017266 /nfs/dbraw/zinc/01/72/66/1408017266.db2.gz DAWVDYIRXUAROJ-OAHLLOKOSA-N 0 1 383.448 3.462 20 5 GGBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(CN3CCSCC3)c2)c1 ZINC000061285696 1408101594 /nfs/dbraw/zinc/10/15/94/1408101594.db2.gz XWINJAVMJIZQKJ-UHFFFAOYSA-N 0 1 387.461 3.405 20 5 GGBDMN COCCCN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000061308696 1408104501 /nfs/dbraw/zinc/10/45/01/1408104501.db2.gz WLCJFKRIZRXLEA-UHFFFAOYSA-N 0 1 375.494 3.477 20 5 GGBDMN CN(C)[C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000061495441 1408137051 /nfs/dbraw/zinc/13/70/51/1408137051.db2.gz DXTBPCWDIKJEJQ-INIZCTEOSA-N 0 1 376.482 3.268 20 5 GGBDMN CCNC(=O)[C@H](C)NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000061556571 1408146710 /nfs/dbraw/zinc/14/67/10/1408146710.db2.gz MKCBBILXBRZNKP-HNNXBMFYSA-N 0 1 393.447 3.062 20 5 GGBDMN Cc1ccc(-c2n[nH]c(SC[C@@H](O)COc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000061727148 1408164902 /nfs/dbraw/zinc/16/49/02/1408164902.db2.gz SFGIOTMACXQRLA-HNNXBMFYSA-N 0 1 386.433 3.220 20 5 GGBDMN Cc1ccc(CNCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000063526167 1408367267 /nfs/dbraw/zinc/36/72/67/1408367267.db2.gz SIMIKYSVZZBQLA-UHFFFAOYSA-N 0 1 391.493 3.222 20 5 GGBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H](c2ccsc2)N(C)C)c1 ZINC000063684639 1408391591 /nfs/dbraw/zinc/39/15/91/1408391591.db2.gz VRRGUESFHIBIDX-INIZCTEOSA-N 0 1 377.466 3.153 20 5 GGBDMN COc1ccccc1-c1n[nH]c(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)n1 ZINC000064490178 1408567783 /nfs/dbraw/zinc/56/77/83/1408567783.db2.gz SQOWFFATUYHGLM-UHFFFAOYSA-N 0 1 378.348 3.122 20 5 GGBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000064956427 1408631536 /nfs/dbraw/zinc/63/15/36/1408631536.db2.gz BJZFKMYTHSQWQM-NVXWUHKLSA-N 0 1 389.477 3.017 20 5 GGBDMN COCCCCN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000065165186 1408650410 /nfs/dbraw/zinc/65/04/10/1408650410.db2.gz VXGMIIRTMCYTFM-UHFFFAOYSA-N 0 1 397.475 3.413 20 5 GGBDMN O=C(Nc1nc(-c2ccco2)n[nH]1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000065308700 1408660409 /nfs/dbraw/zinc/66/04/09/1408660409.db2.gz BTMPVNHRDRBHDG-UHFFFAOYSA-N 0 1 382.361 3.349 20 5 GGBDMN O=C(Nc1ccccc1)NC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065536328 1408685253 /nfs/dbraw/zinc/68/52/53/1408685253.db2.gz WZOSSRYUYKUOQZ-UHFFFAOYSA-N 0 1 384.436 3.260 20 5 GGBDMN CN(C)[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1cccc(F)c1 ZINC000065841374 1408740298 /nfs/dbraw/zinc/74/02/98/1408740298.db2.gz FZNNURLAGYLGFT-LJQANCHMSA-N 0 1 384.411 3.108 20 5 GGBDMN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1nc2ccc(F)cc2[nH]1 ZINC000176525531 1428350803 /nfs/dbraw/zinc/35/08/03/1428350803.db2.gz HVBYFEHAGZKENH-UHFFFAOYSA-N 0 1 392.774 3.349 20 5 GGBDMN COc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C)N2CCCC2)cc1 ZINC000067024063 1408984257 /nfs/dbraw/zinc/98/42/57/1408984257.db2.gz RJOOBOUQXKGLPP-FQEVSTJZSA-N 0 1 383.448 3.479 20 5 GGBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000067116723 1409012003 /nfs/dbraw/zinc/01/20/03/1409012003.db2.gz PTANCHSUFBDMKN-UHFFFAOYSA-N 0 1 393.446 3.002 20 5 GGBDMN CCN(CC)[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccco1 ZINC000067275315 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QWZOPQAOBDIOGN-UHFFFAOYSA-N 0 1 392.459 3.284 20 5 GGBDMN Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000068269535 1409346836 /nfs/dbraw/zinc/34/68/36/1409346836.db2.gz FTMWDMJOVGCUHR-QGZVFWFLSA-N 0 1 390.403 3.335 20 5 GGBDMN COc1ccccc1[C@@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N)N1CCCC1 ZINC000068510292 1409422048 /nfs/dbraw/zinc/42/20/48/1409422048.db2.gz OOLKRNBECJVFFC-GOSISDBHSA-N 0 1 398.463 3.061 20 5 GGBDMN COc1ccc([C@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)N2CCCC2)cc1 ZINC000068509752 1409422318 /nfs/dbraw/zinc/42/23/18/1409422318.db2.gz ZVODKNURJUUKTQ-IBGZPJMESA-N 0 1 398.463 3.061 20 5 GGBDMN CC(=O)c1ccc(N[C@@H](CN2CCN(C)CC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000068910700 1409522519 /nfs/dbraw/zinc/52/25/19/1409522519.db2.gz ZPDVRKXELYBDMU-FQEVSTJZSA-N 0 1 382.464 3.198 20 5 GGBDMN CC(=O)c1ccc(N[C@H](CN2CCN(C)CC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000068910703 1409522592 /nfs/dbraw/zinc/52/25/92/1409522592.db2.gz ZPDVRKXELYBDMU-HXUWFJFHSA-N 0 1 382.464 3.198 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000069612196 1409662349 /nfs/dbraw/zinc/66/23/49/1409662349.db2.gz DVTXPKFETIVOMU-FQEVSTJZSA-N 0 1 397.479 3.013 20 5 GGBDMN COc1cccc([C@@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])N(C)C)c1 ZINC000069617689 1409663931 /nfs/dbraw/zinc/66/39/31/1409663931.db2.gz FTZWTYBITOQFGN-QGZVFWFLSA-N 0 1 377.828 3.290 20 5 GGBDMN Cn1cc(CNCc2ccc([N+](=O)[O-])cc2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000069784203 1409698294 /nfs/dbraw/zinc/69/82/94/1409698294.db2.gz LPRBRPOPKXTEQK-UHFFFAOYSA-N 0 1 394.431 3.446 20 5 GGBDMN C[C@@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000069784452 1409698461 /nfs/dbraw/zinc/69/84/61/1409698461.db2.gz CKYKHVITIMRBOD-GFCCVEGCSA-N 0 1 397.884 3.349 20 5 GGBDMN C[C@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000069784451 1409698761 /nfs/dbraw/zinc/69/87/61/1409698761.db2.gz CKYKHVITIMRBOD-LBPRGKRZSA-N 0 1 397.884 3.349 20 5 GGBDMN O=C(Nc1ccn(-c2ccncc2)n1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000071027552 1409814413 /nfs/dbraw/zinc/81/44/13/1409814413.db2.gz OQXZEBWFNPSPGA-UHFFFAOYSA-N 0 1 392.419 3.418 20 5 GGBDMN O=C(Nc1ccn(-c2ccncc2)n1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000071040362 1409815055 /nfs/dbraw/zinc/81/50/55/1409815055.db2.gz WZIRIJUYEYXDBR-UHFFFAOYSA-N 0 1 378.392 3.028 20 5 GGBDMN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000091844193 1410085089 /nfs/dbraw/zinc/08/50/89/1410085089.db2.gz VILGHZQPVSAYRL-GFCCVEGCSA-N 0 1 390.827 3.200 20 5 GGBDMN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000091844193 1410085095 /nfs/dbraw/zinc/08/50/95/1410085095.db2.gz VILGHZQPVSAYRL-GFCCVEGCSA-N 0 1 390.827 3.200 20 5 GGBDMN CCCc1[nH]nc(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000092070844 1410104779 /nfs/dbraw/zinc/10/47/79/1410104779.db2.gz FAFXPCHPBHHNNE-UHFFFAOYSA-N 0 1 390.415 3.231 20 5 GGBDMN 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0 1 383.452 3.393 20 5 GGBDMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000178184458 1429011980 /nfs/dbraw/zinc/01/19/80/1429011980.db2.gz NQVDSOVYPATAQC-UHFFFAOYSA-N 0 1 386.477 3.287 20 5 GGBDMN O=C(CCN(Cc1ccco1)C[C@@H]1CCCO1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128357503 1415970033 /nfs/dbraw/zinc/97/00/33/1415970033.db2.gz ZGRVUQYAHQARMM-INIZCTEOSA-N 0 1 391.399 3.337 20 5 GGBDMN CCN(CC)[C@H](CNC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1ccccc1Cl ZINC000128551928 1416011331 /nfs/dbraw/zinc/01/13/31/1416011331.db2.gz HIOXOZYWCADQPI-OAHLLOKOSA-N 0 1 393.875 3.103 20 5 GGBDMN CCN(CC)[C@@H](CNC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1ccccc1Cl ZINC000128551661 1416011419 /nfs/dbraw/zinc/01/14/19/1416011419.db2.gz HIOXOZYWCADQPI-HNNXBMFYSA-N 0 1 393.875 3.103 20 5 GGBDMN COc1cc(C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)ccc1[N+](=O)[O-] ZINC000826179603 1429063710 /nfs/dbraw/zinc/06/37/10/1429063710.db2.gz VZEFFLRYBAUPPC-UHFFFAOYSA-N 0 1 396.451 3.442 20 5 GGBDMN 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ZINC000136852803 1417350825 /nfs/dbraw/zinc/35/08/25/1417350825.db2.gz PKNQXZRIALSEGA-GOSISDBHSA-N 0 1 386.452 3.257 20 5 GGBDMN O=[N+]([O-])c1ccc(OC2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000137068619 1417366678 /nfs/dbraw/zinc/36/66/78/1417366678.db2.gz GVKMWTFZXWHEMV-LJQANCHMSA-N 0 1 387.392 3.080 20 5 GGBDMN Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000137846531 1417397738 /nfs/dbraw/zinc/39/77/38/1417397738.db2.gz QXIYMNNYLDFJQH-GUYCJALGSA-N 0 1 398.419 3.204 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC000138499478 1417420424 /nfs/dbraw/zinc/42/04/24/1417420424.db2.gz QGRMVTXOARCANB-IBGZPJMESA-N 0 1 379.457 3.386 20 5 GGBDMN O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000138672733 1417433205 /nfs/dbraw/zinc/43/32/05/1417433205.db2.gz LCCDIFBXMVPEJC-UHFFFAOYSA-N 0 1 399.234 3.103 20 5 GGBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824332945 1429186617 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KZARDNRAXROGJO-HXUWFJFHSA-N 0 1 383.448 3.479 20 5 GGBDMN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179367611 1429346638 /nfs/dbraw/zinc/34/66/38/1429346638.db2.gz FNMAEMDQRDFRNE-CQSZACIVSA-N 0 1 396.451 3.184 20 5 GGBDMN CC(C)[N@@H+](C)Cc1ccccc1CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000820111672 1429441765 /nfs/dbraw/zinc/44/17/65/1429441765.db2.gz GKYQSBDOOCKSSJ-UHFFFAOYSA-N 0 1 381.440 3.227 20 5 GGBDMN CC(C)[N@H+](C)Cc1ccccc1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000820111672 1429441770 /nfs/dbraw/zinc/44/17/70/1429441770.db2.gz GKYQSBDOOCKSSJ-UHFFFAOYSA-N 0 1 381.440 3.227 20 5 GGBDMN CC(C)[N@@H+](C)Cc1ccccc1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000820111672 1429441772 /nfs/dbraw/zinc/44/17/72/1429441772.db2.gz GKYQSBDOOCKSSJ-UHFFFAOYSA-N 0 1 381.440 3.227 20 5 GGBDMN C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(OC(F)F)c1 ZINC000179586447 1429455084 /nfs/dbraw/zinc/45/50/84/1429455084.db2.gz XZGKPNIMTILMQI-LBPRGKRZSA-N 0 1 391.374 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FFJXVBAIKGGKRV-UHFFFAOYSA-N 0 1 390.465 3.448 20 5 GGBDMN COc1cccc([C@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])N(C)C)c1 ZINC000175085804 1427538311 /nfs/dbraw/zinc/53/83/11/1427538311.db2.gz TVOXGYZKTJXDTF-INIZCTEOSA-N 0 1 377.828 3.290 20 5 GGBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000175094850 1427543476 /nfs/dbraw/zinc/54/34/76/1427543476.db2.gz IABCLRMPVNGHGE-MRXNPFEDSA-N 0 1 386.452 3.134 20 5 GGBDMN C[C@H](CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000175160747 1427574523 /nfs/dbraw/zinc/57/45/23/1427574523.db2.gz LLKFGWWWKDRWPC-OAHLLOKOSA-N 0 1 391.493 3.321 20 5 GGBDMN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@H+]1Cc1ccccc1 ZINC000820668576 1427675164 /nfs/dbraw/zinc/67/51/64/1427675164.db2.gz VANMCHRRSUWSHZ-GDBMZVCRSA-N 0 1 393.451 3.240 20 5 GGBDMN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820668576 1427675166 /nfs/dbraw/zinc/67/51/66/1427675166.db2.gz VANMCHRRSUWSHZ-GDBMZVCRSA-N 0 1 393.451 3.240 20 5 GGBDMN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@H+]1Cc1ccccc1 ZINC000820668576 1427675169 /nfs/dbraw/zinc/67/51/69/1427675169.db2.gz VANMCHRRSUWSHZ-GDBMZVCRSA-N 0 1 393.451 3.240 20 5 GGBDMN O=C(NCC1(N2CCSCC2)CCCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175478625 1427776633 /nfs/dbraw/zinc/77/66/33/1427776633.db2.gz XOLNPGHDPONZGR-UHFFFAOYSA-N 0 1 383.901 3.340 20 5 GGBDMN CSc1ccc(C(=O)NC2CCN(Cc3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000175665701 1427850220 /nfs/dbraw/zinc/85/02/20/1427850220.db2.gz DXMIATDVYDFQAB-UHFFFAOYSA-N 0 1 386.477 3.106 20 5 GGBDMN C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000175703220 1427864189 /nfs/dbraw/zinc/86/41/89/1427864189.db2.gz XDBXXDSOIBUDBS-UHFFFAOYSA-N 0 1 395.415 3.455 20 5 GGBDMN C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000175703220 1427864192 /nfs/dbraw/zinc/86/41/92/1427864192.db2.gz XDBXXDSOIBUDBS-UHFFFAOYSA-N 0 1 395.415 3.455 20 5 GGBDMN O=[N+]([O-])c1ccc(N2CCN(CCCCCCO)CC2)c(C(F)(F)F)c1 ZINC000175758687 1427881630 /nfs/dbraw/zinc/88/16/30/1427881630.db2.gz NGQFDWOVZMXHMF-UHFFFAOYSA-N 0 1 375.391 3.288 20 5 GGBDMN Cc1ccc([C@H](C)NC(=O)NCCN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000175774700 1427888543 /nfs/dbraw/zinc/88/85/43/1427888543.db2.gz FNNPELBVTXXLQS-INIZCTEOSA-N 0 1 382.464 3.322 20 5 GGBDMN Cc1ccc([C@@H](C)NC(=O)NC2CCN(Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000175912380 1427967671 /nfs/dbraw/zinc/96/76/71/1427967671.db2.gz JZFCUFLZMSFGJY-MRXNPFEDSA-N 0 1 397.479 3.323 20 5 GGBDMN COCc1nc2cc(NS(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)ccc2o1 ZINC000175921884 1427973396 /nfs/dbraw/zinc/97/33/96/1427973396.db2.gz YUTJHJWUULRTKE-UHFFFAOYSA-N 0 1 391.405 3.300 20 5 GGBDMN COCc1nc2cc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)ccc2o1 ZINC000175922584 1427973698 /nfs/dbraw/zinc/97/36/98/1427973698.db2.gz OBCDFFNYGCGMEQ-UHFFFAOYSA-N 0 1 391.405 3.300 20 5 GGBDMN O=C(c1cn[nH]c1-c1ccccc1F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000176145878 1428117019 /nfs/dbraw/zinc/11/70/19/1428117019.db2.gz FNVQISDIBQHLML-UHFFFAOYSA-N 0 1 395.394 3.086 20 5 GGBDMN O=C(C[C@@H]1CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000176215096 1428172557 /nfs/dbraw/zinc/17/25/57/1428172557.db2.gz ANTVGCPLJPVQPR-NSHDSACASA-N 0 1 384.417 3.410 20 5 GGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000176248900 1428194731 /nfs/dbraw/zinc/19/47/31/1428194731.db2.gz XKDQOHTVGBUAQP-XHDPSFHLSA-N 0 1 386.433 3.261 20 5 GGBDMN CCC1(CO)CCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 ZINC000180186971 1429791117 /nfs/dbraw/zinc/79/11/17/1429791117.db2.gz XUDSJTJHRWBOIS-UHFFFAOYSA-N 0 1 388.411 3.232 20 5 GGBDMN C[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000180408009 1429860036 /nfs/dbraw/zinc/86/00/36/1429860036.db2.gz NMGWBEJGOKYPNA-JTQLQIEISA-N 0 1 378.772 3.446 20 5 GGBDMN C[C@H](NCC(=O)Nc1ccnn1Cc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000180415719 1429862725 /nfs/dbraw/zinc/86/27/25/1429862725.db2.gz YQTAAFOIZNMVPB-ZDUSSCGKSA-N 0 1 385.449 3.190 20 5 GGBDMN C[C@@H](NCC(=O)NCc1ccc(OC(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180420995 1429864451 /nfs/dbraw/zinc/86/44/51/1429864451.db2.gz QQXQYXJMAJPDKL-GFCCVEGCSA-N 0 1 379.363 3.163 20 5 GGBDMN C[C@H](NCC(=O)Nc1ccc(N2CCCCC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000180424512 1429865448 /nfs/dbraw/zinc/86/54/48/1429865448.db2.gz WGBIOBYLCQTRLG-HNNXBMFYSA-N 0 1 383.452 3.269 20 5 GGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1cc(F)c(F)c(F)c1 ZINC000180484460 1429880291 /nfs/dbraw/zinc/88/02/91/1429880291.db2.gz JBRVBFZEHYZALX-UHFFFAOYSA-N 0 1 397.353 3.481 20 5 GGBDMN CC1CCN([C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000180597854 1429922328 /nfs/dbraw/zinc/92/23/28/1429922328.db2.gz CJRWXGXLDVNHLD-MRXNPFEDSA-N 0 1 388.493 3.442 20 5 GGBDMN C[N@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000825976164 1429926174 /nfs/dbraw/zinc/92/61/74/1429926174.db2.gz FSEFRBYXFPBCLM-UHFFFAOYSA-N 0 1 390.350 3.008 20 5 GGBDMN C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000825976164 1429926178 /nfs/dbraw/zinc/92/61/78/1429926178.db2.gz FSEFRBYXFPBCLM-UHFFFAOYSA-N 0 1 390.350 3.008 20 5 GGBDMN CC[C@H](N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000180644064 1429951197 /nfs/dbraw/zinc/95/11/97/1429951197.db2.gz UEQBKAZNEXTHOX-HIFRSBDPSA-N 0 1 385.420 3.434 20 5 GGBDMN CC[C@@H](N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000180644079 1429951943 /nfs/dbraw/zinc/95/19/43/1429951943.db2.gz UEQBKAZNEXTHOX-UKRRQHHQSA-N 0 1 385.420 3.434 20 5 GGBDMN C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(-n2cccn2)cc1 ZINC000180822982 1430058524 /nfs/dbraw/zinc/05/85/24/1430058524.db2.gz PVURXJGDZAAOHK-HNNXBMFYSA-N 0 1 391.431 3.020 20 5 GGBDMN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(-n2cccn2)cc1 ZINC000180834833 1430063195 /nfs/dbraw/zinc/06/31/95/1430063195.db2.gz YSUMMUFHYOGHNB-OAHLLOKOSA-N 0 1 391.431 3.020 20 5 GGBDMN COc1cc(CN2CC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000180850619 1430069499 /nfs/dbraw/zinc/06/94/99/1430069499.db2.gz FWJSPOOFNWWFMJ-WBVHZDCISA-N 0 1 386.448 3.385 20 5 GGBDMN COc1ccc([C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])N2CCCCC2)cc1 ZINC000180885214 1430088760 /nfs/dbraw/zinc/08/87/60/1430088760.db2.gz FCNGNBQUVZUPGS-LJQANCHMSA-N 0 1 398.463 3.143 20 5 GGBDMN COc1ccc(CN2CC[C@H](N[C@@H](C)c3cccc([N+](=O)[O-])c3C)C2=O)cc1 ZINC000180914729 1430111302 /nfs/dbraw/zinc/11/13/02/1430111302.db2.gz KIEABOFDRPZNEM-KXBFYZLASA-N 0 1 383.448 3.364 20 5 GGBDMN CC[C@@H](N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000180923253 1430117373 /nfs/dbraw/zinc/11/73/73/1430117373.db2.gz DUDLMELTQZDSJO-WOJBJXKFSA-N 0 1 383.448 3.445 20 5 GGBDMN CC[C@H](N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000180923270 1430117525 /nfs/dbraw/zinc/11/75/25/1430117525.db2.gz DUDLMELTQZDSJO-PMACEKPBSA-N 0 1 383.448 3.445 20 5 GGBDMN CC[C@H](N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000180923231 1430117814 /nfs/dbraw/zinc/11/78/14/1430117814.db2.gz DUDLMELTQZDSJO-VQTJNVASSA-N 0 1 383.448 3.445 20 5 GGBDMN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000180942222 1430126928 /nfs/dbraw/zinc/12/69/28/1430126928.db2.gz MENRUNNZKZIEKE-NSHDSACASA-N 0 1 397.353 3.486 20 5 GGBDMN COc1ccccc1[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])N1CCCCC1 ZINC000180954408 1430133447 /nfs/dbraw/zinc/13/34/47/1430133447.db2.gz RMPNJOADGLZBQN-SFHVURJKSA-N 0 1 398.463 3.143 20 5 GGBDMN COc1cc(CN(C)C[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000181092027 1430207128 /nfs/dbraw/zinc/20/71/28/1430207128.db2.gz BVBLCRWZSWGFKT-WFASDCNBSA-N 0 1 388.411 3.230 20 5 GGBDMN COc1cc(CN(C)C[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000181092050 1430207164 /nfs/dbraw/zinc/20/71/64/1430207164.db2.gz BVBLCRWZSWGFKT-DOMZBBRYSA-N 0 1 388.411 3.230 20 5 GGBDMN CN1c2ccc(S(=O)(=O)Nc3ccc([N+](=O)[O-])cc3)c3cccc(c23)C1=O ZINC000181330635 1430274713 /nfs/dbraw/zinc/27/47/13/1430274713.db2.gz RCYPFRFGGMOHPQ-UHFFFAOYSA-N 0 1 383.385 3.139 20 5 GGBDMN C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(N2CCCC2=O)c1 ZINC000181426525 1430295904 /nfs/dbraw/zinc/29/59/04/1430295904.db2.gz DWYDGFFTIBAHCU-CABCVRRESA-N 0 1 396.447 3.399 20 5 GGBDMN C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(N2CCCC2=O)c1 ZINC000181426843 1430295986 /nfs/dbraw/zinc/29/59/86/1430295986.db2.gz ILQPJRHKXAHURZ-HNNXBMFYSA-N 0 1 396.447 3.035 20 5 GGBDMN O=[N+]([O-])c1ccc(CCNCc2cn(-c3ccc(F)c(Cl)c3)nn2)cc1 ZINC000181523384 1430314999 /nfs/dbraw/zinc/31/49/99/1430314999.db2.gz SOPKQRZGRHMAQK-UHFFFAOYSA-N 0 1 375.791 3.300 20 5 GGBDMN CCOc1ccc([C@H](C)N[C@H]2CCCN(CC(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000181526034 1430315508 /nfs/dbraw/zinc/31/55/08/1430315508.db2.gz DYWKLLUDAOUSGB-AAEUAGOBSA-N 0 1 389.374 3.197 20 5 GGBDMN CN(Cc1ccccc1)CC(C)(C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181533738 1430316710 /nfs/dbraw/zinc/31/67/10/1430316710.db2.gz FRTVRHOKTWHMKZ-UHFFFAOYSA-N 0 1 397.522 3.382 20 5 GGBDMN Cc1ccc([C@H](C)NCC(=O)NC[C@@H]2CCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000181808486 1430364915 /nfs/dbraw/zinc/36/49/15/1430364915.db2.gz BIQGQYPTMZJWED-ROUUACIJSA-N 0 1 396.491 3.197 20 5 GGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181819898 1430366889 /nfs/dbraw/zinc/36/68/89/1430366889.db2.gz SLKURSWAPBHJEW-LBPRGKRZSA-N 0 1 388.380 3.109 20 5 GGBDMN COc1cccc(S(=O)(=O)CCN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181818642 1430367028 /nfs/dbraw/zinc/36/70/28/1430367028.db2.gz RDQMHQZFMNAXDB-CQSZACIVSA-N 0 1 378.450 3.036 20 5 GGBDMN CCOCc1ccc(CNC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181828457 1430368630 /nfs/dbraw/zinc/36/86/30/1430368630.db2.gz OQTBDGXZDHPVHI-INIZCTEOSA-N 0 1 385.464 3.407 20 5 GGBDMN Cc1ccc([C@@H](C)NCC(=O)Nc2ccccc2N2CCCC2=O)cc1[N+](=O)[O-] ZINC000181834654 1430369791 /nfs/dbraw/zinc/36/97/91/1430369791.db2.gz 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O=C(Nc1cccc(Cl)c1O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000182077422 1430406856 /nfs/dbraw/zinc/40/68/56/1430406856.db2.gz YVVSNQVDEPBJRT-UHFFFAOYSA-N 0 1 377.784 3.043 20 5 GGBDMN C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000182120240 1430415616 /nfs/dbraw/zinc/41/56/16/1430415616.db2.gz PQENJWIZBXJEJY-HNNXBMFYSA-N 0 1 375.469 3.417 20 5 GGBDMN CC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 ZINC000182178183 1430425097 /nfs/dbraw/zinc/42/50/97/1430425097.db2.gz PBSWMZZSUPDADK-SFHVURJKSA-N 0 1 378.450 3.118 20 5 GGBDMN COc1ccc(Cl)cc1CN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182190210 1430427138 /nfs/dbraw/zinc/42/71/38/1430427138.db2.gz JEKPWECQRGVVLW-OAHLLOKOSA-N 0 1 380.828 3.129 20 5 GGBDMN COc1ccc([C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000182197667 1430428365 /nfs/dbraw/zinc/42/83/65/1430428365.db2.gz OGGKBGNVCOEWCA-IBGZPJMESA-N 0 1 390.461 3.118 20 5 GGBDMN C[C@@H](C(=O)NC[C@@H](c1ccco1)N1CCCC1)c1ccc([N+](=O)[O-])cc1F 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ZINC000187778817 1431811369 /nfs/dbraw/zinc/81/13/69/1431811369.db2.gz CDHFTRSVYLGOJQ-UHFFFAOYSA-N 0 1 389.437 3.179 20 5 GGBDMN CSc1cccc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)c1[N+](=O)[O-] ZINC000188016468 1431836834 /nfs/dbraw/zinc/83/68/34/1431836834.db2.gz XZYHTQFSFSBQPD-OAHLLOKOSA-N 0 1 377.441 3.489 20 5 GGBDMN CSc1cccc(C(=O)NC2CCN(Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000188068356 1431842206 /nfs/dbraw/zinc/84/22/06/1431842206.db2.gz XKOXVQBTUGXXJI-UHFFFAOYSA-N 0 1 386.477 3.106 20 5 GGBDMN CSc1cccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1[N+](=O)[O-] ZINC000188263322 1431866905 /nfs/dbraw/zinc/86/69/05/1431866905.db2.gz XXPWJPRPZRFOAE-LBPRGKRZSA-N 0 1 387.465 3.332 20 5 GGBDMN CCc1[nH]nc(C(=O)N(CCc2ccccc2)Cc2cccnc2)c1[N+](=O)[O-] ZINC000188369452 1431877800 /nfs/dbraw/zinc/87/78/00/1431877800.db2.gz BDITXORIDYJDTB-UHFFFAOYSA-N 0 1 379.420 3.160 20 5 GGBDMN Cc1cccc2nc(CCC(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)[nH]c21 ZINC000188469542 1431886725 /nfs/dbraw/zinc/88/67/25/1431886725.db2.gz MGQDYAANWQPTCU-UHFFFAOYSA-N 0 1 380.404 3.002 20 5 GGBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cc([N+](=O)[O-])ccc4N)C3)[nH]c2c1 ZINC000188516561 1431890979 /nfs/dbraw/zinc/89/09/79/1431890979.db2.gz HPINSGUTVAHHBL-CYBMUJFWSA-N 0 1 379.420 3.382 20 5 GGBDMN Cc1ccc(C)c(S(=O)(=O)Nc2cc3c(cc2F)NC(=O)CC3)c1[N+](=O)[O-] ZINC000189350124 1432091356 /nfs/dbraw/zinc/09/13/56/1432091356.db2.gz GEWGTXHZLLVCCJ-UHFFFAOYSA-N 0 1 393.396 3.036 20 5 GGBDMN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000189464887 1432120968 /nfs/dbraw/zinc/12/09/68/1432120968.db2.gz BLSPKLQCPBDOOX-FQEVSTJZSA-N 0 1 382.420 3.275 20 5 GGBDMN O=C1[C@H](NCc2ccc([N+](=O)[O-])cc2)CCCN1Cc1ccc(F)cc1F ZINC000189785043 1432234652 /nfs/dbraw/zinc/23/46/52/1432234652.db2.gz DONSTWIHRYIIFX-GOSISDBHSA-N 0 1 375.375 3.154 20 5 GGBDMN CCc1ccc([C@@H](COC)NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])o1 ZINC000190010027 1432304507 /nfs/dbraw/zinc/30/45/07/1432304507.db2.gz CWDZQSRPAPSDQY-CQSZACIVSA-N 0 1 382.438 3.033 20 5 GGBDMN 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ZINC000191727987 1432713329 /nfs/dbraw/zinc/71/33/29/1432713329.db2.gz YLNCHUFAEZMQAH-QAPCUYQASA-N 0 1 386.448 3.243 20 5 GGBDMN COc1cc(CN2C[C@@H](C)[C@H](CO)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000191727987 1432713337 /nfs/dbraw/zinc/71/33/37/1432713337.db2.gz YLNCHUFAEZMQAH-QAPCUYQASA-N 0 1 386.448 3.243 20 5 GGBDMN C[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C ZINC000191738669 1432714787 /nfs/dbraw/zinc/71/47/87/1432714787.db2.gz YTWOZPNEPGPWCS-HNNXBMFYSA-N 0 1 393.447 3.014 20 5 GGBDMN Cc1cc(C)c(S(=O)(=O)Nc2ccccc2N2CCCC2=O)cc1[N+](=O)[O-] ZINC000191785828 1432724771 /nfs/dbraw/zinc/72/47/71/1432724771.db2.gz LBRMCQHVWYCIFL-UHFFFAOYSA-N 0 1 389.433 3.139 20 5 GGBDMN CC(=O)Nc1cc(F)c(F)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191794993 1432726667 /nfs/dbraw/zinc/72/66/67/1432726667.db2.gz FWYUKZLLCRVTDA-UHFFFAOYSA-N 0 1 399.375 3.249 20 5 GGBDMN O=C(CN[C@H]1CCO[C@H]1c1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000192024414 1432780880 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UNAMLOYPTJMQHN-WBMJQRKESA-N 0 1 385.420 3.303 20 5 GGBDMN CCOc1ccc(NC(=O)CN[C@H]2CCCc3c(O)cccc32)c([N+](=O)[O-])c1 ZINC000192365907 1432837729 /nfs/dbraw/zinc/83/77/29/1432837729.db2.gz DPOGVDXAWICURE-INIZCTEOSA-N 0 1 385.420 3.305 20 5 GGBDMN COc1cc(C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)c([N+](=O)[O-])cc1OC ZINC000192473125 1432848963 /nfs/dbraw/zinc/84/89/63/1432848963.db2.gz IGCPWSMUUNEGCQ-UHFFFAOYSA-N 0 1 386.364 3.464 20 5 GGBDMN CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000192490227 1432850383 /nfs/dbraw/zinc/85/03/83/1432850383.db2.gz UNGXYZMXENWVRW-GASCZTMLSA-N 0 1 387.484 3.341 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1[N+](=O)[O-] ZINC000192493654 1432850797 /nfs/dbraw/zinc/85/07/97/1432850797.db2.gz PYOWLAVFILFPCT-AWEZNQCLSA-N 0 1 396.407 3.298 20 5 GGBDMN Cc1cccc(N2CCN(CCCNC(=O)c3c(C)cccc3[N+](=O)[O-])CC2)c1 ZINC000192538450 1432856739 /nfs/dbraw/zinc/85/67/39/1432856739.db2.gz PJPFUHCUCMAQBW-UHFFFAOYSA-N 0 1 396.491 3.154 20 5 GGBDMN CCc1[nH]nc(C(=O)N2C[C@H](c3ccccc3Cl)OC[C@H]2C)c1[N+](=O)[O-] ZINC000192559441 1432859785 /nfs/dbraw/zinc/85/97/85/1432859785.db2.gz HMTCBHBGILMFJF-QMTHXVAHSA-N 0 1 378.816 3.136 20 5 GGBDMN COc1ccc([C@@H](CNC(=O)c2c(C)cccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000192907533 1432905867 /nfs/dbraw/zinc/90/58/67/1432905867.db2.gz JLBAWCFSBNDATN-LJQANCHMSA-N 0 1 383.448 3.479 20 5 GGBDMN COc1cccc([C@@H](CNC(=O)c2c(C)cccc2[N+](=O)[O-])N2CCCC2)c1 ZINC000192917243 1432907289 /nfs/dbraw/zinc/90/72/89/1432907289.db2.gz HKMUODJLVGZOEC-LJQANCHMSA-N 0 1 383.448 3.479 20 5 GGBDMN COc1ccccc1N1CC[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000193019076 1432923002 /nfs/dbraw/zinc/92/30/02/1432923002.db2.gz BRWNMRAYHOUIMG-ZWKOTPCHSA-N 0 1 381.432 3.376 20 5 GGBDMN C[C@H]([NH2+]C1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCCC1)c1ccccc1 ZINC000193569906 1433021353 /nfs/dbraw/zinc/02/13/53/1433021353.db2.gz VKURCLDCNUALCO-AWEZNQCLSA-N 0 1 384.436 3.089 20 5 GGBDMN COc1cccc(C(=O)NCC(C)(C)N2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000193979683 1433095545 /nfs/dbraw/zinc/09/55/45/1433095545.db2.gz RHGAQPBDUUHCIU-UHFFFAOYSA-N 0 1 383.448 3.170 20 5 GGBDMN CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000194118207 1433120730 /nfs/dbraw/zinc/12/07/30/1433120730.db2.gz UEYFXASRCODIIV-AWEZNQCLSA-N 0 1 396.403 3.163 20 5 GGBDMN CC(C)c1nc(-c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000194193215 1433135758 /nfs/dbraw/zinc/13/57/58/1433135758.db2.gz AJULHTQNPAPYMT-UHFFFAOYSA-N 0 1 387.421 3.304 20 5 GGBDMN O=C(c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)N1CCCCC1 ZINC000194203111 1433137699 /nfs/dbraw/zinc/13/76/99/1433137699.db2.gz DCMUWQAEFDISDK-UHFFFAOYSA-N 0 1 389.433 3.022 20 5 GGBDMN COc1cccc([C@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)N(C)C)c1 ZINC000194276979 1433154091 /nfs/dbraw/zinc/15/40/91/1433154091.db2.gz YLRMGLUCEDNJOJ-KUHUBIRLSA-N 0 1 386.452 3.267 20 5 GGBDMN COc1cccc([C@@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)N(C)C)c1 ZINC000194276990 1433154109 /nfs/dbraw/zinc/15/41/09/1433154109.db2.gz YLRMGLUCEDNJOJ-IFXJQAMLSA-N 0 1 386.452 3.267 20 5 GGBDMN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC3(c4nnc[nH]4)CCC3)cc2[N+](=O)[O-])C1 ZINC000194292843 1433156905 /nfs/dbraw/zinc/15/69/05/1433156905.db2.gz ALEAKRCSDWYQSH-OKILXGFUSA-N 0 1 398.467 3.004 20 5 GGBDMN CC[NH+](CC)Cc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000194336923 1433163622 /nfs/dbraw/zinc/16/36/22/1433163622.db2.gz YEJKQFZUSBYWDI-UHFFFAOYSA-N 0 1 395.456 3.054 20 5 GGBDMN O=C(NCc1ccccc1[N+](=O)[O-])NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000194417353 1433174814 /nfs/dbraw/zinc/17/48/14/1433174814.db2.gz DYGHNGPHUXVVQS-UHFFFAOYSA-N 0 1 386.427 3.198 20 5 GGBDMN CCN(CC)[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC)c1ccco1 ZINC000194480638 1433185167 /nfs/dbraw/zinc/18/51/67/1433185167.db2.gz DIRJGZROQIYRTN-INIZCTEOSA-N 0 1 390.440 3.079 20 5 GGBDMN COc1cccc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000194543375 1433195195 /nfs/dbraw/zinc/19/51/95/1433195195.db2.gz LQVUYBFLSNWPSX-QGZVFWFLSA-N 0 1 383.448 3.340 20 5 GGBDMN Cc1cc(C(=O)NC(C)C)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000194725511 1433220527 /nfs/dbraw/zinc/22/05/27/1433220527.db2.gz IQWIEVIKWXEYNK-UHFFFAOYSA-N 0 1 391.449 3.151 20 5 GGBDMN COc1ccccc1[C@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])N1CCCC1 ZINC000195320903 1433318609 /nfs/dbraw/zinc/31/86/09/1433318609.db2.gz MRCNQFTUGWQLES-KRWDZBQOSA-N 0 1 399.447 3.179 20 5 GGBDMN COc1cccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)c1[N+](=O)[O-] ZINC000195336685 1433320247 /nfs/dbraw/zinc/32/02/47/1433320247.db2.gz CDTIXTZCUFOHDR-CQSZACIVSA-N 0 1 375.450 3.232 20 5 GGBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000229811254 1433371937 /nfs/dbraw/zinc/37/19/37/1433371937.db2.gz YIZJMPCTKLITLQ-YHYXMXQVSA-N 0 1 380.448 3.307 20 5 GGBDMN COc1cc(CNC[C@@H]2CCCCO2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237238764 1433393622 /nfs/dbraw/zinc/39/36/22/1433393622.db2.gz INDSNMQSFKZUBV-LBPRGKRZSA-N 0 1 378.347 3.203 20 5 GGBDMN COc1ccc(-c2ccc(CN[C@H]3CC(=O)N(C(C)(C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000237439195 1433403391 /nfs/dbraw/zinc/40/33/91/1433403391.db2.gz GWAQULKCGGQTLC-ZDUSSCGKSA-N 0 1 387.436 3.352 20 5 GGBDMN C[C@H]1CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CCN1 ZINC000237558229 1433409475 /nfs/dbraw/zinc/40/94/75/1433409475.db2.gz RXIFEXRJEGMGSE-ZDUSSCGKSA-N 0 1 388.855 3.294 20 5 GGBDMN O=C1[C@@H](N2CC[C@@H](COCc3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000245449634 1433470002 /nfs/dbraw/zinc/47/00/02/1433470002.db2.gz NWKXGVFKDMBYHM-NQIIRXRSSA-N 0 1 395.459 3.239 20 5 GGBDMN O=[N+]([O-])c1c(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)ccc2ncccc21 ZINC000245614315 1433491249 /nfs/dbraw/zinc/49/12/49/1433491249.db2.gz LCKDWNMRKFXVBZ-IRXDYDNUSA-N 0 1 378.432 3.190 20 5 GGBDMN O=[N+]([O-])c1c(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)ccc2ncccc21 ZINC000245614311 1433491296 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/nfs/dbraw/zinc/66/59/26/1433665926.db2.gz OTJZYCGCIAYOSV-RDJZCZTQSA-N 0 1 383.448 3.495 20 5 GGBDMN O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000247204629 1433690510 /nfs/dbraw/zinc/69/05/10/1433690510.db2.gz CDSULLUPYGZRSG-MSOLQXFVSA-N 0 1 378.860 3.423 20 5 GGBDMN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000248047982 1433766074 /nfs/dbraw/zinc/76/60/74/1433766074.db2.gz MTDVUZNOXRIOIL-UHFFFAOYSA-N 0 1 382.464 3.009 20 5 GGBDMN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000248047982 1433766080 /nfs/dbraw/zinc/76/60/80/1433766080.db2.gz MTDVUZNOXRIOIL-UHFFFAOYSA-N 0 1 382.464 3.009 20 5 GGBDMN COc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC)N2CCCC2)c1 ZINC000248139319 1433773138 /nfs/dbraw/zinc/77/31/38/1433773138.db2.gz OTLIDWGDQQBMFO-IBGZPJMESA-N 0 1 399.447 3.179 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000248148283 1433774800 /nfs/dbraw/zinc/77/48/00/1433774800.db2.gz UIYFAEVDUHWVCM-HNNXBMFYSA-N 0 1 385.468 3.301 20 5 GGBDMN O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248485511 1433805693 /nfs/dbraw/zinc/80/56/93/1433805693.db2.gz DZNJOEPCXPOREO-RTBURBONSA-N 0 1 395.459 3.427 20 5 GGBDMN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000248886136 1433827872 /nfs/dbraw/zinc/82/78/72/1433827872.db2.gz XYSDQRBWBSIEMJ-GMBSWORKSA-N 0 1 385.420 3.066 20 5 GGBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000248976593 1433831255 /nfs/dbraw/zinc/83/12/55/1433831255.db2.gz HUKDUGWUJRAYCS-ZIAGYGMSSA-N 0 1 378.375 3.102 20 5 GGBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000248976593 1433831257 /nfs/dbraw/zinc/83/12/57/1433831257.db2.gz HUKDUGWUJRAYCS-ZIAGYGMSSA-N 0 1 378.375 3.102 20 5 GGBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000249035693 1433832699 /nfs/dbraw/zinc/83/26/99/1433832699.db2.gz TZFFVQDNJSMOQL-UKRRQHHQSA-N 0 1 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C[C@@H]1C[C@@H](N(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000272571791 1434909014 /nfs/dbraw/zinc/90/90/14/1434909014.db2.gz SADUJQIRFVWJLL-QAPCUYQASA-N 0 1 383.448 3.426 20 5 GGBDMN C[C@H]1C[C@H](N(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000272571788 1434909027 /nfs/dbraw/zinc/90/90/27/1434909027.db2.gz SADUJQIRFVWJLL-MAUKXSAKSA-N 0 1 383.448 3.426 20 5 GGBDMN Cn1ccnc1[C@@H](N[C@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272575035 1434909698 /nfs/dbraw/zinc/90/96/98/1434909698.db2.gz WXTBKAICAVWYNQ-FPOVZHCZSA-N 0 1 391.475 3.282 20 5 GGBDMN COc1ccc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1[N+](=O)[O-] ZINC000272813069 1434932802 /nfs/dbraw/zinc/93/28/02/1434932802.db2.gz JRBKQBGSAOBIOB-GFCCVEGCSA-N 0 1 386.412 3.010 20 5 GGBDMN Cc1cc(C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3C)CC2)n[nH]1 ZINC000272835565 1434934835 /nfs/dbraw/zinc/93/48/35/1434934835.db2.gz IRABFUBAJGITTL-UHFFFAOYSA-N 0 1 398.872 3.156 20 5 GGBDMN Cc1cc(N2CCn3c(nnc3C(F)(F)F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272866791 1434937252 /nfs/dbraw/zinc/93/72/52/1434937252.db2.gz RVUYLTFZJUFMNF-UHFFFAOYSA-N 0 1 378.314 3.082 20 5 GGBDMN Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2ccc([S@@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000272942501 1434942845 /nfs/dbraw/zinc/94/28/45/1434942845.db2.gz LFOTVMXFUWNOQN-MDNHHPLHSA-N 0 1 389.477 3.318 20 5 GGBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000273300017 1434979273 /nfs/dbraw/zinc/97/92/73/1434979273.db2.gz GYKJTXFHWQUZHE-INIZCTEOSA-N 0 1 394.431 3.000 20 5 GGBDMN CCOc1ccc([C@H](C)N[C@H]2CCCN(Cc3ccccn3)C2=O)cc1[N+](=O)[O-] ZINC000273324016 1434980912 /nfs/dbraw/zinc/98/09/12/1434980912.db2.gz ZVEMUQPXIATMFT-YJBOKZPZSA-N 0 1 398.463 3.230 20 5 GGBDMN O=C(CCc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1)N1CCCC1 ZINC000274655436 1435083442 /nfs/dbraw/zinc/08/34/42/1435083442.db2.gz UDWWCNGPFGMRGH-UHFFFAOYSA-N 0 1 383.404 3.108 20 5 GGBDMN Cc1nc2sccn2c1CN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275626617 1435153874 /nfs/dbraw/zinc/15/38/74/1435153874.db2.gz PJPTVKITLGQHCK-UHFFFAOYSA-N 0 1 391.428 3.212 20 5 GGBDMN CS[C@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@H]1N(C)C ZINC000275910257 1435179216 /nfs/dbraw/zinc/17/92/16/1435179216.db2.gz DJNQHIHMZONKTR-MOPGFXCFSA-N 0 1 381.501 3.211 20 5 GGBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)n[nH]1 ZINC000276941729 1435245387 /nfs/dbraw/zinc/24/53/87/1435245387.db2.gz UUQFXZHQDRPQFK-ZJUUUORDSA-N 0 1 380.836 3.440 20 5 GGBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)n[nH]1 ZINC000276941719 1435245452 /nfs/dbraw/zinc/24/54/52/1435245452.db2.gz UUQFXZHQDRPQFK-NXEZZACHSA-N 0 1 380.836 3.440 20 5 GGBDMN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2n[nH]c([C@H](C)CC)n2)cc1OC ZINC000277147691 1435268774 /nfs/dbraw/zinc/26/87/74/1435268774.db2.gz VZWQLVSJVGQGLR-MNOVXSKESA-N 0 1 391.428 3.125 20 5 GGBDMN Cc1noc(C[C@@H](N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000277229701 1435281487 /nfs/dbraw/zinc/28/14/87/1435281487.db2.gz GPHSVRBTMXWJGP-FZKQIMNGSA-N 0 1 395.419 3.187 20 5 GGBDMN CC(C)(C)OC(=O)C[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[O-] ZINC000277395354 1435301515 /nfs/dbraw/zinc/30/15/15/1435301515.db2.gz RPVJJNNYFXAUTL-OAHLLOKOSA-N 0 1 390.392 3.129 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N(Cc2ccc(F)cc2)C2CCOCC2)c1[N+](=O)[O-] ZINC000277859314 1435336916 /nfs/dbraw/zinc/33/69/16/1435336916.db2.gz OBNNDMSSAZRPAE-UHFFFAOYSA-N 0 1 390.415 3.402 20 5 GGBDMN Cn1cc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000278342372 1435381855 /nfs/dbraw/zinc/38/18/55/1435381855.db2.gz HTTLVPRSEUDECH-CXAGYDPISA-N 0 1 398.385 3.131 20 5 GGBDMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279409022 1435496122 /nfs/dbraw/zinc/49/61/22/1435496122.db2.gz KHBGHKZRVNKGOE-CQSZACIVSA-N 0 1 386.427 3.053 20 5 GGBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3cc([N+](=O)[O-])c(F)cc3N)[nH]c2c1 ZINC000279481331 1435504048 /nfs/dbraw/zinc/50/40/48/1435504048.db2.gz QUWJDRYBFDDTQW-MRXNPFEDSA-N 0 1 383.383 3.478 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CCC(n3c(C)nc4ccccc43)CC2)c1[N+](=O)[O-] ZINC000279812878 1435546485 /nfs/dbraw/zinc/54/64/85/1435546485.db2.gz OISGJRHPUYMHCX-UHFFFAOYSA-N 0 1 382.424 3.016 20 5 GGBDMN CC(C)c1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC000279842381 1435549874 /nfs/dbraw/zinc/54/98/74/1435549874.db2.gz HJGIXKDONBMEBK-UHFFFAOYSA-N 0 1 390.343 3.328 20 5 GGBDMN CCCc1[nH]nc(C(=O)N2CCC(n3c(C)nc4ccccc43)CC2)c1[N+](=O)[O-] ZINC000279876569 1435556474 /nfs/dbraw/zinc/55/64/74/1435556474.db2.gz WPZLJASQCXPNDF-UHFFFAOYSA-N 0 1 396.451 3.406 20 5 GGBDMN Cc1ccc([C@@H](NCCOc2ccccc2[N+](=O)[O-])[C@@H](C)S(C)(=O)=O)cc1 ZINC000280817453 1435725625 /nfs/dbraw/zinc/72/56/25/1435725625.db2.gz NANLKICSBSQPFV-BEFAXECRSA-N 0 1 392.477 3.046 20 5 GGBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000281068291 1435767229 /nfs/dbraw/zinc/76/72/29/1435767229.db2.gz ZLMBVUWPCHRLNL-HNNXBMFYSA-N 0 1 375.425 3.399 20 5 GGBDMN Cc1[nH]nc(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)c1[N+](=O)[O-] ZINC000281882065 1435825444 /nfs/dbraw/zinc/82/54/44/1435825444.db2.gz OVKDKRIUPJKODH-HNNXBMFYSA-N 0 1 380.408 3.384 20 5 GGBDMN CC(C)(C)c1cnc(CCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)o1 ZINC000282527313 1435850285 /nfs/dbraw/zinc/85/02/85/1435850285.db2.gz RGMLYFSMXIMBEE-UHFFFAOYSA-N 0 1 384.396 3.237 20 5 GGBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1 ZINC000282717789 1435857641 /nfs/dbraw/zinc/85/76/41/1435857641.db2.gz VQJRPXMLQAKKPD-UHFFFAOYSA-N 0 1 398.463 3.306 20 5 GGBDMN CN(C)[C@@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000282747351 1435858851 /nfs/dbraw/zinc/85/88/51/1435858851.db2.gz YNFMXOPZBUVYOQ-INIZCTEOSA-N 0 1 376.482 3.143 20 5 GGBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](n3c(C)nc4c3CCCC4)C2)c1 ZINC000283355546 1435885883 /nfs/dbraw/zinc/88/58/83/1435885883.db2.gz ZLNLAKZHJAPNPU-HNNXBMFYSA-N 0 1 398.463 3.464 20 5 GGBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2cccc(OC)c2)N(C)C)c1 ZINC000283585511 1435896684 /nfs/dbraw/zinc/89/66/84/1435896684.db2.gz WWXGBWFUXKBXEN-LJQANCHMSA-N 0 1 387.436 3.035 20 5 GGBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(F)c(CN(C)C)c2)c1 ZINC000283640513 1435899064 /nfs/dbraw/zinc/89/90/64/1435899064.db2.gz CDZWAJJIPMQUIJ-UHFFFAOYSA-N 0 1 375.400 3.124 20 5 GGBDMN CC(=O)c1cc(N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000283734026 1435912583 /nfs/dbraw/zinc/91/25/83/1435912583.db2.gz IDWXKYFNVZPTON-HUUCEWRRSA-N 0 1 375.469 3.123 20 5 GGBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000284157672 1436000461 /nfs/dbraw/zinc/00/04/61/1436000461.db2.gz PWMYBZMEWHNFBY-WBVHZDCISA-N 0 1 379.319 3.401 20 5 GGBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000284157666 1436000515 /nfs/dbraw/zinc/00/05/15/1436000515.db2.gz PWMYBZMEWHNFBY-DOTOQJQBSA-N 0 1 379.319 3.401 20 5 GGBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000284157668 1436000538 /nfs/dbraw/zinc/00/05/38/1436000538.db2.gz PWMYBZMEWHNFBY-NVXWUHKLSA-N 0 1 379.319 3.401 20 5 GGBDMN CCS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284252062 1436007362 /nfs/dbraw/zinc/00/73/62/1436007362.db2.gz RIGZZQGJKUWOKF-CHWSQXEVSA-N 0 1 377.466 3.382 20 5 GGBDMN CCOc1ccc([C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000825632399 1441503389 /nfs/dbraw/zinc/50/33/89/1441503389.db2.gz QKXWYDGTXVBFIH-NSHDSACASA-N 0 1 386.387 3.164 20 5 GGBDMN C[C@@H]1CCCC[N@H+]1CCC1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000820703240 1441956359 /nfs/dbraw/zinc/95/63/59/1441956359.db2.gz DGNZGUWDCOSFPX-OAHLLOKOSA-N 0 1 399.499 3.256 20 5 GGBDMN C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000820703240 1441956362 /nfs/dbraw/zinc/95/63/62/1441956362.db2.gz DGNZGUWDCOSFPX-OAHLLOKOSA-N 0 1 399.499 3.256 20 5 GGBDMN C[C@@H]1CCCC[N@H+]1CCC1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000820703240 1441956365 /nfs/dbraw/zinc/95/63/65/1441956365.db2.gz DGNZGUWDCOSFPX-OAHLLOKOSA-N 0 1 399.499 3.256 20 5 GGBDMN C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824647623 1443086919 /nfs/dbraw/zinc/08/69/19/1443086919.db2.gz ABAYVNWYDDPFBQ-WMLDXEAASA-N 0 1 393.451 3.097 20 5 GGBDMN C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824647623 1443086924 /nfs/dbraw/zinc/08/69/24/1443086924.db2.gz ABAYVNWYDDPFBQ-WMLDXEAASA-N 0 1 393.451 3.097 20 5 GGBDMN C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824647623 1443086928 /nfs/dbraw/zinc/08/69/28/1443086928.db2.gz ABAYVNWYDDPFBQ-WMLDXEAASA-N 0 1 393.451 3.097 20 5 GGBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735913780 1443345058 /nfs/dbraw/zinc/34/50/58/1443345058.db2.gz QUIKAFQHWBOVRN-UHFFFAOYSA-N 0 1 382.424 3.194 20 5 GGBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735913780 1443345063 /nfs/dbraw/zinc/34/50/63/1443345063.db2.gz QUIKAFQHWBOVRN-UHFFFAOYSA-N 0 1 382.424 3.194 20 5 GGBDMN C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]1c1ccc(Cl)cc1 ZINC000826029585 1443820540 /nfs/dbraw/zinc/82/05/40/1443820540.db2.gz UMILIOIGDGJIPR-IAGOWNOFSA-N 0 1 399.842 3.286 20 5 GGBDMN C[C@H](CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@@H+](C)Cc1ccccc1 ZINC000820242188 1443998857 /nfs/dbraw/zinc/99/88/57/1443998857.db2.gz LSJHAZZFJSHPOH-CQSZACIVSA-N 0 1 381.440 3.097 20 5 GGBDMN C[C@H](CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@H+](C)Cc1ccccc1 ZINC000820242188 1443998859 /nfs/dbraw/zinc/99/88/59/1443998859.db2.gz LSJHAZZFJSHPOH-CQSZACIVSA-N 0 1 381.440 3.097 20 5 GGBDMN C[C@H](CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@@H+](C)Cc1ccccc1 ZINC000820242188 1443998860 /nfs/dbraw/zinc/99/88/60/1443998860.db2.gz LSJHAZZFJSHPOH-CQSZACIVSA-N 0 1 381.440 3.097 20 5 GGBDMN C[C@@H]([NH2+]C(C)(C)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC000736131136 1444009476 /nfs/dbraw/zinc/00/94/76/1444009476.db2.gz JJOXGBPRZVFMGJ-CYBMUJFWSA-N 0 1 381.440 3.316 20 5 GGBDMN C[N@@H+]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000826029946 1446738565 /nfs/dbraw/zinc/73/85/65/1446738565.db2.gz YJPZYXMDCZDQIZ-WBVHZDCISA-N 0 1 399.842 3.286 20 5 GGBDMN C[N@H+]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000826029946 1446738568 /nfs/dbraw/zinc/73/85/68/1446738568.db2.gz YJPZYXMDCZDQIZ-WBVHZDCISA-N 0 1 399.842 3.286 20 5 GGBDMN O=[N+]([O-])c1ccc(Nc2ccc(CC[NH+]3CCCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000738369540 1446832318 /nfs/dbraw/zinc/83/23/18/1446832318.db2.gz IDOIBATXJRELIM-UHFFFAOYSA-N 0 1 379.424 3.157 20 5 GGBDMN Cc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000826270612 1447188420 /nfs/dbraw/zinc/18/84/20/1447188420.db2.gz HLAKSUXWEVXFQN-GFCCVEGCSA-N 0 1 375.392 3.227 20 5 GGBDMN C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1F ZINC000824607001 1449290207 /nfs/dbraw/zinc/29/02/07/1449290207.db2.gz UYOVFXKHRXCRFN-SNVBAGLBSA-N 0 1 390.806 3.461 20 5 GGBDMN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000826499849 1449555970 /nfs/dbraw/zinc/55/59/70/1449555970.db2.gz AKRGXFUJSNYZPW-YJBOKZPZSA-N 0 1 378.436 3.276 20 5 GGBDMN CCOc1ccc([C@@H](C)[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)cc1[N+](=O)[O-] ZINC000825631893 1449615576 /nfs/dbraw/zinc/61/55/76/1449615576.db2.gz IHNXUTYLSVPOEB-LLVKDONJSA-N 0 1 386.387 3.164 20 5 GGBDMN CC(C)N(C)Cc1cnc2n1CCN(c1ncc([N+](=O)[O-])cc1Cl)[C@@H]2C ZINC001164854857 720925306 /nfs/dbraw/zinc/92/53/06/720925306.db2.gz GIFSJTJCVNLQHO-GFCCVEGCSA-N 0 1 378.864 3.261 20 5 GGBDMN CC(C)N(C)Cc1cnc2n1CCN(c1ncnc3ccc([N+](=O)[O-])cc31)[C@H]2C ZINC001164860449 720953733 /nfs/dbraw/zinc/95/37/33/720953733.db2.gz PUPKRULICZWQSC-AWEZNQCLSA-N 0 1 395.467 3.156 20 5 GGBDMN O=[N+]([O-])c1cccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164905492 721692163 /nfs/dbraw/zinc/69/21/63/721692163.db2.gz JOWBPULBEIFZCM-GOSISDBHSA-N 0 1 389.406 3.123 20 5 GGBDMN O=[N+]([O-])c1cccc2nc(N3CCN(CCOc4ccccc4)CC3)ccc21 ZINC001165044702 721955974 /nfs/dbraw/zinc/95/59/74/721955974.db2.gz OUMKRCSPFDMOTQ-UHFFFAOYSA-N 0 1 378.432 3.344 20 5 GGBDMN COc1nc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC001164993938 722195909 /nfs/dbraw/zinc/19/59/09/722195909.db2.gz JODRDARAHKHMKD-FQEVSTJZSA-N 0 1 386.427 3.382 20 5 GGBDMN Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000455642368 953514876 /nfs/dbraw/zinc/51/48/76/953514876.db2.gz LKGPYYOUDXVPQQ-LJQANCHMSA-N 0 1 385.420 3.380 20 5 GGBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)cc1OC ZINC000568074574 953641942 /nfs/dbraw/zinc/64/19/42/953641942.db2.gz MQRHOYOSBFBUAL-BFUOFWGJSA-N 0 1 380.441 3.325 20 5 GGBDMN O=C([O-])[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)c1ccc(F)cc1 ZINC001594844416 954121670 /nfs/dbraw/zinc/12/16/70/954121670.db2.gz ZTZXWJSMISZNBK-AWEZNQCLSA-N 0 1 383.173 3.412 20 5 GGBDMN C[C@]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)(C(=O)[O-])c1ccccc1 ZINC001589131524 956197793 /nfs/dbraw/zinc/19/77/93/956197793.db2.gz REBQWCSOIRHTQB-MRXNPFEDSA-N 0 1 379.210 3.447 20 5 GGBDMN CC[C@@]1(C(=O)[O-])CCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001603609639 973876339 /nfs/dbraw/zinc/87/63/39/973876339.db2.gz LOXBLIIDVWXWMP-APPDUMDISA-N 0 1 383.832 3.152 20 5 GGBDMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001603609639 973876347 /nfs/dbraw/zinc/87/63/47/973876347.db2.gz LOXBLIIDVWXWMP-APPDUMDISA-N 0 1 383.832 3.152 20 5 GGBDMN C[N@H+]1CCC[C@H](CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000517378796 974317534 /nfs/dbraw/zinc/31/75/34/974317534.db2.gz VMJCPKRSYBFJHD-IAQYHMDHSA-N 0 1 376.438 3.245 20 5 GGBDMN COc1ccc(OCC[N@H+]2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000518797725 974325059 /nfs/dbraw/zinc/32/50/59/974325059.db2.gz KFQAWNYNAHOAAC-IRXDYDNUSA-N 0 1 386.404 3.273 20 5 GGBDMN C[C@H]1C[C@@H](CCNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000520588585 974339246 /nfs/dbraw/zinc/33/92/46/974339246.db2.gz SQZAANPDAARFGE-GOEBONIOSA-N 0 1 384.436 3.401 20 5 GGBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000566292234 974603159 /nfs/dbraw/zinc/60/31/59/974603159.db2.gz ZTMBKUHELKXCBN-ZBFHGGJFSA-N 0 1 384.436 3.319 20 5 GGBDMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000566362633 974610870 /nfs/dbraw/zinc/61/08/70/974610870.db2.gz CAODNZMGCNJUAJ-QGZVFWFLSA-N 0 1 386.404 3.186 20 5 GGBDMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000566362633 974610874 /nfs/dbraw/zinc/61/08/74/974610874.db2.gz CAODNZMGCNJUAJ-QGZVFWFLSA-N 0 1 386.404 3.186 20 5 GGBDMN C[C@@H](C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1)C(=O)[O-] ZINC000572532964 974750103 /nfs/dbraw/zinc/75/01/03/974750103.db2.gz LOMRVICZDCPCEU-AWEZNQCLSA-N 0 1 396.403 3.368 20 5 GGBDMN O=C([O-])c1cnc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c([N+](=O)[O-])c1 ZINC000580716367 974898766 /nfs/dbraw/zinc/89/87/66/974898766.db2.gz DRRCLGGQGOUMAE-NRFANRHFSA-N 0 1 396.447 3.181 20 5 GGBDMN O=C([O-])c1cnc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c([N+](=O)[O-])c1 ZINC000580716370 974898793 /nfs/dbraw/zinc/89/87/93/974898793.db2.gz DRRCLGGQGOUMAE-OAQYLSRUSA-N 0 1 396.447 3.181 20 5 GGBDMN C[N@H+](Cc1ccccc1)CC1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000581827281 974915965 /nfs/dbraw/zinc/91/59/65/974915965.db2.gz LDVDDOXGQUSGRX-UHFFFAOYSA-N 0 1 384.436 3.036 20 5 GGBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000582362301 974925120 /nfs/dbraw/zinc/92/51/20/974925120.db2.gz DDGSAOJHRUPAOW-NRFANRHFSA-N 0 1 396.447 3.099 20 5 GGBDMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000583268828 974938554 /nfs/dbraw/zinc/93/85/54/974938554.db2.gz VTVVBYPBFKEFGZ-GFCCVEGCSA-N 0 1 386.248 3.453 20 5 GGBDMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000583268828 974938557 /nfs/dbraw/zinc/93/85/57/974938557.db2.gz VTVVBYPBFKEFGZ-GFCCVEGCSA-N 0 1 386.248 3.453 20 5 GGBDMN O=C([O-])CC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H]1CCCO1 ZINC000584356501 974954294 /nfs/dbraw/zinc/95/42/94/974954294.db2.gz PPPVZSWMCNRXRW-ZDUSSCGKSA-N 0 1 376.331 3.069 20 5 GGBDMN CCC[C@@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000592977227 974978533 /nfs/dbraw/zinc/97/85/33/974978533.db2.gz UPXCIWAJGXHSRD-QGZVFWFLSA-N 0 1 384.436 3.179 20 5 GGBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1 ZINC000593741918 974986195 /nfs/dbraw/zinc/98/61/95/974986195.db2.gz SUQMHZLMUAGKQR-GGPKGHCWSA-N 0 1 382.416 3.298 20 5 GGBDMN C[C@](CC(=O)[O-])([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1ccccn1 ZINC001592328379 977747983 /nfs/dbraw/zinc/74/79/83/977747983.db2.gz LGQHBXYPFMZCRL-MRXNPFEDSA-N 0 1 394.225 3.232 20 5 GGBDMN C[C@@](CC(=O)[O-])([NH2+]Cc1cccc([N+](=O)[O-])c1Br)c1cccnc1 ZINC001592329034 977752306 /nfs/dbraw/zinc/75/23/06/977752306.db2.gz QFAAMIPOZAZGSX-INIZCTEOSA-N 0 1 394.225 3.232 20 5 GGBDMN C[C@@](CC(=O)[O-])([NH2+]Cc1ccc([N+](=O)[O-])cc1Br)c1ccncc1 ZINC001592329329 977756251 /nfs/dbraw/zinc/75/62/51/977756251.db2.gz VVMXALVIXFSUEC-INIZCTEOSA-N 0 1 394.225 3.232 20 5 GGBDMN C[C@@H](C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccccc1)C(=O)[O-] ZINC001592604501 978543148 /nfs/dbraw/zinc/54/31/48/978543148.db2.gz DPQACMNJNVSYBO-AWEZNQCLSA-N 0 1 396.403 3.368 20 5 GGBDMN O=C([O-])/C=C\c1ccc(NCc2ccccc2C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000746994781 978686257 /nfs/dbraw/zinc/68/62/57/978686257.db2.gz OTFQLKVIIUUSRD-VURMDHGXSA-N 0 1 397.431 3.137 20 5 GGBDMN O=C([O-])Cc1ccc(N2CC[NH+](C/C=C\c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000844206955 979354837 /nfs/dbraw/zinc/35/48/37/979354837.db2.gz QVRBUCWVMGAEAT-DAXSKMNVSA-N 0 1 381.432 3.057 20 5 GGBDMN COc1cccc([C@@H](C)[NH+]2CCN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])CC2)c1 ZINC000844209464 979361887 /nfs/dbraw/zinc/36/18/87/979361887.db2.gz ULRWHHNXAORKHJ-OAHLLOKOSA-N 0 1 399.447 3.114 20 5 GGBDMN CO[C@@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC000902031714 980703179 /nfs/dbraw/zinc/70/31/79/980703179.db2.gz LFBQMHRQBZTIOE-XLIONFOSSA-N 0 1 399.447 3.427 20 5 GGBDMN CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001595482339 981206824 /nfs/dbraw/zinc/20/68/24/981206824.db2.gz HITIETYPVTXSDV-KRWDZBQOSA-N 0 1 399.447 3.289 20 5 GGBDMN CC[C@H]1CN(c2ccccc2)CC[N@@H+]1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001595492309 981253194 /nfs/dbraw/zinc/25/31/94/981253194.db2.gz LCVBQJQDWBFUGY-KRWDZBQOSA-N 0 1 399.447 3.159 20 5 GGBDMN CC[C@H]1CN(c2ccccc2)CC[N@H+]1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001595492309 981253197 /nfs/dbraw/zinc/25/31/97/981253197.db2.gz LCVBQJQDWBFUGY-KRWDZBQOSA-N 0 1 399.447 3.159 20 5 GGBDMN CC[C@](C)([NH2+]Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1nc(C)cs1 ZINC001594852596 982096253 /nfs/dbraw/zinc/09/62/53/982096253.db2.gz OJAMJRZHQYYYMC-KRWDZBQOSA-N 0 1 379.438 3.238 20 5 GGBDMN C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC001594543845 986195292 /nfs/dbraw/zinc/19/52/92/986195292.db2.gz BSTBAKOLFKDDBB-MRXNPFEDSA-N 0 1 383.448 3.247 20 5 GGBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC001589439020 986769753 /nfs/dbraw/zinc/76/97/53/986769753.db2.gz RQRLAXBCBMYJLN-RYUDHWBXSA-N 0 1 383.832 3.152 20 5 GGBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC001589439020 986769764 /nfs/dbraw/zinc/76/97/64/986769764.db2.gz RQRLAXBCBMYJLN-RYUDHWBXSA-N 0 1 383.832 3.152 20 5 GGBDMN C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@H](C(=O)[O-])O1 ZINC001599866792 989279703 /nfs/dbraw/zinc/27/97/03/989279703.db2.gz VFOFSKCQEDGJJD-HWPZZCPQSA-N 0 1 380.784 3.182 20 5 GGBDMN C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@H](C(=O)[O-])O1 ZINC001599866792 989279713 /nfs/dbraw/zinc/27/97/13/989279713.db2.gz VFOFSKCQEDGJJD-HWPZZCPQSA-N 0 1 380.784 3.182 20 5 GGBDMN CN(CC[N@@H+](C)C1CC1)c1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001598485831 992203819 /nfs/dbraw/zinc/20/38/19/992203819.db2.gz ZUIQYDORCPREMS-UHFFFAOYSA-N 0 1 397.431 3.054 20 5 GGBDMN C[N@@H+](CCc1ccccc1)[C@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001598502439 992452035 /nfs/dbraw/zinc/45/20/35/992452035.db2.gz VDMIRBAIBNSVJM-IBGZPJMESA-N 0 1 383.448 3.042 20 5 GGBDMN Cn1cc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001598513946 992597779 /nfs/dbraw/zinc/59/77/79/992597779.db2.gz LBHFNKARFFAAPB-UHFFFAOYSA-N 0 1 380.404 3.326 20 5 GGBDMN CC(C)[N@H+](CC(=O)N(C)c1ccccc1C(=O)[O-])Cc1ccc([N+](=O)[O-])cc1 ZINC001591561800 992766851 /nfs/dbraw/zinc/76/68/51/992766851.db2.gz BDUDCHXWTVQNNY-UHFFFAOYSA-N 0 1 385.420 3.166 20 5 GGBDMN CC(C)[N@@H+](CC(=O)N(C)c1ccccc1C(=O)[O-])Cc1ccc([N+](=O)[O-])cc1 ZINC001591561800 992766855 /nfs/dbraw/zinc/76/68/55/992766855.db2.gz BDUDCHXWTVQNNY-UHFFFAOYSA-N 0 1 385.420 3.166 20 5 GGBDMN C[N@@H+]1CCc2[nH]c3ccc(C(=O)Nc4cc(C(=O)[O-])cc([N+](=O)[O-])c4)cc3c2C1 ZINC001598626823 994110987 /nfs/dbraw/zinc/11/09/87/994110987.db2.gz QGTNOYBMGSHVGB-UHFFFAOYSA-N 0 1 394.387 3.015 20 5 GGBDMN C[N@H+]1CCc2[nH]c3ccc(C(=O)Nc4cc(C(=O)[O-])cc([N+](=O)[O-])c4)cc3c2C1 ZINC001598626823 994110992 /nfs/dbraw/zinc/11/09/92/994110992.db2.gz QGTNOYBMGSHVGB-UHFFFAOYSA-N 0 1 394.387 3.015 20 5 GGBDMN COc1cc(C[N@@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001599408102 997366389 /nfs/dbraw/zinc/36/63/89/997366389.db2.gz HJORPIYNNKCOHN-AWEZNQCLSA-N 0 1 385.420 3.012 20 5 GGBDMN COc1cc(C[N@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001599408102 997366403 /nfs/dbraw/zinc/36/64/03/997366403.db2.gz HJORPIYNNKCOHN-AWEZNQCLSA-N 0 1 385.420 3.012 20 5 GGBDMN COc1cc(Cl)c(C[NH2+][C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1OC ZINC001599418760 997557417 /nfs/dbraw/zinc/55/74/17/997557417.db2.gz NRGRGQOXELAHOY-GOSISDBHSA-N 0 1 394.811 3.355 20 5 GGBDMN COc1ccc([C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C(=O)[O-])cc1Cl ZINC001599532869 997690398 /nfs/dbraw/zinc/69/03/98/997690398.db2.gz VCTDMADELRHGTI-INIZCTEOSA-N 0 1 380.784 3.181 20 5 GGBDMN C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001594215269 998828958 /nfs/dbraw/zinc/82/89/58/998828958.db2.gz RELQANYZSKGTRJ-PWSUYJOCSA-N 0 1 376.331 3.221 20 5 GGBDMN C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001594215269 998828965 /nfs/dbraw/zinc/82/89/65/998828965.db2.gz RELQANYZSKGTRJ-PWSUYJOCSA-N 0 1 376.331 3.221 20 5 GGBDMN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594297403 999147208 /nfs/dbraw/zinc/14/72/08/999147208.db2.gz WXJACUKWTNBMJM-OCCSQVGLSA-N 0 1 378.425 3.235 20 5 GGBDMN C[C@@H]1CCCC[N@H+]1CCCCNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001594374868 999412507 /nfs/dbraw/zinc/41/25/07/999412507.db2.gz FVLIHIYMMPSJNJ-GFCCVEGCSA-N 0 1 380.401 3.268 20 5 GGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](c1cnn(C)c1)c1ccccc1 ZINC000359960955 209207388 /nfs/dbraw/zinc/20/73/88/209207388.db2.gz QIRZIJZVFOCGGQ-NRFANRHFSA-N 0 1 393.447 3.345 20 5 GGBDMN CCn1c2cc(Br)ccc2nc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000097032838 211356396 /nfs/dbraw/zinc/35/63/96/211356396.db2.gz LJLZWBNMXQXCQU-UHFFFAOYSA-N 0 1 389.209 3.401 20 5 GGBDMN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1(N2CCOCC2)CCCC1 ZINC000079064593 211155305 /nfs/dbraw/zinc/15/53/05/211155305.db2.gz OXHHZILPMNFPPW-CYBMUJFWSA-N 0 1 396.875 3.403 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(OCc3cscn3)c2)cc1 ZINC000058160232 210907235 /nfs/dbraw/zinc/90/72/35/210907235.db2.gz BSFVJLLGBFJIRN-UHFFFAOYSA-N 0 1 391.430 3.431 20 5 GGBDMN CC(=O)Nc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1Cl ZINC000032589657 564402333 /nfs/dbraw/zinc/40/23/33/564402333.db2.gz IBUUFWBXMBOWKJ-UHFFFAOYSA-N 0 1 383.813 3.316 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000123711802 564459701 /nfs/dbraw/zinc/45/97/01/564459701.db2.gz HJAIFYIJWHAGBR-GFCCVEGCSA-N 0 1 386.401 3.388 20 5 GGBDMN O=C(NCCc1ccc(Br)s1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000044653316 564471531 /nfs/dbraw/zinc/47/15/31/564471531.db2.gz SYYOWNDSULLZKN-UHFFFAOYSA-N 0 1 395.238 3.268 20 5 GGBDMN CC(C)C[C@H](CCO)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000124108204 564471593 /nfs/dbraw/zinc/47/15/93/564471593.db2.gz CXALSYNJRRCHAR-JTQLQIEISA-N 0 1 399.296 3.225 20 5 GGBDMN COc1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000124348466 564479958 /nfs/dbraw/zinc/47/99/58/564479958.db2.gz PEJFHECVUCSKPY-UHFFFAOYSA-N 0 1 387.211 3.167 20 5 GGBDMN O=C(NCc1ccc(Br)s1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000045456803 564484135 /nfs/dbraw/zinc/48/41/35/564484135.db2.gz XRQQJDXALUWILZ-UHFFFAOYSA-N 0 1 381.211 3.225 20 5 GGBDMN O=C(NCc1cc(Br)ccc1F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000045399714 564484317 /nfs/dbraw/zinc/48/43/17/564484317.db2.gz PGDWFTPPVYMLAP-UHFFFAOYSA-N 0 1 393.172 3.303 20 5 GGBDMN Cc1ccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(C)n1 ZINC000128696778 564626726 /nfs/dbraw/zinc/62/67/26/564626726.db2.gz PEZQQZDEZOOBDW-UHFFFAOYSA-N 0 1 386.227 3.170 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cccn2)cc1 ZINC000055633793 564627017 /nfs/dbraw/zinc/62/70/17/564627017.db2.gz BUHNIHFEOKGNTE-UHFFFAOYSA-N 0 1 378.797 3.235 20 5 GGBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000129350887 564646108 /nfs/dbraw/zinc/64/61/08/564646108.db2.gz ZFOPNUBCXQMIRQ-XWIASGKRSA-N 0 1 395.264 3.138 20 5 GGBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(-c2csnn2)cc1 ZINC000057120292 564660725 /nfs/dbraw/zinc/66/07/25/564660725.db2.gz PODSHEMNPYQUHZ-UHFFFAOYSA-N 0 1 376.419 3.223 20 5 GGBDMN C[C@@H](CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000057838149 564675401 /nfs/dbraw/zinc/67/54/01/564675401.db2.gz NGFAOJQOQMPUKE-JTQLQIEISA-N 0 1 380.798 3.315 20 5 GGBDMN COc1cc(CN(C)[C@H]2CCSC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000130552116 564686304 /nfs/dbraw/zinc/68/63/04/564686304.db2.gz QEAIFBKXXMSUSY-NSHDSACASA-N 0 1 380.388 3.482 20 5 GGBDMN Cc1c(Br)cc(S(=O)(=O)Nc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000134607027 564809118 /nfs/dbraw/zinc/80/91/18/564809118.db2.gz KACAPSVWDSGUJQ-UHFFFAOYSA-N 0 1 387.211 3.172 20 5 GGBDMN CCCc1[nH]nc(C(=O)N(C)Cc2ccccc2Br)c1[N+](=O)[O-] ZINC000068432604 564817923 /nfs/dbraw/zinc/81/79/23/564817923.db2.gz UOCSKJRGJLRBFW-UHFFFAOYSA-N 0 1 381.230 3.305 20 5 GGBDMN O=[N+]([O-])c1cc(CN[C@]2(CO)CCc3ccccc32)ccc1Br ZINC000135907018 564842722 /nfs/dbraw/zinc/84/27/22/564842722.db2.gz CRUFOHXRTUFSDG-KRWDZBQOSA-N 0 1 377.238 3.281 20 5 GGBDMN CCn1c2ccc(Br)cc2nc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000092107660 564875327 /nfs/dbraw/zinc/87/53/27/564875327.db2.gz SHRZGXVPTONPKG-UHFFFAOYSA-N 0 1 389.209 3.401 20 5 GGBDMN COc1ccc(F)cc1[C@@H](C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146869871 564882075 /nfs/dbraw/zinc/88/20/75/564882075.db2.gz HBKGGXBESVGTHA-SECBINFHSA-N 0 1 388.804 3.435 20 5 GGBDMN COc1ccc(Cl)cc1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146842269 564882114 /nfs/dbraw/zinc/88/21/14/564882114.db2.gz HUKYRLTWHZDKEM-UHFFFAOYSA-N 0 1 391.232 3.389 20 5 GGBDMN CC(=O)Nc1ccc(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c(Cl)c1 ZINC000103059644 564942207 /nfs/dbraw/zinc/94/22/07/564942207.db2.gz GJFXJRPWIKNTSO-UHFFFAOYSA-N 0 1 387.776 3.147 20 5 GGBDMN CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000106008699 564976146 /nfs/dbraw/zinc/97/61/46/564976146.db2.gz MEKAGHNPUOKNOF-UHFFFAOYSA-N 0 1 383.813 3.316 20 5 GGBDMN CC1(C)C[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000156386688 565084466 /nfs/dbraw/zinc/08/44/66/565084466.db2.gz KDPMCSYAMZSGPS-VIFPVBQESA-N 0 1 383.253 3.138 20 5 GGBDMN CN(C)[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccsc1 ZINC000267497318 565119216 /nfs/dbraw/zinc/11/92/16/565119216.db2.gz RHZQDZAPCNGPET-CQSZACIVSA-N 0 1 398.282 3.452 20 5 GGBDMN CN(C)[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccsc1 ZINC000267497315 565119278 /nfs/dbraw/zinc/11/92/78/565119278.db2.gz RHZQDZAPCNGPET-AWEZNQCLSA-N 0 1 398.282 3.452 20 5 GGBDMN CN(C)[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000184851609 565161240 /nfs/dbraw/zinc/16/12/40/565161240.db2.gz XRPVQEOONJHPBL-AWEZNQCLSA-N 0 1 382.873 3.412 20 5 GGBDMN CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1cccs1 ZINC000158638030 565175999 /nfs/dbraw/zinc/17/59/99/565175999.db2.gz TWGLXRWSWVMQDO-CYBMUJFWSA-N 0 1 398.282 3.452 20 5 GGBDMN O=C(N[C@H]1CCCc2cn[nH]c21)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269041821 565176690 /nfs/dbraw/zinc/17/66/90/565176690.db2.gz YNACWUDSGGHICY-JTQLQIEISA-N 0 1 383.177 3.027 20 5 GGBDMN O=[N+]([O-])c1cncc(Br)c1NC1CCN(Cc2ccccn2)CC1 ZINC000270370273 565216247 /nfs/dbraw/zinc/21/62/47/565216247.db2.gz MPFHOCNDNHWBCC-UHFFFAOYSA-N 0 1 392.257 3.224 20 5 GGBDMN Cc1c(C(F)(F)F)nn(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000185960575 565231507 /nfs/dbraw/zinc/23/15/07/565231507.db2.gz MBEPELHRNZJZMR-UHFFFAOYSA-N 0 1 398.750 3.110 20 5 GGBDMN CC(C)c1nc([C@@H](C)NC(=O)c2ccc(Br)cc2[N+](=O)[O-])n[nH]1 ZINC000271015990 565236368 /nfs/dbraw/zinc/23/63/68/565236368.db2.gz HHGLRBWOVSTDBJ-MRVPVSSYSA-N 0 1 382.218 3.090 20 5 GGBDMN CCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cnn1CC(C)C ZINC000160394544 565242418 /nfs/dbraw/zinc/24/24/18/565242418.db2.gz WPUXFFINZDAMRA-UHFFFAOYSA-N 0 1 386.861 3.464 20 5 GGBDMN Cc1nnc([C@H](C)NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)s1 ZINC000295105456 565245228 /nfs/dbraw/zinc/24/52/28/565245228.db2.gz HSAOYWHXWZPXAV-YFKPBYRVSA-N 0 1 397.265 3.101 20 5 GGBDMN CC(C)c1nc([C@H](C)NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000273166482 565310883 /nfs/dbraw/zinc/31/08/83/565310883.db2.gz BYLOMEYUTFFYJY-VIFPVBQESA-N 0 1 383.861 3.459 20 5 GGBDMN CCS(=O)(=O)c1c(Cl)cccc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000187206586 565315864 /nfs/dbraw/zinc/31/58/64/565315864.db2.gz AICCYIVPGCTVIF-UHFFFAOYSA-N 0 1 382.869 3.374 20 5 GGBDMN COc1c(F)cc(S(=O)(=O)Nc2ccc3ncsc3c2)cc1[N+](=O)[O-] ZINC000187279210 565320418 /nfs/dbraw/zinc/32/04/18/565320418.db2.gz HMSZUUJOJWLFLY-UHFFFAOYSA-N 0 1 383.382 3.153 20 5 GGBDMN Cc1cc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CC2)n[nH]1 ZINC000273650893 565328324 /nfs/dbraw/zinc/32/83/24/565328324.db2.gz UKGKBHYCADAZNY-UHFFFAOYSA-N 0 1 393.241 3.409 20 5 GGBDMN CCCc1[nH]nc(C(=O)N2Cc3cccc(Br)c3C2)c1[N+](=O)[O-] ZINC000187387868 565328467 /nfs/dbraw/zinc/32/84/67/565328467.db2.gz TUUWECFPKHAFKJ-UHFFFAOYSA-N 0 1 379.214 3.189 20 5 GGBDMN O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000188056257 565374945 /nfs/dbraw/zinc/37/49/45/565374945.db2.gz KLRAQJDMARCBDE-SNVBAGLBSA-N 0 1 384.223 3.024 20 5 GGBDMN CCS(=O)(=O)c1c(Cl)cccc1CNCCc1ccccc1[N+](=O)[O-] ZINC000274738312 565379419 /nfs/dbraw/zinc/37/94/19/565379419.db2.gz CICQJSZRJLWJNH-UHFFFAOYSA-N 0 1 382.869 3.374 20 5 GGBDMN O=[N+]([O-])c1ccccc1/C=C/CNCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000171051730 565405465 /nfs/dbraw/zinc/40/54/65/565405465.db2.gz KAEBEMRWLULKGV-HWKANZROSA-N 0 1 380.853 3.325 20 5 GGBDMN CC(C)c1nc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2Br)n[nH]1 ZINC000277247848 565484894 /nfs/dbraw/zinc/48/48/94/565484894.db2.gz JYCGZMZESKWZNJ-QMMMGPOBSA-N 0 1 382.218 3.090 20 5 GGBDMN CC(C)c1nc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2Br)n[nH]1 ZINC000277247842 565484949 /nfs/dbraw/zinc/48/49/49/565484949.db2.gz JYCGZMZESKWZNJ-MRVPVSSYSA-N 0 1 382.218 3.090 20 5 GGBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Br)n[nH]1 ZINC000277789238 565520690 /nfs/dbraw/zinc/52/06/90/565520690.db2.gz JTODSUWZEAFQOE-BDAKNGLRSA-N 0 1 396.245 3.480 20 5 GGBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Br)n[nH]1 ZINC000277789241 565520975 /nfs/dbraw/zinc/52/09/75/565520975.db2.gz JTODSUWZEAFQOE-DTWKUNHWSA-N 0 1 396.245 3.480 20 5 GGBDMN COc1cc(CN2CCSC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000190448830 565533377 /nfs/dbraw/zinc/53/33/77/565533377.db2.gz VLRLAQUAQSALKS-NSHDSACASA-N 0 1 376.425 3.432 20 5 GGBDMN Cc1csc([C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C2CC2)n1 ZINC000173469023 565559903 /nfs/dbraw/zinc/55/99/03/565559903.db2.gz IICPPARKCXBRPI-GFCCVEGCSA-N 0 1 387.870 3.443 20 5 GGBDMN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cncc(Br)c1 ZINC000317597646 565593834 /nfs/dbraw/zinc/59/38/34/565593834.db2.gz JUAQSSHAZGNNTD-UHFFFAOYSA-N 0 1 386.227 3.170 20 5 GGBDMN CS(=O)(=O)[C@H]1CCCC[C@@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279430464 565612306 /nfs/dbraw/zinc/61/23/06/565612306.db2.gz GOHFQEJHQMNQOY-KBPBESRZSA-N 0 1 380.388 3.059 20 5 GGBDMN Cc1[nH]nc(C(=O)N2CCC(c3cccc(Br)c3)CC2)c1[N+](=O)[O-] ZINC000282108720 565764652 /nfs/dbraw/zinc/76/46/52/565764652.db2.gz WSKJADHWIWUTNU-UHFFFAOYSA-N 0 1 393.241 3.409 20 5 GGBDMN COc1ccc(Br)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000176670723 565793171 /nfs/dbraw/zinc/79/31/71/565793171.db2.gz STEATXMMLQQEFR-UHFFFAOYSA-N 0 1 387.211 3.167 20 5 GGBDMN Cc1nc(NS(=O)(=O)Cc2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000194678213 565830266 /nfs/dbraw/zinc/83/02/66/565830266.db2.gz QJBRSNRUVYYHBR-UHFFFAOYSA-N 0 1 386.227 3.003 20 5 GGBDMN Cc1c(Br)cc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000332533190 565842438 /nfs/dbraw/zinc/84/24/38/565842438.db2.gz SWEVTBGIYIXMPM-BXUZGUMPSA-N 0 1 396.285 3.365 20 5 GGBDMN Cc1c(Br)cc(C(=O)N2C[C@H]3CCCCN3C[C@H]2C)cc1[N+](=O)[O-] ZINC000332533190 565842445 /nfs/dbraw/zinc/84/24/45/565842445.db2.gz SWEVTBGIYIXMPM-BXUZGUMPSA-N 0 1 396.285 3.365 20 5 GGBDMN Cc1c(Br)cc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000332533198 565843228 /nfs/dbraw/zinc/84/32/28/565843228.db2.gz SWEVTBGIYIXMPM-SMDDNHRTSA-N 0 1 396.285 3.365 20 5 GGBDMN Cc1c(Br)cc(C(=O)N2C[C@H]3CCCCN3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000332533198 565843233 /nfs/dbraw/zinc/84/32/33/565843233.db2.gz SWEVTBGIYIXMPM-SMDDNHRTSA-N 0 1 396.285 3.365 20 5 GGBDMN Cc1[nH]ncc1CCCNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000284180554 565845960 /nfs/dbraw/zinc/84/59/60/565845960.db2.gz GSDMMPSTHCUTBE-UHFFFAOYSA-N 0 1 381.230 3.060 20 5 GGBDMN O=C(NCc1sccc1Br)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000195087311 565858749 /nfs/dbraw/zinc/85/87/49/565858749.db2.gz CMLPKHSJMIVJQI-UHFFFAOYSA-N 0 1 381.211 3.225 20 5 GGBDMN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000285275613 565897696 /nfs/dbraw/zinc/89/76/96/565897696.db2.gz NAUYSOZXTCRROK-CYBMUJFWSA-N 0 1 379.214 3.196 20 5 GGBDMN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000285275617 565898071 /nfs/dbraw/zinc/89/80/71/565898071.db2.gz NAUYSOZXTCRROK-ZDUSSCGKSA-N 0 1 379.214 3.196 20 5 GGBDMN Cc1ccc([C@@H](C)NCc2ccc(S(N)(=O)=O)c(Cl)c2)cc1[N+](=O)[O-] ZINC000414368872 565916403 /nfs/dbraw/zinc/91/64/03/565916403.db2.gz SYOLCYVVWDJZDX-LLVKDONJSA-N 0 1 383.857 3.055 20 5 GGBDMN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Br)cc1F ZINC000285668168 565920584 /nfs/dbraw/zinc/92/05/84/565920584.db2.gz NFVVJNMAMIQYCM-JTQLQIEISA-N 0 1 384.205 3.009 20 5 GGBDMN COC(=O)c1cc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c(C)s1 ZINC000414456072 565936479 /nfs/dbraw/zinc/93/64/79/565936479.db2.gz GRMGKWZOURTJDQ-UHFFFAOYSA-N 0 1 384.435 3.169 20 5 GGBDMN COC(=O)c1cc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c(C)s1 ZINC000414463936 565937625 /nfs/dbraw/zinc/93/76/25/565937625.db2.gz SOPDETDIBOGVKC-UHFFFAOYSA-N 0 1 384.435 3.169 20 5 GGBDMN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)Cc1nnc[nH]1 ZINC000179794637 566008451 /nfs/dbraw/zinc/00/84/51/566008451.db2.gz AHAGLIRKKWBPNR-UHFFFAOYSA-N 0 1 392.213 3.367 20 5 GGBDMN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ncccc1Cl ZINC000180196214 566042215 /nfs/dbraw/zinc/04/22/15/566042215.db2.gz ULDPNOMOYGIRMY-UHFFFAOYSA-N 0 1 392.618 3.207 20 5 GGBDMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000416437685 566068784 /nfs/dbraw/zinc/06/87/84/566068784.db2.gz MXJMOEOYWFAMQZ-LLVKDONJSA-N 0 1 376.240 3.277 20 5 GGBDMN COC1CCC(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000416543931 566084819 /nfs/dbraw/zinc/08/48/19/566084819.db2.gz NWTAAQGTDOWCCV-UHFFFAOYSA-N 0 1 383.253 3.138 20 5 GGBDMN Cc1nc(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000180756324 566086499 /nfs/dbraw/zinc/08/64/99/566086499.db2.gz PVZUOONETORPJQ-UHFFFAOYSA-N 0 1 375.328 3.259 20 5 GGBDMN O=C([N-]C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000289391422 566119753 /nfs/dbraw/zinc/11/97/53/566119753.db2.gz DMKWXOJRLPUZRQ-JTQLQIEISA-N 0 1 379.766 3.139 20 5 GGBDMN O=C([N-]C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000289391422 566119756 /nfs/dbraw/zinc/11/97/56/566119756.db2.gz DMKWXOJRLPUZRQ-JTQLQIEISA-N 0 1 379.766 3.139 20 5 GGBDMN O=C(c1c(O)cc(Cl)cc1Cl)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365930629 566127495 /nfs/dbraw/zinc/12/74/95/566127495.db2.gz RILDJWSWLZLWGH-UHFFFAOYSA-N 0 1 385.207 3.281 20 5 GGBDMN O=C(NCCSCc1ccc(Cl)cc1Cl)c1n[nH]cc1[N+](=O)[O-] ZINC000182530373 566210649 /nfs/dbraw/zinc/21/06/49/566210649.db2.gz OISJNURLKWKITP-UHFFFAOYSA-N 0 1 375.237 3.288 20 5 GGBDMN COC[C@H](CCO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000265808895 566241814 /nfs/dbraw/zinc/24/18/14/566241814.db2.gz VKEFBZRACJPHAB-NSHDSACASA-N 0 1 399.241 3.104 20 5 GGBDMN COc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC000556080925 566269414 /nfs/dbraw/zinc/26/94/14/566269414.db2.gz MEKSHWFGTBPSDQ-UHFFFAOYSA-N 0 1 376.312 3.423 20 5 GGBDMN CCOc1ccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1Cl ZINC000556392617 566295625 /nfs/dbraw/zinc/29/56/25/566295625.db2.gz FTZXWHDXOYNXAX-UHFFFAOYSA-N 0 1 388.804 3.265 20 5 GGBDMN CCCCOCCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462472104 566309094 /nfs/dbraw/zinc/30/90/94/566309094.db2.gz WSKPOSSGDHZCEE-UHFFFAOYSA-N 0 1 385.269 3.387 20 5 GGBDMN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000576131864 566317375 /nfs/dbraw/zinc/31/73/75/566317375.db2.gz PVWFXCQBNKMSBY-SECBINFHSA-N 0 1 396.245 3.398 20 5 GGBDMN Cc1ccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cn1 ZINC000462527450 566317724 /nfs/dbraw/zinc/31/77/24/566317724.db2.gz RUSKNGXTWVYMEN-UHFFFAOYSA-N 0 1 376.221 3.084 20 5 GGBDMN O=[N+]([O-])c1cnn(CCN2CCC[C@H]2Cc2ccccc2Br)c1 ZINC000420959354 566330565 /nfs/dbraw/zinc/33/05/65/566330565.db2.gz FHSGRXFGGPARBA-AWEZNQCLSA-N 0 1 379.258 3.261 20 5 GGBDMN C[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cn1 ZINC000482961573 566346225 /nfs/dbraw/zinc/34/62/25/566346225.db2.gz NPYUCXHNRRXYBX-NSHDSACASA-N 0 1 393.241 3.432 20 5 GGBDMN O=C(Nc1cc(Cl)cc(Br)c1O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000483130407 566361405 /nfs/dbraw/zinc/36/14/05/566361405.db2.gz OLDVHGLIDIGONL-UHFFFAOYSA-N 0 1 388.561 3.069 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCO3)c(Br)c1 ZINC000446991476 566377174 /nfs/dbraw/zinc/37/71/74/566377174.db2.gz XJPQVUDOCGQXCT-UHFFFAOYSA-N 0 1 399.222 3.093 20 5 GGBDMN CCCN(CCN1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000510502182 566388209 /nfs/dbraw/zinc/38/82/09/566388209.db2.gz NWGOUQHKRJJBDE-UHFFFAOYSA-N 0 1 389.905 3.135 20 5 GGBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000536701557 566394268 /nfs/dbraw/zinc/39/42/68/566394268.db2.gz NSHLQARIAPJHCD-UHFFFAOYSA-N 0 1 386.813 3.204 20 5 GGBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2Cc2ccccc2Br)c1[N+](=O)[O-] ZINC000421915750 566417240 /nfs/dbraw/zinc/41/72/40/566417240.db2.gz INZIYCMVSTZARP-GFCCVEGCSA-N 0 1 393.241 3.236 20 5 GGBDMN COc1cc(Cl)c(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000447787714 566430729 /nfs/dbraw/zinc/43/07/29/566430729.db2.gz LLVRUVIQGLYMLI-UHFFFAOYSA-N 0 1 386.813 3.375 20 5 GGBDMN CCc1nnc(SCc2cc(I)cc([N+](=O)[O-])c2)[nH]1 ZINC000558461656 566474874 /nfs/dbraw/zinc/47/48/74/566474874.db2.gz CSQKJIWPQRZRMM-UHFFFAOYSA-N 0 1 390.206 3.172 20 5 GGBDMN CCc1n[nH]c(SCc2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000558461656 566474879 /nfs/dbraw/zinc/47/48/79/566474879.db2.gz CSQKJIWPQRZRMM-UHFFFAOYSA-N 0 1 390.206 3.172 20 5 GGBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H](CO)CC1CCCC1 ZINC000511184700 566443541 /nfs/dbraw/zinc/44/35/41/566443541.db2.gz FCYSXMAUZGNABU-LLVKDONJSA-N 0 1 397.280 3.121 20 5 GGBDMN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447899944 566445159 /nfs/dbraw/zinc/44/51/59/566445159.db2.gz YIOIWMNVBAPXHA-UHFFFAOYSA-N 0 1 376.312 3.445 20 5 GGBDMN Cc1cc(Br)c(O)c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000537597558 566455485 /nfs/dbraw/zinc/45/54/85/566455485.db2.gz YIKBYJAUYHVQHQ-UHFFFAOYSA-N 0 1 395.165 3.352 20 5 GGBDMN Cc1n[nH]c([C@H]2CCCN(Cc3cc(Br)c([N+](=O)[O-])s3)C2)n1 ZINC000602487098 566474364 /nfs/dbraw/zinc/47/43/64/566474364.db2.gz TVMGXARGTQCCRG-VIFPVBQESA-N 0 1 386.275 3.225 20 5 GGBDMN Cc1nnc([C@H]2CCCN(Cc3cc(Br)c([N+](=O)[O-])s3)C2)[nH]1 ZINC000602487098 566474368 /nfs/dbraw/zinc/47/43/68/566474368.db2.gz TVMGXARGTQCCRG-VIFPVBQESA-N 0 1 386.275 3.225 20 5 GGBDMN O=[N+]([O-])c1sc(CN[C@@H]2CCN(CC(F)(F)F)C2)cc1Br ZINC000602533066 566476619 /nfs/dbraw/zinc/47/66/19/566476619.db2.gz NLNFKNKMCXVZRA-SSDOTTSWSA-N 0 1 388.209 3.145 20 5 GGBDMN CS(=O)(=O)[C@H]1CCC[C@@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602557269 566477730 /nfs/dbraw/zinc/47/77/30/566477730.db2.gz OEPNOFWSFAUXOA-OLZOCXBDSA-N 0 1 380.388 3.059 20 5 GGBDMN CS(=O)(=O)[C@@H]1CCC[C@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602557271 566478322 /nfs/dbraw/zinc/47/83/22/566478322.db2.gz OEPNOFWSFAUXOA-QWHCGFSZSA-N 0 1 380.388 3.059 20 5 GGBDMN CN(CCNCc1cc(Br)c([N+](=O)[O-])s1)CC(F)(F)F ZINC000602548604 566478443 /nfs/dbraw/zinc/47/84/43/566478443.db2.gz NMHLLAFMJTTZGP-UHFFFAOYSA-N 0 1 376.198 3.003 20 5 GGBDMN Cc1c(Br)cc(C(=O)N[C@H]2CCCc3cn[nH]c32)cc1[N+](=O)[O-] ZINC000511643765 566479122 /nfs/dbraw/zinc/47/91/22/566479122.db2.gz FFIRRCLRAQXHFW-LBPRGKRZSA-N 0 1 379.214 3.196 20 5 GGBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1cnn2cc(Br)cnc12 ZINC000602649435 566483569 /nfs/dbraw/zinc/48/35/69/566483569.db2.gz HXNLOVNSSPFLCZ-UHFFFAOYSA-N 0 1 390.241 3.075 20 5 GGBDMN COc1ccc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000464551470 566484269 /nfs/dbraw/zinc/48/42/69/566484269.db2.gz CCYONNPQUAQRAG-UHFFFAOYSA-N 0 1 391.181 3.495 20 5 GGBDMN COc1cc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000464583175 566489175 /nfs/dbraw/zinc/48/91/75/566489175.db2.gz ZWUMRLVBYOUKQU-UHFFFAOYSA-N 0 1 391.181 3.495 20 5 GGBDMN Cc1nc(CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cs1 ZINC000512426170 566533873 /nfs/dbraw/zinc/53/38/73/566533873.db2.gz HIWXTFLGPBBOKZ-UHFFFAOYSA-N 0 1 396.277 3.188 20 5 GGBDMN COC(=O)c1cc(NS(=O)(=O)c2cccc(Cl)c2)c(C)c([N+](=O)[O-])c1 ZINC000486000108 566547492 /nfs/dbraw/zinc/54/74/92/566547492.db2.gz DIZYLFLOJDHAGW-UHFFFAOYSA-N 0 1 384.797 3.144 20 5 GGBDMN CCn1cc(S(=O)(=O)Nc2cc(C(F)F)ccc2Cl)c([N+](=O)[O-])n1 ZINC000559421053 566548361 /nfs/dbraw/zinc/54/83/61/566548361.db2.gz UJLOTPKVGMHDDV-UHFFFAOYSA-N 0 1 380.760 3.203 20 5 GGBDMN COc1cc(CN2CC[C@@H](SC)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000449446195 566561970 /nfs/dbraw/zinc/56/19/70/566561970.db2.gz ORCMTRPPOIJATP-LLVKDONJSA-N 0 1 380.388 3.482 20 5 GGBDMN Cc1[nH]nc(C(=O)N(Cc2cc(Br)ccc2F)C2CC2)c1[N+](=O)[O-] ZINC000604546659 566570726 /nfs/dbraw/zinc/57/07/26/566570726.db2.gz RCQGTBLMZYJPRH-UHFFFAOYSA-N 0 1 397.204 3.333 20 5 GGBDMN Cc1sc(S(=O)(=O)N(CCN(C)C)CC2CCCCC2)cc1[N+](=O)[O-] ZINC000467063735 566623143 /nfs/dbraw/zinc/62/31/43/566623143.db2.gz SJIWNYGQQHMSTD-UHFFFAOYSA-N 0 1 389.543 3.097 20 5 GGBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000486933110 566636487 /nfs/dbraw/zinc/63/64/87/566636487.db2.gz DTQQOBSUKDKYKT-JTQLQIEISA-N 0 1 395.264 3.282 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H]1SCCc2ccccc21 ZINC000487136980 566650947 /nfs/dbraw/zinc/65/09/47/566650947.db2.gz PFNDARJABYARIZ-HNNXBMFYSA-N 0 1 382.438 3.043 20 5 GGBDMN C[C@@]1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCCS1 ZINC000467758578 566662325 /nfs/dbraw/zinc/66/23/25/566662325.db2.gz OUAITSHOANXGGL-LBPRGKRZSA-N 0 1 385.294 3.466 20 5 GGBDMN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cccc(Br)c1O ZINC000560993512 566669126 /nfs/dbraw/zinc/66/91/26/566669126.db2.gz YSQYERJFRVIINI-UHFFFAOYSA-N 0 1 379.210 3.378 20 5 GGBDMN CCCN(CCN1CCCC1)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000561202361 566684725 /nfs/dbraw/zinc/68/47/25/566684725.db2.gz YRFLOIGFRMZCJA-UHFFFAOYSA-N 0 1 390.303 3.367 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCc3ccc(Cl)cc32)cc1 ZINC000580484677 566696684 /nfs/dbraw/zinc/69/66/84/566696684.db2.gz XPLQHANPCSOMQN-QGZVFWFLSA-N 0 1 380.853 3.299 20 5 GGBDMN O=C(Nc1ccc(Br)cc1O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000515205495 566697953 /nfs/dbraw/zinc/69/79/53/566697953.db2.gz DWTKQURPSDBBJN-UHFFFAOYSA-N 0 1 381.138 3.044 20 5 GGBDMN C[C@@H]1Oc2cc(F)ccc2[C@@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000561562447 566722165 /nfs/dbraw/zinc/72/21/65/566722165.db2.gz VFBGJCVCNUNWMU-RMLUDKJBSA-N 0 1 386.788 3.188 20 5 GGBDMN CCn1nc(C)c([N+](=O)[O-])c1NCc1nc2cccc(Br)c2[nH]1 ZINC000450946866 566723492 /nfs/dbraw/zinc/72/34/92/566723492.db2.gz MPHRQFFQIQZXCV-UHFFFAOYSA-N 0 1 379.218 3.371 20 5 GGBDMN CCn1c(C)nc([N+](=O)[O-])c1NCc1nc2cccc(Br)c2[nH]1 ZINC000450951844 566723787 /nfs/dbraw/zinc/72/37/87/566723787.db2.gz YWWHVIFDUVPJQC-UHFFFAOYSA-N 0 1 379.218 3.371 20 5 GGBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2cc(Cl)sc2Cl)c1 ZINC000515831903 566735813 /nfs/dbraw/zinc/73/58/13/566735813.db2.gz BBADMXIYAWVVHJ-LLVKDONJSA-N 0 1 377.249 3.493 20 5 GGBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2cc(Cl)sc2Cl)c1 ZINC000515831904 566736387 /nfs/dbraw/zinc/73/63/87/566736387.db2.gz BBADMXIYAWVVHJ-NSHDSACASA-N 0 1 377.249 3.493 20 5 GGBDMN Cc1c(Br)c(N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000488718523 566742615 /nfs/dbraw/zinc/74/26/15/566742615.db2.gz UYJUGJYTSOSWQE-NQBHXWOUSA-N 0 1 383.290 3.227 20 5 GGBDMN Cc1c(Br)c(N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000488718521 566743272 /nfs/dbraw/zinc/74/32/72/566743272.db2.gz UYJUGJYTSOSWQE-DMDPSCGWSA-N 0 1 383.290 3.227 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2cc3ccccc3s2)cc1 ZINC000541760026 566746171 /nfs/dbraw/zinc/74/61/71/566746171.db2.gz DJXGGUOVWVEGCC-UHFFFAOYSA-N 0 1 376.459 3.373 20 5 GGBDMN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1cc(F)ccc1F ZINC000609027190 566746269 /nfs/dbraw/zinc/74/62/69/566746269.db2.gz WKYVYRSJKCWBIS-UHFFFAOYSA-N 0 1 393.165 3.436 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC1(Sc2ccccc2)CC1 ZINC000609465732 566765230 /nfs/dbraw/zinc/76/52/30/566765230.db2.gz VGFGKBDABSXBCD-UHFFFAOYSA-N 0 1 382.438 3.337 20 5 GGBDMN O=C(NCc1cc2cc(Br)ccc2[nH]1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000469351045 566784357 /nfs/dbraw/zinc/78/43/57/566784357.db2.gz SMFSJCIDFOPHFU-UHFFFAOYSA-N 0 1 390.193 3.474 20 5 GGBDMN CO[C@@H](C)CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000610134148 566808877 /nfs/dbraw/zinc/80/88/77/566808877.db2.gz OEMGTOPPZVQIIS-NSHDSACASA-N 0 1 388.262 3.041 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2ccc(Cl)c(Cl)c2)cc1 ZINC000542696737 566818292 /nfs/dbraw/zinc/81/82/92/566818292.db2.gz ZSZHHLQNKRWGAR-UHFFFAOYSA-N 0 1 389.260 3.465 20 5 GGBDMN C[C@@H]1C[C@@H]1[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000610266513 566820371 /nfs/dbraw/zinc/82/03/71/566820371.db2.gz IFXBHMXIOPCHAX-RIEGTJTDSA-N 0 1 381.841 3.319 20 5 GGBDMN O=[N+]([O-])c1ccccc1OCCN[C@@H](CCO)c1ccccc1Br ZINC000542881576 566834604 /nfs/dbraw/zinc/83/46/04/566834604.db2.gz JUTWREPBFZOILY-HNNXBMFYSA-N 0 1 395.253 3.449 20 5 GGBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451569106 566842306 /nfs/dbraw/zinc/84/23/06/566842306.db2.gz NQNCNJZFGMVFPD-CQSZACIVSA-N 0 1 392.253 3.009 20 5 GGBDMN CC(C)OCCCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000543049022 566846722 /nfs/dbraw/zinc/84/67/22/566846722.db2.gz OSELSUJZWPWKMN-UHFFFAOYSA-N 0 1 385.269 3.385 20 5 GGBDMN C[C@@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c2ccccc2O1 ZINC000451710561 566867219 /nfs/dbraw/zinc/86/72/19/566867219.db2.gz ALDIPVXFZPALRP-ZWNOBZJWSA-N 0 1 382.825 3.439 20 5 GGBDMN Cc1ncsc1CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000451783769 566880907 /nfs/dbraw/zinc/88/09/07/566880907.db2.gz FHAFKIUDRMIHPD-UHFFFAOYSA-N 0 1 396.277 3.188 20 5 GGBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC000470719336 566897670 /nfs/dbraw/zinc/89/76/70/566897670.db2.gz FHOJPSFWVVVEGB-SNVBAGLBSA-N 0 1 385.207 3.227 20 5 GGBDMN O=C(Nc1nc(-c2cccs2)ns1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000543711142 566906195 /nfs/dbraw/zinc/90/61/95/566906195.db2.gz YWGVPWHBKGLWOC-UHFFFAOYSA-N 0 1 376.375 3.156 20 5 GGBDMN CCn1ccnc1[C@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000451927723 566909610 /nfs/dbraw/zinc/90/96/10/566909610.db2.gz LAXGFVOZRXEPSD-QMMMGPOBSA-N 0 1 393.252 3.158 20 5 GGBDMN CCC1(O)CCC(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000611314257 566909820 /nfs/dbraw/zinc/90/98/20/566909820.db2.gz HZLBJQNLTQSDFF-UHFFFAOYSA-N 0 1 397.280 3.264 20 5 GGBDMN C[C@@H]1C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c2nccn21 ZINC000451933436 566911265 /nfs/dbraw/zinc/91/12/65/566911265.db2.gz BMXCNYCPDLWNPT-XCBNKYQSSA-N 0 1 391.236 3.082 20 5 GGBDMN C[C@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c2nccn21 ZINC000451933435 566911589 /nfs/dbraw/zinc/91/15/89/566911589.db2.gz BMXCNYCPDLWNPT-OIBJUYFYSA-N 0 1 391.236 3.082 20 5 GGBDMN O=[N+]([O-])c1cccc(OCCN[C@H](CCO)c2ccccc2Br)c1 ZINC000543806977 566912751 /nfs/dbraw/zinc/91/27/51/566912751.db2.gz GYZSZBUXHQEYSE-QGZVFWFLSA-N 0 1 395.253 3.449 20 5 GGBDMN CCN(CCNc1ncc(Br)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000491832376 566917688 /nfs/dbraw/zinc/91/76/88/566917688.db2.gz PYZCTFITNLLQGL-UHFFFAOYSA-N 0 1 385.184 3.439 20 5 GGBDMN C[C@@H]1C[C@H](CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000544101927 566939342 /nfs/dbraw/zinc/93/93/42/566939342.db2.gz UUOWMVPEUVJPHG-NXEZZACHSA-N 0 1 397.280 3.385 20 5 GGBDMN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2nc3ccc(Cl)cc3[nH]2)s1 ZINC000611925035 566945061 /nfs/dbraw/zinc/94/50/61/566945061.db2.gz CVERVQRFOUXBOS-UHFFFAOYSA-N 0 1 386.842 3.202 20 5 GGBDMN COc1cc(Cl)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cc1OC ZINC000583792494 566984223 /nfs/dbraw/zinc/98/42/23/566984223.db2.gz ONQHKAAPYMQYDL-UHFFFAOYSA-N 0 1 386.813 3.375 20 5 GGBDMN Cc1cc(Br)ccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000471912104 566984613 /nfs/dbraw/zinc/98/46/13/566984613.db2.gz ULCSNWLSKXHMFK-UHFFFAOYSA-N 0 1 387.211 3.172 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCCSc1ccc(F)cc1 ZINC000520157137 566988418 /nfs/dbraw/zinc/98/84/18/566988418.db2.gz ZRWVDHVOWPJXRQ-UHFFFAOYSA-N 0 1 388.417 3.334 20 5 GGBDMN Cc1c(Br)c(=O)n(CCN(C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000612999292 567009201 /nfs/dbraw/zinc/00/92/01/567009201.db2.gz QSESFJIYDSBMMN-UHFFFAOYSA-N 0 1 398.232 3.099 20 5 GGBDMN CN(C)Cc1ccnc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000430637310 567025442 /nfs/dbraw/zinc/02/54/42/567025442.db2.gz CJYBOCNBKSHCJW-UHFFFAOYSA-N 0 1 379.214 3.066 20 5 GGBDMN Cc1c(NC(=O)c2ccc(I)c(O)c2)cccc1[N+](=O)[O-] ZINC000545462730 567052041 /nfs/dbraw/zinc/05/20/41/567052041.db2.gz LTYFZPYLJAOACK-UHFFFAOYSA-N 0 1 398.156 3.466 20 5 GGBDMN CN(C)[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccsc1 ZINC000431503995 567085898 /nfs/dbraw/zinc/08/58/98/567085898.db2.gz DCXDRKKMVIMADP-AWEZNQCLSA-N 0 1 398.282 3.452 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCc3c2cccc3Cl)cc1 ZINC000565677862 567090041 /nfs/dbraw/zinc/09/00/41/567090041.db2.gz KZBRIVFXUWVRJH-KRWDZBQOSA-N 0 1 380.853 3.299 20 5 GGBDMN O=[N+]([O-])c1ccn(CCN2CC=C(c3cccc(Br)c3)CC2)n1 ZINC000546589514 567141361 /nfs/dbraw/zinc/14/13/61/567141361.db2.gz XMWGHZRZNADTHZ-UHFFFAOYSA-N 0 1 377.242 3.343 20 5 GGBDMN CCN1C[C@@H](C)N(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000588996295 567149680 /nfs/dbraw/zinc/14/96/80/567149680.db2.gz XEESMFBLHQJVPY-GHMZBOCLSA-N 0 1 384.274 3.220 20 5 GGBDMN CCOC[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000474399175 567168701 /nfs/dbraw/zinc/16/87/01/567168701.db2.gz XWAWUCMZOGJAOX-NSHDSACASA-N 0 1 385.269 3.241 20 5 GGBDMN CCN1C[C@@H](C)N(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000498550688 567185969 /nfs/dbraw/zinc/18/59/69/567185969.db2.gz QSUOGXCFBJJIRI-WDEREUQCSA-N 0 1 384.274 3.220 20 5 GGBDMN O=[N+]([O-])c1ccc(OCCN[C@H](CCO)c2ccccc2Br)cc1 ZINC000567303609 567234633 /nfs/dbraw/zinc/23/46/33/567234633.db2.gz ZHTJOKJJWHLHDO-QGZVFWFLSA-N 0 1 395.253 3.449 20 5 GGBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Br)cc1O ZINC000525687799 567257958 /nfs/dbraw/zinc/25/79/58/567257958.db2.gz WLFJFWOSLUGWRE-UHFFFAOYSA-N 0 1 387.211 3.172 20 5 GGBDMN CCN1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)[C@@H](C)C1 ZINC000567787410 567277148 /nfs/dbraw/zinc/27/71/48/567277148.db2.gz XUHXXCIFQZIMEF-QWRGUYRKSA-N 0 1 384.274 3.220 20 5 GGBDMN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2ccc(F)c(Br)c2)c1 ZINC000475834541 567280799 /nfs/dbraw/zinc/28/07/99/567280799.db2.gz ZYFRRCNQNHXYAH-UHFFFAOYSA-N 0 1 393.165 3.436 20 5 GGBDMN Cc1cc(Br)ccc1NC(=O)CNCc1cccc([N+](=O)[O-])c1 ZINC000500091982 567298818 /nfs/dbraw/zinc/29/88/18/567298818.db2.gz NAQOWQKOCJKPFI-UHFFFAOYSA-N 0 1 378.226 3.394 20 5 GGBDMN CC(C)[C@H](NCc1ccc(Br)cc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000591845592 567302516 /nfs/dbraw/zinc/30/25/16/567302516.db2.gz QJRUSUFFVUMKBN-HNNXBMFYSA-N 0 1 384.274 3.094 20 5 GGBDMN CSc1ccc([C@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000500247885 567309503 /nfs/dbraw/zinc/30/95/03/567309503.db2.gz ZQSUSWWUEKBPTR-ZDUSSCGKSA-N 0 1 380.491 3.441 20 5 GGBDMN CC[N@@H+]1CCc2nc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])sc2C1 ZINC000592747460 567360695 /nfs/dbraw/zinc/36/06/95/567360695.db2.gz AUEBVSJIXIWIFM-UHFFFAOYSA-N 0 1 382.829 3.041 20 5 GGBDMN CC[N@H+]1CCc2nc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])sc2C1 ZINC000592747460 567360698 /nfs/dbraw/zinc/36/06/98/567360698.db2.gz AUEBVSJIXIWIFM-UHFFFAOYSA-N 0 1 382.829 3.041 20 5 GGBDMN CN(CCOCC1CC1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000568935085 567367963 /nfs/dbraw/zinc/36/79/63/567367963.db2.gz GHUAZARWVCGHEV-UHFFFAOYSA-N 0 1 390.221 3.058 20 5 GGBDMN CC[C@@H](C)N1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 ZINC000456519112 567387980 /nfs/dbraw/zinc/38/79/80/567387980.db2.gz IIPGRNRZPUNVNX-LLVKDONJSA-N 0 1 384.274 3.222 20 5 GGBDMN Cc1c(Br)cc(C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1[N+](=O)[O-] ZINC000477328945 567390142 /nfs/dbraw/zinc/39/01/42/567390142.db2.gz ZSXPCHUSAXKMLL-VIFPVBQESA-N 0 1 396.245 3.398 20 5 GGBDMN COC[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000436178270 567412141 /nfs/dbraw/zinc/41/21/41/567412141.db2.gz LVIDCKKQOKENEX-ZDUSSCGKSA-N 0 1 388.804 3.053 20 5 GGBDMN CC(C)N1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000502106528 567420102 /nfs/dbraw/zinc/42/01/02/567420102.db2.gz CJJCXLLSGQRZKU-UHFFFAOYSA-N 0 1 379.258 3.436 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2c2ccc(Br)cn2)c1[N+](=O)[O-] ZINC000457329204 567457617 /nfs/dbraw/zinc/45/76/17/567457617.db2.gz OALPOFMZXCGVGU-LBPRGKRZSA-N 0 1 394.229 3.015 20 5 GGBDMN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1sc(Br)cc1[N+](=O)[O-] ZINC000594195783 567465525 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HQWJIUUDLYGWNF-UHFFFAOYSA-N 0 1 397.460 3.209 20 5 GGBDMN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccco1)N1CCCCC1 ZINC000047609279 1404879062 /nfs/dbraw/zinc/87/90/62/1404879062.db2.gz MVBIUCJEPNHXKL-KRWDZBQOSA-N 0 1 387.436 3.300 20 5 GGBDMN COc1ccc([C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 ZINC000047650423 1404886192 /nfs/dbraw/zinc/88/61/92/1404886192.db2.gz ZYPHSVNWPYWKAE-NRFANRHFSA-N 0 1 397.475 3.489 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000048039636 1405030549 /nfs/dbraw/zinc/03/05/49/1405030549.db2.gz SVGUZAZYOZZILY-MRXNPFEDSA-N 0 1 376.388 3.167 20 5 GGBDMN CN(C)c1cccc([C@@H]2CCCN2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000173475818 1426649277 /nfs/dbraw/zinc/64/92/77/1426649277.db2.gz PRWRNMKJSMBKBX-FQEVSTJZSA-N 0 1 382.464 3.461 20 5 GGBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2n[nH]c(C)n2)cc1 ZINC000050534938 1405598547 /nfs/dbraw/zinc/59/85/47/1405598547.db2.gz MCRJGRMXUBPIIV-UHFFFAOYSA-N 0 1 387.421 3.052 20 5 GGBDMN 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1407524948 /nfs/dbraw/zinc/52/49/48/1407524948.db2.gz RAIQKWWYMCQXLR-UHFFFAOYSA-N 0 1 397.840 3.189 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000057704642 1407693153 /nfs/dbraw/zinc/69/31/53/1407693153.db2.gz SYYXVQMBYYUIJC-GOSISDBHSA-N 0 1 389.477 3.019 20 5 GGBDMN Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000057704702 1407693800 /nfs/dbraw/zinc/69/38/00/1407693800.db2.gz HDXPJILFJPDZAL-IBGZPJMESA-N 0 1 389.477 3.019 20 5 GGBDMN COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2NC(C)=O)cc1[N+](=O)[O-] ZINC000058495351 1407836923 /nfs/dbraw/zinc/83/69/23/1407836923.db2.gz ZIVAFIHCZXDDFF-UHFFFAOYSA-N 0 1 399.812 3.016 20 5 GGBDMN Cc1ccc(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000058760357 1407876351 /nfs/dbraw/zinc/87/63/51/1407876351.db2.gz IGGKYTCBFSQGHV-IRXDYDNUSA-N 0 1 397.475 3.442 20 5 GGBDMN Cc1ccc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000058760352 1407876428 /nfs/dbraw/zinc/87/64/28/1407876428.db2.gz IGGKYTCBFSQGHV-CALCHBBNSA-N 0 1 397.475 3.442 20 5 GGBDMN O=C(N[C@H]1CCN(C2CC2)C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000060470223 1407985062 /nfs/dbraw/zinc/98/50/62/1407985062.db2.gz LVHSTHKECMHDML-KRWDZBQOSA-N 0 1 380.448 3.173 20 5 GGBDMN O=C(CSc1nc(-c2cccnc2)n[nH]1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000060530294 1407996654 /nfs/dbraw/zinc/99/66/54/1407996654.db2.gz UCCHEFFPPAKYIR-UHFFFAOYSA-N 0 1 390.812 3.159 20 5 GGBDMN Cc1cc(NC[C@@H](C(C)C)N2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060858697 1408043262 /nfs/dbraw/zinc/04/32/62/1408043262.db2.gz QJZRABAADNWQFX-SFHVURJKSA-N 0 1 385.468 3.129 20 5 GGBDMN CCN(CC)[C@H](CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000060950230 1408055121 /nfs/dbraw/zinc/05/51/21/1408055121.db2.gz OUIPWCVTPUACQK-LJQANCHMSA-N 0 1 391.493 3.265 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000061286287 1408101662 /nfs/dbraw/zinc/10/16/62/1408101662.db2.gz GMTJCGSLGOGZAI-UHFFFAOYSA-N 0 1 387.461 3.405 20 5 GGBDMN Nc1c(C(=O)Nc2cccc(CN3CCSCC3)c2)cc(F)cc1[N+](=O)[O-] ZINC000061571473 1408149127 /nfs/dbraw/zinc/14/91/27/1408149127.db2.gz XDOQCVBPUCGTHC-UHFFFAOYSA-N 0 1 390.440 3.117 20 5 GGBDMN C[C@@H]1CN(C(=O)c2ccc(CNCc3ccc([N+](=O)[O-])cc3)cc2)C[C@@H](C)O1 ZINC000063561155 1408372496 /nfs/dbraw/zinc/37/24/96/1408372496.db2.gz XLBGPIGJQQFAPG-HZPDHXFCSA-N 0 1 383.448 3.134 20 5 GGBDMN CCCN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000063678877 1408390419 /nfs/dbraw/zinc/39/04/19/1408390419.db2.gz WHQIOYZKRLIKGR-UHFFFAOYSA-N 0 1 391.449 3.186 20 5 GGBDMN CN(CCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000064113544 1408486670 /nfs/dbraw/zinc/48/66/70/1408486670.db2.gz UQALGEGVQLBMRG-UHFFFAOYSA-N 0 1 393.447 3.103 20 5 GGBDMN CC(=O)c1cccc(OC[C@H](O)CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000065512374 1408681973 /nfs/dbraw/zinc/68/19/73/1408681973.db2.gz MVUQSBHEENNWRB-HXUWFJFHSA-N 0 1 386.448 3.448 20 5 GGBDMN O=C(NC1CCCCC1)NC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065536312 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SVGMGSGIDDPUFG-MRXNPFEDSA-N 0 1 388.405 3.123 20 5 GGBDMN CCCNC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)cc1 ZINC000067124032 1409013804 /nfs/dbraw/zinc/01/38/04/1409013804.db2.gz JJGMDYONPLFXMF-UHFFFAOYSA-N 0 1 391.449 3.098 20 5 GGBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccc(N)c([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000067158804 1409027099 /nfs/dbraw/zinc/02/70/99/1409027099.db2.gz HTBFUXOZCWNJOF-CQSZACIVSA-N 0 1 379.420 3.382 20 5 GGBDMN CCN(CC)[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccco1 ZINC000067275314 1409061254 /nfs/dbraw/zinc/06/12/54/1409061254.db2.gz YDEMZSAICQZRIN-SFHVURJKSA-N 0 1 397.435 3.186 20 5 GGBDMN CCN(CC)[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000067276543 1409061286 /nfs/dbraw/zinc/06/12/86/1409061286.db2.gz NDQJVODTTNNUHG-INIZCTEOSA-N 0 1 377.466 3.479 20 5 GGBDMN CN(C)[C@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccccc1 ZINC000067382958 1409095707 /nfs/dbraw/zinc/09/57/07/1409095707.db2.gz MQYYINGUHIPUDP-LJQANCHMSA-N 0 1 393.447 3.274 20 5 GGBDMN COc1cc(C)c([C@@H](C)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000067452356 1409122695 /nfs/dbraw/zinc/12/26/95/1409122695.db2.gz YLXJGMKYFALFHX-KDOFPFPSSA-N 0 1 399.447 3.377 20 5 GGBDMN CCOc1ccc([C@@H](C)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000067452303 1409122940 /nfs/dbraw/zinc/12/29/40/1409122940.db2.gz BDFNTWAAXLCOCK-RDTXWAMCSA-N 0 1 399.447 3.458 20 5 GGBDMN CC[C@H](CNC(=O)c1cc(OC)ccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000067547778 1409155789 /nfs/dbraw/zinc/15/57/89/1409155789.db2.gz GQMMRDLBUCMMIM-QGZVFWFLSA-N 0 1 383.448 3.170 20 5 GGBDMN CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)c1ccco1 ZINC000067593558 1409179551 /nfs/dbraw/zinc/17/95/51/1409179551.db2.gz JYGDXLPZHHTIHH-INIZCTEOSA-N 0 1 390.396 3.217 20 5 GGBDMN COc1ccccc1[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000067725827 1409215604 /nfs/dbraw/zinc/21/56/04/1409215604.db2.gz DVJOGZSHIIQOOO-LJQANCHMSA-N 0 1 398.463 3.240 20 5 GGBDMN COc1ccc(CC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1[N+](=O)[O-] ZINC000067791977 1409232018 /nfs/dbraw/zinc/23/20/18/1409232018.db2.gz KFSCSDBUELCAHN-QGZVFWFLSA-N 0 1 387.436 3.082 20 5 GGBDMN C[C@H]1CN(C(=O)c2ccc(CNCc3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000067979115 1409269186 /nfs/dbraw/zinc/26/91/86/1409269186.db2.gz MYEXMJLZFHJGMK-HOTGVXAUSA-N 0 1 383.448 3.134 20 5 GGBDMN C[C@@H]1CN(C(=O)c2ccc(CNCc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000067979291 1409269251 /nfs/dbraw/zinc/26/92/51/1409269251.db2.gz XLBGPIGJQQFAPG-IYBDPMFKSA-N 0 1 383.448 3.134 20 5 GGBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C)ccc1NC(C)=O ZINC000068077092 1409293826 /nfs/dbraw/zinc/29/38/26/1409293826.db2.gz WLHMFBYJOWSXHF-UHFFFAOYSA-N 0 1 377.422 3.225 20 5 GGBDMN CC(=O)Nc1ccc(C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000068077371 1409293981 /nfs/dbraw/zinc/29/39/81/1409293981.db2.gz MQRYNVKKAMZTPT-UHFFFAOYSA-N 0 1 377.422 3.279 20 5 GGBDMN CN(C)[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(F)cc1 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1414553353 /nfs/dbraw/zinc/55/33/53/1414553353.db2.gz INKLUCKVTNMELI-MRXNPFEDSA-N 0 1 376.388 3.167 20 5 GGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000122865850 1414583735 /nfs/dbraw/zinc/58/37/35/1414583735.db2.gz OZHNHEUNFLOEHB-MRXNPFEDSA-N 0 1 376.388 3.167 20 5 GGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000123076425 1414635061 /nfs/dbraw/zinc/63/50/61/1414635061.db2.gz OPXPPQSNSWJJKB-UHFFFAOYSA-N 0 1 399.451 3.308 20 5 GGBDMN CC(C)(C)Oc1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000123118346 1414646197 /nfs/dbraw/zinc/64/61/97/1414646197.db2.gz HUGSOEGQZJPQFO-UHFFFAOYSA-N 0 1 386.330 3.444 20 5 GGBDMN CC(=O)NC1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000123246225 1414677256 /nfs/dbraw/zinc/67/72/56/1414677256.db2.gz NUOUEBNUTAUNTH-UHFFFAOYSA-N 0 1 382.464 3.463 20 5 GGBDMN Cc1c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cnn1CCC(C)C ZINC000123679096 1414808580 /nfs/dbraw/zinc/80/85/80/1414808580.db2.gz AFIHPWNGEMFWJN-UHFFFAOYSA-N 0 1 383.412 3.183 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1csc(-c2ccccc2)n1 ZINC000123692075 1414810596 /nfs/dbraw/zinc/81/05/96/1414810596.db2.gz QCTLQXVOHJZDMJ-UHFFFAOYSA-N 0 1 393.421 3.336 20 5 GGBDMN CCCOCc1ccccc1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000123733445 1414817702 /nfs/dbraw/zinc/81/77/02/1414817702.db2.gz OCIBFNLMTAXMNB-UHFFFAOYSA-N 0 1 382.413 3.139 20 5 GGBDMN O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000123798141 1414825744 /nfs/dbraw/zinc/82/57/44/1414825744.db2.gz APYWRUIELMFADK-UHFFFAOYSA-N 0 1 389.839 3.302 20 5 GGBDMN O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000123798141 1414825746 /nfs/dbraw/zinc/82/57/46/1414825746.db2.gz APYWRUIELMFADK-UHFFFAOYSA-N 0 1 389.839 3.302 20 5 GGBDMN Cc1ccc(Br)c(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000123877789 1414841169 /nfs/dbraw/zinc/84/11/69/1414841169.db2.gz LTBSZQCMUFYASI-UHFFFAOYSA-N 0 1 386.227 3.049 20 5 GGBDMN COc1ccc(CN2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)cc1[N+](=O)[O-] ZINC000177742498 1428847682 /nfs/dbraw/zinc/84/76/82/1428847682.db2.gz HSPDSUHRXGPQSF-INIZCTEOSA-N 0 1 384.436 3.158 20 5 GGBDMN COc1ccc(CN2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)cc1[N+](=O)[O-] ZINC000177742484 1428847880 /nfs/dbraw/zinc/84/78/80/1428847880.db2.gz HSPDSUHRXGPQSF-MRXNPFEDSA-N 0 1 384.436 3.158 20 5 GGBDMN CCN(CC)[C@@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])c1ccccc1 ZINC000124284294 1414929541 /nfs/dbraw/zinc/92/95/41/1414929541.db2.gz BREXXIZIAUKXAH-KRWDZBQOSA-N 0 1 391.493 3.493 20 5 GGBDMN Cc1cc(Cl)c(S(=O)(=O)N(CCN(C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000124396832 1414957137 /nfs/dbraw/zinc/95/71/37/1414957137.db2.gz AIUSGQDOAHGTDI-UHFFFAOYSA-N 0 1 389.905 3.052 20 5 GGBDMN O=[N+]([O-])c1ccc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826498636 1428855837 /nfs/dbraw/zinc/85/58/37/1428855837.db2.gz DDBXAASINULDAB-KRWDZBQOSA-N 0 1 379.424 3.024 20 5 GGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000124777413 1415041968 /nfs/dbraw/zinc/04/19/68/1415041968.db2.gz AKRNMTLMKPTFTE-AWEZNQCLSA-N 0 1 386.795 3.418 20 5 GGBDMN COc1cccc([C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)N(C)C)c1 ZINC000124814555 1415050831 /nfs/dbraw/zinc/05/08/31/1415050831.db2.gz ZLGYQSIPDHEAAI-FQEVSTJZSA-N 0 1 396.447 3.046 20 5 GGBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2ncon2)cc1 ZINC000177825607 1428865751 /nfs/dbraw/zinc/86/57/51/1428865751.db2.gz GSHOITIDFYAZGB-UHFFFAOYSA-N 0 1 394.796 3.407 20 5 GGBDMN COCCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccc(C)o1 ZINC000125063219 1415102403 /nfs/dbraw/zinc/10/24/03/1415102403.db2.gz YKQKVCPIJUPQNY-UHFFFAOYSA-N 0 1 375.425 3.282 20 5 GGBDMN COCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc(C)o1 ZINC000125330248 1415166484 /nfs/dbraw/zinc/16/64/84/1415166484.db2.gz JVAZUHGOLWIAFU-UHFFFAOYSA-N 0 1 375.425 3.282 20 5 GGBDMN O=C(Nc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccoc1 ZINC000125593096 1415233535 /nfs/dbraw/zinc/23/35/35/1415233535.db2.gz ALIIBFMUZOBWCJ-UHFFFAOYSA-N 0 1 387.373 3.241 20 5 GGBDMN Cc1c(C(=O)NC[C@H](c2cccs2)N(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000125767693 1415274948 /nfs/dbraw/zinc/27/49/48/1415274948.db2.gz XWVHOGPHERURCT-CQSZACIVSA-N 0 1 392.437 3.214 20 5 GGBDMN O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccc(CN2CCSCC2)cc1 ZINC000125949128 1415319760 /nfs/dbraw/zinc/31/97/60/1415319760.db2.gz PLIDDNDBIXUUMJ-UHFFFAOYSA-N 0 1 385.489 3.116 20 5 GGBDMN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1ccc2nc(C3CCCCC3)[nH]c2c1 ZINC000127216854 1415689876 /nfs/dbraw/zinc/68/98/76/1415689876.db2.gz OLPXLQIGHQEMPX-UHFFFAOYSA-N 0 1 395.419 3.319 20 5 GGBDMN CCO[C@H]1C[C@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCCC2 ZINC000127384346 1415760349 /nfs/dbraw/zinc/76/03/49/1415760349.db2.gz WOOVIQQUQFRIOK-ROUUACIJSA-N 0 1 375.469 3.253 20 5 GGBDMN CCO[C@@H]1C[C@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCCC2 ZINC000127384099 1415760430 /nfs/dbraw/zinc/76/04/30/1415760430.db2.gz WOOVIQQUQFRIOK-ZWKOTPCHSA-N 0 1 375.469 3.253 20 5 GGBDMN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000128272463 1415952429 /nfs/dbraw/zinc/95/24/29/1415952429.db2.gz SOOIQTMTUOVHDY-UHFFFAOYSA-N 0 1 389.375 3.033 20 5 GGBDMN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000128272463 1415952434 /nfs/dbraw/zinc/95/24/34/1415952434.db2.gz SOOIQTMTUOVHDY-UHFFFAOYSA-N 0 1 389.375 3.033 20 5 GGBDMN CN1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](c2ccccc2)C1 ZINC000129497146 1416218810 /nfs/dbraw/zinc/21/88/10/1416218810.db2.gz SANMXDHIEGXQFN-IBGZPJMESA-N 0 1 386.427 3.051 20 5 GGBDMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000129839439 1416272228 /nfs/dbraw/zinc/27/22/28/1416272228.db2.gz SBRNUQKVHOJHQP-UHFFFAOYSA-N 0 1 375.375 3.267 20 5 GGBDMN COC(=O)C[C@@H]1CSCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000130099577 1416318148 /nfs/dbraw/zinc/31/81/48/1416318148.db2.gz GXPQSWCFLAQQNU-OAHLLOKOSA-N 0 1 376.434 3.335 20 5 GGBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000130401543 1416371586 /nfs/dbraw/zinc/37/15/86/1416371586.db2.gz YYCMBACMNBPKPU-UHFFFAOYSA-N 0 1 389.748 3.405 20 5 GGBDMN CCC[C@@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178501310 1429091730 /nfs/dbraw/zinc/09/17/30/1429091730.db2.gz QTOKXCLAGLZQJC-LJQANCHMSA-N 0 1 391.493 3.476 20 5 GGBDMN O=[N+]([O-])c1ccc(OC2CCN(Cc3c[nH]nc3-c3cccnc3)CC2)cc1 ZINC000130739525 1416439449 /nfs/dbraw/zinc/43/94/49/1416439449.db2.gz FXDKCYSESASDFN-UHFFFAOYSA-N 0 1 379.420 3.423 20 5 GGBDMN Cn1cc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(-c2ccncc2)n1 ZINC000130740832 1416439489 /nfs/dbraw/zinc/43/94/89/1416439489.db2.gz HZRHSUDQUOSXNC-UHFFFAOYSA-N 0 1 393.447 3.434 20 5 GGBDMN O=C(Cc1csc(-c2ccoc2)n1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000131072537 1416504738 /nfs/dbraw/zinc/50/47/38/1416504738.db2.gz KUUVFUSESFMHOX-UHFFFAOYSA-N 0 1 396.388 3.278 20 5 GGBDMN O=C(NCCN1CCCCC1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000131101310 1416509120 /nfs/dbraw/zinc/50/91/20/1416509120.db2.gz OTVPATJYXCIXHN-UHFFFAOYSA-N 0 1 390.665 3.226 20 5 GGBDMN O=C1NCCCN1C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000131106114 1416509436 /nfs/dbraw/zinc/50/94/36/1416509436.db2.gz NZQGJHZNGQAKJE-UHFFFAOYSA-N 0 1 384.436 3.235 20 5 GGBDMN Cc1ccc(-c2n[nH]c(SCC(=O)NCc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000178593580 1429116675 /nfs/dbraw/zinc/11/66/75/1429116675.db2.gz TVBLJDFKWRFEDK-UHFFFAOYSA-N 0 1 383.433 3.097 20 5 GGBDMN COc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000131976418 1416664502 /nfs/dbraw/zinc/66/45/02/1416664502.db2.gz JHCXXAAOHAVBQS-INIZCTEOSA-N 0 1 383.448 3.340 20 5 GGBDMN Cc1nnc(-c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)o1 ZINC000132320880 1416735728 /nfs/dbraw/zinc/73/57/28/1416735728.db2.gz FMDUCICBNVZHIF-UHFFFAOYSA-N 0 1 392.368 3.202 20 5 GGBDMN COc1ccccc1[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])N1CCCC1 ZINC000132367915 1416746858 /nfs/dbraw/zinc/74/68/58/1416746858.db2.gz JPCDKKFXYHQHNB-SFHVURJKSA-N 0 1 387.411 3.309 20 5 GGBDMN CC(C)NS(=O)(=O)Cc1ccccc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178640601 1429126906 /nfs/dbraw/zinc/12/69/06/1429126906.db2.gz XJLYDGDNYNFNCK-OAHLLOKOSA-N 0 1 391.493 3.273 20 5 GGBDMN C[C@H]1CN(Cc2ccccc2)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000132517421 1416776755 /nfs/dbraw/zinc/77/67/55/1416776755.db2.gz RNTSOWGEUJBUPC-INIZCTEOSA-N 0 1 393.447 3.351 20 5 GGBDMN C[C@@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178646238 1429128670 /nfs/dbraw/zinc/12/86/70/1429128670.db2.gz MGFWCEZWUUXAFH-OAHLLOKOSA-N 0 1 389.477 3.230 20 5 GGBDMN C[C@@H](NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178650547 1429129079 /nfs/dbraw/zinc/12/90/79/1429129079.db2.gz VBVLXKOBYFKPDB-FOIQADDNSA-N 0 1 383.448 3.354 20 5 GGBDMN CCCCNC(=O)C1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCCCC1 ZINC000132813775 1416818280 /nfs/dbraw/zinc/81/82/80/1416818280.db2.gz ONXMWLPJYVNRPX-UHFFFAOYSA-N 0 1 390.484 3.051 20 5 GGBDMN COc1cc(OC)cc(N2CC[C@@H](N[C@H](C)c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000178661426 1429132030 /nfs/dbraw/zinc/13/20/30/1429132030.db2.gz PXJOEXIBOYRXKK-BFUOFWGJSA-N 0 1 385.420 3.068 20 5 GGBDMN CCOC(=O)c1ccnc(NC[C@@H](c2ccco2)N2CCCCC2)c1[N+](=O)[O-] ZINC000133137214 1416855843 /nfs/dbraw/zinc/85/58/43/1416855843.db2.gz IIIFJUXKOCZWPR-HNNXBMFYSA-N 0 1 388.424 3.399 20 5 GGBDMN COC(=O)c1ccc(CNC(=O)[C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178679491 1429138982 /nfs/dbraw/zinc/13/89/82/1429138982.db2.gz FNKQUOKOANDBIS-LSDHHAIUSA-N 0 1 399.447 3.045 20 5 GGBDMN COc1ccc(OC(F)F)c(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000133361305 1416882383 /nfs/dbraw/zinc/88/23/83/1416882383.db2.gz VHDSTWHAQBDYGU-UHFFFAOYSA-N 0 1 392.318 3.011 20 5 GGBDMN COc1cc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1S(C)(=O)=O ZINC000178685324 1429141041 /nfs/dbraw/zinc/14/10/41/1429141041.db2.gz KXOOCGGAJKDDSR-CHWSQXEVSA-N 0 1 378.450 3.419 20 5 GGBDMN Cc1ccc([C@H](C)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1[N+](=O)[O-] ZINC000178687397 1429141537 /nfs/dbraw/zinc/14/15/37/1429141537.db2.gz SFXWYWNYPUGJQT-SUMWQHHRSA-N 0 1 384.392 3.268 20 5 GGBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)NC(=O)Nc2ccccc2F)cc1[N+](=O)[O-] ZINC000178688142 1429141968 /nfs/dbraw/zinc/14/19/68/1429141968.db2.gz GJZBBYZFPLJJGE-CHWSQXEVSA-N 0 1 388.399 3.430 20 5 GGBDMN Cc1c([C@@H](C)NCc2ccc(S(=O)(=O)N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000133847297 1416977348 /nfs/dbraw/zinc/97/73/48/1416977348.db2.gz HDPDZSJLCUGMRL-CQSZACIVSA-N 0 1 377.466 3.004 20 5 GGBDMN COc1cccc([C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)N(C)C)c1 ZINC000134520948 1417080698 /nfs/dbraw/zinc/08/06/98/1417080698.db2.gz DDOVUQVJSDCLBL-QGZVFWFLSA-N 0 1 377.828 3.290 20 5 GGBDMN CC(C)OC(=O)c1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000135194275 1417185781 /nfs/dbraw/zinc/18/57/81/1417185781.db2.gz LAAKVPQDPPUTPX-QGZVFWFLSA-N 0 1 384.436 3.241 20 5 GGBDMN Cc1ccc(S(=O)(=O)Nc2ccc(SC(F)F)nc2)cc1[N+](=O)[O-] ZINC000135247602 1417196069 /nfs/dbraw/zinc/19/60/69/1417196069.db2.gz DGCIJZZDYPYUJB-UHFFFAOYSA-N 0 1 375.378 3.414 20 5 GGBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178777960 1429167782 /nfs/dbraw/zinc/16/77/82/1429167782.db2.gz IMDLZQDYVYFPFG-OAHLLOKOSA-N 0 1 383.452 3.015 20 5 GGBDMN CCc1ccc(C(=O)Nc2ccccc2CN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000135618755 1417247902 /nfs/dbraw/zinc/24/79/02/1417247902.db2.gz QNGYBVVKZWLXBQ-UHFFFAOYSA-N 0 1 383.448 3.366 20 5 GGBDMN CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000135668587 1417255752 /nfs/dbraw/zinc/25/57/52/1417255752.db2.gz OUDRHYIDFIHEQN-UHFFFAOYSA-N 0 1 391.449 3.186 20 5 GGBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2cccc(-c3nnco3)c2)cc1[N+](=O)[O-] ZINC000135953013 1417281432 /nfs/dbraw/zinc/28/14/32/1417281432.db2.gz WLIWQRGYCDYKIH-UHFFFAOYSA-N 0 1 394.796 3.407 20 5 GGBDMN COc1cccc([C@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])N(C)C)c1 ZINC000136165489 1417296644 /nfs/dbraw/zinc/29/66/44/1417296644.db2.gz CFYXOTACLVGUIN-INIZCTEOSA-N 0 1 377.828 3.290 20 5 GGBDMN COc1cccc([C@@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])N(C)C)c1 ZINC000136165529 1417297031 /nfs/dbraw/zinc/29/70/31/1417297031.db2.gz CFYXOTACLVGUIN-MRXNPFEDSA-N 0 1 377.828 3.290 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1ccc([S@@](C)=O)cc1 ZINC000178798458 1429173768 /nfs/dbraw/zinc/17/37/68/1429173768.db2.gz RTZNXTJCFPHLCZ-HHHXNRCGSA-N 0 1 389.477 3.101 20 5 GGBDMN COc1cc([C@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])ccc1OCCC(C)C ZINC000136531718 1417323986 /nfs/dbraw/zinc/32/39/86/1417323986.db2.gz VLVHDYMGTPIHMB-LBPRGKRZSA-N 0 1 376.413 3.242 20 5 GGBDMN O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)c1n[nH]cc1[N+](=O)[O-] ZINC000136533989 1417324747 /nfs/dbraw/zinc/32/47/47/1417324747.db2.gz WPHSTCFOLAGSIG-UHFFFAOYSA-N 0 1 375.348 3.022 20 5 GGBDMN Cc1c(NC(=O)CCN(C)Cc2ccc([S@@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000178805255 1429175615 /nfs/dbraw/zinc/17/56/15/1429175615.db2.gz MTAJDWKKFHCBFI-HHHXNRCGSA-N 0 1 389.477 3.101 20 5 GGBDMN O=[N+]([O-])c1ccc2nc(NCCN3CCN(c4ccccc4)CC3)ccc2c1 ZINC000136735326 1417341844 /nfs/dbraw/zinc/34/18/44/1417341844.db2.gz FMSMFWKHVKLMFL-UHFFFAOYSA-N 0 1 377.448 3.377 20 5 GGBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000136897827 1417353761 /nfs/dbraw/zinc/35/37/61/1417353761.db2.gz KIPHGEHIQBLARA-HXUWFJFHSA-N 0 1 389.883 3.490 20 5 GGBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000136897827 1417353774 /nfs/dbraw/zinc/35/37/74/1417353774.db2.gz KIPHGEHIQBLARA-HXUWFJFHSA-N 0 1 389.883 3.490 20 5 GGBDMN Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000137846630 1417397402 /nfs/dbraw/zinc/39/74/02/1417397402.db2.gz QXIYMNNYLDFJQH-CXAGYDPISA-N 0 1 398.419 3.204 20 5 GGBDMN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCN(C2CCCC2)CC1 ZINC000138425475 1417414194 /nfs/dbraw/zinc/41/41/94/1417414194.db2.gz PDTYGOLXWWRLBT-CYBMUJFWSA-N 0 1 381.860 3.102 20 5 GGBDMN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000141405843 1417537164 /nfs/dbraw/zinc/53/71/64/1417537164.db2.gz VLICZMCJDPOAKQ-KRWDZBQOSA-N 0 1 382.376 3.340 20 5 GGBDMN COc1cc(C(=O)Nc2nnc(C(F)F)s2)c([N+](=O)[O-])cc1OC(F)F ZINC000144549153 1417664460 /nfs/dbraw/zinc/66/44/60/1417664460.db2.gz RAMGJHBULWGRAZ-UHFFFAOYSA-N 0 1 396.278 3.246 20 5 GGBDMN O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000150981327 1417848772 /nfs/dbraw/zinc/84/87/72/1417848772.db2.gz SJMHLBDFVSIUNS-OALUTQOASA-N 0 1 395.459 3.427 20 5 GGBDMN O=C(NC[C@@H](c1ccco1)N1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000151011888 1417855290 /nfs/dbraw/zinc/85/52/90/1417855290.db2.gz UVIIPKTYJNOYJQ-SFHVURJKSA-N 0 1 384.436 3.093 20 5 GGBDMN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1cccc(CN2CCSCC2)c1 ZINC000151121390 1417876745 /nfs/dbraw/zinc/87/67/45/1417876745.db2.gz CVKOLNTZKMTUBR-UHFFFAOYSA-N 0 1 389.452 3.464 20 5 GGBDMN O=[N+]([O-])c1cnn(CCNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 ZINC000151279880 1417912955 /nfs/dbraw/zinc/91/29/55/1417912955.db2.gz VVSRUQGPEMIFBK-UHFFFAOYSA-N 0 1 391.771 3.403 20 5 GGBDMN CC[C@@](C)(NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nccs1 ZINC000151486644 1417997371 /nfs/dbraw/zinc/99/73/71/1417997371.db2.gz ZMGFNAASCSVURW-CYBMUJFWSA-N 0 1 375.859 3.308 20 5 GGBDMN CC[C@](C)(NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nccs1 ZINC000151486571 1417997769 /nfs/dbraw/zinc/99/77/69/1417997769.db2.gz ZMGFNAASCSVURW-ZDUSSCGKSA-N 0 1 375.859 3.308 20 5 GGBDMN Cc1ccc([C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)N2CCCC2)o1 ZINC000151497932 1418004055 /nfs/dbraw/zinc/00/40/55/1418004055.db2.gz QYETVZQYGQWHHX-QGZVFWFLSA-N 0 1 375.400 3.131 20 5 GGBDMN Cc1ccc(S(=O)(=O)N(CCN2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000151674314 1418057146 /nfs/dbraw/zinc/05/71/46/1418057146.db2.gz SIHGGZOQDCSJAO-UHFFFAOYSA-N 0 1 389.477 3.194 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000178991603 1429236526 /nfs/dbraw/zinc/23/65/26/1429236526.db2.gz SHFSGKIUZRJVJT-CQSZACIVSA-N 0 1 399.451 3.346 20 5 GGBDMN Cc1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2)cc([N+](=O)[O-])c1F ZINC000179123567 1429269941 /nfs/dbraw/zinc/26/99/41/1429269941.db2.gz PDGJZSYPXXBDHO-UHFFFAOYSA-N 0 1 379.291 3.257 20 5 GGBDMN O=[N+]([O-])c1ccc(C[N@@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)C2CC2)cc1 ZINC000826498276 1429297919 /nfs/dbraw/zinc/29/79/19/1429297919.db2.gz OBRDKTSESAUFGC-UHFFFAOYSA-N 0 1 389.419 3.192 20 5 GGBDMN CSc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1[N+](=O)[O-] ZINC000179334932 1429332803 /nfs/dbraw/zinc/33/28/03/1429332803.db2.gz HKXSWQCMXPCAIH-ZDUSSCGKSA-N 0 1 387.465 3.332 20 5 GGBDMN C[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000824611556 1429332378 /nfs/dbraw/zinc/33/23/78/1429332378.db2.gz BAKQIWMMHXOJPX-JTQLQIEISA-N 0 1 390.350 3.227 20 5 GGBDMN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179367604 1429346958 /nfs/dbraw/zinc/34/69/58/1429346958.db2.gz FNMAEMDQRDFRNE-AWEZNQCLSA-N 0 1 396.451 3.184 20 5 GGBDMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179529556 1429411309 /nfs/dbraw/zinc/41/13/09/1429411309.db2.gz LDLVSIVDEKISAT-QGZVFWFLSA-N 0 1 383.448 3.285 20 5 GGBDMN COc1cc(C)c([C@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000179629137 1429479354 /nfs/dbraw/zinc/47/93/54/1429479354.db2.gz KQIVNHBQTCYVLK-AWEZNQCLSA-N 0 1 387.436 3.234 20 5 GGBDMN COc1cc(C)c([C@@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000179626825 1429477507 /nfs/dbraw/zinc/47/75/07/1429477507.db2.gz IVVUWOXCVIUYSJ-CQSZACIVSA-N 0 1 399.447 3.160 20 5 GGBDMN COc1cc(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)ccc1[N+](=O)[O-] ZINC000826179124 1429486253 /nfs/dbraw/zinc/48/62/53/1429486253.db2.gz AAHZPFAWZKJHIE-UHFFFAOYSA-N 0 1 382.424 3.194 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179647354 1429488560 /nfs/dbraw/zinc/48/85/60/1429488560.db2.gz YYWYOCUERYQNJA-AWEZNQCLSA-N 0 1 399.447 3.112 20 5 GGBDMN CN(C(=O)CN[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000179741802 1429532085 /nfs/dbraw/zinc/53/20/85/1429532085.db2.gz LCTMBSYNKZQAJV-OAQYLSRUSA-N 0 1 397.431 3.070 20 5 GGBDMN COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)N(C)C)c1 ZINC000152532292 1422133629 /nfs/dbraw/zinc/13/36/29/1422133629.db2.gz XDXQTRLJWMAITD-KRWDZBQOSA-N 0 1 377.828 3.290 20 5 GGBDMN O=C(N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1n[nH]cc1[N+](=O)[O-] ZINC000152647480 1422187182 /nfs/dbraw/zinc/18/71/82/1422187182.db2.gz SSXMRKVOTZJPPZ-NSHDSACASA-N 0 1 387.396 3.388 20 5 GGBDMN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3ccc([N+](=O)[O-])cc3C)cc21 ZINC000152659649 1422194019 /nfs/dbraw/zinc/19/40/19/1422194019.db2.gz XIKZRFGEJBAGAO-UHFFFAOYSA-N 0 1 389.433 3.003 20 5 GGBDMN CC(C)(CO)[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000152669658 1422202190 /nfs/dbraw/zinc/20/21/90/1422202190.db2.gz RHOLNPJHJHOZOP-INIZCTEOSA-N 0 1 382.420 3.003 20 5 GGBDMN C[C@@H]1C[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])CC[N@H+]1Cc1ccccc1 ZINC000152923256 1422297634 /nfs/dbraw/zinc/29/76/34/1422297634.db2.gz KLUHWKJMGRRPQE-NVXWUHKLSA-N 0 1 383.448 3.426 20 5 GGBDMN O=[N+]([O-])c1cccc(CN(C[C@@H](O)COc2cccc3[nH]ccc32)C2CC2)c1 ZINC000153322177 1422468969 /nfs/dbraw/zinc/46/89/69/1422468969.db2.gz KEGUWYACRQCIAT-GOSISDBHSA-N 0 1 381.432 3.480 20 5 GGBDMN O=C(N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1n[nH]cc1[N+](=O)[O-] ZINC000153443560 1422539652 /nfs/dbraw/zinc/53/96/52/1422539652.db2.gz LSZIZVOSGVBMEE-GOSISDBHSA-N 0 1 378.388 3.162 20 5 GGBDMN O=C(N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1n[nH]cc1[N+](=O)[O-] ZINC000153443455 1422539705 /nfs/dbraw/zinc/53/97/05/1422539705.db2.gz LSZIZVOSGVBMEE-SFHVURJKSA-N 0 1 378.388 3.162 20 5 GGBDMN CN(C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000153600445 1422641062 /nfs/dbraw/zinc/64/10/62/1422641062.db2.gz AJRRIWANIZNPAY-GFCCVEGCSA-N 0 1 391.415 3.258 20 5 GGBDMN CN(C)[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1cccc(F)c1 ZINC000153726632 1422724814 /nfs/dbraw/zinc/72/48/14/1422724814.db2.gz PZPNVRYBUUZKQB-IBGZPJMESA-N 0 1 386.427 3.105 20 5 GGBDMN Cc1cccc(C)c1OC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000153763875 1422742869 /nfs/dbraw/zinc/74/28/69/1422742869.db2.gz SRFCXSQMXNEPEL-INIZCTEOSA-N 0 1 380.404 3.485 20 5 GGBDMN CCOCc1cc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1OC ZINC000179818178 1429590582 /nfs/dbraw/zinc/59/05/82/1429590582.db2.gz VXFRAXOCRNBYAX-KRWDZBQOSA-N 0 1 386.452 3.221 20 5 GGBDMN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H](C)N[C@H](C)C2)cc1 ZINC000154217539 1422856776 /nfs/dbraw/zinc/85/67/76/1422856776.db2.gz SPAGXPSBJMQZQL-ZIAGYGMSSA-N 0 1 385.420 3.218 20 5 GGBDMN CN(C)Cc1ccc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1F ZINC000154588609 1422946759 /nfs/dbraw/zinc/94/67/59/1422946759.db2.gz KUJSWPCJCZSGCM-UHFFFAOYSA-N 0 1 386.427 3.300 20 5 GGBDMN Cc1ccc([C@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)N2CCCC2)o1 ZINC000154818428 1423044173 /nfs/dbraw/zinc/04/41/73/1423044173.db2.gz FLSSZRFOEIYMEY-IBGZPJMESA-N 0 1 398.463 3.401 20 5 GGBDMN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(C2CCCCC2)CC1 ZINC000154871915 1423062059 /nfs/dbraw/zinc/06/20/59/1423062059.db2.gz DKPZTJLADHALSG-UHFFFAOYSA-N 0 1 386.496 3.286 20 5 GGBDMN O=[N+]([O-])c1cnn(CN2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 ZINC000155174153 1423212750 /nfs/dbraw/zinc/21/27/50/1423212750.db2.gz XPFQDUXOVPMYCV-UHFFFAOYSA-N 0 1 375.432 3.136 20 5 GGBDMN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCN(C2CCCC2)CC1 ZINC000155227171 1423258136 /nfs/dbraw/zinc/25/81/36/1423258136.db2.gz AFXOHDPBYXOKHD-UHFFFAOYSA-N 0 1 397.273 3.449 20 5 GGBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000155515430 1423395802 /nfs/dbraw/zinc/39/58/02/1423395802.db2.gz SSTGJVKEDQSCCV-OAHLLOKOSA-N 0 1 397.479 3.011 20 5 GGBDMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000155528059 1423401283 /nfs/dbraw/zinc/40/12/83/1423401283.db2.gz MURNDVMRYPZKJY-UHFFFAOYSA-N 0 1 386.408 3.255 20 5 GGBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)C(C)(C)n4cc([N+](=O)[O-])cn4)C3)[nH]c2c1 ZINC000155748959 1423516219 /nfs/dbraw/zinc/51/62/19/1423516219.db2.gz ILINWAOPOVRMGV-AWEZNQCLSA-N 0 1 396.451 3.117 20 5 GGBDMN COc1cc(CN(C[C@@H]2CCOC2)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179924826 1429643621 /nfs/dbraw/zinc/64/36/21/1429643621.db2.gz ZQCVWSMBHCBFSC-LBPRGKRZSA-N 0 1 386.395 3.248 20 5 GGBDMN O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000156059067 1423655292 /nfs/dbraw/zinc/65/52/92/1423655292.db2.gz RKGWAQDAGFFBHB-FZKQIMNGSA-N 0 1 380.404 3.369 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000156244571 1423740298 /nfs/dbraw/zinc/74/02/98/1423740298.db2.gz TVGCWHPUXMPPSW-UHFFFAOYSA-N 0 1 397.412 3.447 20 5 GGBDMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000156558585 1423828116 /nfs/dbraw/zinc/82/81/16/1423828116.db2.gz VQCXDJIJTMKVBS-UHFFFAOYSA-N 0 1 379.351 3.131 20 5 GGBDMN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(F)c1 ZINC000180010619 1429689610 /nfs/dbraw/zinc/68/96/10/1429689610.db2.gz UCVZZQOHZGVDKY-OAHLLOKOSA-N 0 1 397.353 3.368 20 5 GGBDMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000826168320 1424072780 /nfs/dbraw/zinc/07/27/80/1424072780.db2.gz JLYWWELZHGLTKI-UHFFFAOYSA-N 0 1 382.424 3.194 20 5 GGBDMN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000826168320 1424072785 /nfs/dbraw/zinc/07/27/85/1424072785.db2.gz JLYWWELZHGLTKI-UHFFFAOYSA-N 0 1 382.424 3.194 20 5 GGBDMN CCN(CC(C)(C)O)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000158151754 1424180108 /nfs/dbraw/zinc/18/01/08/1424180108.db2.gz BHAMQXUGXVMXOY-GFCCVEGCSA-N 0 1 392.481 3.138 20 5 GGBDMN CO[C@@H]1CC[C@H]2OCCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C1 ZINC000158292176 1424218860 /nfs/dbraw/zinc/21/88/60/1424218860.db2.gz ODBMIAQUXYWRET-KZNAEPCWSA-N 0 1 387.436 3.061 20 5 GGBDMN Cc1ccc(C)c(N2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000158319034 1424225186 /nfs/dbraw/zinc/22/51/86/1424225186.db2.gz ALCXKKOEHTTYAW-UHFFFAOYSA-N 0 1 379.420 3.050 20 5 GGBDMN O=C(CCN1CCO[C@@]2(CCc3ccccc32)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000158709768 1424324339 /nfs/dbraw/zinc/32/43/39/1424324339.db2.gz ZENGYOSDZXZTFV-NRFANRHFSA-N 0 1 381.432 3.097 20 5 GGBDMN COc1ccc(S(=O)(=O)Nc2c(F)cccc2NC(C)C)c([N+](=O)[O-])c1 ZINC000158878686 1424362171 /nfs/dbraw/zinc/36/21/71/1424362171.db2.gz SMWBQWWOEKUPMO-UHFFFAOYSA-N 0 1 383.401 3.364 20 5 GGBDMN COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)N2CCCC2)c1 ZINC000159098034 1424416506 /nfs/dbraw/zinc/41/65/06/1424416506.db2.gz TVJAQYOCRFNTPI-LJQANCHMSA-N 0 1 399.447 3.179 20 5 GGBDMN COC(=O)c1cccc2nc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)[nH]c21 ZINC000159306980 1424479898 /nfs/dbraw/zinc/47/98/98/1424479898.db2.gz UFCHBJVTAWROPJ-UHFFFAOYSA-N 0 1 388.767 3.092 20 5 GGBDMN CC(C)c1ccc(CN2CCCC[C@H]2CCNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000159422786 1424501486 /nfs/dbraw/zinc/50/14/86/1424501486.db2.gz WQEIJENPEQHDTF-INIZCTEOSA-N 0 1 383.514 3.012 20 5 GGBDMN C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000159450659 1424503587 /nfs/dbraw/zinc/50/35/87/1424503587.db2.gz UMCUYCVGQDQSDZ-OAHLLOKOSA-N 0 1 375.469 3.417 20 5 GGBDMN CCN(C[C@@H](O)c1ccc(C)cc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000159931782 1424553838 /nfs/dbraw/zinc/55/38/38/1424553838.db2.gz STILKUFTWCYCDI-WOJBJXKFSA-N 0 1 383.448 3.064 20 5 GGBDMN C[C@@H]1CN(C[C@@H]2CCCN2c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H](C)O1 ZINC000160485757 1424607411 /nfs/dbraw/zinc/60/74/11/1424607411.db2.gz NXHUUNSONJRQEG-GUTXKFCHSA-N 0 1 385.411 3.274 20 5 GGBDMN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000160595436 1424617621 /nfs/dbraw/zinc/61/76/21/1424617621.db2.gz HVGJIFZVALLUHJ-NVXWUHKLSA-N 0 1 388.424 3.227 20 5 GGBDMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000160617529 1424619640 /nfs/dbraw/zinc/61/96/40/1424619640.db2.gz GUBIABACQTXLGY-UHFFFAOYSA-N 0 1 375.375 3.267 20 5 GGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCN(Cc2ccccc2Cl)CC1 ZINC000161276584 1424672008 /nfs/dbraw/zinc/67/20/08/1424672008.db2.gz LTWGBXCLWPSADR-UHFFFAOYSA-N 0 1 399.838 3.083 20 5 GGBDMN Cc1ccc(-c2n[nH]c(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)c2C)o1 ZINC000161378294 1424682592 /nfs/dbraw/zinc/68/25/92/1424682592.db2.gz XIKQPKJVGPVNNA-UHFFFAOYSA-N 0 1 398.375 3.147 20 5 GGBDMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000161438833 1424689945 /nfs/dbraw/zinc/68/99/45/1424689945.db2.gz MROAZFMHUVSUQP-KGLIPLIRSA-N 0 1 377.466 3.223 20 5 GGBDMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000161447264 1424690062 /nfs/dbraw/zinc/69/00/62/1424690062.db2.gz VSWGCGOCKVKHDQ-ZIAGYGMSSA-N 0 1 377.466 3.223 20 5 GGBDMN CC[C@@H](N[C@@H](C)c1cccc(S(=O)(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000161468226 1424693744 /nfs/dbraw/zinc/69/37/44/1424693744.db2.gz HBZUKUSUEIVZOF-SCLBCKFNSA-N 0 1 377.466 3.305 20 5 GGBDMN C[C@@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000161554314 1424709452 /nfs/dbraw/zinc/70/94/52/1424709452.db2.gz DHUUEZOXTOTWHG-KGLIPLIRSA-N 0 1 377.466 3.257 20 5 GGBDMN CC(C)(C)n1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC000161597621 1424721378 /nfs/dbraw/zinc/72/13/78/1424721378.db2.gz SOQLRDKOBYOZQG-UHFFFAOYSA-N 0 1 392.359 3.366 20 5 GGBDMN CCCn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC000161670270 1424736959 /nfs/dbraw/zinc/73/69/59/1424736959.db2.gz IKCRCDVSYIECKV-UHFFFAOYSA-N 0 1 378.332 3.021 20 5 GGBDMN CC(C)Cn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC000161672301 1424737204 /nfs/dbraw/zinc/73/72/04/1424737204.db2.gz BJMUEPSPDJEMRX-UHFFFAOYSA-N 0 1 392.359 3.267 20 5 GGBDMN CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000180137291 1429753641 /nfs/dbraw/zinc/75/36/41/1429753641.db2.gz NFJXUTNXTCKWDJ-UKRRQHHQSA-N 0 1 388.411 3.373 20 5 GGBDMN CC[C@@H](O)[C@H]1CCCCN1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000180137291 1429753646 /nfs/dbraw/zinc/75/36/46/1429753646.db2.gz NFJXUTNXTCKWDJ-UKRRQHHQSA-N 0 1 388.411 3.373 20 5 GGBDMN CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000180137278 1429753673 /nfs/dbraw/zinc/75/36/73/1429753673.db2.gz NFJXUTNXTCKWDJ-HIFRSBDPSA-N 0 1 388.411 3.373 20 5 GGBDMN CC[C@H](O)[C@H]1CCCCN1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000180137278 1429753679 /nfs/dbraw/zinc/75/36/79/1429753679.db2.gz NFJXUTNXTCKWDJ-HIFRSBDPSA-N 0 1 388.411 3.373 20 5 GGBDMN O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000161947268 1424802165 /nfs/dbraw/zinc/80/21/65/1424802165.db2.gz XVOOILYARWYVNA-KRWDZBQOSA-N 0 1 395.394 3.425 20 5 GGBDMN O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000161947268 1424802171 /nfs/dbraw/zinc/80/21/71/1424802171.db2.gz XVOOILYARWYVNA-KRWDZBQOSA-N 0 1 395.394 3.425 20 5 GGBDMN Cc1ccc([C@@H](C)NCc2ccccc2OCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000162024039 1424809631 /nfs/dbraw/zinc/80/96/31/1424809631.db2.gz HLERCXFXEPELLN-GOSISDBHSA-N 0 1 399.491 3.465 20 5 GGBDMN Cc1c(CC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000162126574 1424818026 /nfs/dbraw/zinc/81/80/26/1424818026.db2.gz AQSHVFJPHWTPCB-UHFFFAOYSA-N 0 1 385.439 3.366 20 5 GGBDMN COc1ccc([C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2ccccc2Cl)cc1 ZINC000163219767 1424961321 /nfs/dbraw/zinc/96/13/21/1424961321.db2.gz KTGFEQGYJCQYAZ-INIZCTEOSA-N 0 1 386.795 3.499 20 5 GGBDMN O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000164101700 1425077041 /nfs/dbraw/zinc/07/70/41/1425077041.db2.gz LBLQLNIOLHVETH-UHFFFAOYSA-N 0 1 389.839 3.302 20 5 GGBDMN O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000164101700 1425077046 /nfs/dbraw/zinc/07/70/46/1425077046.db2.gz LBLQLNIOLHVETH-UHFFFAOYSA-N 0 1 389.839 3.302 20 5 GGBDMN COc1cc(S(=O)(=O)Nc2ccc(C)c(-c3ncco3)c2)ccc1[N+](=O)[O-] ZINC000164760021 1425140084 /nfs/dbraw/zinc/14/00/84/1425140084.db2.gz TUHZDTSFOMRZLD-UHFFFAOYSA-N 0 1 389.389 3.368 20 5 GGBDMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164832808 1425145605 /nfs/dbraw/zinc/14/56/05/1425145605.db2.gz HWLIIRGOJPJEDU-KRWDZBQOSA-N 0 1 383.448 3.285 20 5 GGBDMN O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000165050572 1425160221 /nfs/dbraw/zinc/16/02/21/1425160221.db2.gz BXNUFNPGEQVOEP-HKUYNNGSSA-N 0 1 395.459 3.427 20 5 GGBDMN CN1CC[NH+](Cc2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000170504484 1425263607 /nfs/dbraw/zinc/26/36/07/1425263607.db2.gz NCRQXMQIVPFODM-UHFFFAOYSA-N 0 1 388.855 3.248 20 5 GGBDMN CN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000170504484 1425263614 /nfs/dbraw/zinc/26/36/14/1425263614.db2.gz NCRQXMQIVPFODM-UHFFFAOYSA-N 0 1 388.855 3.248 20 5 GGBDMN O=C1CCc2cc([N+](=O)[O-])c(Nc3ccc(CCN4CCOCC4)cc3)cc2N1 ZINC000170639859 1425271344 /nfs/dbraw/zinc/27/13/44/1425271344.db2.gz NTHNQTFALDRIIT-UHFFFAOYSA-N 0 1 396.447 3.098 20 5 GGBDMN C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824612305 1425383831 /nfs/dbraw/zinc/38/38/31/1425383831.db2.gz MQBBUXHIPJZYSJ-VIFPVBQESA-N 0 1 376.779 3.418 20 5 GGBDMN CN(C[C@H]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1)C(=O)OC(C)(C)C ZINC000170903464 1425386772 /nfs/dbraw/zinc/38/67/72/1425386772.db2.gz NYMTYZMQDIWUDT-CQSZACIVSA-N 0 1 389.456 3.091 20 5 GGBDMN Cc1nn(C)c(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)c1[N+](=O)[O-] ZINC000170921798 1425395000 /nfs/dbraw/zinc/39/50/00/1425395000.db2.gz QRSVZURTMXUHST-KRWDZBQOSA-N 0 1 390.403 3.032 20 5 GGBDMN CCN1CCN([C@H]2CCN(C(=O)c3cc4ccccc4c4cccnc34)C2)CC1 ZINC000170949971 1425411196 /nfs/dbraw/zinc/41/11/96/1425411196.db2.gz STSRWBBXIDGGNU-IBGZPJMESA-N 0 1 388.515 3.240 20 5 GGBDMN O=[N+]([O-])c1cc(CNC2(c3ccc(F)cc3)CCOCC2)c2c(c1)COCO2 ZINC000170970856 1425421412 /nfs/dbraw/zinc/42/14/12/1425421412.db2.gz LFQXHNKDCYEWPD-UHFFFAOYSA-N 0 1 388.395 3.396 20 5 GGBDMN Cc1ccc([C@@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)N2CCCC2)o1 ZINC000171239652 1425560519 /nfs/dbraw/zinc/56/05/19/1425560519.db2.gz KQSPRRSOVHPWTP-GOSISDBHSA-N 0 1 386.452 3.175 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c1[N+](=O)[O-] ZINC000171371592 1425645668 /nfs/dbraw/zinc/64/56/68/1425645668.db2.gz QUSNGUUYBDFTKZ-UHFFFAOYSA-N 0 1 383.383 3.430 20 5 GGBDMN Cc1nn(CCC(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c(C)c1[N+](=O)[O-] ZINC000171441318 1425680233 /nfs/dbraw/zinc/68/02/33/1425680233.db2.gz SMNVMCWTOKEYRS-MRXNPFEDSA-N 0 1 398.423 3.165 20 5 GGBDMN Cc1nc(-c2c[nH]c(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)c2)cs1 ZINC000171484686 1425701050 /nfs/dbraw/zinc/70/10/50/1425701050.db2.gz FUAKNQMLXNAEPN-UHFFFAOYSA-N 0 1 395.404 3.392 20 5 GGBDMN O=C(N[C@@H](c1nccs1)c1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000171591503 1425751906 /nfs/dbraw/zinc/75/19/06/1425751906.db2.gz ZPBWOHWEMUAYOH-OAHLLOKOSA-N 0 1 379.401 3.447 20 5 GGBDMN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000171667198 1425782447 /nfs/dbraw/zinc/78/24/47/1425782447.db2.gz HOWOSIBPSLEDOP-UHFFFAOYSA-N 0 1 380.339 3.112 20 5 GGBDMN CCCc1[nH]nc(C(=O)N2CCC(Nc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000171804355 1425824883 /nfs/dbraw/zinc/82/48/83/1425824883.db2.gz KQVKKOBIKMTVRG-UHFFFAOYSA-N 0 1 375.404 3.126 20 5 GGBDMN CC(C)CN1CCO[C@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000172112264 1425899290 /nfs/dbraw/zinc/89/92/90/1425899290.db2.gz DIJDXGMEIGIYOO-GOSISDBHSA-N 0 1 390.509 3.165 20 5 GGBDMN O=[N+]([O-])c1ccc(N2CCN(CCc3cccnc3)CC2)c(C(F)(F)F)c1 ZINC000172160549 1425926594 /nfs/dbraw/zinc/92/65/94/1425926594.db2.gz VWKJKOZUMCROIO-UHFFFAOYSA-N 0 1 380.370 3.373 20 5 GGBDMN Cc1ccc(NC(=O)C2CC2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000172182705 1425937491 /nfs/dbraw/zinc/93/74/91/1425937491.db2.gz GACRMDWFLCBKRM-UHFFFAOYSA-N 0 1 389.433 3.361 20 5 GGBDMN Cc1cc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)nc2)ccc1[N+](=O)[O-] ZINC000172182697 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ZINC000175862178 1427938805 /nfs/dbraw/zinc/93/88/05/1427938805.db2.gz PHXUWCFEIFLMKF-UHFFFAOYSA-N 0 1 375.472 3.325 20 5 GGBDMN Cc1ccc([C@H](C)NC(=O)NC2CCN(Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000175912399 1427967710 /nfs/dbraw/zinc/96/77/10/1427967710.db2.gz JZFCUFLZMSFGJY-INIZCTEOSA-N 0 1 397.479 3.323 20 5 GGBDMN CC[C@H]([NH2+]CCCOc1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825143526 1428032964 /nfs/dbraw/zinc/03/29/64/1428032964.db2.gz WFQUEICDPYOJBQ-SFHVURJKSA-N 0 1 382.424 3.285 20 5 GGBDMN COc1ccccc1[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)N1CCCCC1 ZINC000176071963 1428067642 /nfs/dbraw/zinc/06/76/42/1428067642.db2.gz WXGJSKUGCHZOMJ-SFHVURJKSA-N 0 1 398.463 3.143 20 5 GGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000176248953 1428194548 /nfs/dbraw/zinc/19/45/48/1428194548.db2.gz XKDQOHTVGBUAQP-ABAIWWIYSA-N 0 1 386.433 3.261 20 5 GGBDMN CCOc1cc(N2CCC(CCCN3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000180173192 1429779764 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CC[C@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000180636807 1429947918 /nfs/dbraw/zinc/94/79/18/1429947918.db2.gz NQNPQMSYJBEFKU-DYVFJYSZSA-N 0 1 385.420 3.434 20 5 GGBDMN CC[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000180644043 1429950973 /nfs/dbraw/zinc/95/09/73/1429950973.db2.gz UEQBKAZNEXTHOX-DZGCQCFKSA-N 0 1 385.420 3.434 20 5 GGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000180828165 1430060304 /nfs/dbraw/zinc/06/03/04/1430060304.db2.gz ZPOCZDCMFNDOIR-CQSZACIVSA-N 0 1 395.419 3.078 20 5 GGBDMN COc1cc(CN2CC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000180850599 1430069346 /nfs/dbraw/zinc/06/93/46/1430069346.db2.gz FWJSPOOFNWWFMJ-RDJZCZTQSA-N 0 1 386.448 3.385 20 5 GGBDMN COc1ccc(NC(=O)CN[C@@H](C)c2ccc(-n3cccn3)cc2)c([N+](=O)[O-])c1 ZINC000180854353 1430071554 /nfs/dbraw/zinc/07/15/54/1430071554.db2.gz QFFHDXJNBWIECV-AWEZNQCLSA-N 0 1 395.419 3.078 20 5 GGBDMN CC(C)(NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(F)c(F)c1 ZINC000180868934 1430077926 /nfs/dbraw/zinc/07/79/26/1430077926.db2.gz DDLIJCXMHQOSNU-UHFFFAOYSA-N 0 1 375.375 3.287 20 5 GGBDMN COc1ccc([C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])N2CCCCC2)cc1 ZINC000180885230 1430088591 /nfs/dbraw/zinc/08/85/91/1430088591.db2.gz FCNGNBQUVZUPGS-IBGZPJMESA-N 0 1 398.463 3.143 20 5 GGBDMN COc1ccc(CN2CC[C@@H](N[C@H](C)c3cccc([N+](=O)[O-])c3C)C2=O)cc1 ZINC000180914675 1430109604 /nfs/dbraw/zinc/10/96/04/1430109604.db2.gz KIEABOFDRPZNEM-DNVCBOLYSA-N 0 1 383.448 3.364 20 5 GGBDMN COc1ccc(CN2CC[C@H](N[C@H](C)c3cccc([N+](=O)[O-])c3C)C2=O)cc1 ZINC000180914711 1430111364 /nfs/dbraw/zinc/11/13/64/1430111364.db2.gz KIEABOFDRPZNEM-BEFAXECRSA-N 0 1 383.448 3.364 20 5 GGBDMN COc1ccccc1[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])N1CCCCC1 ZINC000180954387 1430133542 /nfs/dbraw/zinc/13/35/42/1430133542.db2.gz RMPNJOADGLZBQN-GOSISDBHSA-N 0 1 398.463 3.143 20 5 GGBDMN CCOc1ccc([C@H](C)N[C@@H]2CCN(c3ccccc3OC)C2=O)cc1[N+](=O)[O-] ZINC000181287360 1430263295 /nfs/dbraw/zinc/26/32/95/1430263295.db2.gz NDFQAQHMACQHIM-GOEBONIOSA-N 0 1 399.447 3.458 20 5 GGBDMN C[C@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000181404212 1430289583 /nfs/dbraw/zinc/28/95/83/1430289583.db2.gz DEWYVDFFCALJKR-GJZGRUSLSA-N 0 1 396.447 3.399 20 5 GGBDMN COC[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(F)c(F)c1 ZINC000181423889 1430295049 /nfs/dbraw/zinc/29/50/49/1430295049.db2.gz CEOXBDIEXZQXQB-GOSISDBHSA-N 0 1 393.390 3.487 20 5 GGBDMN COC[C@@H](NCCOc1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000181422942 1430295135 /nfs/dbraw/zinc/29/51/35/1430295135.db2.gz XRQKFBVMSAUEME-MRXNPFEDSA-N 0 1 382.363 3.238 20 5 GGBDMN COC[C@H](NCCOc1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000181422924 1430295192 /nfs/dbraw/zinc/29/51/92/1430295192.db2.gz XRQKFBVMSAUEME-INIZCTEOSA-N 0 1 382.363 3.238 20 5 GGBDMN COC[C@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(F)c(F)c1 ZINC000181437729 1430298975 /nfs/dbraw/zinc/29/89/75/1430298975.db2.gz UHYVGPZGGYZPFW-KRWDZBQOSA-N 0 1 393.390 3.487 20 5 GGBDMN C[C@@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000181441207 1430299859 /nfs/dbraw/zinc/29/98/59/1430299859.db2.gz MJPSPDKSXHWXGD-LSDHHAIUSA-N 0 1 396.447 3.399 20 5 GGBDMN Cc1cc(S(=O)(=O)NCCN[C@H](C)c2cccc([N+](=O)[O-])c2C)c(C)s1 ZINC000181505322 1430311988 /nfs/dbraw/zinc/31/19/88/1430311988.db2.gz XFMJFQGKOYAJRI-CYBMUJFWSA-N 0 1 397.522 3.211 20 5 GGBDMN Cc1ccc([C@H](C)NCC(=O)NCCCN(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000181811612 1430365506 /nfs/dbraw/zinc/36/55/06/1430365506.db2.gz UCXFTLXNVGSDGF-KRWDZBQOSA-N 0 1 384.480 3.197 20 5 GGBDMN Cc1ccc([C@@H](C)NCC(=O)NCc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000181822752 1430367636 /nfs/dbraw/zinc/36/76/36/1430367636.db2.gz ZJVQRHWIJAVDGA-CYBMUJFWSA-N 0 1 393.390 3.472 20 5 GGBDMN CCOCc1ccc(CNC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181828477 1430368701 /nfs/dbraw/zinc/36/87/01/1430368701.db2.gz OQTBDGXZDHPVHI-MRXNPFEDSA-N 0 1 385.464 3.407 20 5 GGBDMN Cc1ccc([C@H](C)NCC(=O)N(C)CCOc2ccccc2F)cc1[N+](=O)[O-] ZINC000181832979 1430369380 /nfs/dbraw/zinc/36/93/80/1430369380.db2.gz YVWCMTXXUVATKT-HNNXBMFYSA-N 0 1 389.427 3.230 20 5 GGBDMN Cc1ccc([C@H](C)NCC(=O)Nc2ccccc2N2CCCC2=O)cc1[N+](=O)[O-] ZINC000181834674 1430369597 /nfs/dbraw/zinc/36/95/97/1430369597.db2.gz NCOGAWNHKVVLKE-HNNXBMFYSA-N 0 1 396.447 3.319 20 5 GGBDMN COc1cc(CNc2nnc(CCCc3ccccc3)o2)cc([N+](=O)[O-])c1O ZINC000181841939 1430370890 /nfs/dbraw/zinc/37/08/90/1430370890.db2.gz AAEJWVLPKAEFES-UHFFFAOYSA-N 0 1 384.392 3.479 20 5 GGBDMN CC[C@@H](C)Oc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)ccn1 ZINC000181888035 1430378106 /nfs/dbraw/zinc/37/81/06/1430378106.db2.gz MRDWOPNFJKPWPY-LLVKDONJSA-N 0 1 382.380 3.205 20 5 GGBDMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182161056 1430422277 /nfs/dbraw/zinc/42/22/77/1430422277.db2.gz VHEDQTOPJCFBIG-QGZVFWFLSA-N 0 1 399.447 3.133 20 5 GGBDMN CCc1nc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)n[nH]1 ZINC000182276577 1430441542 /nfs/dbraw/zinc/44/15/42/1430441542.db2.gz OGOQECCTXISTNZ-UHFFFAOYSA-N 0 1 396.194 3.020 20 5 GGBDMN CCc1n[nH]c(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)n1 ZINC000182276577 1430441546 /nfs/dbraw/zinc/44/15/46/1430441546.db2.gz OGOQECCTXISTNZ-UHFFFAOYSA-N 0 1 396.194 3.020 20 5 GGBDMN CCOc1cccc([C@@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000182405809 1430461704 /nfs/dbraw/zinc/46/17/04/1430461704.db2.gz LSQHQBCSSHJLAC-CQSZACIVSA-N 0 1 378.450 3.118 20 5 GGBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC1(c2ccc(F)cc2F)CCC1 ZINC000182435451 1430467365 /nfs/dbraw/zinc/46/73/65/1430467365.db2.gz OBOVPRZDCCMZHJ-AWEZNQCLSA-N 0 1 378.375 3.282 20 5 GGBDMN CCC[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CCN1Cc1ccccc1 ZINC000182493499 1430477260 /nfs/dbraw/zinc/47/72/60/1430477260.db2.gz SPQQSUBJQQUFDT-LJQANCHMSA-N 0 1 399.495 3.003 20 5 GGBDMN CC(=O)Nc1cccc([C@@H](C)NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000182529584 1430484342 /nfs/dbraw/zinc/48/43/42/1430484342.db2.gz OQECFXUEXAWPCJ-LLVKDONJSA-N 0 1 390.827 3.496 20 5 GGBDMN CCN(CC)C(=O)CCC1CCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000182578200 1430496382 /nfs/dbraw/zinc/49/63/82/1430496382.db2.gz AQYAJBCODUCTRV-UHFFFAOYSA-N 0 1 377.485 3.464 20 5 GGBDMN C[C@@H](C(=O)NC[C@H](C)N1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000182620035 1430503822 /nfs/dbraw/zinc/50/38/22/1430503822.db2.gz QIZWOTCXEOOAMI-LSDHHAIUSA-N 0 1 385.439 3.400 20 5 GGBDMN O=C(N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000182724115 1430527574 /nfs/dbraw/zinc/52/75/74/1430527574.db2.gz UKCKCQSLVRLYIX-RDJZCZTQSA-N 0 1 388.330 3.009 20 5 GGBDMN Cc1cc([C@H](C)NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c(C)s1 ZINC000182738740 1430530771 /nfs/dbraw/zinc/53/07/71/1430530771.db2.gz WMZUPTYASNTKGQ-JTQLQIEISA-N 0 1 377.422 3.291 20 5 GGBDMN CN(Cc1nnc[nH]1)C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000182794454 1430541357 /nfs/dbraw/zinc/54/13/57/1430541357.db2.gz NECBCLHHMUMYCM-UHFFFAOYSA-N 0 1 375.454 3.267 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](c1nc(C)cs1)C1CC1 ZINC000183561869 1430742662 /nfs/dbraw/zinc/74/26/62/1430742662.db2.gz OXZWTJORVANCRO-KRWDZBQOSA-N 0 1 390.465 3.438 20 5 GGBDMN COc1ccccc1[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])N1CCCCC1 ZINC000183589773 1430748519 /nfs/dbraw/zinc/74/85/19/1430748519.db2.gz WXCSSNFPTMGKPU-KRWDZBQOSA-N 0 1 399.451 3.347 20 5 GGBDMN C[C@@H](C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000183606991 1430753214 /nfs/dbraw/zinc/75/32/14/1430753214.db2.gz LVYHMCLQDIFCCE-DGCLKSJQSA-N 0 1 387.415 3.239 20 5 GGBDMN C[C@@H](C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000183606954 1430753263 /nfs/dbraw/zinc/75/32/63/1430753263.db2.gz LVYHMCLQDIFCCE-YPMHNXCESA-N 0 1 387.415 3.239 20 5 GGBDMN CN(C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1cccc(C(F)(F)F)c1 ZINC000183898021 1430810354 /nfs/dbraw/zinc/81/03/54/1430810354.db2.gz HOSBIBWTBOFPTD-OAHLLOKOSA-N 0 1 396.369 3.229 20 5 GGBDMN CN(C)[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000183900440 1430810550 /nfs/dbraw/zinc/81/05/50/1430810550.db2.gz RJYMRNUQEVWUIG-OAHLLOKOSA-N 0 1 396.369 3.229 20 5 GGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCNC(C)(C)c1ncc(C)s1 ZINC000183920816 1430813346 /nfs/dbraw/zinc/81/33/46/1430813346.db2.gz ZVYCVBUWDAVVSQ-UHFFFAOYSA-N 0 1 378.454 3.222 20 5 GGBDMN CN(C)[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1 ZINC000184113338 1430842739 /nfs/dbraw/zinc/84/27/39/1430842739.db2.gz CMTQIWYZIKXQJB-KRWDZBQOSA-N 0 1 394.834 3.489 20 5 GGBDMN CN(C)[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1 ZINC000184113354 1430842855 /nfs/dbraw/zinc/84/28/55/1430842855.db2.gz CMTQIWYZIKXQJB-QGZVFWFLSA-N 0 1 394.834 3.489 20 5 GGBDMN COc1cc(CN[C@@H](C)C[S@](C)=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000184264760 1430864663 /nfs/dbraw/zinc/86/46/63/1430864663.db2.gz DTUZXPREBANSIR-PWFNWSNSSA-N 0 1 392.477 3.039 20 5 GGBDMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184341001 1430875264 /nfs/dbraw/zinc/87/52/64/1430875264.db2.gz XIXNZSKKHWWESL-UHFFFAOYSA-N 0 1 386.477 3.287 20 5 GGBDMN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H](c1ccco1)N1CCCC1 ZINC000184356613 1430877495 /nfs/dbraw/zinc/87/74/95/1430877495.db2.gz FKLVKHNBCBONQN-MRXNPFEDSA-N 0 1 392.843 3.478 20 5 GGBDMN O=C(NCCN1CCc2ccccc2C1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184370487 1430879686 /nfs/dbraw/zinc/87/96/86/1430879686.db2.gz BAQPEMXNTGVGRW-UHFFFAOYSA-N 0 1 388.855 3.106 20 5 GGBDMN CC[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1nc(C)cs1 ZINC000184437724 1430887778 /nfs/dbraw/zinc/88/77/78/1430887778.db2.gz MVRANPBVOJZRGS-ZDUSSCGKSA-N 0 1 378.454 3.438 20 5 GGBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000184480793 1430892709 /nfs/dbraw/zinc/89/27/09/1430892709.db2.gz PUVIJFKAJUFOEW-UHFFFAOYSA-N 0 1 383.452 3.393 20 5 GGBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000184484884 1430893200 /nfs/dbraw/zinc/89/32/00/1430893200.db2.gz WKUDTIZETSJDDS-UHFFFAOYSA-N 0 1 396.407 3.230 20 5 GGBDMN CSCC[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000184596917 1430913791 /nfs/dbraw/zinc/91/37/91/1430913791.db2.gz VQCAUOWWWZYEGY-MRXNPFEDSA-N 0 1 387.465 3.100 20 5 GGBDMN CCc1ccc([C@@H](COC)NCCC(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000184796747 1430980652 /nfs/dbraw/zinc/98/06/52/1430980652.db2.gz CNTNTEQZVHBBDN-MRXNPFEDSA-N 0 1 375.425 3.365 20 5 GGBDMN O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000184822336 1430990693 /nfs/dbraw/zinc/99/06/93/1430990693.db2.gz IWHQAOWWZRPHDS-PXNSSMCTSA-N 0 1 395.459 3.427 20 5 GGBDMN C[C@H](CCN1CCN(C)CC1)Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000184828553 1430994428 /nfs/dbraw/zinc/99/44/28/1430994428.db2.gz LIPBHDYEAOMTPC-QGZVFWFLSA-N 0 1 396.491 3.264 20 5 GGBDMN C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000184953179 1431029055 /nfs/dbraw/zinc/02/90/55/1431029055.db2.gz YCXHFVKKGJYFCM-UHFFFAOYSA-N 0 1 383.448 3.285 20 5 GGBDMN COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c(C)c1F ZINC000184964103 1431032046 /nfs/dbraw/zinc/03/20/46/1431032046.db2.gz ZUKPWAILUXTKOW-UHFFFAOYSA-N 0 1 391.380 3.400 20 5 GGBDMN CC(C)(C)OC(=O)NC[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000185204165 1431084019 /nfs/dbraw/zinc/08/40/19/1431084019.db2.gz PUFBSFNPABSPMG-CQSZACIVSA-N 0 1 376.413 3.129 20 5 GGBDMN CC(C)(C)OC(=O)NC[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000185204151 1431084204 /nfs/dbraw/zinc/08/42/04/1431084204.db2.gz PUFBSFNPABSPMG-AWEZNQCLSA-N 0 1 376.413 3.129 20 5 GGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](c1ncc(C)s1)C1CC1 ZINC000185279031 1431098887 /nfs/dbraw/zinc/09/88/87/1431098887.db2.gz TVTXMQWGNUVMIT-KRWDZBQOSA-N 0 1 390.465 3.438 20 5 GGBDMN CC[C@@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000185342682 1431120371 /nfs/dbraw/zinc/12/03/71/1431120371.db2.gz UJDVJUHEVJKKND-NHCUHLMSSA-N 0 1 397.475 3.106 20 5 GGBDMN CC[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000185342666 1431120389 /nfs/dbraw/zinc/12/03/89/1431120389.db2.gz UJDVJUHEVJKKND-LEWJYISDSA-N 0 1 397.475 3.106 20 5 GGBDMN CC[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000185342645 1431120656 /nfs/dbraw/zinc/12/06/56/1431120656.db2.gz UJDVJUHEVJKKND-RTWAWAEBSA-N 0 1 397.475 3.106 20 5 GGBDMN Cc1ccc([C@H](C)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000185343921 1431120993 /nfs/dbraw/zinc/12/09/93/1431120993.db2.gz GADCSQGEMFSYFP-PXNSSMCTSA-N 0 1 397.475 3.024 20 5 GGBDMN Cn1cc([C@@H](NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)cn1 ZINC000185419783 1431141924 /nfs/dbraw/zinc/14/19/24/1431141924.db2.gz VBFSYPREMIXJHG-FQEVSTJZSA-N 0 1 397.410 3.175 20 5 GGBDMN C[C@@H](c1ccsc1)N1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000185462218 1431150417 /nfs/dbraw/zinc/15/04/17/1431150417.db2.gz AFXVMXSKVPFODX-HNNXBMFYSA-N 0 1 388.493 3.364 20 5 GGBDMN CCCc1[nH]nc(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000185970514 1431301252 /nfs/dbraw/zinc/30/12/52/1431301252.db2.gz DIJMFULBGWYYJU-CQSZACIVSA-N 0 1 378.816 3.138 20 5 GGBDMN CSc1cccc(C(=O)NC[C@H](C)N2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000186114077 1431333560 /nfs/dbraw/zinc/33/35/60/1431333560.db2.gz WNRMCJJYPSBWMX-AWEZNQCLSA-N 0 1 385.489 3.493 20 5 GGBDMN CCO[C@H]1C[C@@](CO)(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1(C)C ZINC000186576747 1431458881 /nfs/dbraw/zinc/45/88/81/1431458881.db2.gz JIFKJGWFGVPINE-LPHOPBHVSA-N 0 1 391.493 3.374 20 5 GGBDMN CCOC(=O)C[C@](C)(NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C ZINC000186706704 1431497088 /nfs/dbraw/zinc/49/70/88/1431497088.db2.gz HYPOQSSTWZCUJB-SFHVURJKSA-N 0 1 376.413 3.102 20 5 GGBDMN CC1(C)OCc2cc(CN3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc2O1 ZINC000186821053 1431527825 /nfs/dbraw/zinc/52/78/25/1431527825.db2.gz NSJLVLGAOUXEPY-INIZCTEOSA-N 0 1 384.436 3.321 20 5 GGBDMN C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC[N@H+]1Cc1ccccc1 ZINC000186869947 1431547875 /nfs/dbraw/zinc/54/78/75/1431547875.db2.gz JWUUBQQZSKJRTG-RDJZCZTQSA-N 0 1 383.448 3.426 20 5 GGBDMN O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187045774 1431599279 /nfs/dbraw/zinc/59/92/79/1431599279.db2.gz XHJJQEYNMHYBNE-UHFFFAOYSA-N 0 1 384.436 3.001 20 5 GGBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2nnc(C(C)C)n2c1 ZINC000187778407 1431811415 /nfs/dbraw/zinc/81/14/15/1431811415.db2.gz SNCYOPRCCSXGDI-UHFFFAOYSA-N 0 1 389.437 3.124 20 5 GGBDMN COc1cccc([C@@H](CNC(=O)c2cccc(SC)c2[N+](=O)[O-])N(C)C)c1 ZINC000188016529 1431836789 /nfs/dbraw/zinc/83/67/89/1431836789.db2.gz RRNRLLSSRUIPQJ-MRXNPFEDSA-N 0 1 389.477 3.358 20 5 GGBDMN COc1cccc([C@H](CNC(=O)c2cccc(SC)c2[N+](=O)[O-])N(C)C)c1 ZINC000188016501 1431836853 /nfs/dbraw/zinc/83/68/53/1431836853.db2.gz RRNRLLSSRUIPQJ-INIZCTEOSA-N 0 1 389.477 3.358 20 5 GGBDMN CSc1cccc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c1[N+](=O)[O-] ZINC000188016441 1431836886 /nfs/dbraw/zinc/83/68/86/1431836886.db2.gz XZYHTQFSFSBQPD-HNNXBMFYSA-N 0 1 377.441 3.489 20 5 GGBDMN CSc1cccc(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)c1[N+](=O)[O-] ZINC000188071723 1431842381 /nfs/dbraw/zinc/84/23/81/1431842381.db2.gz ICNOAZYQCDTWAT-OAHLLOKOSA-N 0 1 377.441 3.489 20 5 GGBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2nnc(C3CCC3)n2c1 ZINC000188228258 1431863473 /nfs/dbraw/zinc/86/34/73/1431863473.db2.gz IYVTZFNZMUDGED-UHFFFAOYSA-N 0 1 387.421 3.014 20 5 GGBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc2nnc(C3CCC3)n2c1 ZINC000188233196 1431864194 /nfs/dbraw/zinc/86/41/94/1431864194.db2.gz NMNZBOIRJDRNJP-UHFFFAOYSA-N 0 1 387.421 3.014 20 5 GGBDMN Cc1cc(S(=O)(=O)Nc2ccc3nnc(C4CCC4)n3c2)ccc1[N+](=O)[O-] ZINC000188235109 1431864523 /nfs/dbraw/zinc/86/45/23/1431864523.db2.gz GYZMOVNHJALVMU-UHFFFAOYSA-N 0 1 387.421 3.014 20 5 GGBDMN C[C@@H](O)CN1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000188722565 1431946655 /nfs/dbraw/zinc/94/66/55/1431946655.db2.gz DTLMIZZOEUPBER-CYBMUJFWSA-N 0 1 379.844 3.007 20 5 GGBDMN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000189210049 1432063721 /nfs/dbraw/zinc/06/37/21/1432063721.db2.gz ONYBDFOLQUPIPV-OAHLLOKOSA-N 0 1 389.477 3.328 20 5 GGBDMN Cc1ccc(C)c(S(=O)(=O)N(CCN(C)C)Cc2cccs2)c1[N+](=O)[O-] ZINC000190063009 1432312858 /nfs/dbraw/zinc/31/28/58/1432312858.db2.gz VOIHFDFNMSJMEX-UHFFFAOYSA-N 0 1 397.522 3.026 20 5 GGBDMN COc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc([N+](=O)[O-])c1C ZINC000190609071 1432419540 /nfs/dbraw/zinc/41/95/40/1432419540.db2.gz FQMODRSFHRZCMP-UHFFFAOYSA-N 0 1 398.463 3.224 20 5 GGBDMN Cn1cc([C@@H]2CSCCN2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cn1 ZINC000191214688 1432593851 /nfs/dbraw/zinc/59/38/51/1432593851.db2.gz SNWJDRBYFRSKTA-KRWDZBQOSA-N 0 1 399.476 3.316 20 5 GGBDMN COc1ccc(-c2n[nH]c(CNC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)n2)cc1 ZINC000191383078 1432646695 /nfs/dbraw/zinc/64/66/95/1432646695.db2.gz OYEXZEVPIWLHOG-UHFFFAOYSA-N 0 1 396.407 3.327 20 5 GGBDMN COc1ccc(-c2nc(CNC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)n[nH]2)cc1 ZINC000191383078 1432646709 /nfs/dbraw/zinc/64/67/09/1432646709.db2.gz OYEXZEVPIWLHOG-UHFFFAOYSA-N 0 1 396.407 3.327 20 5 GGBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000191391969 1432649610 /nfs/dbraw/zinc/64/96/10/1432649610.db2.gz VOWNXBNYEMTTJC-UHFFFAOYSA-N 0 1 383.452 3.393 20 5 GGBDMN CCn1nccc1N1CCC[C@H](NCc2ccc(C(C)C)c([N+](=O)[O-])c2)C1=O ZINC000191641706 1432698650 /nfs/dbraw/zinc/69/86/50/1432698650.db2.gz RUCCBVGZRQSEEV-KRWDZBQOSA-N 0 1 385.468 3.220 20 5 GGBDMN CNC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1Cl ZINC000191791348 1432726162 /nfs/dbraw/zinc/72/61/62/1432726162.db2.gz YFFZKISMVKQTHR-UHFFFAOYSA-N 0 1 397.840 3.025 20 5 GGBDMN Cc1cc(C)c(S(=O)(=O)Nc2nccc(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000191917587 1432755274 /nfs/dbraw/zinc/75/52/74/1432755274.db2.gz GUNZNQXXZPYCPO-UHFFFAOYSA-N 0 1 384.417 3.469 20 5 GGBDMN Cc1ccc(C[NH+](C)C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191941001 1432761472 /nfs/dbraw/zinc/76/14/72/1432761472.db2.gz XABIWHYPADIWBD-UHFFFAOYSA-N 0 1 377.466 3.382 20 5 GGBDMN O=C(CN[C@@H]1CCO[C@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000191962407 1432768865 /nfs/dbraw/zinc/76/88/65/1432768865.db2.gz FXMGOGZEBGHDRQ-AEFFLSMTSA-N 0 1 375.812 3.307 20 5 GGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192111479 1432800013 /nfs/dbraw/zinc/80/00/13/1432800013.db2.gz QKJQKPPZFNXCDP-HKUYNNGSSA-N 0 1 391.374 3.240 20 5 GGBDMN C[C@@H](N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192111722 1432800024 /nfs/dbraw/zinc/80/00/24/1432800024.db2.gz WLXCBPBOGGTIJT-XNAIMREJSA-N 0 1 391.374 3.320 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192124766 1432802181 /nfs/dbraw/zinc/80/21/81/1432802181.db2.gz JVZLQIJRNGSUJY-APWZRJJASA-N 0 1 391.374 3.240 20 5 GGBDMN C[C@H](N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000192138535 1432804997 /nfs/dbraw/zinc/80/49/97/1432804997.db2.gz KXVNPTCWQYCVJR-UZCIPKQKSA-N 0 1 391.374 3.320 20 5 GGBDMN C[C@H](N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000192138546 1432805056 /nfs/dbraw/zinc/80/50/56/1432805056.db2.gz KXVNPTCWQYCVJR-FJNPEDAXSA-N 0 1 391.374 3.320 20 5 GGBDMN COc1ccc(NC(=O)[C@H](C)N[C@@H]2CCCc3c(O)cccc32)c([N+](=O)[O-])c1 ZINC000192360213 1432836742 /nfs/dbraw/zinc/83/67/42/1432836742.db2.gz UNAMLOYPTJMQHN-BLLLJJGKSA-N 0 1 385.420 3.303 20 5 GGBDMN CCn1nc(C)c([N+](=O)[O-])c1NCc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000192501754 1432851998 /nfs/dbraw/zinc/85/19/98/1432851998.db2.gz CCNIGMVIPZXBHZ-GJZGRUSLSA-N 0 1 387.484 3.341 20 5 GGBDMN CCc1[nH]nc(C(=O)N(Cc2ccccn2)Cc2ccccc2C)c1[N+](=O)[O-] ZINC000192518117 1432853989 /nfs/dbraw/zinc/85/39/89/1432853989.db2.gz DKHVEOKTZUDLDD-UHFFFAOYSA-N 0 1 379.420 3.426 20 5 GGBDMN CCc1[nH]nc(C(=O)N(Cc2cccc(C)c2)Cc2ccccn2)c1[N+](=O)[O-] ZINC000192517908 1432854063 /nfs/dbraw/zinc/85/40/63/1432854063.db2.gz SOAKDTMXGJQUFD-UHFFFAOYSA-N 0 1 379.420 3.426 20 5 GGBDMN CCc1[nH]nc(C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@H]2C)c1[N+](=O)[O-] ZINC000192559458 1432859795 /nfs/dbraw/zinc/85/97/95/1432859795.db2.gz HMTCBHBGILMFJF-YGRLFVJLSA-N 0 1 378.816 3.136 20 5 GGBDMN CCc1[nH]nc(C(=O)N(CCc2ccc(C)cc2)C[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000192651173 1432871666 /nfs/dbraw/zinc/87/16/66/1432871666.db2.gz RSWOMKNPNQYZBK-MRXNPFEDSA-N 0 1 386.452 3.053 20 5 GGBDMN C[C@H]1CN(c2ccc(CN[C@@H]3CCCc4ccc([N+](=O)[O-])cc43)cn2)CCO1 ZINC000192676939 1432874474 /nfs/dbraw/zinc/87/44/74/1432874474.db2.gz QWZXJYGEECKSDA-MGPUTAFESA-N 0 1 382.464 3.382 20 5 GGBDMN C[C@@H]1CN(c2ccc(CN[C@@H]3CCCc4ccc([N+](=O)[O-])cc43)cn2)CCO1 ZINC000192676922 1432874540 /nfs/dbraw/zinc/87/45/40/1432874540.db2.gz QWZXJYGEECKSDA-FOIQADDNSA-N 0 1 382.464 3.382 20 5 GGBDMN CCC(CC)(CN[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)OC ZINC000192699935 1432876955 /nfs/dbraw/zinc/87/69/55/1432876955.db2.gz KSYXAPJYTOAXHT-GFCCVEGCSA-N 0 1 376.413 3.275 20 5 GGBDMN COC(=O)c1cc(CN(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)oc1C ZINC000192825484 1432895388 /nfs/dbraw/zinc/89/53/88/1432895388.db2.gz KZCJRLAQKPAXLR-UHFFFAOYSA-N 0 1 389.408 3.052 20 5 GGBDMN COC(=O)c1cc(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)oc1C ZINC000192825464 1432895415 /nfs/dbraw/zinc/89/54/15/1432895415.db2.gz OSTDBXMOTCWHMZ-UHFFFAOYSA-N 0 1 389.408 3.052 20 5 GGBDMN O=[N+]([O-])c1cccc(-c2noc(CSc3nc(-c4ccccc4O)n[nH]3)n2)c1 ZINC000192954222 1432912487 /nfs/dbraw/zinc/91/24/87/1432912487.db2.gz DUSYHSDVOKXBJY-UHFFFAOYSA-N 0 1 396.388 3.428 20 5 GGBDMN COc1ccc(CN2CC[C@@H](N[C@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)cc1 ZINC000192998974 1432919551 /nfs/dbraw/zinc/91/95/51/1432919551.db2.gz KFAOYBCLYYMFQK-LEWJYISDSA-N 0 1 395.459 3.372 20 5 GGBDMN COc1ccccc1N1CC[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000193019045 1432922933 /nfs/dbraw/zinc/92/29/33/1432922933.db2.gz BRWNMRAYHOUIMG-QZTJIDSGSA-N 0 1 381.432 3.376 20 5 GGBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1n[nH]c(COc3ccccc3)n1)CCC2 ZINC000193299707 1432975895 /nfs/dbraw/zinc/97/58/95/1432975895.db2.gz LECLMWRTMUTIJZ-SFHVURJKSA-N 0 1 379.420 3.459 20 5 GGBDMN O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193383988 1432988570 /nfs/dbraw/zinc/98/85/70/1432988570.db2.gz NTVGLXVHEMGHMB-SFHVURJKSA-N 0 1 389.371 3.091 20 5 GGBDMN COc1ccc([C@@H](CNC(=O)c2cccc(OC)c2[N+](=O)[O-])N2CCCC2)cc1 ZINC000193836535 1433069665 /nfs/dbraw/zinc/06/96/65/1433069665.db2.gz GIWVHDBBEUGEEG-GOSISDBHSA-N 0 1 399.447 3.179 20 5 GGBDMN CSc1ccc(C(=O)NC2CCN(Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000193978469 1433095165 /nfs/dbraw/zinc/09/51/65/1433095165.db2.gz TTYSHZAGPCJJGU-UHFFFAOYSA-N 0 1 386.477 3.106 20 5 GGBDMN COc1cccc(C(=O)Nc2cccc(CN3CCSCC3)c2)c1[N+](=O)[O-] ZINC000194184422 1433134064 /nfs/dbraw/zinc/13/40/64/1433134064.db2.gz BBHYZEBQFJTZFL-UHFFFAOYSA-N 0 1 387.461 3.405 20 5 GGBDMN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000194205537 1433138664 /nfs/dbraw/zinc/13/86/64/1433138664.db2.gz OXTJVFRKAXOZNM-UHFFFAOYSA-N 0 1 380.339 3.112 20 5 GGBDMN COc1cccc([C@@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)N(C)C)c1 ZINC000194277005 1433154035 /nfs/dbraw/zinc/15/40/35/1433154035.db2.gz YLRMGLUCEDNJOJ-AUUYWEPGSA-N 0 1 386.452 3.267 20 5 GGBDMN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000194345844 1433164727 /nfs/dbraw/zinc/16/47/27/1433164727.db2.gz PKLRPQVTDOZHSK-UHFFFAOYSA-N 0 1 396.293 3.370 20 5 GGBDMN CC[NH+](CC)Cc1cccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000194348791 1433165064 /nfs/dbraw/zinc/16/50/64/1433165064.db2.gz JONUYNWTYSIKDF-UHFFFAOYSA-N 0 1 395.456 3.054 20 5 GGBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000194399576 1433172229 /nfs/dbraw/zinc/17/22/29/1433172229.db2.gz QYPRGYWFMBWJAJ-IRXDYDNUSA-N 0 1 397.475 3.442 20 5 GGBDMN COc1cccc(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000194442625 1433178711 /nfs/dbraw/zinc/17/87/11/1433178711.db2.gz MHZPUMRXPHUUHX-MRXNPFEDSA-N 0 1 383.448 3.340 20 5 GGBDMN COc1cccc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000194543385 1433195227 /nfs/dbraw/zinc/19/52/27/1433195227.db2.gz LQVUYBFLSNWPSX-KRWDZBQOSA-N 0 1 383.448 3.340 20 5 GGBDMN CCn1ncc2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc21 ZINC000194690394 1433215959 /nfs/dbraw/zinc/21/59/59/1433215959.db2.gz UEPVQBVLZLUQNE-UHFFFAOYSA-N 0 1 380.813 3.419 20 5 GGBDMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000194764791 1433226920 /nfs/dbraw/zinc/22/69/20/1433226920.db2.gz JVYHBNZIRVGBNR-OAHLLOKOSA-N 0 1 391.493 3.476 20 5 GGBDMN O=C(c1ccc(F)cc1)C1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000194912220 1433263101 /nfs/dbraw/zinc/26/31/01/1433263101.db2.gz ONSXLUAYYXUFGV-UHFFFAOYSA-N 0 1 396.378 3.345 20 5 GGBDMN COc1ccccc1[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)N1CCCCC1 ZINC000195155270 1433300472 /nfs/dbraw/zinc/30/04/72/1433300472.db2.gz OLAYNDDZBVOUFJ-LJQANCHMSA-N 0 1 398.463 3.143 20 5 GGBDMN COc1cccc([C@@H](CNC(=O)c2cccc(OC)c2[N+](=O)[O-])N2CCCC2)c1 ZINC000195321688 1433318892 /nfs/dbraw/zinc/31/88/92/1433318892.db2.gz IFNFUJWEBBLXIJ-GOSISDBHSA-N 0 1 399.447 3.179 20 5 GGBDMN COc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)c1[N+](=O)[O-] ZINC000195336678 1433320266 /nfs/dbraw/zinc/32/02/66/1433320266.db2.gz CDTIXTZCUFOHDR-AWEZNQCLSA-N 0 1 375.450 3.232 20 5 GGBDMN Cc1cccc(N2CCN(CCCNC(=O)c3cc(C)cc([N+](=O)[O-])c3)CC2)c1 ZINC000195691879 1433344844 /nfs/dbraw/zinc/34/48/44/1433344844.db2.gz DURIQZBQXJXVQB-UHFFFAOYSA-N 0 1 396.491 3.154 20 5 GGBDMN Cc1cc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc([N+](=O)[O-])c1 ZINC000195694068 1433344984 /nfs/dbraw/zinc/34/49/84/1433344984.db2.gz BILGSYQHMLHVMK-IAGOWNOFSA-N 0 1 397.475 3.442 20 5 GGBDMN CC(C)Oc1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000236788959 1433378919 /nfs/dbraw/zinc/37/89/19/1433378919.db2.gz WBKOKBYGSQUIAY-UHFFFAOYSA-N 0 1 381.436 3.467 20 5 GGBDMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000237012813 1433385618 /nfs/dbraw/zinc/38/56/18/1433385618.db2.gz XNJNPLXYNQHCQP-HNNXBMFYSA-N 0 1 391.493 3.476 20 5 GGBDMN COc1cc(CNCCOc2cccc(Br)c2)c([N+](=O)[O-])cc1O ZINC000237183217 1433391728 /nfs/dbraw/zinc/39/17/28/1433391728.db2.gz KKXSPMIIAUUSOS-UHFFFAOYSA-N 0 1 397.225 3.240 20 5 GGBDMN COc1cc(CNCCOc2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1O ZINC000237185279 1433392070 /nfs/dbraw/zinc/39/20/70/1433392070.db2.gz WZRQDHZDNYTFFB-UHFFFAOYSA-N 0 1 386.326 3.496 20 5 GGBDMN C[C@@H]1CN(C(=O)c2ccc(CNCc3ccccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000237548886 1433408774 /nfs/dbraw/zinc/40/87/74/1433408774.db2.gz IGUSIAOZGCRMMG-IYBDPMFKSA-N 0 1 383.448 3.134 20 5 GGBDMN COc1ccc([C@@H]2CCN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)cc1 ZINC000246018440 1433558297 /nfs/dbraw/zinc/55/82/97/1433558297.db2.gz KJJHHYVHWIVHOL-UZLBHIALSA-N 0 1 381.432 3.198 20 5 GGBDMN Cn1cc(CN2CCN(C)C[C@H]2c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000246290026 1433590647 /nfs/dbraw/zinc/59/06/47/1433590647.db2.gz OUCWJBXBDVFILP-NRFANRHFSA-N 0 1 391.475 3.484 20 5 GGBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000246295671 1433591358 /nfs/dbraw/zinc/59/13/58/1433591358.db2.gz PFFDHJCEUWIYKZ-KXBFYZLASA-N 0 1 387.480 3.357 20 5 GGBDMN COc1ccccc1CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000246368792 1433602085 /nfs/dbraw/zinc/60/20/85/1433602085.db2.gz YDSFJLPYPDKWKZ-VQTJNVASSA-N 0 1 386.448 3.318 20 5 GGBDMN CCc1nc(C)c([C@@H](C)N(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000246524571 1433625521 /nfs/dbraw/zinc/62/55/21/1433625521.db2.gz BYYGHRIKRNRLRX-UKRRQHHQSA-N 0 1 379.482 3.355 20 5 GGBDMN CO[C@@H]1CC[C@H]2OCCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C1 ZINC000246737956 1433657993 /nfs/dbraw/zinc/65/79/93/1433657993.db2.gz ODBMIAQUXYWRET-FGTMMUONSA-N 0 1 387.436 3.061 20 5 GGBDMN CCc1nc2c(s1)[C@@H]([N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000248197651 1433779622 /nfs/dbraw/zinc/77/96/22/1433779622.db2.gz LYCHQLJDDNAEKZ-PBHICJAKSA-N 0 1 391.493 3.363 20 5 GGBDMN CCc1nc(C)c([C@@H](C)N(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000248439183 1433802897 /nfs/dbraw/zinc/80/28/97/1433802897.db2.gz CFZIDWHFRWPEKV-ZIAGYGMSSA-N 0 1 379.482 3.355 20 5 GGBDMN O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248485508 1433805703 /nfs/dbraw/zinc/80/57/03/1433805703.db2.gz DZNJOEPCXPOREO-RBUKOAKNSA-N 0 1 395.459 3.427 20 5 GGBDMN O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248533880 1433807410 /nfs/dbraw/zinc/80/74/10/1433807410.db2.gz IWHQAOWWZRPHDS-YLJYHZDGSA-N 0 1 395.459 3.427 20 5 GGBDMN CCOC(=O)[C@]1(C(C)C)CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000248734873 1433818518 /nfs/dbraw/zinc/81/85/18/1433818518.db2.gz MRTYPXHIRRUAKJ-FOIQADDNSA-N 0 1 391.468 3.141 20 5 GGBDMN CCOC(=O)[C@@]1(C(C)C)CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000248734877 1433818533 /nfs/dbraw/zinc/81/85/33/1433818533.db2.gz MRTYPXHIRRUAKJ-QRWLVFNGSA-N 0 1 391.468 3.141 20 5 GGBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000248976591 1433831347 /nfs/dbraw/zinc/83/13/47/1433831347.db2.gz HUKDUGWUJRAYCS-KGLIPLIRSA-N 0 1 378.375 3.102 20 5 GGBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000248976591 1433831348 /nfs/dbraw/zinc/83/13/48/1433831348.db2.gz HUKDUGWUJRAYCS-KGLIPLIRSA-N 0 1 378.375 3.102 20 5 GGBDMN C[C@H](N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000249021879 1433832435 /nfs/dbraw/zinc/83/24/35/1433832435.db2.gz KXVNPTCWQYCVJR-NBHSMZAVSA-N 0 1 391.374 3.320 20 5 GGBDMN CC(C)OCCCNC(=O)C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255376110 1433881781 /nfs/dbraw/zinc/88/17/81/1433881781.db2.gz IOFOYRPGWHQZHP-YVMONPNESA-N 0 1 389.496 3.251 20 5 GGBDMN CC[N@@H+](CC(=O)[O-])C1CC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000263452366 1434007019 /nfs/dbraw/zinc/00/70/19/1434007019.db2.gz AGGIWYXKNXYEJD-UHFFFAOYSA-N 0 1 389.477 3.350 20 5 GGBDMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000263469952 1434008072 /nfs/dbraw/zinc/00/80/72/1434008072.db2.gz DIVOBKZPRLNGRZ-UHFFFAOYSA-N 0 1 399.447 3.272 20 5 GGBDMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000263539192 1434012424 /nfs/dbraw/zinc/01/24/24/1434012424.db2.gz BMWPYHWZZRBONZ-UHFFFAOYSA-N 0 1 388.399 3.145 20 5 GGBDMN CC[N@@H+](CC(=O)[O-])C1CCN(c2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000263550148 1434013014 /nfs/dbraw/zinc/01/30/14/1434013014.db2.gz KEMNNSJKJKDIAJ-UHFFFAOYSA-N 0 1 389.374 3.297 20 5 GGBDMN Cc1cc(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000263562831 1434013403 /nfs/dbraw/zinc/01/34/03/1434013403.db2.gz SYKMXKVJICXKRV-UHFFFAOYSA-N 0 1 384.436 3.191 20 5 GGBDMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000263569151 1434013786 /nfs/dbraw/zinc/01/37/86/1434013786.db2.gz ZBBMUISYLQRGTL-AWEZNQCLSA-N 0 1 390.465 3.094 20 5 GGBDMN CC[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc2c(c1)OCCO2 ZINC000263666589 1434017551 /nfs/dbraw/zinc/01/75/51/1434017551.db2.gz IVKKGDABIJNUBI-QGZVFWFLSA-N 0 1 386.404 3.473 20 5 GGBDMN O=C(c1cnc[nH]1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000263667375 1434017994 /nfs/dbraw/zinc/01/79/94/1434017994.db2.gz KFRVRYVNSSUSGU-UHFFFAOYSA-N 0 1 397.460 3.004 20 5 GGBDMN Cc1c(NC(=O)[C@@H](C)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)cccc1[N+](=O)[O-] ZINC000263986266 1434057738 /nfs/dbraw/zinc/05/77/38/1434057738.db2.gz ICWZLMMGORSLSL-ZIAGYGMSSA-N 0 1 396.447 3.100 20 5 GGBDMN COc1cc([N+](=O)[O-])c(C(=O)N2CCN(C3CCCC3)CC2)cc1SC ZINC000264230987 1434084916 /nfs/dbraw/zinc/08/49/16/1434084916.db2.gz XVOWTFJVHACJJD-UHFFFAOYSA-N 0 1 379.482 3.026 20 5 GGBDMN COc1cc(CNCCOCC2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000264506982 1434121694 /nfs/dbraw/zinc/12/16/94/1434121694.db2.gz RFSBOLFMLVIINU-UHFFFAOYSA-N 0 1 378.347 3.061 20 5 GGBDMN CN(C)C(=O)C1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCC1 ZINC000264994743 1434172451 /nfs/dbraw/zinc/17/24/51/1434172451.db2.gz XXLDFCLYNSRLDK-UHFFFAOYSA-N 0 1 388.493 3.457 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1CN(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000265030571 1434176662 /nfs/dbraw/zinc/17/66/62/1434176662.db2.gz ZWIAHAIARJDFPU-UHFFFAOYSA-N 0 1 383.448 3.340 20 5 GGBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000265211570 1434200054 /nfs/dbraw/zinc/20/00/54/1434200054.db2.gz RNNMGFFOPOQPHQ-CABCVRRESA-N 0 1 396.447 3.399 20 5 GGBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000265211571 1434200557 /nfs/dbraw/zinc/20/05/57/1434200557.db2.gz RNNMGFFOPOQPHQ-GJZGRUSLSA-N 0 1 396.447 3.399 20 5 GGBDMN CCN(CC)[C@@H](CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1)c1ccco1 ZINC000265944718 1434286602 /nfs/dbraw/zinc/28/66/02/1434286602.db2.gz KPSQTULLZZAOOK-HNNXBMFYSA-N 0 1 391.424 3.018 20 5 GGBDMN CC(=O)N1CCN(c2ccccc2CN[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000266907711 1434387424 /nfs/dbraw/zinc/38/74/24/1434387424.db2.gz VLQJZQNRUDELQO-INIZCTEOSA-N 0 1 382.464 3.114 20 5 GGBDMN Cc1ccc([C@H](C)NC(=O)NC2CCN(Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000267731879 1434459316 /nfs/dbraw/zinc/45/93/16/1434459316.db2.gz NFEPLGKZEZXZIT-INIZCTEOSA-N 0 1 397.479 3.323 20 5 GGBDMN Cc1nc2sccn2c1CN(C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000268236919 1434504156 /nfs/dbraw/zinc/50/41/56/1434504156.db2.gz MFLKRJSRLBKPNF-UHFFFAOYSA-N 0 1 387.465 3.381 20 5 GGBDMN COc1ccc(NC(=O)CCN(C)Cc2nc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000268386484 1434517741 /nfs/dbraw/zinc/51/77/41/1434517741.db2.gz YBNJJJVTPMZCAA-UHFFFAOYSA-N 0 1 384.392 3.205 20 5 GGBDMN CC(=O)N1CCN(c2ccccc2CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000268815292 1434560592 /nfs/dbraw/zinc/56/05/92/1434560592.db2.gz IFIRDWPKYQXGAY-KRWDZBQOSA-N 0 1 396.491 3.423 20 5 GGBDMN CC(C)(C(=O)NC1CCN(Cc2cccnc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000269200410 1434606303 /nfs/dbraw/zinc/60/63/03/1434606303.db2.gz HNHLNGPHNNTCJL-UHFFFAOYSA-N 0 1 382.464 3.048 20 5 GGBDMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269308166 1434621297 /nfs/dbraw/zinc/62/12/97/1434621297.db2.gz XPOCUURSGPITBQ-KRWDZBQOSA-N 0 1 383.448 3.285 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC000269346179 1434628622 /nfs/dbraw/zinc/62/86/22/1434628622.db2.gz FDEHUJVVRUDMCX-ZDUSSCGKSA-N 0 1 378.816 3.308 20 5 GGBDMN COC(=O)c1ccccc1C(=O)c1ccc(NC2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000269356187 1434630416 /nfs/dbraw/zinc/63/04/16/1434630416.db2.gz LLVVESASFUZKOH-UHFFFAOYSA-N 0 1 397.431 3.119 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccco2)c1[N+](=O)[O-] ZINC000269453703 1434648303 /nfs/dbraw/zinc/64/83/03/1434648303.db2.gz GUXWMRNUBVMSKO-HNNXBMFYSA-N 0 1 398.419 3.410 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)c1[N+](=O)[O-] ZINC000269554052 1434659132 /nfs/dbraw/zinc/65/91/32/1434659132.db2.gz YPJOYWKFSWZIGI-NWDGAFQWSA-N 0 1 378.454 3.231 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)c1[N+](=O)[O-] ZINC000270224238 1434714720 /nfs/dbraw/zinc/71/47/20/1434714720.db2.gz PEUSXRDFEOPEAR-CYBMUJFWSA-N 0 1 382.424 3.096 20 5 GGBDMN CC(C)c1nc([C@@H](C)Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000270633696 1434753888 /nfs/dbraw/zinc/75/38/88/1434753888.db2.gz GEYWNAWBMRNFFM-MRVPVSSYSA-N 0 1 389.384 3.006 20 5 GGBDMN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000270840349 1434780499 /nfs/dbraw/zinc/78/04/99/1434780499.db2.gz HVDSGTWXIWKWMH-UHFFFAOYSA-N 0 1 390.343 3.328 20 5 GGBDMN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000270937211 1434789516 /nfs/dbraw/zinc/78/95/16/1434789516.db2.gz XBBXZRBKCPIYJP-GFCCVEGCSA-N 0 1 381.392 3.356 20 5 GGBDMN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1SC ZINC000271020364 1434796222 /nfs/dbraw/zinc/79/62/22/1434796222.db2.gz HTYLENMQRQIADX-VIFPVBQESA-N 0 1 379.442 3.058 20 5 GGBDMN CCOc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)nc2)cc1[N+](=O)[O-] ZINC000271024242 1434796787 /nfs/dbraw/zinc/79/67/87/1434796787.db2.gz AZJNOSXQLPPTKZ-OAHLLOKOSA-N 0 1 386.452 3.076 20 5 GGBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3COC4(CCCC4)O3)cs2)c1 ZINC000271470473 1434827434 /nfs/dbraw/zinc/82/74/34/1434827434.db2.gz VRGILSVEIJUPPA-INIZCTEOSA-N 0 1 375.450 3.494 20 5 GGBDMN CCS(=O)(=O)c1ccc(O)c(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000271595203 1434837756 /nfs/dbraw/zinc/83/77/56/1434837756.db2.gz KMAPPOMUAALDCZ-UHFFFAOYSA-N 0 1 392.433 3.010 20 5 GGBDMN C[C@@H](N[C@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000271636869 1434840875 /nfs/dbraw/zinc/84/08/75/1434840875.db2.gz ADUIUZWYAGMJAN-ZIAGYGMSSA-N 0 1 398.419 3.229 20 5 GGBDMN C[C@@H](N[C@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000271759646 1434848487 /nfs/dbraw/zinc/84/84/87/1434848487.db2.gz CJQDROHAQHOBBK-ZIAGYGMSSA-N 0 1 398.419 3.229 20 5 GGBDMN C[C@@H](N[C@@H](C)c1cccc(N2CCOC2=O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000271821851 1434852866 /nfs/dbraw/zinc/85/28/66/1434852866.db2.gz QGVKXVXZLJTBNK-UONOGXRCSA-N 0 1 398.419 3.229 20 5 GGBDMN C[C@H](N[C@@H](C)c1ccc([S@](C)=O)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000271829229 1434853205 /nfs/dbraw/zinc/85/32/05/1434853205.db2.gz QLXKIOQKLIPLJP-VXLFJPSPSA-N 0 1 375.450 3.010 20 5 GGBDMN CCC[C@H](NC[C@@](O)(c1nccn1C)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000272000566 1434864908 /nfs/dbraw/zinc/86/49/08/1434864908.db2.gz AHRBNAUHWQGPHF-GOEBONIOSA-N 0 1 386.374 3.209 20 5 GGBDMN COc1cc([N+](=O)[O-])c(C(=O)N2CCC(c3cc(C)[nH]n3)CC2)cc1SC ZINC000272224148 1434879251 /nfs/dbraw/zinc/87/92/51/1434879251.db2.gz LBAAXXAGXPQCGJ-UHFFFAOYSA-N 0 1 390.465 3.377 20 5 GGBDMN COc1cc(CN2CCC[C@@H](c3ncc[nH]3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272262566 1434882432 /nfs/dbraw/zinc/88/24/32/1434882432.db2.gz KHVZSLNDCMIKJW-GFCCVEGCSA-N 0 1 396.394 3.350 20 5 GGBDMN COc1cc(CNC[C@@H](c2ccco2)N(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272368001 1434890843 /nfs/dbraw/zinc/89/08/43/1434890843.db2.gz GDFYKAQHXZUOAH-AWEZNQCLSA-N 0 1 399.394 3.233 20 5 GGBDMN CN(C)[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000272483137 1434899546 /nfs/dbraw/zinc/89/95/46/1434899546.db2.gz CIJRMBLQPWWVKH-WOJBJXKFSA-N 0 1 397.454 3.449 20 5 GGBDMN Cc1cc(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)CC2)n[nH]1 ZINC000272496904 1434900564 /nfs/dbraw/zinc/90/05/64/1434900564.db2.gz NLHOZHNMEKDNKW-UHFFFAOYSA-N 0 1 380.351 3.248 20 5 GGBDMN CN(C)[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000272509207 1434902128 /nfs/dbraw/zinc/90/21/28/1434902128.db2.gz IRZKZFGTGBGECK-VQTJNVASSA-N 0 1 397.454 3.449 20 5 GGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000272695744 1434923630 /nfs/dbraw/zinc/92/36/30/1434923630.db2.gz RREPBBGVQWLNHL-MRXNPFEDSA-N 0 1 394.330 3.116 20 5 GGBDMN Cc1cc(N2CCC[C@@H]([C@H](O)c3nccn3C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272849914 1434935835 /nfs/dbraw/zinc/93/58/35/1434935835.db2.gz ONHDIRXKSIAVLJ-KUHUBIRLSA-N 0 1 381.436 3.135 20 5 GGBDMN Cc1cc(N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272849909 1434935851 /nfs/dbraw/zinc/93/58/51/1434935851.db2.gz ONHDIRXKSIAVLJ-AUUYWEPGSA-N 0 1 381.436 3.135 20 5 GGBDMN Cc1cc(N2CCC[C@H]([C@H](O)c3nccn3C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272849916 1434935932 /nfs/dbraw/zinc/93/59/32/1434935932.db2.gz ONHDIRXKSIAVLJ-LIRRHRJNSA-N 0 1 381.436 3.135 20 5 GGBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000273301664 1434979299 /nfs/dbraw/zinc/97/92/99/1434979299.db2.gz GYKJTXFHWQUZHE-MRXNPFEDSA-N 0 1 394.431 3.000 20 5 GGBDMN O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000273435207 1434988707 /nfs/dbraw/zinc/98/87/07/1434988707.db2.gz WUDZTKQXFLBQDT-GUYCJALGSA-N 0 1 384.367 3.260 20 5 GGBDMN O=[N+]([O-])c1cc(-c2nc([C@@H]3CN4CCC[C@H]4CO3)no2)cc(C(F)(F)F)c1 ZINC000274084283 1435042224 /nfs/dbraw/zinc/04/22/24/1435042224.db2.gz TVLLVKQASNHFOB-AAEUAGOBSA-N 0 1 384.314 3.199 20 5 GGBDMN O=[N+]([O-])c1ccc(Cl)cc1CNCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000274106715 1435044220 /nfs/dbraw/zinc/04/42/20/1435044220.db2.gz XPTRQMPVSCYPHP-UHFFFAOYSA-N 0 1 395.868 3.078 20 5 GGBDMN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000275239548 1435125051 /nfs/dbraw/zinc/12/50/51/1435125051.db2.gz FHCONDUINNETTG-PXNSSMCTSA-N 0 1 388.468 3.352 20 5 GGBDMN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](n3c(C)nc4c3CCCC4)C2)c1 ZINC000275448928 1435139951 /nfs/dbraw/zinc/13/99/51/1435139951.db2.gz WBFCKTDCQAKCSY-AWEZNQCLSA-N 0 1 384.436 3.074 20 5 GGBDMN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](n3c(C)nc4c3CCCC4)C2)c1 ZINC000275448931 1435139969 /nfs/dbraw/zinc/13/99/69/1435139969.db2.gz WBFCKTDCQAKCSY-CQSZACIVSA-N 0 1 384.436 3.074 20 5 GGBDMN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cccc(CN2CCCC2)c1 ZINC000276044840 1435187481 /nfs/dbraw/zinc/18/74/81/1435187481.db2.gz HLLIYXRQJFQAHG-UHFFFAOYSA-N 0 1 389.477 3.206 20 5 GGBDMN CCOc1cc(CN[C@@H](C)c2ccc(OCC(=O)OC)cc2)ccc1[N+](=O)[O-] ZINC000276903939 1435241695 /nfs/dbraw/zinc/24/16/95/1435241695.db2.gz MAPFXXIGNKMDOE-AWEZNQCLSA-N 0 1 388.420 3.396 20 5 GGBDMN Cc1noc(C[C@H](N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000277229693 1435281641 /nfs/dbraw/zinc/28/16/41/1435281641.db2.gz GPHSVRBTMXWJGP-ACJLOTCBSA-N 0 1 395.419 3.187 20 5 GGBDMN Cc1noc(C[C@@H](N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277432740 1435304368 /nfs/dbraw/zinc/30/43/68/1435304368.db2.gz QDQFASZJCRIRMR-SCLBCKFNSA-N 0 1 395.419 3.187 20 5 GGBDMN CCc1[nH]nc(C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000278055988 1435354442 /nfs/dbraw/zinc/35/44/42/1435354442.db2.gz XNKRGYVNHYZXFU-HIFRSBDPSA-N 0 1 376.388 3.012 20 5 GGBDMN Cn1nccc1N1CCC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000278106529 1435360116 /nfs/dbraw/zinc/36/01/16/1435360116.db2.gz AVKITHUJJWUTPN-OAHLLOKOSA-N 0 1 398.492 3.210 20 5 GGBDMN Cc1[nH]ncc1CCCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278160565 1435365105 /nfs/dbraw/zinc/36/51/05/1435365105.db2.gz AHBXWQQKJYQTHF-UHFFFAOYSA-N 0 1 385.346 3.077 20 5 GGBDMN CC(C)c1ccc(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000278476152 1435393828 /nfs/dbraw/zinc/39/38/28/1435393828.db2.gz JZFHSQKUYSCUOE-OAHLLOKOSA-N 0 1 375.469 3.044 20 5 GGBDMN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC1CCN(Cc2ccccn2)CC1 ZINC000278502684 1435395473 /nfs/dbraw/zinc/39/54/73/1435395473.db2.gz XJHRLNYZZIHBLN-UHFFFAOYSA-N 0 1 381.358 3.480 20 5 GGBDMN O=C1[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCN1Cc1ccccn1 ZINC000278863140 1435432608 /nfs/dbraw/zinc/43/26/08/1435432608.db2.gz WLPBXHLBNVSPDV-UXHICEINSA-N 0 1 380.448 3.148 20 5 GGBDMN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000279132506 1435463751 /nfs/dbraw/zinc/46/37/51/1435463751.db2.gz BZGRCMMKNHIUEJ-UHFFFAOYSA-N 0 1 390.440 3.117 20 5 GGBDMN NC(=O)c1ccc(CN(Cc2ccc(F)cc2)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000279151741 1435465572 /nfs/dbraw/zinc/46/55/72/1435465572.db2.gz AMRIFWVWIXYPHT-UHFFFAOYSA-N 0 1 387.411 3.014 20 5 GGBDMN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279409020 1435496052 /nfs/dbraw/zinc/49/60/52/1435496052.db2.gz KHBGHKZRVNKGOE-AWEZNQCLSA-N 0 1 386.427 3.053 20 5 GGBDMN COc1cc(CN(C)CCCCCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000279424088 1435497836 /nfs/dbraw/zinc/49/78/36/1435497836.db2.gz NMTFKIFVRMCZMK-UHFFFAOYSA-N 0 1 380.363 3.139 20 5 GGBDMN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCN1Cc1ccccc1 ZINC000279531142 1435510211 /nfs/dbraw/zinc/51/02/11/1435510211.db2.gz VYNBHOIAFXHXKX-CQSZACIVSA-N 0 1 386.427 3.053 20 5 GGBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000280613014 1435689502 /nfs/dbraw/zinc/68/95/02/1435689502.db2.gz ZESFMTYXGWRTPR-IUCAKERBSA-N 0 1 383.811 3.439 20 5 GGBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000280613005 1435689705 /nfs/dbraw/zinc/68/97/05/1435689705.db2.gz ZESFMTYXGWRTPR-DTWKUNHWSA-N 0 1 383.811 3.439 20 5 GGBDMN CN(C(=O)[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1)c1ccccc1 ZINC000280709076 1435707664 /nfs/dbraw/zinc/70/76/64/1435707664.db2.gz HJSMNVWJEUTAAG-CQSZACIVSA-N 0 1 380.404 3.221 20 5 GGBDMN CC[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280793393 1435721479 /nfs/dbraw/zinc/72/14/79/1435721479.db2.gz HRXGVKLPYDMYLI-INIZCTEOSA-N 0 1 397.884 3.397 20 5 GGBDMN Cc1ccc([C@@H](NCCOc2ccccc2[N+](=O)[O-])[C@H](C)S(C)(=O)=O)cc1 ZINC000280818984 1435725777 /nfs/dbraw/zinc/72/57/77/1435725777.db2.gz NANLKICSBSQPFV-KXBFYZLASA-N 0 1 392.477 3.046 20 5 GGBDMN O=c1[nH]c(N2CCCN(Cc3ccc(F)cc3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000281000434 1435754189 /nfs/dbraw/zinc/75/41/89/1435754189.db2.gz PMXSETOWEZCMQL-UHFFFAOYSA-N 0 1 397.410 3.095 20 5 GGBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1cccc(OC)c1)N(C)C ZINC000281172723 1435789276 /nfs/dbraw/zinc/78/92/76/1435789276.db2.gz MVYWCRZGOPJRTI-QGZVFWFLSA-N 0 1 387.436 3.035 20 5 GGBDMN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)n1 ZINC000281218243 1435798640 /nfs/dbraw/zinc/79/86/40/1435798640.db2.gz QXDVZVAZLBUFCZ-ZDUSSCGKSA-N 0 1 395.419 3.345 20 5 GGBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000281930369 1435827270 /nfs/dbraw/zinc/82/72/70/1435827270.db2.gz KMADEBJSDOVQBZ-UHFFFAOYSA-N 0 1 399.451 3.175 20 5 GGBDMN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ncsc1C(F)(F)F ZINC000282610318 1435853524 /nfs/dbraw/zinc/85/35/24/1435853524.db2.gz HHGDVSCSSPDLQU-UHFFFAOYSA-N 0 1 389.311 3.484 20 5 GGBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)c1 ZINC000282747580 1435858808 /nfs/dbraw/zinc/85/88/08/1435858808.db2.gz BTFCGGOSJLDQMP-GOSISDBHSA-N 0 1 375.400 3.165 20 5 GGBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(N3CCC[NH+]=C3[O-])c2)c1 ZINC000282891342 1435864962 /nfs/dbraw/zinc/86/49/62/1435864962.db2.gz SLNNBRHNUUMOFU-UHFFFAOYSA-N 0 1 384.392 3.166 20 5 GGBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000284157670 1436000441 /nfs/dbraw/zinc/00/04/41/1436000441.db2.gz PWMYBZMEWHNFBY-RDJZCZTQSA-N 0 1 379.319 3.401 20 5 GGBDMN O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCCCC2)cc1-c1nnn[n-]1 ZINC000826498720 1442006684 /nfs/dbraw/zinc/00/66/84/1442006684.db2.gz GZDAUAMJBYFXFB-UHFFFAOYSA-N 0 1 393.451 3.373 20 5 GGBDMN C[N@H+]1CCC[C@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000821623494 1442388340 /nfs/dbraw/zinc/38/83/40/1442388340.db2.gz MBRYVEQOBQKTGK-DYVFJYSZSA-N 0 1 399.480 3.331 20 5 GGBDMN O=[N+]([O-])c1ccc(N[C@@H](C[NH+]2CCCCC2)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823640125 1443220810 /nfs/dbraw/zinc/22/08/10/1443220810.db2.gz ULEHHSSQIWLSSS-IBGZPJMESA-N 0 1 393.451 3.414 20 5 GGBDMN COc1cc(C[N@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)ccc1[N+](=O)[O-] ZINC000826179179 1443715335 /nfs/dbraw/zinc/71/53/35/1443715335.db2.gz CMVCVZOWEFYXDW-UHFFFAOYSA-N 0 1 392.419 3.073 20 5 GGBDMN COc1cc(C[N@@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)ccc1[N+](=O)[O-] ZINC000826179179 1443715339 /nfs/dbraw/zinc/71/53/39/1443715339.db2.gz CMVCVZOWEFYXDW-UHFFFAOYSA-N 0 1 392.419 3.073 20 5 GGBDMN CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821230545 1443945842 /nfs/dbraw/zinc/94/58/42/1443945842.db2.gz NADAFGMLJACLJW-LBPRGKRZSA-N 0 1 393.407 3.499 20 5 GGBDMN CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821230545 1443945847 /nfs/dbraw/zinc/94/58/47/1443945847.db2.gz NADAFGMLJACLJW-LBPRGKRZSA-N 0 1 393.407 3.499 20 5 GGBDMN C[C@@H]([NH2+]CCSCc1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000820427244 1446843458 /nfs/dbraw/zinc/84/34/58/1446843458.db2.gz QOMCCWQJALNLLG-CYBMUJFWSA-N 0 1 384.465 3.359 20 5 GGBDMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820761583 1446980536 /nfs/dbraw/zinc/98/05/36/1446980536.db2.gz XZMWROBTNWSFRN-WMLDXEAASA-N 0 1 393.451 3.097 20 5 GGBDMN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820761583 1446980539 /nfs/dbraw/zinc/98/05/39/1446980539.db2.gz XZMWROBTNWSFRN-WMLDXEAASA-N 0 1 393.451 3.097 20 5 GGBDMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820761583 1446980540 /nfs/dbraw/zinc/98/05/40/1446980540.db2.gz XZMWROBTNWSFRN-WMLDXEAASA-N 0 1 393.451 3.097 20 5 GGBDMN C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000820669140 1447164073 /nfs/dbraw/zinc/16/40/73/1447164073.db2.gz YWQMNHCEGRZQAP-WMLDXEAASA-N 0 1 393.451 3.240 20 5 GGBDMN C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000820669140 1447164074 /nfs/dbraw/zinc/16/40/74/1447164074.db2.gz YWQMNHCEGRZQAP-WMLDXEAASA-N 0 1 393.451 3.240 20 5 GGBDMN C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000820669140 1447164077 /nfs/dbraw/zinc/16/40/77/1447164077.db2.gz YWQMNHCEGRZQAP-WMLDXEAASA-N 0 1 393.451 3.240 20 5 GGBDMN C[C@H]1CCCC[N@H+]1Cc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000824941636 1449267563 /nfs/dbraw/zinc/26/75/63/1449267563.db2.gz ZHVSNLCMQXNTRU-ZDUSSCGKSA-N 0 1 394.439 3.288 20 5 GGBDMN C[C@H]1CCCC[N@@H+]1Cc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000824941636 1449267571 /nfs/dbraw/zinc/26/75/71/1449267571.db2.gz ZHVSNLCMQXNTRU-ZDUSSCGKSA-N 0 1 394.439 3.288 20 5 GGBDMN C[C@H]1CCCC[N@H+]1Cc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000824941636 1449267575 /nfs/dbraw/zinc/26/75/75/1449267575.db2.gz ZHVSNLCMQXNTRU-ZDUSSCGKSA-N 0 1 394.439 3.288 20 5 GGBDMN C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820420363 1450151456 /nfs/dbraw/zinc/15/14/56/1450151456.db2.gz PPDQFEPWFHTSQN-AWEZNQCLSA-N 0 1 393.451 3.095 20 5 GGBDMN C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H]1c1ccc(Cl)cc1 ZINC000826029589 1450427323 /nfs/dbraw/zinc/42/73/23/1450427323.db2.gz UMILIOIGDGJIPR-SJORKVTESA-N 0 1 399.842 3.286 20 5 GGBDMN CCc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)[NH+](C)C)cc1 ZINC000825704069 1450504551 /nfs/dbraw/zinc/50/45/51/1450504551.db2.gz CBQFWUXFIPAKMY-SFHVURJKSA-N 0 1 381.440 3.052 20 5 GGBDMN CC(C)N(C)Cc1cnc2n1CCN(c1ncc([N+](=O)[O-])cc1Cl)[C@H]2C ZINC001164854860 720924706 /nfs/dbraw/zinc/92/47/06/720924706.db2.gz GIFSJTJCVNLQHO-LBPRGKRZSA-N 0 1 378.864 3.261 20 5 GGBDMN CC(C)N(C)Cc1cnc2n1CCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)[C@H]2C ZINC001164863586 720982209 /nfs/dbraw/zinc/98/22/09/720982209.db2.gz WWODILWKGUJQEU-ZDUSSCGKSA-N 0 1 383.456 3.089 20 5 GGBDMN CC(C)N(C)Cc1cnc2n1CCN(c1ncnc3cccc([N+](=O)[O-])c31)[C@@H]2C ZINC001164858837 721017355 /nfs/dbraw/zinc/01/73/55/721017355.db2.gz HTCFDEYUOHWQQR-CQSZACIVSA-N 0 1 395.467 3.156 20 5 GGBDMN O=[N+]([O-])c1cc(Cl)cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164896281 721511542 /nfs/dbraw/zinc/51/15/42/721511542.db2.gz AMYLWLMBOISGNN-GDBMZVCRSA-N 0 1 392.818 3.124 20 5 GGBDMN O=[N+]([O-])c1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)c1 ZINC001164901065 721511763 /nfs/dbraw/zinc/51/17/63/721511763.db2.gz WHNLTSUTKORLOK-GOEBONIOSA-N 0 1 392.818 3.124 20 5 GGBDMN O=[N+]([O-])c1cnc(Cl)cc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164901032 721518498 /nfs/dbraw/zinc/51/84/98/721518498.db2.gz WBMIKSOHWDGTAO-HIFRSBDPSA-N 0 1 392.818 3.124 20 5 GGBDMN O=[N+]([O-])c1cnc(Cl)cc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164901030 721519200 /nfs/dbraw/zinc/51/92/00/721519200.db2.gz WBMIKSOHWDGTAO-DZGCQCFKSA-N 0 1 392.818 3.124 20 5 GGBDMN O=[N+]([O-])c1cnc(Cl)cc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164901035 721519712 /nfs/dbraw/zinc/51/97/12/721519712.db2.gz WBMIKSOHWDGTAO-ZFWWWQNUSA-N 0 1 392.818 3.124 20 5 GGBDMN O=[N+]([O-])c1c(Cl)ccc2nc(N3CCN(C[C@@H]4CCCO4)CC3)ccc21 ZINC001165040150 721912105 /nfs/dbraw/zinc/91/21/05/721912105.db2.gz YREJRTBZQLGYBE-ZDUSSCGKSA-N 0 1 376.844 3.097 20 5 GGBDMN Cc1ccc(CN2CCOC3(CCN(c4ncc(C)cc4[N+](=O)[O-])CC3)C2)cc1 ZINC001164937843 721921170 /nfs/dbraw/zinc/92/11/70/721921170.db2.gz GCZUUFUSPJHEFC-UHFFFAOYSA-N 0 1 396.491 3.478 20 5 GGBDMN Cc1cc(N2CCN(CCc3ccccn3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001165053264 722010342 /nfs/dbraw/zinc/01/03/42/722010342.db2.gz DKFFFMIAGZXESR-UHFFFAOYSA-N 0 1 377.448 3.211 20 5 GGBDMN O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001164968272 722077751 /nfs/dbraw/zinc/07/77/51/722077751.db2.gz YYNOFJBBRCANSD-GASCZTMLSA-N 0 1 388.855 3.096 20 5 GGBDMN CC[C@@]1(C(=O)[O-])CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001589604334 949220663 /nfs/dbraw/zinc/22/06/63/949220663.db2.gz BCGINDCICCUOAQ-PIGZYNQJSA-N 0 1 383.832 3.152 20 5 GGBDMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001589604334 949220683 /nfs/dbraw/zinc/22/06/83/949220683.db2.gz BCGINDCICCUOAQ-PIGZYNQJSA-N 0 1 383.832 3.152 20 5 GGBDMN O=C([O-])C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001594987254 951024395 /nfs/dbraw/zinc/02/43/95/951024395.db2.gz WENUUPSMWVFCHV-NSHDSACASA-N 0 1 380.788 3.127 20 5 GGBDMN O=C([O-])CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCOCC1 ZINC001595056071 951500320 /nfs/dbraw/zinc/50/03/20/951500320.db2.gz VQRBPRKNZYETOS-UHFFFAOYSA-N 0 1 377.224 3.357 20 5 GGBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCC[C@@H]2C(=O)[O-])cc1OC ZINC000566354205 953625247 /nfs/dbraw/zinc/62/52/47/953625247.db2.gz QHJNMHIWDMYGAC-UKRRQHHQSA-N 0 1 380.441 3.467 20 5 GGBDMN COc1cc(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])c([N+](=O)[O-])cc1OCC(F)F ZINC000593744294 953755236 /nfs/dbraw/zinc/75/52/36/953755236.db2.gz CMZJLSKJDUIHQG-GFCCVEGCSA-N 0 1 388.367 3.077 20 5 GGBDMN O=C([O-])[C@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001594844394 954121705 /nfs/dbraw/zinc/12/17/05/954121705.db2.gz ZMJIFSQMAQXYMM-CQSZACIVSA-N 0 1 383.173 3.412 20 5 GGBDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001593755330 954447410 /nfs/dbraw/zinc/44/74/10/954447410.db2.gz HKIBCLYEQJVCTL-MRXNPFEDSA-N 0 1 387.436 3.163 20 5 GGBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@]2(C)C(=O)[O-])cc1OC ZINC001589458861 954856085 /nfs/dbraw/zinc/85/60/85/954856085.db2.gz NUTWVBVXZKAWOX-ORAYPTAESA-N 0 1 380.441 3.467 20 5 GGBDMN C[C@@]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001589128229 956177520 /nfs/dbraw/zinc/17/75/20/956177520.db2.gz FIQHJEZIENTEIS-INIZCTEOSA-N 0 1 379.210 3.447 20 5 GGBDMN C[C@]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)(C(=O)[O-])c1ccccc1 ZINC001589128238 956178032 /nfs/dbraw/zinc/17/80/32/956178032.db2.gz FPEOESUIHSJEJP-MRXNPFEDSA-N 0 1 379.210 3.447 20 5 GGBDMN C[C@]([NH2+]Cc1ccc([N+](=O)[O-])cc1Br)(C(=O)[O-])c1ccccc1 ZINC001603250589 972420926 /nfs/dbraw/zinc/42/09/26/972420926.db2.gz GICMZWLYZDGLRI-MRXNPFEDSA-N 0 1 379.210 3.447 20 5 GGBDMN Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000263351749 962505636 /nfs/dbraw/zinc/50/56/36/962505636.db2.gz PYSQEBLBIWBMTC-IDHHARJASA-N 0 1 397.431 3.236 20 5 GGBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000263576667 962742564 /nfs/dbraw/zinc/74/25/64/962742564.db2.gz QREGNYQHADZVQC-IBGZPJMESA-N 0 1 397.431 3.380 20 5 GGBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000363849416 968056391 /nfs/dbraw/zinc/05/63/91/968056391.db2.gz GTIOGSYLQIDOGN-CQSZACIVSA-N 0 1 397.431 3.500 20 5 GGBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001603290928 972550147 /nfs/dbraw/zinc/55/01/47/972550147.db2.gz ZICAEKQNULISPX-SJKOYZFVSA-N 0 1 394.387 3.390 20 5 GGBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001603290928 972550159 /nfs/dbraw/zinc/55/01/59/972550159.db2.gz ZICAEKQNULISPX-SJKOYZFVSA-N 0 1 394.387 3.390 20 5 GGBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001603290929 972550721 /nfs/dbraw/zinc/55/07/21/972550721.db2.gz ZICAEKQNULISPX-YVEFUNNKSA-N 0 1 394.387 3.390 20 5 GGBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001603290929 972550729 /nfs/dbraw/zinc/55/07/29/972550729.db2.gz ZICAEKQNULISPX-YVEFUNNKSA-N 0 1 394.387 3.390 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001605309891 973130736 /nfs/dbraw/zinc/13/07/36/973130736.db2.gz QXMFWURDWQGMBO-ZWKOTPCHSA-N 0 1 397.431 3.032 20 5 GGBDMN C[N@H+]1CCC[C@@H](CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000517378798 974316997 /nfs/dbraw/zinc/31/69/97/974316997.db2.gz VMJCPKRSYBFJHD-NHYWBVRUSA-N 0 1 376.438 3.245 20 5 GGBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000518381465 974322226 /nfs/dbraw/zinc/32/22/26/974322226.db2.gz SDIHVQHOCZNCLI-CXAGYDPISA-N 0 1 384.436 3.319 20 5 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GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000123683976 564458071 /nfs/dbraw/zinc/45/80/71/564458071.db2.gz FECINKVZSNOYSV-LBPRGKRZSA-N 0 1 386.401 3.388 20 5 GGBDMN CSCC[C@@H](C)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000126313492 564544823 /nfs/dbraw/zinc/54/48/23/564544823.db2.gz KHJODYGSLQVZBB-SNVBAGLBSA-N 0 1 390.303 3.369 20 5 GGBDMN COc1cc(CN(C)[C@@H]2CCSC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000130551925 564686224 /nfs/dbraw/zinc/68/62/24/564686224.db2.gz QEAIFBKXXMSUSY-LLVKDONJSA-N 0 1 380.388 3.482 20 5 GGBDMN CC(=O)Nc1ccc(F)c(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000131253029 564706240 /nfs/dbraw/zinc/70/62/40/564706240.db2.gz JBMXCXQVKKWRGQ-UHFFFAOYSA-N 0 1 387.776 3.147 20 5 GGBDMN Cc1ccc(NC(=O)c2cc(Cl)ccc2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000064479481 564730825 /nfs/dbraw/zinc/73/08/25/564730825.db2.gz CIQXNWJOFNQTBO-UHFFFAOYSA-N 0 1 383.813 3.180 20 5 GGBDMN Cc1[nH]nc(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC000067190260 564786772 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3.188 20 5 GGBDMN O=C(NCc1cc(F)ccc1Br)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000516005073 566742211 /nfs/dbraw/zinc/74/22/11/566742211.db2.gz SQNDGWSTGZLYLO-UHFFFAOYSA-N 0 1 393.172 3.303 20 5 GGBDMN Cc1c(Br)c(N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000488718522 566742458 /nfs/dbraw/zinc/74/24/58/566742458.db2.gz UYJUGJYTSOSWQE-GMXVVIOVSA-N 0 1 383.290 3.227 20 5 GGBDMN O=[N+]([O-])c1ccc2[nH]c(=N[C@H](CO)c3ccc(Br)cc3)ccc2c1 ZINC000488993568 566762043 /nfs/dbraw/zinc/76/20/43/566762043.db2.gz CDLCKXHEKXCMDT-MRXNPFEDSA-N 0 1 388.221 3.473 20 5 GGBDMN COCCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000516410947 566763305 /nfs/dbraw/zinc/76/33/05/566763305.db2.gz NSEXZTHTIOGGGJ-UHFFFAOYSA-N 0 1 386.813 3.074 20 5 GGBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(F)c(Br)c2)cc1 ZINC000541999906 566767846 /nfs/dbraw/zinc/76/78/46/566767846.db2.gz CWGRBXFPLMPRCX-UHFFFAOYSA-N 0 1 375.175 3.297 20 5 GGBDMN CCOc1ccc2nc(Sc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])[nH]c2c1 ZINC000542103919 566775028 /nfs/dbraw/zinc/77/50/28/566775028.db2.gz RIGQEBOMVCQPKT-UHFFFAOYSA-N 0 1 399.475 3.486 20 5 GGBDMN COC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1Cl ZINC000609819668 566788207 /nfs/dbraw/zinc/78/82/07/566788207.db2.gz VYFOUKYSUKPCJO-UHFFFAOYSA-N 0 1 384.797 3.144 20 5 GGBDMN CO[C@H](C)CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000610134147 566809503 /nfs/dbraw/zinc/80/95/03/566809503.db2.gz OEMGTOPPZVQIIS-LLVKDONJSA-N 0 1 388.262 3.041 20 5 GGBDMN O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000517497621 566828322 /nfs/dbraw/zinc/82/83/22/566828322.db2.gz MPRSZHGPOSTTDR-LSDHHAIUSA-N 0 1 377.194 3.349 20 5 GGBDMN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2cccc(F)c2)c1 ZINC000517483901 566829521 /nfs/dbraw/zinc/82/95/21/566829521.db2.gz BNUDHTYFCXUKIC-UHFFFAOYSA-N 0 1 375.175 3.297 20 5 GGBDMN CC(C)[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ncc[nH]1 ZINC000451542727 566836265 /nfs/dbraw/zinc/83/62/65/566836265.db2.gz AARQQZOEEXCZDS-LLVKDONJSA-N 0 1 393.252 3.300 20 5 GGBDMN CS(=O)(=O)c1ccc(CNC/C=C\c2ccccc2[N+](=O)[O-])cc1Cl ZINC000428534503 566851921 /nfs/dbraw/zinc/85/19/21/566851921.db2.gz IPMBQFLMNSKZAE-XQRVVYSFSA-N 0 1 380.853 3.455 20 5 GGBDMN CS(=O)(=O)c1ccc(CNC/C=C/c2ccccc2[N+](=O)[O-])cc1Cl ZINC000428534502 566853017 /nfs/dbraw/zinc/85/30/17/566853017.db2.gz IPMBQFLMNSKZAE-GQCTYLIASA-N 0 1 380.853 3.455 20 5 GGBDMN CCN1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C[C@@H]1C ZINC000611084548 566887658 /nfs/dbraw/zinc/88/76/58/566887658.db2.gz CSPMVFQXOQPLSE-NSHDSACASA-N 0 1 379.258 3.436 20 5 GGBDMN CCN1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C[C@H]1C ZINC000611084547 566888212 /nfs/dbraw/zinc/88/82/12/566888212.db2.gz CSPMVFQXOQPLSE-LLVKDONJSA-N 0 1 379.258 3.436 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC000543593773 566893320 /nfs/dbraw/zinc/89/33/20/566893320.db2.gz KALXWUHXIDEYSJ-QGZVFWFLSA-N 0 1 380.853 3.299 20 5 GGBDMN O=[N+]([O-])c1ccccc1OCCN[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000429038543 566904262 /nfs/dbraw/zinc/90/42/62/566904262.db2.gz WZIPWDIBFWFHBU-AWEZNQCLSA-N 0 1 399.216 3.198 20 5 GGBDMN Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2)cc1[N+](=O)[O-] ZINC000491583249 566910754 /nfs/dbraw/zinc/91/07/54/566910754.db2.gz HPIDKFHORVOTRD-UHFFFAOYSA-N 0 1 375.328 3.426 20 5 GGBDMN CCn1cc([C@@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cn1 ZINC000452012400 566922650 /nfs/dbraw/zinc/92/26/50/566922650.db2.gz XPBOCONNDFKUKJ-MRVPVSSYSA-N 0 1 393.252 3.158 20 5 GGBDMN CC(=O)NCCN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000519157579 566924026 /nfs/dbraw/zinc/92/40/26/566924026.db2.gz GOBBGYXOXZFZPN-UHFFFAOYSA-N 0 1 396.241 3.185 20 5 GGBDMN O=C(NCCCc1cccc(Br)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611556268 566927387 /nfs/dbraw/zinc/92/73/87/566927387.db2.gz ISTMYSDIAOZOPT-UHFFFAOYSA-N 0 1 379.210 3.426 20 5 GGBDMN CN(C)CCN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000429406477 566929170 /nfs/dbraw/zinc/92/91/70/566929170.db2.gz PDUGFPOWTGGYEW-UHFFFAOYSA-N 0 1 389.905 3.133 20 5 GGBDMN C[C@@H]1C[C@@H](CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000544101930 566939620 /nfs/dbraw/zinc/93/96/20/566939620.db2.gz UUOWMVPEUVJPHG-ZJUUUORDSA-N 0 1 397.280 3.385 20 5 GGBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1cc(F)ccc1Br ZINC000564118853 566946770 /nfs/dbraw/zinc/94/67/70/566946770.db2.gz RSKSWMPXYBJJQZ-CYBMUJFWSA-N 0 1 399.216 3.026 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCSCc1ccccc1F ZINC000519890199 566977425 /nfs/dbraw/zinc/97/74/25/566977425.db2.gz MPUNCDOLGPYOEZ-UHFFFAOYSA-N 0 1 388.417 3.085 20 5 GGBDMN CC(C)n1nc2c(c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CCC2 ZINC000471906675 566985784 /nfs/dbraw/zinc/98/57/84/566985784.db2.gz KJFXVUNCFRYEHC-UHFFFAOYSA-N 0 1 384.845 3.315 20 5 GGBDMN CCC(O)(CC)CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000472208252 567009848 /nfs/dbraw/zinc/00/98/48/567009848.db2.gz RBBLVDRTGSEGAQ-UHFFFAOYSA-N 0 1 385.269 3.121 20 5 GGBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)c1[N+](=O)[O-] ZINC000452843602 567023244 /nfs/dbraw/zinc/02/32/44/567023244.db2.gz JJIFWOAPWIKSHS-LLVKDONJSA-N 0 1 379.214 3.019 20 5 GGBDMN COCCC(C)(C)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000546076375 567103020 /nfs/dbraw/zinc/10/30/20/567103020.db2.gz OAYLHLIPBMCEFQ-UHFFFAOYSA-N 0 1 385.269 3.243 20 5 GGBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])n2)o1 ZINC000497740021 567120970 /nfs/dbraw/zinc/12/09/70/567120970.db2.gz RXHZQKSRPNURFW-UHFFFAOYSA-N 0 1 392.169 3.296 20 5 GGBDMN Cc1[nH]nc(C(=O)N(Cc2cccc(Br)c2)C2CC2)c1[N+](=O)[O-] ZINC000522927722 567137713 /nfs/dbraw/zinc/13/77/13/567137713.db2.gz XZJDQRCJIAEJKP-UHFFFAOYSA-N 0 1 379.214 3.194 20 5 GGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCc2c(Br)ccc(F)c2C1 ZINC000546749094 567153270 /nfs/dbraw/zinc/15/32/70/567153270.db2.gz TUHFCFYQBPSONJ-UHFFFAOYSA-N 0 1 395.184 3.401 20 5 GGBDMN C[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1cccnc1 ZINC000589257945 567169581 /nfs/dbraw/zinc/16/95/81/567169581.db2.gz HQVMVSWLBXRXEQ-SNVBAGLBSA-N 0 1 383.189 3.445 20 5 GGBDMN CN(CCOC(C)(C)C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589255587 567170203 /nfs/dbraw/zinc/17/02/03/567170203.db2.gz UDDJAXJKISFWGA-UHFFFAOYSA-N 0 1 392.237 3.446 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCc2sc(Cl)cc21 ZINC000589236455 567170221 /nfs/dbraw/zinc/17/02/21/567170221.db2.gz BMYPNWYCEGQKGJ-VIFPVBQESA-N 0 1 376.818 3.415 20 5 GGBDMN COc1ccc(CNc2nc3ccc(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000566600554 567171981 /nfs/dbraw/zinc/17/19/81/567171981.db2.gz RENKNNMKSBRTOI-UHFFFAOYSA-N 0 1 377.198 3.276 20 5 GGBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2cc(Br)ccc2F)c1 ZINC000566632474 567174973 /nfs/dbraw/zinc/17/49/73/567174973.db2.gz FVWVYEHOOUUDOS-AWEZNQCLSA-N 0 1 399.216 3.026 20 5 GGBDMN CCN1C[C@@H](C)N(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000498550681 567185963 /nfs/dbraw/zinc/18/59/63/567185963.db2.gz QSUOGXCFBJJIRI-GHMZBOCLSA-N 0 1 384.274 3.220 20 5 GGBDMN CCN1C[C@H](C)N(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000498550687 567186313 /nfs/dbraw/zinc/18/63/13/567186313.db2.gz QSUOGXCFBJJIRI-QWRGUYRKSA-N 0 1 384.274 3.220 20 5 GGBDMN C[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000525184707 567232529 /nfs/dbraw/zinc/23/25/29/567232529.db2.gz MOTDWFFEHDXEHZ-ZETCQYMHSA-N 0 1 394.211 3.475 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000525386562 567245501 /nfs/dbraw/zinc/24/55/01/567245501.db2.gz WJTCSGGJGGVMPJ-PELKAZGASA-N 0 1 388.779 3.361 20 5 GGBDMN O=C(NC1(c2ccc(Br)cc2)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000475599118 567260542 /nfs/dbraw/zinc/26/05/42/567260542.db2.gz ACRWWCIEKZAART-UHFFFAOYSA-N 0 1 377.194 3.482 20 5 GGBDMN CN(Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000567795713 567279188 /nfs/dbraw/zinc/27/91/88/567279188.db2.gz KASYVMZZQXUVTF-AWEZNQCLSA-N 0 1 390.221 3.200 20 5 GGBDMN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000475833480 567280722 /nfs/dbraw/zinc/28/07/22/567280722.db2.gz MWUBFIPGONHICF-UHFFFAOYSA-N 0 1 380.275 3.433 20 5 GGBDMN O=C(N[C@H]1C[C@@H]1c1cccc(Br)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000548123522 567281300 /nfs/dbraw/zinc/28/13/00/567281300.db2.gz MPRSZHGPOSTTDR-CABCVRRESA-N 0 1 377.194 3.349 20 5 GGBDMN O=C(N[C@@H]1C[C@@H]1c1cccc(Br)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000548123524 567281991 /nfs/dbraw/zinc/28/19/91/567281991.db2.gz MPRSZHGPOSTTDR-HUUCEWRRSA-N 0 1 377.194 3.349 20 5 GGBDMN CC(=O)Nc1ccc(Br)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000475926747 567287425 /nfs/dbraw/zinc/28/74/25/567287425.db2.gz BQIZHLQUCFJRDB-UHFFFAOYSA-N 0 1 394.181 3.274 20 5 GGBDMN O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)[nH]n2)c1 ZINC000434964675 567336127 /nfs/dbraw/zinc/33/61/27/567336127.db2.gz BPFYKDVNXGQGGO-UHFFFAOYSA-N 0 1 378.797 3.439 20 5 GGBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Cl)c(CN(C)C)c1 ZINC000500782584 567344112 /nfs/dbraw/zinc/34/41/12/567344112.db2.gz VZZYEGUORALFQV-UHFFFAOYSA-N 0 1 383.857 3.419 20 5 GGBDMN Cc1c(NC(=O)N2CCN(C)[C@@H](C(C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435331216 567355984 /nfs/dbraw/zinc/35/59/84/567355984.db2.gz ZHCIPKHCNXLRQR-OAHLLOKOSA-N 0 1 399.289 3.470 20 5 GGBDMN Cc1c(NC(=O)N2CCN(C)[C@H](C(C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435331215 567356081 /nfs/dbraw/zinc/35/60/81/567356081.db2.gz ZHCIPKHCNXLRQR-HNNXBMFYSA-N 0 1 399.289 3.470 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000435602878 567378248 /nfs/dbraw/zinc/37/82/48/567378248.db2.gz GIALWXWVXDZLKD-TVQRCGJNSA-N 0 1 388.779 3.361 20 5 GGBDMN COc1cccc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)c1[N+](=O)[O-] ZINC000435823945 567391473 /nfs/dbraw/zinc/39/14/73/567391473.db2.gz BUMNWWVFKYTLBB-UHFFFAOYSA-N 0 1 391.181 3.495 20 5 GGBDMN Cc1c(Br)cc(C(=O)N2[C@H](C)C[N@@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000593189321 567394126 /nfs/dbraw/zinc/39/41/26/567394126.db2.gz LESNNIWKOZEVAQ-ADEWGFFLSA-N 0 1 384.274 3.219 20 5 GGBDMN Cc1c(Br)cc(C(=O)N2[C@H](C)CN(C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000593189321 567394134 /nfs/dbraw/zinc/39/41/34/567394134.db2.gz LESNNIWKOZEVAQ-ADEWGFFLSA-N 0 1 384.274 3.219 20 5 GGBDMN CSC1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000435924388 567396560 /nfs/dbraw/zinc/39/65/60/567396560.db2.gz AALUDFHRPGSDEX-UHFFFAOYSA-N 0 1 385.294 3.466 20 5 GGBDMN Cc1ccnc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000549910103 567417703 /nfs/dbraw/zinc/41/77/03/567417703.db2.gz AAIYECLGHLAJRF-UHFFFAOYSA-N 0 1 376.221 3.084 20 5 GGBDMN Cc1cc(S(=O)(=O)Nc2ccc(-c3nncs3)cc2)ccc1[N+](=O)[O-] ZINC000436480154 567426680 /nfs/dbraw/zinc/42/66/80/567426680.db2.gz WQOXLYJQLMIHLW-UHFFFAOYSA-N 0 1 376.419 3.223 20 5 GGBDMN COC(=O)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000436513949 567432139 /nfs/dbraw/zinc/43/21/39/567432139.db2.gz NYROMMDGZQPQHD-UHFFFAOYSA-N 0 1 395.165 3.102 20 5 GGBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCOc2c(Br)cccc2C1 ZINC000619431629 567453157 /nfs/dbraw/zinc/45/31/57/567453157.db2.gz KHOGUHNPYPHMDQ-UHFFFAOYSA-N 0 1 379.210 3.458 20 5 GGBDMN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(C)c(Cl)cc1Cl ZINC000619507378 567460768 /nfs/dbraw/zinc/46/07/68/567460768.db2.gz KHIQDGBKNDAOOU-UHFFFAOYSA-N 0 1 392.220 3.414 20 5 GGBDMN CCC(C)(C)N1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000594390194 567473025 /nfs/dbraw/zinc/47/30/25/567473025.db2.gz UFPDKHIMKHXJEI-UHFFFAOYSA-N 0 1 384.274 3.304 20 5 GGBDMN COc1cc(/C=C/c2nc(N(C)C)ncc2Br)cc([N+](=O)[O-])c1O ZINC000619864622 567484792 /nfs/dbraw/zinc/48/47/92/567484792.db2.gz MLROKSGLXNNIPP-SNAWJCMRSA-N 0 1 395.213 3.098 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000437334236 567493360 /nfs/dbraw/zinc/49/33/60/567493360.db2.gz UUGFJNFTTYWBMI-VHSXEESVSA-N 0 1 384.351 3.381 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000437334237 567494065 /nfs/dbraw/zinc/49/40/65/567494065.db2.gz UUGFJNFTTYWBMI-ZJUUUORDSA-N 0 1 384.351 3.381 20 5 GGBDMN COC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2Cl)cc([N+](=O)[O-])c1 ZINC000438716843 567540190 /nfs/dbraw/zinc/54/01/90/567540190.db2.gz MKUVTIHQEJFTEM-UHFFFAOYSA-N 0 1 384.797 3.144 20 5 GGBDMN CC[C@H](Cc1ccccc1Br)N(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000479767908 567557367 /nfs/dbraw/zinc/55/73/67/567557367.db2.gz CEBXNIJHGNQTLB-GFCCVEGCSA-N 0 1 395.257 3.482 20 5 GGBDMN CN(CCOc1ccc(Br)cc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505486742 567578729 /nfs/dbraw/zinc/57/87/29/567578729.db2.gz FMCPKNIRFNFHAP-UHFFFAOYSA-N 0 1 395.209 3.214 20 5 GGBDMN CC(C)[C@@H](CNc1c(Br)cccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000596069646 567607506 /nfs/dbraw/zinc/60/75/06/567607506.db2.gz HQTCCERRAQEHLQ-OAHLLOKOSA-N 0 1 385.306 3.041 20 5 GGBDMN O=C(N[C@@H]1CCc2c1cccc2Br)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506212602 567615578 /nfs/dbraw/zinc/61/55/78/567615578.db2.gz ZUJXIMAAICLDJV-OAHLLOKOSA-N 0 1 377.194 3.480 20 5 GGBDMN CN(CCc1ccc(Br)cc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506337353 567622291 /nfs/dbraw/zinc/62/22/91/567622291.db2.gz JPMWOEGNFRPULL-UHFFFAOYSA-N 0 1 379.210 3.378 20 5 GGBDMN COc1cccc(Cl)c1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 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ZINC000176640129 1428388118 /nfs/dbraw/zinc/38/81/18/1428388118.db2.gz LZSOKAPTIXTLSL-UHFFFAOYSA-N 0 1 397.840 3.107 20 5 GGBDMN COc1ccc(CC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)cc1[N+](=O)[O-] ZINC000067923518 1409256494 /nfs/dbraw/zinc/25/64/94/1409256494.db2.gz LWZCUVIPKPKYDS-QGZVFWFLSA-N 0 1 387.436 3.001 20 5 GGBDMN COC(=O)c1cc(NC(=O)CCc2nc3cccc(C)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000176645851 1428389991 /nfs/dbraw/zinc/38/99/91/1428389991.db2.gz KCLXCTIWTMQSIY-UHFFFAOYSA-N 0 1 382.376 3.137 20 5 GGBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000067960394 1409264889 /nfs/dbraw/zinc/26/48/89/1409264889.db2.gz SFBVQNWBLIPQIY-UHFFFAOYSA-N 0 1 390.390 3.186 20 5 GGBDMN CCN(CC)[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccco1 ZINC000068256512 1409342926 /nfs/dbraw/zinc/34/29/26/1409342926.db2.gz ZLZJGBZZAXPBAP-SFHVURJKSA-N 0 1 384.436 3.342 20 5 GGBDMN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000068265864 1409345724 /nfs/dbraw/zinc/34/57/24/1409345724.db2.gz AZZOZCMXSOYBKX-NHYWBVRUSA-N 0 1 397.884 3.496 20 5 GGBDMN Cc1csc(Sc2ccc(C(=O)NCc3cn[nH]c3C)cc2[N+](=O)[O-])n1 ZINC000068271624 1409347614 /nfs/dbraw/zinc/34/76/14/1409347614.db2.gz VRJNUJVNDATNQU-UHFFFAOYSA-N 0 1 389.462 3.472 20 5 GGBDMN CCCc1[nH]nc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)c1[N+](=O)[O-] ZINC000068305390 1409358715 /nfs/dbraw/zinc/35/87/15/1409358715.db2.gz COLVMSBUNKJRPC-UHFFFAOYSA-N 0 1 383.408 3.431 20 5 GGBDMN CC(C)CC(=O)Nc1cccc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000068362747 1409379398 /nfs/dbraw/zinc/37/93/98/1409379398.db2.gz NPLBUXSNDFCSGW-UHFFFAOYSA-N 0 1 395.419 3.386 20 5 GGBDMN Cc1[nH]nc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)c1[N+](=O)[O-] ZINC000068458149 1409408984 /nfs/dbraw/zinc/40/89/84/1409408984.db2.gz AUYHYLSBKHOCMD-UHFFFAOYSA-N 0 1 386.408 3.330 20 5 GGBDMN COc1cccc([C@@H](CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])N(C)C)c1 ZINC000176683109 1428405148 /nfs/dbraw/zinc/40/51/48/1428405148.db2.gz CRVLYWLGUBYGPL-QGZVFWFLSA-N 0 1 375.400 3.084 20 5 GGBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)NC(=O)CC3)cc1[N+](=O)[O-] ZINC000176676798 1428402035 /nfs/dbraw/zinc/40/20/35/1428402035.db2.gz FPUMQVMLQWORGN-UHFFFAOYSA-N 0 1 395.824 3.242 20 5 GGBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CNCc2ccc(Cn3cncn3)cc2)c1 ZINC000068577671 1409443471 /nfs/dbraw/zinc/44/34/71/1409443471.db2.gz IOOLHEVTCPLRMP-UHFFFAOYSA-N 0 1 389.362 3.126 20 5 GGBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(N2CCCC2=O)cc1 ZINC000068662326 1409461553 /nfs/dbraw/zinc/46/15/53/1409461553.db2.gz GZNYSJNKFDFLJD-LBPRGKRZSA-N 0 1 393.403 3.089 20 5 GGBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000069369066 1409623583 /nfs/dbraw/zinc/62/35/83/1409623583.db2.gz AFHJATHYIIKLDR-RDJZCZTQSA-N 0 1 385.489 3.466 20 5 GGBDMN CCCc1[nH]nc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1[N+](=O)[O-] ZINC000069399667 1409628474 /nfs/dbraw/zinc/62/84/74/1409628474.db2.gz OJGOLWRRUGYXFT-UHFFFAOYSA-N 0 1 382.424 3.167 20 5 GGBDMN Cc1ccc(NC(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000069612138 1409662637 /nfs/dbraw/zinc/66/26/37/1409662637.db2.gz JKCPSXSZQZNNFT-LJQANCHMSA-N 0 1 397.479 3.013 20 5 GGBDMN COc1cccc([C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])N(C)C)c1 ZINC000069617686 1409663514 /nfs/dbraw/zinc/66/35/14/1409663514.db2.gz FTZWTYBITOQFGN-KRWDZBQOSA-N 0 1 377.828 3.290 20 5 GGBDMN O=C(NCc1nc2ccc(F)cc2[nH]1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000176707230 1428423667 /nfs/dbraw/zinc/42/36/67/1428423667.db2.gz JKOFBIPUUUEREW-UHFFFAOYSA-N 0 1 397.410 3.143 20 5 GGBDMN Cc1ccccc1-n1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cn1 ZINC000069969169 1409732642 /nfs/dbraw/zinc/73/26/42/1409732642.db2.gz JUMZKLQFABPVPO-UHFFFAOYSA-N 0 1 389.375 3.126 20 5 GGBDMN CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000070776051 1409773411 /nfs/dbraw/zinc/77/34/11/1409773411.db2.gz IOHBQFQOLWRHTM-CYBMUJFWSA-N 0 1 391.449 3.232 20 5 GGBDMN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccn(-c2ccncc2)n1 ZINC000071028108 1409814200 /nfs/dbraw/zinc/81/42/00/1409814200.db2.gz POAUVWYJYRCKBO-UHFFFAOYSA-N 0 1 395.422 3.374 20 5 GGBDMN Cc1cccc(N2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000071829589 1409826334 /nfs/dbraw/zinc/82/63/34/1409826334.db2.gz HVGLLUYIBBRSNY-UHFFFAOYSA-N 0 1 382.464 3.362 20 5 GGBDMN O=C1Nc2ccc(S(=O)(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c3cccc1c23 ZINC000071894763 1409829183 /nfs/dbraw/zinc/82/91/83/1409829183.db2.gz WTQMNWXIDNMSSX-UHFFFAOYSA-N 0 1 387.348 3.254 20 5 GGBDMN COC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)c1ccc(C)o1 ZINC000176730596 1428439610 /nfs/dbraw/zinc/43/96/10/1428439610.db2.gz POEJYFHKOISDTD-LBPRGKRZSA-N 0 1 388.829 3.124 20 5 GGBDMN COC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)c1ccc(C)o1 ZINC000176730577 1428439819 /nfs/dbraw/zinc/43/98/19/1428439819.db2.gz POEJYFHKOISDTD-GFCCVEGCSA-N 0 1 388.829 3.124 20 5 GGBDMN Cc1csc(Sc2ccc(C(=O)N[C@@H](C)c3nnc[nH]3)cc2[N+](=O)[O-])n1 ZINC000176744669 1428445692 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OQVIKSMQVQOYMA-UHFFFAOYSA-N 0 1 383.448 3.001 20 5 GGBDMN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000134651676 1417106235 /nfs/dbraw/zinc/10/62/35/1417106235.db2.gz HQZVNJPTXPUBPK-CABCVRRESA-N 0 1 379.457 3.351 20 5 GGBDMN CC1CCC(N2CCN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)CC2)CC1 ZINC000134692370 1417112995 /nfs/dbraw/zinc/11/29/95/1417112995.db2.gz WPNLDHINEVSMGA-UHFFFAOYSA-N 0 1 397.479 3.117 20 5 GGBDMN O=C(c1cc(C2CCCCC2)[nH]n1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000135116512 1417173699 /nfs/dbraw/zinc/17/36/99/1417173699.db2.gz UBFJLEFZDVYJOD-AWEZNQCLSA-N 0 1 384.440 3.087 20 5 GGBDMN CC(C)OC(=O)c1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000135194248 1417184786 /nfs/dbraw/zinc/18/47/86/1417184786.db2.gz LAAKVPQDPPUTPX-KRWDZBQOSA-N 0 1 384.436 3.241 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(SC(F)F)nc2)c(F)c1 ZINC000135248394 1417195785 /nfs/dbraw/zinc/19/57/85/1417195785.db2.gz GSGLJWVXDVFCOB-UHFFFAOYSA-N 0 1 379.341 3.244 20 5 GGBDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178777950 1429167515 /nfs/dbraw/zinc/16/75/15/1429167515.db2.gz IMDLZQDYVYFPFG-HNNXBMFYSA-N 0 1 383.452 3.015 20 5 GGBDMN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1CN1CCC(O)CC1 ZINC000135618861 1417247730 /nfs/dbraw/zinc/24/77/30/1417247730.db2.gz ZYZCLJWEFFRLNR-JXMROGBWSA-N 0 1 381.432 3.203 20 5 GGBDMN COC(=O)c1cc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc([N+](=O)[O-])c1 ZINC000136154600 1417296221 /nfs/dbraw/zinc/29/62/21/1417296221.db2.gz FIAUWOJQDLIZSA-UHFFFAOYSA-N 0 1 384.323 3.163 20 5 GGBDMN CCCCCOc1ccc([C@@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1OC ZINC000136297488 1417307797 /nfs/dbraw/zinc/30/77/97/1417307797.db2.gz ASAMKKFAXCCELC-GFCCVEGCSA-N 0 1 376.413 3.387 20 5 GGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1ccc([S@@](C)=O)cc1 ZINC000178808256 1429176950 /nfs/dbraw/zinc/17/69/50/1429176950.db2.gz LPTFDKFPBNMLOE-HHHXNRCGSA-N 0 1 389.477 3.101 20 5 GGBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000136897877 1417353487 /nfs/dbraw/zinc/35/34/87/1417353487.db2.gz KIPHGEHIQBLARA-FQEVSTJZSA-N 0 1 389.883 3.490 20 5 GGBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CCCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000136897877 1417353506 /nfs/dbraw/zinc/35/35/06/1417353506.db2.gz KIPHGEHIQBLARA-FQEVSTJZSA-N 0 1 389.883 3.490 20 5 GGBDMN COc1ccccc1CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000136932833 1417355912 /nfs/dbraw/zinc/35/59/12/1417355912.db2.gz YDSFJLPYPDKWKZ-UXHICEINSA-N 0 1 386.448 3.318 20 5 GGBDMN O=C(Nc1ccc(F)cc1)C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000137031964 1417363800 /nfs/dbraw/zinc/36/38/00/1417363800.db2.gz ASMNJTIODNIYII-IBGZPJMESA-N 0 1 387.411 3.118 20 5 GGBDMN O=C(Nc1ccc(F)cc1)C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000137031911 1417364008 /nfs/dbraw/zinc/36/40/08/1417364008.db2.gz ASMNJTIODNIYII-LJQANCHMSA-N 0 1 387.411 3.118 20 5 GGBDMN O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000140244856 1417493333 /nfs/dbraw/zinc/49/33/33/1417493333.db2.gz ITKRPTWIWQCIKM-IFXJQAMLSA-N 0 1 380.404 3.369 20 5 GGBDMN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000141406024 1417537338 /nfs/dbraw/zinc/53/73/38/1417537338.db2.gz VLICZMCJDPOAKQ-QGZVFWFLSA-N 0 1 382.376 3.340 20 5 GGBDMN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000141836753 1417560163 /nfs/dbraw/zinc/56/01/63/1417560163.db2.gz CXQGTCZEGUWZKT-UHFFFAOYSA-N 0 1 394.366 3.036 20 5 GGBDMN COc1ccc([C@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000147201609 1417741640 /nfs/dbraw/zinc/74/16/40/1417741640.db2.gz BQPSLVOXOTVMON-FQEVSTJZSA-N 0 1 383.448 3.479 20 5 GGBDMN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1ccnc(Cl)c1 ZINC000149231690 1417773590 /nfs/dbraw/zinc/77/35/90/1417773590.db2.gz HVRWVCKMQIRLPV-UHFFFAOYSA-N 0 1 392.618 3.207 20 5 GGBDMN NC(=O)c1ccc(CSc2nc(-c3cc(F)cc(F)c3)n[nH]2)c([N+](=O)[O-])c1 ZINC000151115319 1417874941 /nfs/dbraw/zinc/87/49/41/1417874941.db2.gz GGRXCOORKODLJY-UHFFFAOYSA-N 0 1 391.359 3.049 20 5 GGBDMN Cc1nn(-c2cc(C)ccc2C)c(Cl)c1CNCCn1cc([N+](=O)[O-])cn1 ZINC000151253536 1417905305 /nfs/dbraw/zinc/90/53/05/1417905305.db2.gz PZJSEXGYFRMKAF-UHFFFAOYSA-N 0 1 388.859 3.345 20 5 GGBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H](c4nc(C5CC5)n[nH]4)C3)n2)c1 ZINC000152284880 1418195150 /nfs/dbraw/zinc/19/51/50/1418195150.db2.gz GFHAOQDZLCAXSO-CQSZACIVSA-N 0 1 395.423 3.020 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000179179579 1429286879 /nfs/dbraw/zinc/28/68/79/1429286879.db2.gz IBUJAFWZPVQOOM-LBPRGKRZSA-N 0 1 392.843 3.465 20 5 GGBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H](c4nc(C5CC5)n[nH]4)C3)n2)cc1 ZINC000179508672 1429401464 /nfs/dbraw/zinc/40/14/64/1429401464.db2.gz NHQNXSJBNLTVEV-AWEZNQCLSA-N 0 1 395.423 3.020 20 5 GGBDMN O=C(Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1)c1n[nH]cc1[N+](=O)[O-] ZINC000179543280 1429419401 /nfs/dbraw/zinc/41/94/01/1429419401.db2.gz YUIUBNTUBKESTG-UHFFFAOYSA-N 0 1 380.339 3.176 20 5 GGBDMN C[C@H]1CCCC[N@H+]1CCC1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000820703843 1429421690 /nfs/dbraw/zinc/42/16/90/1429421690.db2.gz KATVORWBTJIQES-HNNXBMFYSA-N 0 1 399.499 3.256 20 5 GGBDMN C[C@H]1CCCC[N@@H+]1CCC1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000820703843 1429421692 /nfs/dbraw/zinc/42/16/92/1429421692.db2.gz KATVORWBTJIQES-HNNXBMFYSA-N 0 1 399.499 3.256 20 5 GGBDMN C[C@H]1CCCC[N@H+]1CCC1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000820703843 1429421694 /nfs/dbraw/zinc/42/16/94/1429421694.db2.gz KATVORWBTJIQES-HNNXBMFYSA-N 0 1 399.499 3.256 20 5 GGBDMN CC1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)OCCO1 ZINC000179555108 1429428541 /nfs/dbraw/zinc/42/85/41/1429428541.db2.gz SYVLOBAZNBGZCP-UHFFFAOYSA-N 0 1 397.225 3.470 20 5 GGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1cccc(OC(F)F)c1 ZINC000179582531 1429452450 /nfs/dbraw/zinc/45/24/50/1429452450.db2.gz RTQSBRSXEKAUTH-LLVKDONJSA-N 0 1 395.362 3.494 20 5 GGBDMN COc1ccc(NC(=O)CN[C@H](C)c2cccc(OC(F)F)c2)c([N+](=O)[O-])c1 ZINC000179597689 1429462896 /nfs/dbraw/zinc/46/28/96/1429462896.db2.gz AXSNOGOWSVLSFF-LLVKDONJSA-N 0 1 395.362 3.494 20 5 GGBDMN CC(C)(NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(Cl)c1 ZINC000179598581 1429463699 /nfs/dbraw/zinc/46/36/99/1429463699.db2.gz HJMHDXDOXGIKJQ-UHFFFAOYSA-N 0 1 391.811 3.440 20 5 GGBDMN C[C@@H](CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000179601094 1429464854 /nfs/dbraw/zinc/46/48/54/1429464854.db2.gz VWWWGJSEBKTGCC-ZDUSSCGKSA-N 0 1 397.522 3.382 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179601030 1429465179 /nfs/dbraw/zinc/46/51/79/1429465179.db2.gz UHRWVPNGWDGAGH-GFCCVEGCSA-N 0 1 386.412 3.010 20 5 GGBDMN CCc1[nH]nc(C(=O)N(C)Cc2c(C)nn(-c3ccccc3C)c2C)c1[N+](=O)[O-] ZINC000179603233 1429465597 /nfs/dbraw/zinc/46/55/97/1429465597.db2.gz CRBQNYPPDCKNQO-UHFFFAOYSA-N 0 1 396.451 3.263 20 5 GGBDMN C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(OC(F)F)cc1 ZINC000179603066 1429465820 /nfs/dbraw/zinc/46/58/20/1429465820.db2.gz UEJVOQJLCBJALI-LBPRGKRZSA-N 0 1 391.374 3.436 20 5 GGBDMN O=C(CNC1(c2cccc(Cl)c2)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000179666483 1429497753 /nfs/dbraw/zinc/49/77/53/1429497753.db2.gz WFZPOTNKEGLIMI-UHFFFAOYSA-N 0 1 389.795 3.194 20 5 GGBDMN O=C(CN[C@H](CCCO)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000179728258 1429525482 /nfs/dbraw/zinc/52/54/82/1429525482.db2.gz FKCWKVLZYLKMIR-MRXNPFEDSA-N 0 1 377.828 3.290 20 5 GGBDMN C[C@@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179731560 1429527088 /nfs/dbraw/zinc/52/70/88/1429527088.db2.gz QPWUQDRNNUYLBL-ZUOKHONESA-N 0 1 397.431 3.434 20 5 GGBDMN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000152639234 1422183396 /nfs/dbraw/zinc/18/33/96/1422183396.db2.gz FCZJNWDYKULFOA-MRVPVSSYSA-N 0 1 375.385 3.380 20 5 GGBDMN CC(C)(CO)[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000152669745 1422202348 /nfs/dbraw/zinc/20/23/48/1422202348.db2.gz RHOLNPJHJHOZOP-MRXNPFEDSA-N 0 1 382.420 3.003 20 5 GGBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCOC2(C1)CCCCCC2 ZINC000152769777 1422242287 /nfs/dbraw/zinc/24/22/87/1422242287.db2.gz GIJFSSGNWWKRJO-UHFFFAOYSA-N 0 1 389.452 3.318 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOC2(C1)CCCCCC2 ZINC000152914721 1422294487 /nfs/dbraw/zinc/29/44/87/1422294487.db2.gz MPWWHYWVDMLBPB-UHFFFAOYSA-N 0 1 391.468 3.357 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCOC2(C1)CCCCCC2 ZINC000152914721 1422294496 /nfs/dbraw/zinc/29/44/96/1422294496.db2.gz MPWWHYWVDMLBPB-UHFFFAOYSA-N 0 1 391.468 3.357 20 5 GGBDMN C[C@H]1C[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])CC[N@H+]1Cc1ccccc1 ZINC000152923347 1422297516 /nfs/dbraw/zinc/29/75/16/1422297516.db2.gz KLUHWKJMGRRPQE-DOTOQJQBSA-N 0 1 383.448 3.426 20 5 GGBDMN Cc1ccc(N2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)CC2)cc1C ZINC000153084924 1422350738 /nfs/dbraw/zinc/35/07/38/1422350738.db2.gz CUFRZQXGUSDXSY-UHFFFAOYSA-N 0 1 379.420 3.050 20 5 GGBDMN C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179772294 1429552637 /nfs/dbraw/zinc/55/26/37/1429552637.db2.gz CZXVEYJZBSAQJI-AWEZNQCLSA-N 0 1 396.447 3.257 20 5 GGBDMN COc1ccc(C[C@H](C)C[N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000153367761 1422498850 /nfs/dbraw/zinc/49/88/50/1422498850.db2.gz QCVZVQJQPJVCSJ-INIZCTEOSA-N 0 1 385.464 3.377 20 5 GGBDMN CC[C@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCN1CC(F)F ZINC000153516409 1422579834 /nfs/dbraw/zinc/57/98/34/1422579834.db2.gz QVDVHQLEEHQHFI-HNNXBMFYSA-N 0 1 394.422 3.454 20 5 GGBDMN CN(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Cc1nnc[nH]1 ZINC000179798419 1429572172 /nfs/dbraw/zinc/57/21/72/1429572172.db2.gz YDVAOTPZQMZKFL-UHFFFAOYSA-N 0 1 389.419 3.198 20 5 GGBDMN CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)Cc1nc2ccccc2o1 ZINC000153771261 1422748487 /nfs/dbraw/zinc/74/84/87/1422748487.db2.gz RZKQTOHJNQUFLQ-UHFFFAOYSA-N 0 1 382.376 3.166 20 5 GGBDMN CCCCCCNC(=O)[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000153829285 1422785164 /nfs/dbraw/zinc/78/51/64/1422785164.db2.gz SQLOYXYPHSIMSC-HKUYNNGSSA-N 0 1 377.485 3.037 20 5 GGBDMN CC1CCN(c2ccc(C(=O)Nc3ccc4[nH]nnc4c3)cc2[N+](=O)[O-])CC1 ZINC000154022234 1422827351 /nfs/dbraw/zinc/82/73/51/1422827351.db2.gz UPCQCBZEFKWIDT-UHFFFAOYSA-N 0 1 380.408 3.355 20 5 GGBDMN CCN(Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000154206889 1422855286 /nfs/dbraw/zinc/85/52/86/1422855286.db2.gz MPEYGCNSPSCWBO-AWEZNQCLSA-N 0 1 387.436 3.461 20 5 GGBDMN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H](C)N[C@@H](C)C2)cc1 ZINC000154217378 1422856868 /nfs/dbraw/zinc/85/68/68/1422856868.db2.gz SPAGXPSBJMQZQL-OKILXGFUSA-N 0 1 385.420 3.218 20 5 GGBDMN Cc1cc(S(=O)(=O)Nc2ccccc2-n2cccn2)cc([N+](=O)[O-])c1F ZINC000154269950 1422864824 /nfs/dbraw/zinc/86/48/24/1422864824.db2.gz IYXINSOKKBHVAQ-UHFFFAOYSA-N 0 1 376.369 3.029 20 5 GGBDMN CCOCCOc1cc(C)ccc1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000154412317 1422885718 /nfs/dbraw/zinc/88/57/18/1422885718.db2.gz HWQADAYSWHICJT-UHFFFAOYSA-N 0 1 398.419 3.125 20 5 GGBDMN O=C(NC[C@@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000154482872 1422894971 /nfs/dbraw/zinc/89/49/71/1422894971.db2.gz IHLMQIXLSIQVBF-PMACEKPBSA-N 0 1 398.463 3.304 20 5 GGBDMN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000154649629 1422982299 /nfs/dbraw/zinc/98/22/99/1422982299.db2.gz HEESSPBZORLBCZ-LBPRGKRZSA-N 0 1 375.816 3.264 20 5 GGBDMN COCCn1ccc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc21 ZINC000179886512 1429625185 /nfs/dbraw/zinc/62/51/85/1429625185.db2.gz OTYZVSDJJYHVQX-UHFFFAOYSA-N 0 1 389.433 3.305 20 5 GGBDMN CCC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1CCOC ZINC000155918922 1423594119 /nfs/dbraw/zinc/59/41/19/1423594119.db2.gz VHMDYXCVSPJVBP-AWEZNQCLSA-N 0 1 384.864 3.213 20 5 GGBDMN CCC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1CCOC ZINC000155918801 1423594310 /nfs/dbraw/zinc/59/43/10/1423594310.db2.gz VHMDYXCVSPJVBP-CQSZACIVSA-N 0 1 384.864 3.213 20 5 GGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1)[C@H](CO)C1CC1 ZINC000155938506 1423602167 /nfs/dbraw/zinc/60/21/67/1423602167.db2.gz DOHDWUAJBWWKBK-HXUWFJFHSA-N 0 1 383.448 3.115 20 5 GGBDMN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1cccs1 ZINC000179949660 1429659279 /nfs/dbraw/zinc/65/92/79/1429659279.db2.gz KCBIQHIQYQPJQH-LBPRGKRZSA-N 0 1 385.392 3.290 20 5 GGBDMN CCCN(C(=O)c1c([N+](=O)[O-])c(C)nn1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000156064005 1423657569 /nfs/dbraw/zinc/65/75/69/1423657569.db2.gz LYLPAEPBAZFQIX-SFHVURJKSA-N 0 1 399.495 3.154 20 5 GGBDMN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826500435 1424167380 /nfs/dbraw/zinc/16/73/80/1424167380.db2.gz YHVPNKQQHUWGNB-UGSOOPFHSA-N 0 1 396.426 3.415 20 5 GGBDMN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3n[nH]cc3[N+](=O)[O-])s2)cc1 ZINC000158339207 1424231055 /nfs/dbraw/zinc/23/10/55/1424231055.db2.gz FXULBEUYKKLOLY-SECBINFHSA-N 0 1 387.421 3.249 20 5 GGBDMN Cc1nn(CCC(=O)Nc2cccc3c2CN(CC(C)C)C3)c(C)c1[N+](=O)[O-] ZINC000158386007 1424242196 /nfs/dbraw/zinc/24/21/96/1424242196.db2.gz REWCEOSTJCTDCF-UHFFFAOYSA-N 0 1 385.468 3.409 20 5 GGBDMN Cc1ccc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)nc2)c([N+](=O)[O-])c1 ZINC000158622568 1424304269 /nfs/dbraw/zinc/30/42/69/1424304269.db2.gz QCVAOXOQPKCANG-UHFFFAOYSA-N 0 1 391.327 3.040 20 5 GGBDMN COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)N1CCCC1 ZINC000159086767 1424413808 /nfs/dbraw/zinc/41/38/08/1424413808.db2.gz SXKNSUNVNYQMSR-SFHVURJKSA-N 0 1 399.447 3.179 20 5 GGBDMN CCc1nc(-c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000159271786 1424466309 /nfs/dbraw/zinc/46/63/09/1424466309.db2.gz IRSQZSGBAWNCCW-UHFFFAOYSA-N 0 1 387.421 3.052 20 5 GGBDMN C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000159450794 1424503721 /nfs/dbraw/zinc/50/37/21/1424503721.db2.gz UMCUYCVGQDQSDZ-HNNXBMFYSA-N 0 1 375.469 3.417 20 5 GGBDMN CN(c1ccccc1)c1ccc(CN2CCC(CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000159718102 1424526812 /nfs/dbraw/zinc/52/68/12/1424526812.db2.gz VERDCGCTGXVQCE-UHFFFAOYSA-N 0 1 382.464 3.450 20 5 GGBDMN O=c1ccc([N+](=O)[O-])cn1CCN(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000159759427 1424532204 /nfs/dbraw/zinc/53/22/04/1424532204.db2.gz IIKVHLITHKMQOS-UHFFFAOYSA-N 0 1 381.354 3.440 20 5 GGBDMN CCN(C[C@H](O)c1ccc(C)cc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000159931648 1424553320 /nfs/dbraw/zinc/55/33/20/1424553320.db2.gz STILKUFTWCYCDI-UXHICEINSA-N 0 1 383.448 3.064 20 5 GGBDMN C[C@@H]1CN(C[C@@H]2CCCN2c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H](C)O1 ZINC000160486012 1424607579 /nfs/dbraw/zinc/60/75/79/1424607579.db2.gz NXHUUNSONJRQEG-NFAWXSAZSA-N 0 1 385.411 3.274 20 5 GGBDMN COc1cc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000160532561 1424611471 /nfs/dbraw/zinc/61/14/71/1424611471.db2.gz WXZJIBLEDHEAMP-ACJLOTCBSA-N 0 1 386.395 3.332 20 5 GGBDMN Cc1ccc([C@@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000160886082 1424641407 /nfs/dbraw/zinc/64/14/07/1424641407.db2.gz GGRNMDJVSNEMLU-GOSISDBHSA-N 0 1 386.452 3.175 20 5 GGBDMN N[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1cccc(Cl)c1 ZINC000160921804 1424644905 /nfs/dbraw/zinc/64/49/05/1424644905.db2.gz HYURPRZYULCMCK-SFHVURJKSA-N 0 1 389.839 3.318 20 5 GGBDMN CC[C@H](N[C@H](C)c1cccc(S(=O)(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000161468350 1424693149 /nfs/dbraw/zinc/69/31/49/1424693149.db2.gz HBZUKUSUEIVZOF-ACJLOTCBSA-N 0 1 377.466 3.305 20 5 GGBDMN CC[C@@H](N[C@H](C)c1cccc(S(=O)(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000161468476 1424693775 /nfs/dbraw/zinc/69/37/75/1424693775.db2.gz HBZUKUSUEIVZOF-FZKQIMNGSA-N 0 1 377.466 3.305 20 5 GGBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)c2C)o1 ZINC000161572818 1424714591 /nfs/dbraw/zinc/71/45/91/1424714591.db2.gz OSHYITIPJJVCDO-UHFFFAOYSA-N 0 1 393.359 3.289 20 5 GGBDMN CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000180137131 1429753586 /nfs/dbraw/zinc/75/35/86/1429753586.db2.gz NFJXUTNXTCKWDJ-ZFWWWQNUSA-N 0 1 388.411 3.373 20 5 GGBDMN CC[C@H](O)[C@@H]1CCCCN1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000180137131 1429753591 /nfs/dbraw/zinc/75/35/91/1429753591.db2.gz NFJXUTNXTCKWDJ-ZFWWWQNUSA-N 0 1 388.411 3.373 20 5 GGBDMN CCCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H](C)C(=O)Nc1ccccc1 ZINC000161944300 1424801551 /nfs/dbraw/zinc/80/15/51/1424801551.db2.gz IIVLBWIANBRRQF-ZDUSSCGKSA-N 0 1 395.419 3.351 20 5 GGBDMN CCOC(=O)CC[C@@H]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000162149641 1424820352 /nfs/dbraw/zinc/82/03/52/1424820352.db2.gz NWSDMHDFQNDMJH-AWEZNQCLSA-N 0 1 388.424 3.200 20 5 GGBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1noc(-c2ccccc2)n1 ZINC000162925426 1424907503 /nfs/dbraw/zinc/90/75/03/1424907503.db2.gz XETGFFXQPYYABE-JTQLQIEISA-N 0 1 378.348 3.012 20 5 GGBDMN CCN(CC)S(=O)(=O)c1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000163163418 1424951312 /nfs/dbraw/zinc/95/13/12/1424951312.db2.gz UFBPBLVYYTZKMX-OAHLLOKOSA-N 0 1 391.493 3.476 20 5 GGBDMN C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000164226112 1425089342 /nfs/dbraw/zinc/08/93/42/1425089342.db2.gz VJYBPJMQEUOBID-HNNXBMFYSA-N 0 1 375.469 3.417 20 5 GGBDMN CCc1ccc([C@@H](COC)N[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000165248374 1425172657 /nfs/dbraw/zinc/17/26/57/1425172657.db2.gz SCHDFAFCXYBWTN-SUMWQHHRSA-N 0 1 375.425 3.445 20 5 GGBDMN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000826499848 1425205777 /nfs/dbraw/zinc/20/57/77/1425205777.db2.gz AKRGXFUJSNYZPW-QAPCUYQASA-N 0 1 378.436 3.276 20 5 GGBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000170912979 1425388616 /nfs/dbraw/zinc/38/86/16/1425388616.db2.gz XXHWIECOZVBMRI-INIZCTEOSA-N 0 1 375.469 3.120 20 5 GGBDMN Cc1nn(C)c(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)c1[N+](=O)[O-] ZINC000170921799 1425394751 /nfs/dbraw/zinc/39/47/51/1425394751.db2.gz QRSVZURTMXUHST-QGZVFWFLSA-N 0 1 390.403 3.032 20 5 GGBDMN Cc1nn(CCC(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c(C)c1[N+](=O)[O-] ZINC000171441311 1425680376 /nfs/dbraw/zinc/68/03/76/1425680376.db2.gz SMNVMCWTOKEYRS-INIZCTEOSA-N 0 1 398.423 3.165 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000171713121 1425800550 /nfs/dbraw/zinc/80/05/50/1425800550.db2.gz JFPXEMWDDUPCQF-AWEZNQCLSA-N 0 1 393.421 3.258 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)c1[N+](=O)[O-] ZINC000171806704 1425825344 /nfs/dbraw/zinc/82/53/44/1425825344.db2.gz LDFMLHRMPFGQSP-LBPRGKRZSA-N 0 1 382.424 3.085 20 5 GGBDMN CCc1n[nH]c(C(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)c1[N+](=O)[O-] ZINC000171806704 1425825346 /nfs/dbraw/zinc/82/53/46/1425825346.db2.gz LDFMLHRMPFGQSP-LBPRGKRZSA-N 0 1 382.424 3.085 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)c1[N+](=O)[O-] ZINC000171806704 1425825349 /nfs/dbraw/zinc/82/53/49/1425825349.db2.gz LDFMLHRMPFGQSP-LBPRGKRZSA-N 0 1 382.424 3.085 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000171826675 1425829746 /nfs/dbraw/zinc/82/97/46/1425829746.db2.gz COSCIOSRJRJFIX-QGZVFWFLSA-N 0 1 392.843 3.120 20 5 GGBDMN C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824658245 1426040120 /nfs/dbraw/zinc/04/01/20/1426040120.db2.gz VFHYNVAXAWICHL-GDBMZVCRSA-N 0 1 393.451 3.097 20 5 GGBDMN C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824658245 1426040127 /nfs/dbraw/zinc/04/01/27/1426040127.db2.gz VFHYNVAXAWICHL-GDBMZVCRSA-N 0 1 393.451 3.097 20 5 GGBDMN C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824658245 1426040138 /nfs/dbraw/zinc/04/01/38/1426040138.db2.gz VFHYNVAXAWICHL-GDBMZVCRSA-N 0 1 393.451 3.097 20 5 GGBDMN C[C@@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173121808 1426351566 /nfs/dbraw/zinc/35/15/66/1426351566.db2.gz VYYOTERUOKZPIQ-CYBMUJFWSA-N 0 1 389.433 3.020 20 5 GGBDMN C[C@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000173332983 1426514372 /nfs/dbraw/zinc/51/43/72/1426514372.db2.gz ZVMDZTYZDMRXES-KBPBESRZSA-N 0 1 377.466 3.257 20 5 GGBDMN CCc1ccc(C(=O)Nc2cccc(CN3CCN(C)CC3)c2)cc1[N+](=O)[O-] ZINC000173342589 1426522285 /nfs/dbraw/zinc/52/22/85/1426522285.db2.gz VZSHCLACEPGPKX-UHFFFAOYSA-N 0 1 382.464 3.157 20 5 GGBDMN CCc1ccc([C@@H](COC)NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000173355549 1426530795 /nfs/dbraw/zinc/53/07/95/1426530795.db2.gz RNRVTVPSFFLUFD-GFCCVEGCSA-N 0 1 388.829 3.070 20 5 GGBDMN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000173520708 1426693339 /nfs/dbraw/zinc/69/33/39/1426693339.db2.gz TZFMKNUOAASGHM-HNNXBMFYSA-N 0 1 398.419 3.240 20 5 GGBDMN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CCN1Cc1ccccc1 ZINC000173520194 1426693586 /nfs/dbraw/zinc/69/35/86/1426693586.db2.gz PUEKQAXTRVONNE-QGZVFWFLSA-N 0 1 396.491 3.397 20 5 GGBDMN O=C(c1c[nH]c2ccccc2c1=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173638626 1426805901 /nfs/dbraw/zinc/80/59/01/1426805901.db2.gz LRHRLLRAAOOFBW-UHFFFAOYSA-N 0 1 393.399 3.120 20 5 GGBDMN CN(C(=O)CN1CC[C@H](COCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000173652259 1426810831 /nfs/dbraw/zinc/81/08/31/1426810831.db2.gz ITLDFYYSKOROAF-SFHVURJKSA-N 0 1 383.448 3.096 20 5 GGBDMN CC(C)(C)OC(=O)CCCCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000173652341 1426810959 /nfs/dbraw/zinc/81/09/59/1426810959.db2.gz QAQJOAFCJFPSJA-UHFFFAOYSA-N 0 1 376.413 3.103 20 5 GGBDMN CC[NH+](CC)CCC[C@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821188920 1426869341 /nfs/dbraw/zinc/86/93/41/1426869341.db2.gz GHLOYCGQDCKJGR-ZDUSSCGKSA-N 0 1 398.471 3.246 20 5 GGBDMN COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000174051488 1426972997 /nfs/dbraw/zinc/97/29/97/1426972997.db2.gz RNUUCLWTFOPKHQ-QGZVFWFLSA-N 0 1 383.448 3.340 20 5 GGBDMN COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000174051488 1426973003 /nfs/dbraw/zinc/97/30/03/1426973003.db2.gz RNUUCLWTFOPKHQ-QGZVFWFLSA-N 0 1 383.448 3.340 20 5 GGBDMN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1nc(C2CCCCC2)no1 ZINC000174067464 1426984256 /nfs/dbraw/zinc/98/42/56/1426984256.db2.gz NOQRKYASSBMFQM-JTQLQIEISA-N 0 1 398.416 3.204 20 5 GGBDMN O=[N+]([O-])c1cc(N[C@H](C[NH+]2CCCC2)c2ccccc2)ccc1-c1nn[n-]n1 ZINC000823634194 1427000500 /nfs/dbraw/zinc/00/05/00/1427000500.db2.gz CJVKVVZLFOBDQO-QGZVFWFLSA-N 0 1 379.424 3.024 20 5 GGBDMN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000174126580 1427013164 /nfs/dbraw/zinc/01/31/64/1427013164.db2.gz YORZLMQBJUBBGY-QAPCUYQASA-N 0 1 383.448 3.426 20 5 GGBDMN C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174245050 1427066971 /nfs/dbraw/zinc/06/69/71/1427066971.db2.gz MEEUTNIHIGODPJ-QGZVFWFLSA-N 0 1 397.475 3.485 20 5 GGBDMN C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174245037 1427067111 /nfs/dbraw/zinc/06/71/11/1427067111.db2.gz MEEUTNIHIGODPJ-KRWDZBQOSA-N 0 1 397.475 3.485 20 5 GGBDMN CN(C)C(=O)c1cccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000174248338 1427069190 /nfs/dbraw/zinc/06/91/90/1427069190.db2.gz RFPJDINTODWTAQ-UHFFFAOYSA-N 0 1 383.448 3.340 20 5 GGBDMN CC(C)N(C(=O)[C@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(C)C ZINC000174249311 1427069708 /nfs/dbraw/zinc/06/97/08/1427069708.db2.gz IOLQMYQQAIBMQQ-INIZCTEOSA-N 0 1 377.485 3.472 20 5 GGBDMN C[C@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000174365996 1427122766 /nfs/dbraw/zinc/12/27/66/1427122766.db2.gz PJGOBNSODNMZJH-GJZGRUSLSA-N 0 1 379.420 3.458 20 5 GGBDMN COc1cc([N+](=O)[O-])c(C(=O)NCc2nc3ccc(F)cc3[nH]2)cc1SC ZINC000174452623 1427162606 /nfs/dbraw/zinc/16/26/06/1427162606.db2.gz PDARFXWNDSCTKY-UHFFFAOYSA-N 0 1 390.396 3.271 20 5 GGBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000174504607 1427189568 /nfs/dbraw/zinc/18/95/68/1427189568.db2.gz IDNXNVSVZYSHLG-LLVKDONJSA-N 0 1 388.424 3.450 20 5 GGBDMN CC[NH+](CC)Cc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000821197927 1427223551 /nfs/dbraw/zinc/22/35/51/1427223551.db2.gz OXKANXFXNBMHMH-UHFFFAOYSA-N 0 1 381.440 3.229 20 5 GGBDMN O=C1[C@H](NCc2ccc([N+](=O)[O-])cc2)CCCN1c1ccc(OC(F)F)cc1 ZINC000174569007 1427229267 /nfs/dbraw/zinc/22/92/67/1427229267.db2.gz LNCFOBSRSJDLPO-QGZVFWFLSA-N 0 1 391.374 3.481 20 5 GGBDMN CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCCN(c2ccccc2)C1 ZINC000174677886 1427304309 /nfs/dbraw/zinc/30/43/09/1427304309.db2.gz MOOZAZRIQVOVGM-FQEVSTJZSA-N 0 1 394.475 3.085 20 5 GGBDMN COc1ccc(NC(=O)CN(C)[C@@H]2CCCN(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000174678362 1427305027 /nfs/dbraw/zinc/30/50/27/1427305027.db2.gz ASRINHDMXMMFDS-QGZVFWFLSA-N 0 1 398.463 3.143 20 5 GGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H]1CCCN(c2ccccc2)C1 ZINC000174680465 1427306118 /nfs/dbraw/zinc/30/61/18/1427306118.db2.gz OLYWRMIKVFWIQS-IBGZPJMESA-N 0 1 382.464 3.443 20 5 GGBDMN O=[N+]([O-])c1ccc(OC2CCN(C[C@@H](O)COc3ccccc3F)CC2)cc1 ZINC000174802918 1427377671 /nfs/dbraw/zinc/37/76/71/1427377671.db2.gz GAIARSCVKSNZDQ-MRXNPFEDSA-N 0 1 390.411 3.017 20 5 GGBDMN O=C(CN(CCCO)[C@H]1CCCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000174908430 1427440058 /nfs/dbraw/zinc/44/00/58/1427440058.db2.gz OVIZVWYMTVURGJ-IBGZPJMESA-N 0 1 383.448 3.295 20 5 GGBDMN Cc1nc(-c2ccc(NS(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)cc2)n[nH]1 ZINC000175012320 1427496971 /nfs/dbraw/zinc/49/69/71/1427496971.db2.gz WHRJAMJAVXVGQF-UHFFFAOYSA-N 0 1 387.421 3.106 20 5 GGBDMN Cc1cc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)ccc1C(=O)N(C)C ZINC000175022787 1427504925 /nfs/dbraw/zinc/50/49/25/1427504925.db2.gz BPOXTNLITXFULS-UHFFFAOYSA-N 0 1 391.449 3.023 20 5 GGBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2nnc3ccccn32)C1 ZINC000175250643 1427625591 /nfs/dbraw/zinc/62/55/91/1427625591.db2.gz UMOFNBROQRIBAU-HNNXBMFYSA-N 0 1 381.436 3.416 20 5 GGBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000175250670 1427625797 /nfs/dbraw/zinc/62/57/97/1427625797.db2.gz UMOFNBROQRIBAU-OAHLLOKOSA-N 0 1 381.436 3.416 20 5 GGBDMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000175295968 1427654444 /nfs/dbraw/zinc/65/44/44/1427654444.db2.gz VRMHCFSTIWTXHY-UHFFFAOYSA-N 0 1 390.465 3.059 20 5 GGBDMN CC(C)(NC(=O)NC1CCN(Cc2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000175359439 1427704605 /nfs/dbraw/zinc/70/46/05/1427704605.db2.gz LGDJEPCDUWZFQC-UHFFFAOYSA-N 0 1 397.479 3.189 20 5 GGBDMN COc1ccc(OCCN(C)[C@H](C)c2ccc([S@](C)=O)cc2)c([N+](=O)[O-])c1 ZINC000175411562 1427740102 /nfs/dbraw/zinc/74/01/02/1427740102.db2.gz OMKYZVHTTNKVRJ-ASHKIFAZSA-N 0 1 392.477 3.413 20 5 GGBDMN COc1ccc(OCCN(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])c1 ZINC000175411586 1427740133 /nfs/dbraw/zinc/74/01/33/1427740133.db2.gz OMKYZVHTTNKVRJ-PGGUUEOZSA-N 0 1 392.477 3.413 20 5 GGBDMN CC(C)(NC(=O)NC1CCN(Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000175419741 1427744944 /nfs/dbraw/zinc/74/49/44/1427744944.db2.gz FQVBQBKNJQHSNZ-UHFFFAOYSA-N 0 1 397.479 3.189 20 5 GGBDMN O=C(NCC1(CN2CCOCC2)CCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000175657870 1427847261 /nfs/dbraw/zinc/84/72/61/1427847261.db2.gz JEZJEFUZAFJFFE-UHFFFAOYSA-N 0 1 395.887 3.261 20 5 GGBDMN CCc1noc(-c2ccc(C)c(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000175969493 1428004703 /nfs/dbraw/zinc/00/47/03/1428004703.db2.gz UTXFCYDIXNAFDW-UHFFFAOYSA-N 0 1 388.405 3.316 20 5 GGBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000175993921 1428018460 /nfs/dbraw/zinc/01/84/60/1428018460.db2.gz SMCCMKOAPJKCTR-CHWSQXEVSA-N 0 1 385.330 3.400 20 5 GGBDMN O=[N+]([O-])c1ccccc1C=CC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826500392 1428114275 /nfs/dbraw/zinc/11/42/75/1428114275.db2.gz WXKDKSWDPHPHDQ-HYXAFXHYSA-N 0 1 376.420 3.453 20 5 GGBDMN COc1cc(CN2CC[C@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180172992 1429780013 /nfs/dbraw/zinc/78/00/13/1429780013.db2.gz WJYXXLFYJXWSSG-IUODEOHRSA-N 0 1 386.395 3.248 20 5 GGBDMN CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000180192483 1429794979 /nfs/dbraw/zinc/79/49/79/1429794979.db2.gz OXCMYXQTSDTTFG-KRWDZBQOSA-N 0 1 399.447 3.133 20 5 GGBDMN C[C@H](NCC(=O)Nc1cccc(N2CCCC2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000180392091 1429854733 /nfs/dbraw/zinc/85/47/33/1429854733.db2.gz YZHYLVHJVHHHIR-AWEZNQCLSA-N 0 1 382.420 3.011 20 5 GGBDMN CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000825127612 1429856897 /nfs/dbraw/zinc/85/68/97/1429856897.db2.gz OGMRAQXIWVZNOX-HNNXBMFYSA-N 0 1 384.465 3.435 20 5 GGBDMN C[C@@H](NCC(=O)NCCOc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000180406395 1429859782 /nfs/dbraw/zinc/85/97/82/1429859782.db2.gz VYNNAGRUVBFOKJ-CYBMUJFWSA-N 0 1 377.828 3.094 20 5 GGBDMN CCN(CC)C(=O)c1ccc(NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180408501 1429860126 /nfs/dbraw/zinc/86/01/26/1429860126.db2.gz KLJYHRXHGAWRPO-OAHLLOKOSA-N 0 1 398.463 3.366 20 5 GGBDMN C[C@@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000180408027 1429860295 /nfs/dbraw/zinc/86/02/95/1429860295.db2.gz NMGWBEJGOKYPNA-SNVBAGLBSA-N 0 1 378.772 3.446 20 5 GGBDMN C[C@@H](NCC(=O)Nc1ccnn1Cc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000180415738 1429862782 /nfs/dbraw/zinc/86/27/82/1429862782.db2.gz YQTAAFOIZNMVPB-CYBMUJFWSA-N 0 1 385.449 3.190 20 5 GGBDMN C[C@@H](NCC(=O)NCCc1ccc(OC(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180427959 1429867150 /nfs/dbraw/zinc/86/71/50/1429867150.db2.gz KENVFJQBRVKIEW-CYBMUJFWSA-N 0 1 393.390 3.206 20 5 GGBDMN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000180432099 1429868151 /nfs/dbraw/zinc/86/81/51/1429868151.db2.gz SVSHLAKESNPJMN-NWDGAFQWSA-N 0 1 388.380 3.189 20 5 GGBDMN C[C@H](NCC(=O)Nc1ccccc1N1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000180441992 1429870134 /nfs/dbraw/zinc/87/01/34/1429870134.db2.gz 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ZINC000185635000 1431190284 /nfs/dbraw/zinc/19/02/84/1431190284.db2.gz ALCJKVFRVJYUQA-SNVBAGLBSA-N 0 1 399.373 3.260 20 5 GGBDMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185635014 1431190341 /nfs/dbraw/zinc/19/03/41/1431190341.db2.gz ALCJKVFRVJYUQA-JTQLQIEISA-N 0 1 399.373 3.260 20 5 GGBDMN O=C(N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1n[nH]cc1[N+](=O)[O-] ZINC000185801855 1431239496 /nfs/dbraw/zinc/23/94/96/1431239496.db2.gz LHTPIITZARDPBL-NSHDSACASA-N 0 1 387.396 3.388 20 5 GGBDMN C[C@H](c1ccccc1)N1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000185806490 1431240290 /nfs/dbraw/zinc/24/02/90/1431240290.db2.gz IALQFDLGAJPBDW-OAHLLOKOSA-N 0 1 389.477 3.099 20 5 GGBDMN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000185945954 1431290442 /nfs/dbraw/zinc/29/04/42/1431290442.db2.gz XTUBGSGNNMIEBN-UHFFFAOYSA-N 0 1 393.403 3.064 20 5 GGBDMN CCCc1[nH]nc(C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)c1[N+](=O)[O-] ZINC000186325558 1431383435 /nfs/dbraw/zinc/38/34/35/1431383435.db2.gz UAADDOMWDADDJT-AWEZNQCLSA-N 0 1 396.806 3.277 20 5 GGBDMN COc1ccccc1[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)OC(C)C ZINC000186531379 1431447293 /nfs/dbraw/zinc/44/72/93/1431447293.db2.gz MBYHYVKCOBPOGQ-SFHVURJKSA-N 0 1 398.419 3.376 20 5 GGBDMN COc1ccc(OCCNC(C)(C)c2nc3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000186580075 1431459578 /nfs/dbraw/zinc/45/95/78/1431459578.db2.gz OVTJEYALMTWMTM-UHFFFAOYSA-N 0 1 384.436 3.394 20 5 GGBDMN COc1cccc(F)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000187050717 1431600082 /nfs/dbraw/zinc/60/00/82/1431600082.db2.gz ZDNZWFUWTCRCEZ-UHFFFAOYSA-N 0 1 377.353 3.092 20 5 GGBDMN COc1c(F)cc(S(=O)(=O)Nc2ccc3[nH]c(C)cc3c2)cc1[N+](=O)[O-] ZINC000187254968 1431667537 /nfs/dbraw/zinc/66/75/37/1431667537.db2.gz PNAUUQWBCYUCFS-UHFFFAOYSA-N 0 1 379.369 3.333 20 5 GGBDMN CCOc1ccc2c(c1)[C@H](NC(=O)c1n[nH]c3ccc([N+](=O)[O-])cc31)CCO2 ZINC000187535258 1431759325 /nfs/dbraw/zinc/75/93/25/1431759325.db2.gz XMLVBTHPFOBTJA-OAHLLOKOSA-N 0 1 382.376 3.123 20 5 GGBDMN COc1c(F)cc(S(=O)(=O)Nc2ccc(-c3ncco3)cc2)cc1[N+](=O)[O-] ZINC000187597172 1431775651 /nfs/dbraw/zinc/77/56/51/1431775651.db2.gz IBZJZFBHJIJEND-UHFFFAOYSA-N 0 1 393.352 3.198 20 5 GGBDMN C[C@H](C1CC1)n1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cn1 ZINC000187738013 1431805995 /nfs/dbraw/zinc/80/59/95/1431805995.db2.gz ZTBUXSGVCCYMEA-LLVKDONJSA-N 0 1 387.421 3.111 20 5 GGBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc3nnc(C(C)C)n3c2)cc1C ZINC000187780231 1431811624 /nfs/dbraw/zinc/81/16/24/1431811624.db2.gz JXPAZTQHCLNTQS-UHFFFAOYSA-N 0 1 389.437 3.179 20 5 GGBDMN CSc1cccc(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)c1[N+](=O)[O-] ZINC000188071701 1431842431 /nfs/dbraw/zinc/84/24/31/1431842431.db2.gz ICNOAZYQCDTWAT-HNNXBMFYSA-N 0 1 377.441 3.489 20 5 GGBDMN CCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000188348442 1431875887 /nfs/dbraw/zinc/87/58/87/1431875887.db2.gz OBNLUKZDKFTHCP-SFHVURJKSA-N 0 1 398.463 3.212 20 5 GGBDMN CCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000188348442 1431875888 /nfs/dbraw/zinc/87/58/88/1431875888.db2.gz OBNLUKZDKFTHCP-SFHVURJKSA-N 0 1 398.463 3.212 20 5 GGBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4cc([N+](=O)[O-])ccc4N)C3)[nH]c2c1 ZINC000188516582 1431890994 /nfs/dbraw/zinc/89/09/94/1431890994.db2.gz HPINSGUTVAHHBL-ZDUSSCGKSA-N 0 1 379.420 3.382 20 5 GGBDMN C[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CCN1CC(C)(C)O ZINC000188669764 1431927255 /nfs/dbraw/zinc/92/72/55/1431927255.db2.gz CSLPRDZRQGNPAG-MRXNPFEDSA-N 0 1 377.488 3.305 20 5 GGBDMN C[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CCN1CC(C)(C)O ZINC000188669783 1431927418 /nfs/dbraw/zinc/92/74/18/1431927418.db2.gz CSLPRDZRQGNPAG-INIZCTEOSA-N 0 1 377.488 3.305 20 5 GGBDMN CCN(CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1ccccc1 ZINC000189575230 1432164667 /nfs/dbraw/zinc/16/46/67/1432164667.db2.gz HMRNHLVIULKQIZ-SFHVURJKSA-N 0 1 391.493 3.493 20 5 GGBDMN CCN(CC)Cc1ccccc1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189592811 1432170395 /nfs/dbraw/zinc/17/03/95/1432170395.db2.gz CWTANGFNEBWZCM-UHFFFAOYSA-N 0 1 391.493 3.452 20 5 GGBDMN CCC(CC)[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)N1CCCC1 ZINC000189630067 1432185370 /nfs/dbraw/zinc/18/53/70/1432185370.db2.gz VZRHZUNUTWOKQX-KRWDZBQOSA-N 0 1 383.514 3.311 20 5 GGBDMN CCN(C)Cc1cccc(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c1 ZINC000189722054 1432214947 /nfs/dbraw/zinc/21/49/47/1432214947.db2.gz PCEBUYKUTICLJA-UHFFFAOYSA-N 0 1 377.466 3.062 20 5 GGBDMN CC[C@@](C)(O)CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000189739844 1432220444 /nfs/dbraw/zinc/22/04/44/1432220444.db2.gz DGBSDSPCVIARBD-JOCHJYFZSA-N 0 1 397.475 3.147 20 5 GGBDMN O=C1[C@@H](NCc2ccc([N+](=O)[O-])cc2)CCCN1Cc1ccc(F)cc1F ZINC000189785064 1432234297 /nfs/dbraw/zinc/23/42/97/1432234297.db2.gz DONSTWIHRYIIFX-SFHVURJKSA-N 0 1 375.375 3.154 20 5 GGBDMN CC(C)c1ccc(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000190343601 1432364810 /nfs/dbraw/zinc/36/48/10/1432364810.db2.gz UDKJJUHRKGHQRX-OALUTQOASA-N 0 1 397.475 3.083 20 5 GGBDMN CC(C)c1ccc(C(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000190343601 1432364813 /nfs/dbraw/zinc/36/48/13/1432364813.db2.gz UDKJJUHRKGHQRX-OALUTQOASA-N 0 1 397.475 3.083 20 5 GGBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(c1ccccc1)C1CCN(C)CC1 ZINC000190385524 1432371357 /nfs/dbraw/zinc/37/13/57/1432371357.db2.gz YJJPAERVOOLQMX-UHFFFAOYSA-N 0 1 389.477 3.193 20 5 GGBDMN Cc1ccc(S(=O)(=O)N(c2ccccc2)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000190387120 1432371868 /nfs/dbraw/zinc/37/18/68/1432371868.db2.gz CPAKRNOGAHNQNB-UHFFFAOYSA-N 0 1 389.477 3.193 20 5 GGBDMN CN1CCC(N(c2ccccc2)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000190387065 1432371876 /nfs/dbraw/zinc/37/18/76/1432371876.db2.gz AFMFYBPYLVWRML-UHFFFAOYSA-N 0 1 389.477 3.025 20 5 GGBDMN CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1c[nH]c2ccccc12 ZINC000190455631 1432385346 /nfs/dbraw/zinc/38/53/46/1432385346.db2.gz FGENTUZPGHUCKF-UHFFFAOYSA-N 0 1 378.432 3.487 20 5 GGBDMN CCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1c[nH]c2ccccc12 ZINC000190455631 1432385353 /nfs/dbraw/zinc/38/53/53/1432385353.db2.gz FGENTUZPGHUCKF-UHFFFAOYSA-N 0 1 378.432 3.487 20 5 GGBDMN CCN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1c[nH]c2ccccc12 ZINC000190490794 1432391647 /nfs/dbraw/zinc/39/16/47/1432391647.db2.gz KSMISZBBYLLFRM-UHFFFAOYSA-N 0 1 378.432 3.487 20 5 GGBDMN CCc1ccc([C@@H]2CN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)CCO2)cc1 ZINC000190897611 1432523409 /nfs/dbraw/zinc/52/34/09/1432523409.db2.gz AZOJMSZMGUSWGO-SFHVURJKSA-N 0 1 380.404 3.247 20 5 GGBDMN CCC[C@@H]1CN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CCN1CCOC ZINC000191413249 1432656971 /nfs/dbraw/zinc/65/69/71/1432656971.db2.gz WQNLPCGWFZKRPE-MRXNPFEDSA-N 0 1 378.473 3.176 20 5 GGBDMN C[C@@H](N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192111735 1432799996 /nfs/dbraw/zinc/79/99/96/1432799996.db2.gz WLXCBPBOGGTIJT-DPZKZMLUSA-N 0 1 391.374 3.320 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192124754 1432802177 /nfs/dbraw/zinc/80/21/77/1432802177.db2.gz JVZLQIJRNGSUJY-VQIMIIECSA-N 0 1 391.374 3.240 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192124759 1432802187 /nfs/dbraw/zinc/80/21/87/1432802187.db2.gz JVZLQIJRNGSUJY-QFBILLFUSA-N 0 1 391.374 3.240 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192124771 1432802243 /nfs/dbraw/zinc/80/22/43/1432802243.db2.gz JVZLQIJRNGSUJY-LPHOPBHVSA-N 0 1 391.374 3.240 20 5 GGBDMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000192144395 1432806713 /nfs/dbraw/zinc/80/67/13/1432806713.db2.gz DYFYYEVAIXKITD-UHFFFAOYSA-N 0 1 391.471 3.399 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1CCCc2c(O)cccc21 ZINC000192351106 1432835300 /nfs/dbraw/zinc/83/53/00/1432835300.db2.gz SYTUBRJKUYQIJM-LRDDRELGSA-N 0 1 385.420 3.303 20 5 GGBDMN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000192562650 1432860480 /nfs/dbraw/zinc/86/04/80/1432860480.db2.gz BLISKSBBXXFRTP-UHFFFAOYSA-N 0 1 393.831 3.025 20 5 GGBDMN CNS(=O)(=O)c1cccc([C@H](C)N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192811090 1432893598 /nfs/dbraw/zinc/89/35/98/1432893598.db2.gz RSBOFJYSGZVSPE-ORAYPTAESA-N 0 1 389.477 3.231 20 5 GGBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1n[nH]c(COc3ccccc3)n1)CCC2 ZINC000193299692 1432975769 /nfs/dbraw/zinc/97/57/69/1432975769.db2.gz LECLMWRTMUTIJZ-GOSISDBHSA-N 0 1 379.420 3.459 20 5 GGBDMN Cc1ccccc1CN1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000193631725 1433031249 /nfs/dbraw/zinc/03/12/49/1433031249.db2.gz LIDQQXMKHYOMDO-UHFFFAOYSA-N 0 1 380.448 3.110 20 5 GGBDMN CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000193750175 1433051849 /nfs/dbraw/zinc/05/18/49/1433051849.db2.gz OIPMHGMPFVIPBV-UHFFFAOYSA-N 0 1 394.428 3.334 20 5 GGBDMN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC3(c4nnc[nH]4)CCC3)cc2[N+](=O)[O-])C1 ZINC000194292872 1433156870 /nfs/dbraw/zinc/15/68/70/1433156870.db2.gz ALEAKRCSDWYQSH-ZIAGYGMSSA-N 0 1 398.467 3.004 20 5 GGBDMN CSc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000194321230 1433160896 /nfs/dbraw/zinc/16/08/96/1433160896.db2.gz KORLBFRWYYDQFE-INIZCTEOSA-N 0 1 377.441 3.489 20 5 GGBDMN CC(C)[N@H+](C)Cc1ccccc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194345319 1433164757 /nfs/dbraw/zinc/16/47/57/1433164757.db2.gz JVGRXCKGELNQNJ-UHFFFAOYSA-N 0 1 395.456 3.053 20 5 GGBDMN CC(C)[N@@H+](C)Cc1ccccc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194345319 1433164759 /nfs/dbraw/zinc/16/47/59/1433164759.db2.gz JVGRXCKGELNQNJ-UHFFFAOYSA-N 0 1 395.456 3.053 20 5 GGBDMN CCN(CC)[C@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC)c1ccco1 ZINC000194480651 1433185147 /nfs/dbraw/zinc/18/51/47/1433185147.db2.gz DIRJGZROQIYRTN-MRXNPFEDSA-N 0 1 390.440 3.079 20 5 GGBDMN O=[N+]([O-])c1cc(CSc2nc(Cc3ccccc3)n[nH]2)c2c(c1)COCO2 ZINC000194603598 1433204267 /nfs/dbraw/zinc/20/42/67/1433204267.db2.gz JBLQEDVZNCHMND-UHFFFAOYSA-N 0 1 384.417 3.463 20 5 GGBDMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194780690 1433230226 /nfs/dbraw/zinc/23/02/26/1433230226.db2.gz CFRUZKVBTHZFAK-UHFFFAOYSA-N 0 1 398.463 3.306 20 5 GGBDMN CCOC(=O)[C@]1(C(C)C)CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000194858553 1433250095 /nfs/dbraw/zinc/25/00/95/1433250095.db2.gz CRLRHOWZEZSQMN-LJQANCHMSA-N 0 1 388.424 3.056 20 5 GGBDMN CCOC(=O)[C@]1(C(C)C)CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000194860890 1433250765 /nfs/dbraw/zinc/25/07/65/1433250765.db2.gz DQHQKHKNIUJXRM-LJQANCHMSA-N 0 1 388.424 3.056 20 5 GGBDMN O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000194970122 1433274494 /nfs/dbraw/zinc/27/44/94/1433274494.db2.gz UIIIVQOCNNSLJV-KRWDZBQOSA-N 0 1 381.392 3.373 20 5 GGBDMN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000195684304 1433344643 /nfs/dbraw/zinc/34/46/43/1433344643.db2.gz OMOQNWHSTVZBGA-UHFFFAOYSA-N 0 1 396.491 3.400 20 5 GGBDMN Cc1cc(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc([N+](=O)[O-])c1 ZINC000195694067 1433345021 /nfs/dbraw/zinc/34/50/21/1433345021.db2.gz BILGSYQHMLHVMK-IRXDYDNUSA-N 0 1 397.475 3.442 20 5 GGBDMN CC(=O)Nc1cccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000236620712 1433374840 /nfs/dbraw/zinc/37/48/40/1433374840.db2.gz BIWIPBAANTXNBN-UHFFFAOYSA-N 0 1 379.420 3.244 20 5 GGBDMN CCNC(=O)c1cccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000236983750 1433384859 /nfs/dbraw/zinc/38/48/59/1433384859.db2.gz XUZGXUNQEBNTEZ-UHFFFAOYSA-N 0 1 393.447 3.035 20 5 GGBDMN C[C@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCN1 ZINC000237560695 1433409591 /nfs/dbraw/zinc/40/95/91/1433409591.db2.gz HUOPNHDTEVECPQ-LBPRGKRZSA-N 0 1 375.812 3.474 20 5 GGBDMN C[C@@H]1CN(C(=O)c2ccc(CNCc3ccccc3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000237658782 1433415374 /nfs/dbraw/zinc/41/53/74/1433415374.db2.gz IGUSIAOZGCRMMG-HZPDHXFCSA-N 0 1 383.448 3.134 20 5 GGBDMN O=C1[C@H](NCc2cccc([N+](=O)[O-])c2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000237750359 1433421087 /nfs/dbraw/zinc/42/10/87/1433421087.db2.gz SSLHFDBZVYGLRJ-MRXNPFEDSA-N 0 1 395.337 3.389 20 5 GGBDMN O=C1[C@@H](NCc2cccc([N+](=O)[O-])c2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000237750820 1433421103 /nfs/dbraw/zinc/42/11/03/1433421103.db2.gz SSLHFDBZVYGLRJ-INIZCTEOSA-N 0 1 395.337 3.389 20 5 GGBDMN O=C1[C@H](NCc2ccc([N+](=O)[O-])cc2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000237750309 1433421214 /nfs/dbraw/zinc/42/12/14/1433421214.db2.gz FLDKQVKRKQHRNQ-MRXNPFEDSA-N 0 1 395.337 3.389 20 5 GGBDMN Cn1cc(CNCc2ccccc2[N+](=O)[O-])c(-c2ccc3c(c2)OCCCO3)n1 ZINC000237772423 1433422895 /nfs/dbraw/zinc/42/28/95/1433422895.db2.gz XIFJAVWCVLFLKN-UHFFFAOYSA-N 0 1 394.431 3.446 20 5 GGBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000245448265 1433469592 /nfs/dbraw/zinc/46/95/92/1433469592.db2.gz MTKGJUNTXUAXAC-FUHWJXTLSA-N 0 1 383.448 3.461 20 5 GGBDMN Cc1c(NC(=O)CCN2CC[N@H+](C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000245682655 1433498767 /nfs/dbraw/zinc/49/87/67/1433498767.db2.gz KHTHUFPPHXYJJQ-FQEVSTJZSA-N 0 1 382.464 3.221 20 5 GGBDMN O=C(C[C@@H]1CCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000246429276 1433611689 /nfs/dbraw/zinc/61/16/89/1433611689.db2.gz DAGVWTIZERDOAD-GOEBONIOSA-N 0 1 390.461 3.133 20 5 GGBDMN CCc1nc(C)c([C@H](C)N(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000246524535 1433625269 /nfs/dbraw/zinc/62/52/69/1433625269.db2.gz BYYGHRIKRNRLRX-DZGCQCFKSA-N 0 1 379.482 3.355 20 5 GGBDMN C[C@@H](NC(=O)[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000246689144 1433650395 /nfs/dbraw/zinc/65/03/95/1433650395.db2.gz IKJKSOUJSXUMON-ZNMIVQPWSA-N 0 1 399.447 3.283 20 5 GGBDMN COc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC)N2CCCC2)c1 ZINC000248139323 1433773326 /nfs/dbraw/zinc/77/33/26/1433773326.db2.gz OTLIDWGDQQBMFO-LJQANCHMSA-N 0 1 399.447 3.179 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000248148286 1433774904 /nfs/dbraw/zinc/77/49/04/1433774904.db2.gz UIYFAEVDUHWVCM-OAHLLOKOSA-N 0 1 385.468 3.301 20 5 GGBDMN COc1cc(CN2CC[C@]3(O)CCCC[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000248183724 1433778645 /nfs/dbraw/zinc/77/86/45/1433778645.db2.gz WXZJIBLEDHEAMP-SCLBCKFNSA-N 0 1 386.395 3.332 20 5 GGBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000248444394 1433803215 /nfs/dbraw/zinc/80/32/15/1433803215.db2.gz FXDJQDPXZWMZOP-DOTOQJQBSA-N 0 1 392.839 3.141 20 5 GGBDMN C[C@H](N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000249078874 1433834196 /nfs/dbraw/zinc/83/41/96/1433834196.db2.gz RHTLRSDHMDYPKB-PDSMFRHLSA-N 0 1 391.374 3.320 20 5 GGBDMN C[C@@H]1CN(c2ccc(CN[C@H]3CCCc4ccc([N+](=O)[O-])cc43)cn2)CCO1 ZINC000253354909 1433865703 /nfs/dbraw/zinc/86/57/03/1433865703.db2.gz QWZXJYGEECKSDA-QRWLVFNGSA-N 0 1 382.464 3.382 20 5 GGBDMN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261675907 1433898889 /nfs/dbraw/zinc/89/88/89/1433898889.db2.gz AKTONWMKLUMDRA-QGZVFWFLSA-N 0 1 389.839 3.190 20 5 GGBDMN COc1ccc(C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000262141534 1433928476 /nfs/dbraw/zinc/92/84/76/1433928476.db2.gz XEPRHHIPECABDC-INIZCTEOSA-N 0 1 375.812 3.044 20 5 GGBDMN COc1ccc(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000262141535 1433928531 /nfs/dbraw/zinc/92/85/31/1433928531.db2.gz XEPRHHIPECABDC-MRXNPFEDSA-N 0 1 375.812 3.044 20 5 GGBDMN COc1cc(C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000263026271 1433978713 /nfs/dbraw/zinc/97/87/13/1433978713.db2.gz AQPAJUNXYKAASG-NSHDSACASA-N 0 1 388.367 3.282 20 5 GGBDMN CC[N@@H+](CC(=O)[O-])C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000263507019 1434009846 /nfs/dbraw/zinc/00/98/46/1434009846.db2.gz MIOIJNFQELYEAP-UHFFFAOYSA-N 0 1 387.436 3.226 20 5 GGBDMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000263522160 1434011303 /nfs/dbraw/zinc/01/13/03/1434011303.db2.gz ROEBSRSEDVNLPC-MRXNPFEDSA-N 0 1 387.436 3.226 20 5 GGBDMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000263531182 1434011988 /nfs/dbraw/zinc/01/19/88/1434011988.db2.gz WOHXGBTXHMQJEV-UHFFFAOYSA-N 0 1 399.447 3.272 20 5 GGBDMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000263560373 1434013194 /nfs/dbraw/zinc/01/31/94/1434013194.db2.gz RCHYBEGPTSMBSS-MRXNPFEDSA-N 0 1 384.436 3.032 20 5 GGBDMN Cc1cc(N2CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000263567791 1434013797 /nfs/dbraw/zinc/01/37/97/1434013797.db2.gz XVCQPRRBJKYJMG-GFCCVEGCSA-N 0 1 389.374 3.297 20 5 GGBDMN COc1cc(CNCc2ccccc2Cn2ccnc2)c([N+](=O)[O-])cc1OC ZINC000263692473 1434021755 /nfs/dbraw/zinc/02/17/55/1434021755.db2.gz PHWWGQPSHCBXKB-UHFFFAOYSA-N 0 1 382.420 3.147 20 5 GGBDMN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1SC ZINC000264071416 1434069035 /nfs/dbraw/zinc/06/90/35/1434069035.db2.gz DYIAOICJOKEPLL-AWEZNQCLSA-N 0 1 395.506 3.420 20 5 GGBDMN COc1ccc2c(c1)C(=O)N(C1CC1)[C@@H](c1cc(OC)c(O)c([N+](=O)[O-])c1)N2 ZINC000264443177 1434113445 /nfs/dbraw/zinc/11/34/45/1434113445.db2.gz RAVHRNQLOCBREK-SFHVURJKSA-N 0 1 385.376 3.047 20 5 GGBDMN CC(C)(C(=O)NC1CCN(Cc2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000265815010 1434267521 /nfs/dbraw/zinc/26/75/21/1434267521.db2.gz QEELHVBBSBNATM-UHFFFAOYSA-N 0 1 382.464 3.048 20 5 GGBDMN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@H](c1ccco1)N1CCCC1 ZINC000266131250 1434305867 /nfs/dbraw/zinc/30/58/67/1434305867.db2.gz OKZIKOSNBBYSFA-QGZVFWFLSA-N 0 1 386.408 3.393 20 5 GGBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266355043 1434323901 /nfs/dbraw/zinc/32/39/01/1434323901.db2.gz JEVWYHXFKXQMLN-UHFFFAOYSA-N 0 1 397.479 3.019 20 5 GGBDMN COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(CN(C)C)ccn2)cc1SC ZINC000267266617 1434417937 /nfs/dbraw/zinc/41/79/37/1434417937.db2.gz PJISNRMXKPJXET-UHFFFAOYSA-N 0 1 376.438 3.034 20 5 GGBDMN CC[C@@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000268780796 1434556483 /nfs/dbraw/zinc/55/64/83/1434556483.db2.gz AHHWIYLSBWATFL-HXUWFJFHSA-N 0 1 383.448 3.308 20 5 GGBDMN Cc1c([C@H](C)NCc2cccc(C(=O)N3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000268819175 1434560931 /nfs/dbraw/zinc/56/09/31/1434560931.db2.gz REDITCOWAZINQS-INIZCTEOSA-N 0 1 383.448 3.226 20 5 GGBDMN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268920948 1434571296 /nfs/dbraw/zinc/57/12/96/1434571296.db2.gz URFOSIHMKBOETN-LIRRHRJNSA-N 0 1 380.448 3.392 20 5 GGBDMN COc1ccc(C(=O)C2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)cc1 ZINC000269121562 1434594563 /nfs/dbraw/zinc/59/45/63/1434594563.db2.gz HHWLXVFQXVBVTO-UHFFFAOYSA-N 0 1 384.388 3.044 20 5 GGBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)c1[N+](=O)[O-] ZINC000269163875 1434600085 /nfs/dbraw/zinc/60/00/85/1434600085.db2.gz ZEUUINICTTXLFS-AAEUAGOBSA-N 0 1 378.454 3.060 20 5 GGBDMN O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269178806 1434602494 /nfs/dbraw/zinc/60/24/94/1434602494.db2.gz KRIQCLNWKPBMHO-CYBMUJFWSA-N 0 1 375.450 3.004 20 5 GGBDMN COc1cc(C)c(CN(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1OC ZINC000269356850 1434630378 /nfs/dbraw/zinc/63/03/78/1434630378.db2.gz UKBZTGXXVPBTHG-UHFFFAOYSA-N 0 1 376.413 3.039 20 5 GGBDMN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269366089 1434631891 /nfs/dbraw/zinc/63/18/91/1434631891.db2.gz KRONZRWVPGVLIG-UHFFFAOYSA-N 0 1 387.440 3.241 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1[N+](=O)[O-] ZINC000269380633 1434634918 /nfs/dbraw/zinc/63/49/18/1434634918.db2.gz JJIFNANLOYQIGI-ZDUSSCGKSA-N 0 1 384.396 3.421 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N(Cc2ccncc2)Cc2cccnc2)c1[N+](=O)[O-] ZINC000269390195 1434636378 /nfs/dbraw/zinc/63/63/78/1434636378.db2.gz LQSLUZDTTFRXEZ-UHFFFAOYSA-N 0 1 380.408 3.074 20 5 GGBDMN COc1cc(CN(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])ccc1SC ZINC000269393729 1434637277 /nfs/dbraw/zinc/63/72/77/1434637277.db2.gz MNTOMCNMVAYEBE-UHFFFAOYSA-N 0 1 378.454 3.444 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)c1[N+](=O)[O-] ZINC000269473271 1434650998 /nfs/dbraw/zinc/65/09/98/1434650998.db2.gz UYYYZQHTGXKPOM-AWEZNQCLSA-N 0 1 382.424 3.305 20 5 GGBDMN Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])o1 ZINC000269487795 1434652985 /nfs/dbraw/zinc/65/29/85/1434652985.db2.gz LAZLYBCHUKHSNX-AWEZNQCLSA-N 0 1 396.407 3.073 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)c1[N+](=O)[O-] ZINC000269541436 1434657736 /nfs/dbraw/zinc/65/77/36/1434657736.db2.gz VIAGXEADBUJMBG-QYOLQKOISA-N 0 1 378.454 3.012 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1[N+](=O)[O-] ZINC000269541434 1434657875 /nfs/dbraw/zinc/65/78/75/1434657875.db2.gz VIAGXEADBUJMBG-KPHLJTLVSA-N 0 1 378.454 3.012 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)c1[N+](=O)[O-] ZINC000269554049 1434659090 /nfs/dbraw/zinc/65/90/90/1434659090.db2.gz YPJOYWKFSWZIGI-NEPJUHHUSA-N 0 1 378.454 3.231 20 5 GGBDMN CCS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000270225020 1434714907 /nfs/dbraw/zinc/71/49/07/1434714907.db2.gz NTIVJBVSAYEWRU-CYBMUJFWSA-N 0 1 378.450 3.248 20 5 GGBDMN CCS(=O)(=O)c1ccc([C@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000270225023 1434714962 /nfs/dbraw/zinc/71/49/62/1434714962.db2.gz NTIVJBVSAYEWRU-ZDUSSCGKSA-N 0 1 378.450 3.248 20 5 GGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1Cn1cnc2ccccc21 ZINC000270237104 1434715647 /nfs/dbraw/zinc/71/56/47/1434715647.db2.gz QWIPRWVIZNEUMK-AWEZNQCLSA-N 0 1 390.403 3.126 20 5 GGBDMN CC(C)c1nc([C@@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)n[nH]1 ZINC000270779386 1434774211 /nfs/dbraw/zinc/77/42/11/1434774211.db2.gz TVQFJLOHSLNCED-MRVPVSSYSA-N 0 1 384.343 3.320 20 5 GGBDMN CCOc1ccc([C@@H](C)NCc2ccc(OCCO)c(OC)c2)cc1[N+](=O)[O-] ZINC000271173681 1434806165 /nfs/dbraw/zinc/80/61/65/1434806165.db2.gz UQOASGXHRPSNQA-CQSZACIVSA-N 0 1 390.436 3.224 20 5 GGBDMN CCOc1ccc([C@H](C)NCc2ccc(OCCO)c(OC)c2)cc1[N+](=O)[O-] ZINC000271173676 1434806180 /nfs/dbraw/zinc/80/61/80/1434806180.db2.gz UQOASGXHRPSNQA-AWEZNQCLSA-N 0 1 390.436 3.224 20 5 GGBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc([S@@](C)=O)cc1 ZINC000271784444 1434850450 /nfs/dbraw/zinc/85/04/50/1434850450.db2.gz HLWAXIUZZWAXKJ-QFDBLCPBSA-N 0 1 375.450 3.010 20 5 GGBDMN C[C@@H](N[C@H](C)c1cccc(N2CCOC2=O)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000271786854 1434850564 /nfs/dbraw/zinc/85/05/64/1434850564.db2.gz JCNYGLGNTMLAES-ZIAGYGMSSA-N 0 1 398.419 3.229 20 5 GGBDMN C[C@H](N[C@@H](C)c1cccc(N2CCOC2=O)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000271786848 1434850701 /nfs/dbraw/zinc/85/07/01/1434850701.db2.gz JCNYGLGNTMLAES-KBPBESRZSA-N 0 1 398.419 3.229 20 5 GGBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000271829226 1434853282 /nfs/dbraw/zinc/85/32/82/1434853282.db2.gz QLXKIOQKLIPLJP-QFDBLCPBSA-N 0 1 375.450 3.010 20 5 GGBDMN C[C@@H](N[C@@H](C)c1cccc(N2CCOC2=O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000271848195 1434854563 /nfs/dbraw/zinc/85/45/63/1434854563.db2.gz VZWUKLAJBWEPSF-UONOGXRCSA-N 0 1 398.419 3.229 20 5 GGBDMN Cc1cc(C2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000272114300 1434872987 /nfs/dbraw/zinc/87/29/87/1434872987.db2.gz PCWNXMPAXQJANN-UHFFFAOYSA-N 0 1 383.452 3.246 20 5 GGBDMN CCCOc1cc(NC(=O)N[C@H](C)c2nnc[nH]2)c([N+](=O)[O-])cc1OCCC ZINC000272252293 1434881768 /nfs/dbraw/zinc/88/17/68/1434881768.db2.gz IRGBSFHDNBLUEN-LLVKDONJSA-N 0 1 392.416 3.173 20 5 GGBDMN COc1cc(CNC[C@@H](O)c2ccsc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272381374 1434892245 /nfs/dbraw/zinc/89/22/45/1434892245.db2.gz HRTWSHIYLLIICT-CYBMUJFWSA-N 0 1 388.392 3.132 20 5 GGBDMN CN(C)[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000272587005 1434911411 /nfs/dbraw/zinc/91/14/11/1434911411.db2.gz ZLASKEBDHYXQAQ-AEFFLSMTSA-N 0 1 385.493 3.372 20 5 GGBDMN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272643439 1434918958 /nfs/dbraw/zinc/91/89/58/1434918958.db2.gz LXXAYXSHZLZDDM-CQSZACIVSA-N 0 1 398.467 3.363 20 5 GGBDMN Cc1nc(CN2CCN(c3cc(C)nc4ccc([N+](=O)[O-])cc43)CC2)oc1C ZINC000272870546 1434937604 /nfs/dbraw/zinc/93/76/04/1434937604.db2.gz SJVLGDMVBZEGBP-UHFFFAOYSA-N 0 1 381.436 3.378 20 5 GGBDMN Cc1c(NC(=O)[C@H](C)N[C@H](C)c2ccc([S@@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000272942504 1434942978 /nfs/dbraw/zinc/94/29/78/1434942978.db2.gz LFOTVMXFUWNOQN-MWSMCUOVSA-N 0 1 389.477 3.318 20 5 GGBDMN Cc1cc(C2CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC2)[nH]n1 ZINC000272947974 1434943297 /nfs/dbraw/zinc/94/32/97/1434943297.db2.gz MBMPNHQQAQEHIJ-UHFFFAOYSA-N 0 1 377.832 3.098 20 5 GGBDMN O=[N+]([O-])c1cnc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000273153559 1434967062 /nfs/dbraw/zinc/96/70/62/1434967062.db2.gz IJRVMXMWAZNLFD-UHFFFAOYSA-N 0 1 381.358 3.116 20 5 GGBDMN O=[N+]([O-])c1cc(-c2nc([C@@H]3CN4CCC[C@@H]4CO3)no2)cc(C(F)(F)F)c1 ZINC000274084295 1435042333 /nfs/dbraw/zinc/04/23/33/1435042333.db2.gz TVLLVKQASNHFOB-YPMHNXCESA-N 0 1 384.314 3.199 20 5 GGBDMN CN(C)[C@@]1(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCSC1 ZINC000275788408 1435169554 /nfs/dbraw/zinc/16/95/54/1435169554.db2.gz NTIHGMFQIJKHPF-OAQYLSRUSA-N 0 1 381.501 3.261 20 5 GGBDMN COCc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000276874125 1435239401 /nfs/dbraw/zinc/23/94/01/1435239401.db2.gz LJSAEYHDYWPZMQ-UHFFFAOYSA-N 0 1 395.393 3.067 20 5 GGBDMN CCOc1cc(CN2CCC(c3nnc4n3CCCC4)CC2)ccc1[N+](=O)[O-] ZINC000276886966 1435240212 /nfs/dbraw/zinc/24/02/12/1435240212.db2.gz JPSBXWHGBKDPHJ-UHFFFAOYSA-N 0 1 385.468 3.301 20 5 GGBDMN COc1cc(C(=O)Nc2cccc(N3CCC[NH+]=C3[O-])c2)cc([N+](=O)[O-])c1C ZINC000276895452 1435240751 /nfs/dbraw/zinc/24/07/51/1435240751.db2.gz MSPOMPZOVQHZJJ-UHFFFAOYSA-N 0 1 384.392 3.084 20 5 GGBDMN Cc1noc(C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c2ccccc2)n1 ZINC000277215890 1435279579 /nfs/dbraw/zinc/27/95/79/1435279579.db2.gz NOXHHLKTXSCWBK-SFHVURJKSA-N 0 1 395.419 3.107 20 5 GGBDMN Cc1noc(C[C@H](N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000277229715 1435282051 /nfs/dbraw/zinc/28/20/51/1435282051.db2.gz GPHSVRBTMXWJGP-UGSOOPFHSA-N 0 1 395.419 3.187 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N2CCC(O)(c3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000277381664 1435300623 /nfs/dbraw/zinc/30/06/23/1435300623.db2.gz CJSIDAAXGQBAKX-UHFFFAOYSA-N 0 1 392.843 3.219 20 5 GGBDMN Cc1noc(C[C@H](N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277432735 1435304501 /nfs/dbraw/zinc/30/45/01/1435304501.db2.gz QDQFASZJCRIRMR-ACJLOTCBSA-N 0 1 395.419 3.187 20 5 GGBDMN CC(C)(C)OC(=O)C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-] ZINC000277545396 1435311748 /nfs/dbraw/zinc/31/17/48/1435311748.db2.gz ZXBVHMOQXMSFTQ-OAHLLOKOSA-N 0 1 390.392 3.129 20 5 GGBDMN O=[N+]([O-])c1cc(CN2CCC(CO)(Cc3ccccc3)CC2)c2c(c1)COCO2 ZINC000277704556 1435323342 /nfs/dbraw/zinc/32/33/42/1435323342.db2.gz HYZLSZYAOUHHCI-UHFFFAOYSA-N 0 1 398.459 3.279 20 5 GGBDMN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC1CCN(Cc2ccncc2)CC1 ZINC000278182728 1435367359 /nfs/dbraw/zinc/36/73/59/1435367359.db2.gz DFSKNZJFBHJDOX-UHFFFAOYSA-N 0 1 381.358 3.480 20 5 GGBDMN COc1cc(CNC[C@@H](O)c2cc(F)cc(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000278691362 1435414536 /nfs/dbraw/zinc/41/45/36/1435414536.db2.gz IXOTXMQJYHTKCH-OAHLLOKOSA-N 0 1 384.791 3.228 20 5 GGBDMN COCCN(C)c1ccc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cn1 ZINC000278757869 1435420670 /nfs/dbraw/zinc/42/06/70/1435420670.db2.gz NTTJZDOSZNMYSI-UHFFFAOYSA-N 0 1 398.385 3.381 20 5 GGBDMN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)CCCCCO ZINC000278776904 1435422740 /nfs/dbraw/zinc/42/27/40/1435422740.db2.gz CTVZOLGKXBMRMY-CYBMUJFWSA-N 0 1 392.481 3.140 20 5 GGBDMN O=C1[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCN1Cc1ccccn1 ZINC000278863147 1435432566 /nfs/dbraw/zinc/43/25/66/1435432566.db2.gz WLPBXHLBNVSPDV-VQTJNVASSA-N 0 1 380.448 3.148 20 5 GGBDMN CC1(C)C[C@H](NCc2cccnc2N2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279102377 1435460511 /nfs/dbraw/zinc/46/05/11/1435460511.db2.gz OJVCZXZPSZIDOL-IBGZPJMESA-N 0 1 382.464 3.339 20 5 GGBDMN CC1(C)C[C@@H](N[C@H]2CCCN(Cc3ccccn3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000279139809 1435464395 /nfs/dbraw/zinc/46/43/95/1435464395.db2.gz RUJHOWZZPBYYQR-VQTJNVASSA-N 0 1 394.475 3.493 20 5 GGBDMN C[C@H](Nc1ccc(C(=O)NCCN2CC=CCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000280370870 1435646013 /nfs/dbraw/zinc/64/60/13/1435646013.db2.gz YXHJNYFICMLKCN-INIZCTEOSA-N 0 1 395.463 3.155 20 5 GGBDMN C[C@@H](Nc1ccc(C(=O)NCCN2CC=CCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000280370872 1435646314 /nfs/dbraw/zinc/64/63/14/1435646314.db2.gz YXHJNYFICMLKCN-MRXNPFEDSA-N 0 1 395.463 3.155 20 5 GGBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000280613025 1435689564 /nfs/dbraw/zinc/68/95/64/1435689564.db2.gz ZESFMTYXGWRTPR-RKDXNWHRSA-N 0 1 383.811 3.439 20 5 GGBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000280612994 1435689608 /nfs/dbraw/zinc/68/96/08/1435689608.db2.gz ZESFMTYXGWRTPR-BDAKNGLRSA-N 0 1 383.811 3.439 20 5 GGBDMN Cc1ccc([C@H](NCCOc2ccccc2[N+](=O)[O-])[C@H](C)S(C)(=O)=O)cc1 ZINC000280818980 1435725763 /nfs/dbraw/zinc/72/57/63/1435725763.db2.gz NANLKICSBSQPFV-HNAYVOBHSA-N 0 1 392.477 3.046 20 5 GGBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])n[nH]1 ZINC000281542938 1435812937 /nfs/dbraw/zinc/81/29/37/1435812937.db2.gz KLUHTOIEQYBLPV-QWHCGFSZSA-N 0 1 375.429 3.181 20 5 GGBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])n[nH]1 ZINC000281542940 1435812954 /nfs/dbraw/zinc/81/29/54/1435812954.db2.gz KLUHTOIEQYBLPV-STQMWFEESA-N 0 1 375.429 3.181 20 5 GGBDMN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000282749659 1435858923 /nfs/dbraw/zinc/85/89/23/1435858923.db2.gz YTEPRHHMMASILX-GOSISDBHSA-N 0 1 386.452 3.209 20 5 GGBDMN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000282749678 1435858933 /nfs/dbraw/zinc/85/89/33/1435858933.db2.gz YTEPRHHMMASILX-SFHVURJKSA-N 0 1 386.452 3.209 20 5 GGBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)c1 ZINC000283363735 1435886127 /nfs/dbraw/zinc/88/61/27/1435886127.db2.gz DKIUKPXOTFNSSC-SFHVURJKSA-N 0 1 375.400 3.165 20 5 GGBDMN CC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1CN1CCC(O)CC1 ZINC000283772848 1435921022 /nfs/dbraw/zinc/92/10/22/1435921022.db2.gz PCHMPUIWKKDOGZ-UHFFFAOYSA-N 0 1 383.448 3.366 20 5 GGBDMN CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284252074 1436007530 /nfs/dbraw/zinc/00/75/30/1436007530.db2.gz RIGZZQGJKUWOKF-QWHCGFSZSA-N 0 1 377.466 3.382 20 5 GGBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000284463232 1436023631 /nfs/dbraw/zinc/02/36/31/1436023631.db2.gz SAEHPXYBNIFBQG-CYBMUJFWSA-N 0 1 385.424 3.009 20 5 GGBDMN O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc([NH+]2CCCCCC2)cc1 ZINC000823624751 1443341199 /nfs/dbraw/zinc/34/11/99/1443341199.db2.gz IFNNPIYOZDTAHA-UHFFFAOYSA-N 0 1 380.412 3.294 20 5 GGBDMN CC[NH+](CC)CCC[C@@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821188919 1443584387 /nfs/dbraw/zinc/58/43/87/1443584387.db2.gz GHLOYCGQDCKJGR-CYBMUJFWSA-N 0 1 398.471 3.246 20 5 GGBDMN C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824658246 1447064153 /nfs/dbraw/zinc/06/41/53/1447064153.db2.gz VFHYNVAXAWICHL-GOEBONIOSA-N 0 1 393.451 3.097 20 5 GGBDMN C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824658246 1447064156 /nfs/dbraw/zinc/06/41/56/1447064156.db2.gz VFHYNVAXAWICHL-GOEBONIOSA-N 0 1 393.451 3.097 20 5 GGBDMN C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824658246 1447064162 /nfs/dbraw/zinc/06/41/62/1447064162.db2.gz VFHYNVAXAWICHL-GOEBONIOSA-N 0 1 393.451 3.097 20 5 GGBDMN C[N@@H+]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000826029944 1447105685 /nfs/dbraw/zinc/10/56/85/1447105685.db2.gz YJPZYXMDCZDQIZ-NVXWUHKLSA-N 0 1 399.842 3.286 20 5 GGBDMN C[N@H+]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000826029944 1447105690 /nfs/dbraw/zinc/10/56/90/1447105690.db2.gz YJPZYXMDCZDQIZ-NVXWUHKLSA-N 0 1 399.842 3.286 20 5 GGBDMN Cc1nc(CN2CCCC23CCN(c2nc(C)ncc2[N+](=O)[O-])CC3)cs1 ZINC001164693780 719807898 /nfs/dbraw/zinc/80/78/98/719807898.db2.gz REVOHYIBKFHCDP-UHFFFAOYSA-N 0 1 388.497 3.093 20 5 GGBDMN CC(C)Oc1nc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)ccc1[N+](=O)[O-] ZINC001164729389 720453615 /nfs/dbraw/zinc/45/36/15/720453615.db2.gz HIVLYFZJJWIOTK-IAGOWNOFSA-N 0 1 383.452 3.025 20 5 GGBDMN CC(C)N(C)Cc1cnc2n1CCN(c1cc(Cl)cc([N+](=O)[O-])n1)[C@H]2C ZINC001164860054 720948657 /nfs/dbraw/zinc/94/86/57/720948657.db2.gz PMJPUZUAFTXQHM-LBPRGKRZSA-N 0 1 378.864 3.261 20 5 GGBDMN O=[N+]([O-])c1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164901064 721512085 /nfs/dbraw/zinc/51/20/85/721512085.db2.gz WHNLTSUTKORLOK-GDBMZVCRSA-N 0 1 392.818 3.124 20 5 GGBDMN O=[N+]([O-])c1ccnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164908336 721584618 /nfs/dbraw/zinc/58/46/18/721584618.db2.gz YKCXZEPDNJRZGF-SFHVURJKSA-N 0 1 389.406 3.123 20 5 GGBDMN O=[N+]([O-])c1ccc2nc(Cl)cc(N3CCN(C[C@H]4CCCO4)CC3)c2c1 ZINC001165038708 721919196 /nfs/dbraw/zinc/91/91/96/721919196.db2.gz OXFNMDRVIBIZMZ-CQSZACIVSA-N 0 1 376.844 3.097 20 5 GGBDMN Cc1ccc(CN2CCOC3(CCN(c4nccc(C)c4[N+](=O)[O-])CC3)C2)cc1 ZINC001164940996 721922576 /nfs/dbraw/zinc/92/25/76/721922576.db2.gz YKRANFIRPAZLFA-UHFFFAOYSA-N 0 1 396.491 3.478 20 5 GGBDMN O=[N+]([O-])c1cnc(N2CCN(CCOc3ccccc3)CC2)c2ccccc21 ZINC001165044196 721955753 /nfs/dbraw/zinc/95/57/53/721955753.db2.gz IZWVVVNNCHHHGV-UHFFFAOYSA-N 0 1 378.432 3.344 20 5 GGBDMN COc1nc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC001164993939 722195742 /nfs/dbraw/zinc/19/57/42/722195742.db2.gz JODRDARAHKHMKD-HXUWFJFHSA-N 0 1 386.427 3.382 20 5 GGBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)cc1OC ZINC000593742467 953754707 /nfs/dbraw/zinc/75/47/07/953754707.db2.gz MTRMNEAAJXVVEJ-UONOGXRCSA-N 0 1 380.441 3.325 20 5 GGBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](C(=O)[O-])C2)cc1OC ZINC000593742465 953755043 /nfs/dbraw/zinc/75/50/43/953755043.db2.gz MTRMNEAAJXVVEJ-KBPBESRZSA-N 0 1 380.441 3.325 20 5 GGBDMN COc1cc(C[N@H+]2CCCC[C@H]2CC(=O)[O-])c([N+](=O)[O-])cc1OCC(F)F ZINC000593744299 953755671 /nfs/dbraw/zinc/75/56/71/953755671.db2.gz CMZJLSKJDUIHQG-LBPRGKRZSA-N 0 1 388.367 3.077 20 5 GGBDMN O=C([O-])[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)Cc2ccccc21 ZINC001594954839 954982625 /nfs/dbraw/zinc/98/26/25/954982625.db2.gz BLVICIVQGQOCIN-GOSISDBHSA-N 0 1 379.372 3.434 20 5 GGBDMN O=C([O-])[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)Cc2ccccc21 ZINC001594954839 954982635 /nfs/dbraw/zinc/98/26/35/954982635.db2.gz BLVICIVQGQOCIN-GOSISDBHSA-N 0 1 379.372 3.434 20 5 GGBDMN O=C([O-])[C@@H]1c2ccccc2CC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001594964257 955034287 /nfs/dbraw/zinc/03/42/87/955034287.db2.gz FJGNBTCXONCACU-SFHVURJKSA-N 0 1 379.372 3.434 20 5 GGBDMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001594964257 955034293 /nfs/dbraw/zinc/03/42/93/955034293.db2.gz FJGNBTCXONCACU-SFHVURJKSA-N 0 1 379.372 3.434 20 5 GGBDMN CCOc1cc(N2CC[NH+](Cc3ccc(C(=O)[O-])s3)CC2)ccc1[N+](=O)[O-] ZINC000903685999 956866116 /nfs/dbraw/zinc/86/61/16/956866116.db2.gz CDDHYJUMPMLAKH-UHFFFAOYSA-N 0 1 391.449 3.075 20 5 GGBDMN Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000263576668 962742900 /nfs/dbraw/zinc/74/29/00/962742900.db2.gz QREGNYQHADZVQC-LJQANCHMSA-N 0 1 397.431 3.380 20 5 GGBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000363849409 968056132 /nfs/dbraw/zinc/05/61/32/968056132.db2.gz GTIOGSYLQIDOGN-AWEZNQCLSA-N 0 1 397.431 3.500 20 5 GGBDMN O=C([O-])c1ccccc1C1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000375356314 968063390 /nfs/dbraw/zinc/06/33/90/968063390.db2.gz NLEQXGKQJGBWGZ-UHFFFAOYSA-N 0 1 383.404 3.111 20 5 GGBDMN CC[C@]1(C(=O)[O-])CCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001603609641 973875498 /nfs/dbraw/zinc/87/54/98/973875498.db2.gz LOXBLIIDVWXWMP-DIFFPNOSSA-N 0 1 383.832 3.152 20 5 GGBDMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001603609641 973875505 /nfs/dbraw/zinc/87/55/05/973875505.db2.gz LOXBLIIDVWXWMP-DIFFPNOSSA-N 0 1 383.832 3.152 20 5 GGBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000518381466 974322197 /nfs/dbraw/zinc/32/21/97/974322197.db2.gz SDIHVQHOCZNCLI-DYVFJYSZSA-N 0 1 384.436 3.319 20 5 GGBDMN O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000518306107 974322623 /nfs/dbraw/zinc/32/26/23/974322623.db2.gz MPIPWKLZOMRBFT-INIZCTEOSA-N 0 1 384.436 3.402 20 5 GGBDMN O=C([O-])c1cnc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000563205020 974519678 /nfs/dbraw/zinc/51/96/78/974519678.db2.gz CYVIIPVIEPRXAK-LBPRGKRZSA-N 0 1 376.438 3.074 20 5 GGBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000563538164 974535740 /nfs/dbraw/zinc/53/57/40/974535740.db2.gz RVWMCGSYTVGMAD-OAHLLOKOSA-N 0 1 390.484 3.477 20 5 GGBDMN Cc1cc(NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565038731 974564751 /nfs/dbraw/zinc/56/47/51/974564751.db2.gz VVADOUGYAQUOTI-OAHLLOKOSA-N 0 1 399.447 3.434 20 5 GGBDMN Cc1cc(NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565038731 974564760 /nfs/dbraw/zinc/56/47/60/974564760.db2.gz VVADOUGYAQUOTI-OAHLLOKOSA-N 0 1 399.447 3.434 20 5 GGBDMN Cc1cc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566291896 974603389 /nfs/dbraw/zinc/60/33/89/974603389.db2.gz NORLNRIDABJQJL-SFHVURJKSA-N 0 1 399.447 3.170 20 5 GGBDMN O=C([O-])CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(F)c(F)c1 ZINC000566362059 974610713 /nfs/dbraw/zinc/61/07/13/974610713.db2.gz NHZXUNDEMXYOKL-UHFFFAOYSA-N 0 1 380.347 3.229 20 5 GGBDMN O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000567275538 974630550 /nfs/dbraw/zinc/63/05/50/974630550.db2.gz POTNXDJXPWEGMO-OAQYLSRUSA-N 0 1 381.432 3.395 20 5 GGBDMN CCOc1ccc(C[NH+]2CCN(c3cc(C)c([N+](=O)[O-])cc3C(=O)[O-])CC2)cc1 ZINC000569697019 974697031 /nfs/dbraw/zinc/69/70/31/974697031.db2.gz FYBQBYFHLYUNHO-UHFFFAOYSA-N 0 1 399.447 3.322 20 5 GGBDMN Cc1cc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000569977544 974702906 /nfs/dbraw/zinc/70/29/06/974702906.db2.gz OZYBWCKBLLAQBI-CALCHBBNSA-N 0 1 381.432 3.170 20 5 GGBDMN O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000572042719 974740923 /nfs/dbraw/zinc/74/09/23/974740923.db2.gz AHGWZMGFQGLHQE-GFCCVEGCSA-N 0 1 376.438 3.074 20 5 GGBDMN C[C@H](C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1)C(=O)[O-] ZINC000572532965 974749843 /nfs/dbraw/zinc/74/98/43/974749843.db2.gz LOMRVICZDCPCEU-CQSZACIVSA-N 0 1 396.403 3.368 20 5 GGBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)n1 ZINC000575127850 974795511 /nfs/dbraw/zinc/79/55/11/974795511.db2.gz SGBLTVDJSDNACB-OAHLLOKOSA-N 0 1 398.463 3.405 20 5 GGBDMN COc1cc(C[N@@H+]([C@@H](C)C(=O)[O-])C2CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000578339738 974852751 /nfs/dbraw/zinc/85/27/51/974852751.db2.gz ONXPPSJCTKPWDR-JTQLQIEISA-N 0 1 388.367 3.075 20 5 GGBDMN C[C@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000582005815 974919287 /nfs/dbraw/zinc/91/92/87/974919287.db2.gz MODTYTVCKLVFGF-GFCCVEGCSA-N 0 1 375.450 3.142 20 5 GGBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1 ZINC000593741919 974986807 /nfs/dbraw/zinc/98/68/07/974986807.db2.gz SUQMHZLMUAGKQR-HBFSDRIKSA-N 0 1 382.416 3.298 20 5 GGBDMN CC(C)n1cc2c(n1)[C@H]([NH2+]Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)CCC2 ZINC001592131705 976969397 /nfs/dbraw/zinc/96/93/97/976969397.db2.gz XAALEONVOZGJKF-OAHLLOKOSA-N 0 1 388.424 3.003 20 5 GGBDMN C[C@](CC(=O)[O-])([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])c1ccncc1 ZINC001592316669 977695260 /nfs/dbraw/zinc/69/52/60/977695260.db2.gz CSWDGHRWVVVAFU-MRXNPFEDSA-N 0 1 394.225 3.232 20 5 GGBDMN C[C@](CC(=O)[O-])([NH2+]Cc1cccc([N+](=O)[O-])c1Br)c1cccnc1 ZINC001592329036 977752207 /nfs/dbraw/zinc/75/22/07/977752207.db2.gz QFAAMIPOZAZGSX-MRXNPFEDSA-N 0 1 394.225 3.232 20 5 GGBDMN O=C([O-])[C@H]1CCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000833772436 979240316 /nfs/dbraw/zinc/24/03/16/979240316.db2.gz LWIQBGWDODFANK-LJQANCHMSA-N 0 1 392.415 3.497 20 5 GGBDMN O=C([O-])Cc1ccc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000844206956 979355087 /nfs/dbraw/zinc/35/50/87/979355087.db2.gz QVRBUCWVMGAEAT-QPJJXVBHSA-N 0 1 381.432 3.057 20 5 GGBDMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844207201 979356070 /nfs/dbraw/zinc/35/60/70/979356070.db2.gz CBFRXJLHVMAJHE-WBVHZDCISA-N 0 1 375.469 3.313 20 5 GGBDMN CCc1ccc(C[NH+]2CCN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])CC2)s1 ZINC000844207680 979356795 /nfs/dbraw/zinc/35/67/95/979356795.db2.gz BFTVVBNPUSOSOF-UHFFFAOYSA-N 0 1 389.477 3.168 20 5 GGBDMN O=C([O-])C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846269563 979435398 /nfs/dbraw/zinc/43/53/98/979435398.db2.gz SFDJGWHTLCEHJM-MRXNPFEDSA-N 0 1 398.337 3.234 20 5 GGBDMN O=C([O-])CC[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000901678947 980441633 /nfs/dbraw/zinc/44/16/33/980441633.db2.gz TUKQCQAFYUWRSP-CYBMUJFWSA-N 0 1 376.331 3.069 20 5 GGBDMN CO[C@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC000902031708 980703323 /nfs/dbraw/zinc/70/33/23/980703323.db2.gz LFBQMHRQBZTIOE-FXAWDEMLSA-N 0 1 399.447 3.427 20 5 GGBDMN CC[C@](C)(C(=O)[O-])[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC1CC1 ZINC001594778319 981775780 /nfs/dbraw/zinc/77/57/80/981775780.db2.gz OGRTUHNHVZQMCG-QGZVFWFLSA-N 0 1 383.832 3.152 20 5 GGBDMN CCOCCC[N@H+]1CC[C@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 ZINC001596917459 985962047 /nfs/dbraw/zinc/96/20/47/985962047.db2.gz WYLFPHURNKTHBS-ZEXGLFEZSA-N 0 1 391.468 3.242 20 5 GGBDMN C[C@@H]1C[N@H+](CCCCNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C[C@H](C)O1 ZINC001594527615 986081224 /nfs/dbraw/zinc/08/12/24/986081224.db2.gz HBGXCABUBINEAF-TXEJJXNPSA-N 0 1 385.848 3.248 20 5 GGBDMN C[C@H]1C[NH+](Cc2cccc(Nc3ncc(C(=O)[O-])cc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC001594542004 986175985 /nfs/dbraw/zinc/17/59/85/986175985.db2.gz AQNZJCQQNIQPSZ-STQMWFEESA-N 0 1 386.408 3.041 20 5 GGBDMN CC(C)(O)C[N@H+]1CCc2c(cccc2Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001590899193 990854508 /nfs/dbraw/zinc/85/45/08/990854508.db2.gz SEFWSIRCIAAZPP-UHFFFAOYSA-N 0 1 385.420 3.166 20 5 GGBDMN COc1nsc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1C(=O)[O-] ZINC001599742245 991875812 /nfs/dbraw/zinc/87/58/12/991875812.db2.gz MSQLVLIYUGEBIM-UHFFFAOYSA-N 0 1 391.327 3.067 20 5 GGBDMN CC(C)C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC(C)(C)C(=O)[O-] ZINC001591290747 992238861 /nfs/dbraw/zinc/23/88/61/992238861.db2.gz FSWACNSSUKEQJW-UHFFFAOYSA-N 0 1 385.848 3.256 20 5 GGBDMN CC(C)C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(C)(C)C(=O)[O-] ZINC001591321794 992289869 /nfs/dbraw/zinc/28/98/69/992289869.db2.gz IQVYUBYJMCSYGW-UHFFFAOYSA-N 0 1 383.420 3.131 20 5 GGBDMN C[N@@H+](Cc1ccccc1)C1CN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001598529107 992756410 /nfs/dbraw/zinc/75/64/10/992756410.db2.gz UATAVFWQDSEGBE-UHFFFAOYSA-N 0 1 375.812 3.267 20 5 GGBDMN C[C@@]([NH2+]Cc1cc2c(cc1Cl)OCCO2)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593292491 994677225 /nfs/dbraw/zinc/67/72/25/994677225.db2.gz MINZGIVRICWKPF-SFHVURJKSA-N 0 1 392.795 3.109 20 5 GGBDMN C[C@]([NH2+]Cc1cc2c(cc1Cl)OCCO2)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593292489 994677336 /nfs/dbraw/zinc/67/73/36/994677336.db2.gz MINZGIVRICWKPF-GOSISDBHSA-N 0 1 392.795 3.109 20 5 GGBDMN COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598689752 995046039 /nfs/dbraw/zinc/04/60/39/995046039.db2.gz QIMAVDKQBRVCAK-AWEZNQCLSA-N 0 1 386.404 3.104 20 5 GGBDMN C[C@H](c1cccc(NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC001593702852 996177573 /nfs/dbraw/zinc/17/75/73/996177573.db2.gz FQTUUMJUNQPRBN-CQSZACIVSA-N 0 1 385.420 3.298 20 5 GGBDMN COc1cc(Cl)ccc1C[NH2+]Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001599421512 997602897 /nfs/dbraw/zinc/60/28/97/997602897.db2.gz VIPYUVREZCOKMH-UHFFFAOYSA-N 0 1 380.784 3.010 20 5 GGBDMN COc1cc(F)c([C@H](C)[NH2+]Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1OC ZINC001599425109 997660305 /nfs/dbraw/zinc/66/03/05/997660305.db2.gz DHCGXXCZDZABRD-JTQLQIEISA-N 0 1 378.356 3.300 20 5 GGBDMN COc1ccc([C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)C(=O)[O-])cc1O ZINC001599532147 997674534 /nfs/dbraw/zinc/67/45/34/997674534.db2.gz PDEAQNVHIDYKQM-GOSISDBHSA-N 0 1 390.392 3.012 20 5 GGBDMN COc1ccc(C[N@H+]2CC[C@@H]2CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001599561051 998195637 /nfs/dbraw/zinc/19/56/37/998195637.db2.gz CCTIWQWTKHXNRV-VWTAQGJOSA-N 0 1 397.431 3.388 20 5 GGBDMN COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001599461995 998289521 /nfs/dbraw/zinc/28/95/21/998289521.db2.gz GPQGGKOPJNUJDY-JKSUJKDBSA-N 0 1 392.358 3.182 20 5 GGBDMN COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001599462350 998296366 /nfs/dbraw/zinc/29/63/66/998296366.db2.gz NXFYWQZLGBZQES-UHFFFAOYSA-N 0 1 391.449 3.213 20 5 GGBDMN COc1ccc(C[NH2+]Cc2ccc(C(=O)[O-])cc2Br)cc1[N+](=O)[O-] ZINC001599573190 998398401 /nfs/dbraw/zinc/39/84/01/998398401.db2.gz UCDDEYQSDKSAGJ-UHFFFAOYSA-N 0 1 395.209 3.354 20 5 GGBDMN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594297405 999147153 /nfs/dbraw/zinc/14/71/53/999147153.db2.gz WXJACUKWTNBMJM-TZMCWYRMSA-N 0 1 378.425 3.235 20 5 GGBDMN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001594329264 999264622 /nfs/dbraw/zinc/26/46/22/999264622.db2.gz VKUNVWCLDDKJSL-JXIYXGQPSA-N 0 1 376.453 3.445 20 5 GGBDMN C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594425922 999590445 /nfs/dbraw/zinc/59/04/45/999590445.db2.gz CEQQWSPVHPYRHD-MRXNPFEDSA-N 0 1 383.448 3.389 20 5 GGBDMN CCCc1csc(C[NH2+][C@@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])n1 ZINC000417568052 1126080495 /nfs/dbraw/zinc/08/04/95/1126080495.db2.gz SVDGWRSLGUSVNG-INIZCTEOSA-N 0 1 388.449 3.271 20 5 GGBDMN COc1ccc([C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)N(C)C)cc1OC ZINC000040001149 205045306 /nfs/dbraw/zinc/04/53/06/205045306.db2.gz PQXDGZMHFPJRGK-MRXNPFEDSA-N 0 1 388.424 3.036 20 5 GGBDMN CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000057157115 205155681 /nfs/dbraw/zinc/15/56/81/205155681.db2.gz DOXDZUSANMWOIB-UHFFFAOYSA-N 0 1 391.449 3.314 20 5 GGBDMN CC(C)[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCCO2 ZINC000024750004 519820525 /nfs/dbraw/zinc/82/05/25/519820525.db2.gz WIGRZJOIAXMKIR-SFHVURJKSA-N 0 1 396.403 3.369 20 5 GGBDMN Cc1csc(C(C)(C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000116378596 564209368 /nfs/dbraw/zinc/20/93/68/564209368.db2.gz HYBJJJUZCONNRM-UHFFFAOYSA-N 0 1 375.859 3.227 20 5 GGBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000116449258 564210298 /nfs/dbraw/zinc/21/02/98/564210298.db2.gz UHXMUDIPMKYNKP-LBPRGKRZSA-N 0 1 379.214 3.366 20 5 GGBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000121182858 564358126 /nfs/dbraw/zinc/35/81/26/564358126.db2.gz LXUQCQGYXBSSKG-UHFFFAOYSA-N 0 1 375.328 3.372 20 5 GGBDMN Cc1ccc(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cn1 ZINC000121292673 564363021 /nfs/dbraw/zinc/36/30/21/564363021.db2.gz BYNCFHBMXWHCSK-UHFFFAOYSA-N 0 1 386.227 3.170 20 5 GGBDMN O=C(NCC1(N2CCSCC2)CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000029371871 564369956 /nfs/dbraw/zinc/36/99/56/564369956.db2.gz UXHZCHMRNBFTEQ-UHFFFAOYSA-N 0 1 383.901 3.340 20 5 GGBDMN COc1cc(OC)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000030529996 564382412 /nfs/dbraw/zinc/38/24/12/564382412.db2.gz GYCKNBYVSDXPII-UHFFFAOYSA-N 0 1 386.813 3.375 20 5 GGBDMN CC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000121978826 564395063 /nfs/dbraw/zinc/39/50/63/564395063.db2.gz GCGXPAGKUSJQLZ-UHFFFAOYSA-N 0 1 387.776 3.147 20 5 GGBDMN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(F)cc2Br)c1 ZINC000037408635 564421029 /nfs/dbraw/zinc/42/10/29/564421029.db2.gz YWUUDJQSMXNGHG-UHFFFAOYSA-N 0 1 375.175 3.297 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1ccc(Br)s1 ZINC000123701328 564458714 /nfs/dbraw/zinc/45/87/14/564458714.db2.gz KOBAGGDFLZRKIZ-UHFFFAOYSA-N 0 1 395.231 3.036 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000123711552 564459246 /nfs/dbraw/zinc/45/92/46/564459246.db2.gz HJAIFYIJWHAGBR-LBPRGKRZSA-N 0 1 386.401 3.388 20 5 GGBDMN CC(C)C[C@@H](CCO)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000124107979 564471616 /nfs/dbraw/zinc/47/16/16/564471616.db2.gz CXALSYNJRRCHAR-SNVBAGLBSA-N 0 1 399.296 3.225 20 5 GGBDMN CCC(CC)(CCO)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000124236529 564476018 /nfs/dbraw/zinc/47/60/18/564476018.db2.gz ZKWNBEUUDKYGRI-UHFFFAOYSA-N 0 1 399.296 3.369 20 5 GGBDMN COc1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000124356338 564479496 /nfs/dbraw/zinc/47/94/96/564479496.db2.gz HAUWTXXYIBPLQX-UHFFFAOYSA-N 0 1 376.312 3.423 20 5 GGBDMN COc1ccc(S(=O)(=O)N[C@H](C2CCCC2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000129145785 564639648 /nfs/dbraw/zinc/63/96/48/564639648.db2.gz YCSVWVFUBPAHIJ-CYBMUJFWSA-N 0 1 382.360 3.003 20 5 GGBDMN CC(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000058495293 564683994 /nfs/dbraw/zinc/68/39/94/564683994.db2.gz PAGUSLLLWOEYHV-UHFFFAOYSA-N 0 1 383.813 3.316 20 5 GGBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]1c1ccccc1Br ZINC000132534178 564745965 /nfs/dbraw/zinc/74/59/65/564745965.db2.gz MBFSISJKYDIKAK-INIZCTEOSA-N 0 1 392.253 3.356 20 5 GGBDMN C[C@@H](CCS(C)(=O)=O)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000134586449 564808021 /nfs/dbraw/zinc/80/80/21/564808021.db2.gz KXLDDPRFCXWCBZ-NSHDSACASA-N 0 1 386.857 3.421 20 5 GGBDMN COc1ccc(F)cc1[C@H](C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146869676 564882077 /nfs/dbraw/zinc/88/20/77/564882077.db2.gz HBKGGXBESVGTHA-VIFPVBQESA-N 0 1 388.804 3.435 20 5 GGBDMN CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000106008618 564976194 /nfs/dbraw/zinc/97/61/94/564976194.db2.gz WCXGWHSIQZCKCL-UHFFFAOYSA-N 0 1 383.813 3.316 20 5 GGBDMN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2cccc3n[nH]cc32)c1 ZINC000108759493 565016204 /nfs/dbraw/zinc/01/62/04/565016204.db2.gz WIQSRHDQOQDVQI-UHFFFAOYSA-N 0 1 397.210 3.034 20 5 GGBDMN CC(=O)c1ccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000108759213 565016283 /nfs/dbraw/zinc/01/62/83/565016283.db2.gz OEKMQFZPVIFDMZ-UHFFFAOYSA-N 0 1 399.222 3.361 20 5 GGBDMN CCCc1[nH]nc(C(=O)N(C)Cc2csc(Br)c2)c1[N+](=O)[O-] ZINC000109620394 565028530 /nfs/dbraw/zinc/02/85/30/565028530.db2.gz RQXWUSMQXTWBEA-UHFFFAOYSA-N 0 1 387.259 3.367 20 5 GGBDMN C[C@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000154398205 565037522 /nfs/dbraw/zinc/03/75/22/565037522.db2.gz VYYGYZIQERPFPD-MADCSZMMSA-N 0 1 397.254 3.293 20 5 GGBDMN O=[N+]([O-])c1cnc(NC2CCN(Cc3ccccn3)CC2)c(Br)c1 ZINC000267209529 565109987 /nfs/dbraw/zinc/10/99/87/565109987.db2.gz HBKVYMLQOWBTDI-UHFFFAOYSA-N 0 1 392.257 3.224 20 5 GGBDMN CC[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000157815443 565145226 /nfs/dbraw/zinc/14/52/26/565145226.db2.gz WCQJVWKQZXPUSW-CMPLNLGQSA-N 0 1 383.253 3.138 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000185674961 565216180 /nfs/dbraw/zinc/21/61/80/565216180.db2.gz YQBKDTYOJCYCQR-CYBMUJFWSA-N 0 1 380.857 3.464 20 5 GGBDMN CC(C)c1nc([C@H](C)NC(=O)c2ccc(Br)cc2[N+](=O)[O-])n[nH]1 ZINC000271015992 565236520 /nfs/dbraw/zinc/23/65/20/565236520.db2.gz HHGLRBWOVSTDBJ-QMMMGPOBSA-N 0 1 382.218 3.090 20 5 GGBDMN CS(=O)(=O)c1cc([N+](=O)[O-])c(NC2CCN(CC3CCCC3)CC2)s1 ZINC000271307527 565247064 /nfs/dbraw/zinc/24/70/64/565247064.db2.gz RVDRSIHXBFRHID-UHFFFAOYSA-N 0 1 387.527 3.126 20 5 GGBDMN Cc1[nH]nc(C(=O)N2CC=C(c3cccc(Br)c3)CC2)c1[N+](=O)[O-] ZINC000273827338 565339270 /nfs/dbraw/zinc/33/92/70/565339270.db2.gz FCEKGISNVLMUTL-UHFFFAOYSA-N 0 1 391.225 3.318 20 5 GGBDMN Cc1cnccc1CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000167689416 565379982 /nfs/dbraw/zinc/37/99/82/565379982.db2.gz AGAQHXGQHCUKPY-UHFFFAOYSA-N 0 1 390.248 3.126 20 5 GGBDMN CCc1[nH]nc(C(=O)N(CC)Cc2cc(Br)ccc2F)c1[N+](=O)[O-] ZINC000188336860 565396004 /nfs/dbraw/zinc/39/60/04/565396004.db2.gz QQZIDVGFQZXWGZ-UHFFFAOYSA-N 0 1 399.220 3.444 20 5 GGBDMN CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1Br)N1CCN(C)CC1 ZINC000301134065 565465858 /nfs/dbraw/zinc/46/58/58/565465858.db2.gz ZRRXJAVMLQWFSS-INIZCTEOSA-N 0 1 385.306 3.041 20 5 GGBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2Br)n[nH]1 ZINC000277114343 565477248 /nfs/dbraw/zinc/47/72/48/565477248.db2.gz DUABQHCSVFWMGU-RKDXNWHRSA-N 0 1 396.245 3.480 20 5 GGBDMN CC(C)[C@H](CNc1cc(Br)ccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000301328207 565479295 /nfs/dbraw/zinc/47/92/95/565479295.db2.gz CJEIRAKATVHQDZ-INIZCTEOSA-N 0 1 385.306 3.041 20 5 GGBDMN COc1ccccc1[C@H](CNc1c(Br)cncc1[N+](=O)[O-])N(C)C ZINC000301844261 565513155 /nfs/dbraw/zinc/51/31/55/565513155.db2.gz SAYGGYQGNGRJAI-ZDUSSCGKSA-N 0 1 395.257 3.476 20 5 GGBDMN C[C@@H]1CN(C[C@H]2CCCN2c2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000302402617 565540612 /nfs/dbraw/zinc/54/06/12/565540612.db2.gz FVDKWBQSTYENNG-VNHYZAJKSA-N 0 1 398.301 3.435 20 5 GGBDMN C[C@@H](O)CN1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000302384262 565541026 /nfs/dbraw/zinc/54/10/26/565541026.db2.gz AJJQWTHUBSWNPD-NXEZZACHSA-N 0 1 381.782 3.158 20 5 GGBDMN CCc1ccc([C@H](COC)NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000173351217 565551295 /nfs/dbraw/zinc/55/12/95/565551295.db2.gz FWDRQTSJFQGKKN-LBPRGKRZSA-N 0 1 388.829 3.070 20 5 GGBDMN CCc1ccc([C@H](COC)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000173354128 565551417 /nfs/dbraw/zinc/55/14/17/565551417.db2.gz AMCGDLHHSLRCFA-ZDUSSCGKSA-N 0 1 388.829 3.070 20 5 GGBDMN Cc1ncccc1NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000174330029 565629536 /nfs/dbraw/zinc/62/95/36/565629536.db2.gz PTTJORKVCWGWMT-UHFFFAOYSA-N 0 1 386.227 3.170 20 5 GGBDMN CC(C)(CCS(C)(=O)=O)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000174638501 565648763 /nfs/dbraw/zinc/64/87/63/565648763.db2.gz YMILRGQMEIJHLD-UHFFFAOYSA-N 0 1 383.495 3.021 20 5 GGBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CCCC[C@H]1OC(F)F ZINC000410170332 565668587 /nfs/dbraw/zinc/66/85/87/565668587.db2.gz AZLRJPKFXTXSGL-MWLCHTKSSA-N 0 1 384.788 3.077 20 5 GGBDMN Cc1cncc(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 ZINC000175920177 565733693 /nfs/dbraw/zinc/73/36/93/565733693.db2.gz OSJDIRWYJBANQP-UHFFFAOYSA-N 0 1 386.227 3.170 20 5 GGBDMN Cc1ccc2nc(CNC(=O)c3ccc(Br)cc3[N+](=O)[O-])[nH]c2c1 ZINC000176055304 565744655 /nfs/dbraw/zinc/74/46/55/565744655.db2.gz KGVVKASHMRNUKM-UHFFFAOYSA-N 0 1 389.209 3.472 20 5 GGBDMN Cc1c(Br)cc(S(=O)(=O)Nc2ccccc2O)cc1[N+](=O)[O-] ZINC000176398686 565769389 /nfs/dbraw/zinc/76/93/89/565769389.db2.gz XTNNZFGFMQTMBX-UHFFFAOYSA-N 0 1 387.211 3.172 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N2CCc3c(Br)cccc3C2)c1[N+](=O)[O-] ZINC000331958456 565794625 /nfs/dbraw/zinc/79/46/25/565794625.db2.gz JTCDXGHOLAWDLZ-UHFFFAOYSA-N 0 1 393.241 3.402 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N2CCc3cccc(Br)c3C2)c1[N+](=O)[O-] ZINC000331946467 565795111 /nfs/dbraw/zinc/79/51/11/565795111.db2.gz HDYNIKAIDYFRLX-UHFFFAOYSA-N 0 1 393.241 3.402 20 5 GGBDMN CN(C)[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccs1 ZINC000176924132 565815471 /nfs/dbraw/zinc/81/54/71/565815471.db2.gz HHONKRLGECIQMN-CYBMUJFWSA-N 0 1 398.282 3.452 20 5 GGBDMN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCN(C2CCCC2)CC1 ZINC000332467907 565839482 /nfs/dbraw/zinc/83/94/82/565839482.db2.gz SVXHJKAWJUDZNU-UHFFFAOYSA-N 0 1 396.285 3.366 20 5 GGBDMN C[C@H]1CN2CCCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000332496229 565840549 /nfs/dbraw/zinc/84/05/49/565840549.db2.gz BVULCPCLHYJHGU-WCQYABFASA-N 0 1 382.258 3.056 20 5 GGBDMN C[C@H]1CN2CCCC[C@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000332509486 565841433 /nfs/dbraw/zinc/84/14/33/565841433.db2.gz HJBWBXKZZMAYRG-FZMZJTMJSA-N 0 1 382.258 3.056 20 5 GGBDMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000332509489 565841759 /nfs/dbraw/zinc/84/17/59/565841759.db2.gz HJBWBXKZZMAYRG-RISCZKNCSA-N 0 1 382.258 3.056 20 5 GGBDMN Cc1c(Br)cc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000332533195 565843208 /nfs/dbraw/zinc/84/32/08/565843208.db2.gz SWEVTBGIYIXMPM-RISCZKNCSA-N 0 1 396.285 3.365 20 5 GGBDMN Cc1c(Br)cc(C(=O)N2C[C@@H]3CCCCN3C[C@H]2C)cc1[N+](=O)[O-] ZINC000332533195 565843212 /nfs/dbraw/zinc/84/32/12/565843212.db2.gz SWEVTBGIYIXMPM-RISCZKNCSA-N 0 1 396.285 3.365 20 5 GGBDMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177351495 565844249 /nfs/dbraw/zinc/84/42/49/565844249.db2.gz TXIDBUCBNFJVSD-UHFFFAOYSA-N 0 1 393.172 3.303 20 5 GGBDMN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000195021371 565854315 /nfs/dbraw/zinc/85/43/15/565854315.db2.gz YOZWBSJBMQDALA-JTQLQIEISA-N 0 1 378.226 3.307 20 5 GGBDMN O=[N+]([O-])c1cnc(NC2CCN(Cc3ccncc3)CC2)c(Br)c1 ZINC000177544237 565858696 /nfs/dbraw/zinc/85/86/96/565858696.db2.gz OOZHKIXGABJQNC-UHFFFAOYSA-N 0 1 392.257 3.224 20 5 GGBDMN C[C@@H](NCc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284907671 565876347 /nfs/dbraw/zinc/87/63/47/565876347.db2.gz CNIKOZNCBPTPQJ-SNVBAGLBSA-N 0 1 383.857 3.085 20 5 GGBDMN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cc(CN(C)C)ccn1 ZINC000285450957 565907872 /nfs/dbraw/zinc/90/78/72/565907872.db2.gz ZETKXXRRPZRQKH-UHFFFAOYSA-N 0 1 393.241 3.375 20 5 GGBDMN COc1ccc(Cl)cc1-c1n[nH]c(SCCn2ccc([N+](=O)[O-])n2)n1 ZINC000178468665 565920960 /nfs/dbraw/zinc/92/09/60/565920960.db2.gz FPDPZNHZJFZZHJ-UHFFFAOYSA-N 0 1 380.817 3.031 20 5 GGBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)cc1 ZINC000227951241 565924349 /nfs/dbraw/zinc/92/43/49/565924349.db2.gz QLHBFTNHGGSXST-UHFFFAOYSA-N 0 1 375.175 3.297 20 5 GGBDMN Cc1ccc(NC(=O)c2ccc(I)c(O)c2)cc1[N+](=O)[O-] ZINC000230885186 565930061 /nfs/dbraw/zinc/93/00/61/565930061.db2.gz VFMHLTJTGCQVDK-UHFFFAOYSA-N 0 1 398.156 3.466 20 5 GGBDMN COC(=O)c1cc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c(C)s1 ZINC000414455392 565935795 /nfs/dbraw/zinc/93/57/95/565935795.db2.gz FROPQUNNOBJMQL-UHFFFAOYSA-N 0 1 384.435 3.169 20 5 GGBDMN COC(=O)c1cc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c(C)s1 ZINC000414466041 565937640 /nfs/dbraw/zinc/93/76/40/565937640.db2.gz YTJCWVKLHDZIDC-UHFFFAOYSA-N 0 1 384.435 3.169 20 5 GGBDMN O=[N+]([O-])c1cnc(N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(Br)c1 ZINC000179597974 565991788 /nfs/dbraw/zinc/99/17/88/565991788.db2.gz DZEXZGGNRGACSP-SNVBAGLBSA-N 0 1 393.245 3.132 20 5 GGBDMN O=[N+]([O-])c1cnc(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c(Br)c1 ZINC000179597974 565991793 /nfs/dbraw/zinc/99/17/93/565991793.db2.gz DZEXZGGNRGACSP-SNVBAGLBSA-N 0 1 393.245 3.132 20 5 GGBDMN C[C@@H](NCC(=O)Nc1ccc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000180409007 566061774 /nfs/dbraw/zinc/06/17/74/566061774.db2.gz NFXATKVHDLOKGQ-SNVBAGLBSA-N 0 1 379.214 3.042 20 5 GGBDMN C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000416532313 566082192 /nfs/dbraw/zinc/08/21/92/566082192.db2.gz FZECMRXZTBKCME-QMMMGPOBSA-N 0 1 387.870 3.233 20 5 GGBDMN O=C([N-]C[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1)C(F)(F)F ZINC000289549601 566128729 /nfs/dbraw/zinc/12/87/29/566128729.db2.gz UGTPVDBPUIDLIN-SNVBAGLBSA-N 0 1 379.766 3.139 20 5 GGBDMN O=C([N-]C[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1)C(F)(F)F ZINC000289549601 566128739 /nfs/dbraw/zinc/12/87/39/566128739.db2.gz UGTPVDBPUIDLIN-SNVBAGLBSA-N 0 1 379.766 3.139 20 5 GGBDMN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1cccnc1 ZINC000181276258 566129891 /nfs/dbraw/zinc/12/98/91/566129891.db2.gz HAJZAFMSAFMFEG-JTQLQIEISA-N 0 1 379.214 3.042 20 5 GGBDMN Cc1ccc([C@H](C)NCC(=O)Nc2ccc(Br)cn2)cc1[N+](=O)[O-] ZINC000181815166 566167496 /nfs/dbraw/zinc/16/74/96/566167496.db2.gz NWKJOKHZRDXBAC-NSHDSACASA-N 0 1 393.241 3.350 20 5 GGBDMN O=C([O-])C[N@@H+](CC1CC1)C1CC(Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000263550916 566190374 /nfs/dbraw/zinc/19/03/74/566190374.db2.gz KVFFGWIYLGXKQQ-UHFFFAOYSA-N 0 1 398.257 3.097 20 5 GGBDMN C[NH+](C)Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1Cl ZINC000481876695 566258894 /nfs/dbraw/zinc/25/88/94/566258894.db2.gz VGQGRQYXRJLYRD-UHFFFAOYSA-N 0 1 387.820 3.250 20 5 GGBDMN Cc1ccc(S(=O)(=O)[N-]c2ccc(C[NH+](C)C)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000481891488 566260887 /nfs/dbraw/zinc/26/08/87/566260887.db2.gz SSWIXANIWPLXCB-UHFFFAOYSA-N 0 1 383.857 3.419 20 5 GGBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000445074421 566266070 /nfs/dbraw/zinc/26/60/70/566266070.db2.gz NFJNZMFTGHDBJA-UHFFFAOYSA-N 0 1 386.861 3.090 20 5 GGBDMN C[N@@H+](CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000462275731 566273891 /nfs/dbraw/zinc/27/38/91/566273891.db2.gz KRVVZOFDELPMPY-UHFFFAOYSA-N 0 1 396.296 3.054 20 5 GGBDMN C[C@@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000535052017 566274971 /nfs/dbraw/zinc/27/49/71/566274971.db2.gz GWSLKLGBIKNOPY-DIYOJNKTSA-N 0 1 383.253 3.136 20 5 GGBDMN [NH3+]CCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000420470839 566280347 /nfs/dbraw/zinc/28/03/47/566280347.db2.gz XWQFUJDPPBPFFD-CQSZACIVSA-N 0 1 383.857 3.007 20 5 GGBDMN CC(C)c1nc([C@H](C)NC(=O)c2c(Br)cccc2[N+](=O)[O-])n[nH]1 ZINC000599734394 566291335 /nfs/dbraw/zinc/29/13/35/566291335.db2.gz VRBOCOJQRPHZJD-QMMMGPOBSA-N 0 1 382.218 3.090 20 5 GGBDMN CO[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000462399661 566295902 /nfs/dbraw/zinc/29/59/02/566295902.db2.gz DFUHDPHPKWHODU-AWEZNQCLSA-N 0 1 388.804 3.053 20 5 GGBDMN O=C(NC[C@H]1CCCCN1C1CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599827449 566299095 /nfs/dbraw/zinc/29/90/95/566299095.db2.gz BNRCEASRQGDYDU-GFCCVEGCSA-N 0 1 382.258 3.104 20 5 GGBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2c(Br)cccc2[N+](=O)[O-])n[nH]1 ZINC000599828196 566299210 /nfs/dbraw/zinc/29/92/10/566299210.db2.gz OWPHDIPHGJDECB-BDAKNGLRSA-N 0 1 396.245 3.480 20 5 GGBDMN COC(C)(C)C[C@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462412408 566299454 /nfs/dbraw/zinc/29/94/54/566299454.db2.gz GLZXJBCTANXHED-QMMMGPOBSA-N 0 1 385.269 3.384 20 5 GGBDMN CCN1CCC(N(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000462445505 566304720 /nfs/dbraw/zinc/30/47/20/566304720.db2.gz GULKNLZCLJVWCP-UHFFFAOYSA-N 0 1 396.296 3.006 20 5 GGBDMN C[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC000462568738 566325739 /nfs/dbraw/zinc/32/57/39/566325739.db2.gz CGXFSNSAPFFSPW-SNVBAGLBSA-N 0 1 388.804 3.133 20 5 GGBDMN O=[N+]([O-])c1ccn(CCN2CCC[C@H]2Cc2ccccc2Br)n1 ZINC000420980636 566334465 /nfs/dbraw/zinc/33/44/65/566334465.db2.gz XCICFLJQXMWSMS-AWEZNQCLSA-N 0 1 379.258 3.261 20 5 GGBDMN CO[C@H]1CCCC[C@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462700262 566343601 /nfs/dbraw/zinc/34/36/01/566343601.db2.gz ATBHMBSAGVVBSZ-PWSUYJOCSA-N 0 1 383.253 3.138 20 5 GGBDMN C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000482956406 566344645 /nfs/dbraw/zinc/34/46/45/566344645.db2.gz GQXGEEORDZBKJD-LLVKDONJSA-N 0 1 393.241 3.432 20 5 GGBDMN Cc1ncsc1CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000576435939 566344936 /nfs/dbraw/zinc/34/49/36/566344936.db2.gz CGJLMIAYLCACJX-UHFFFAOYSA-N 0 1 389.218 3.254 20 5 GGBDMN C[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cn1 ZINC000482961226 566346284 /nfs/dbraw/zinc/34/62/84/566346284.db2.gz NPYUCXHNRRXYBX-LLVKDONJSA-N 0 1 393.241 3.432 20 5 GGBDMN Cc1[nH]nc(C(=O)N2CCc3c(Br)cccc3[C@@H]2C)c1[N+](=O)[O-] ZINC000509982343 566354224 /nfs/dbraw/zinc/35/42/24/566354224.db2.gz MHGJSMTWRYSMDQ-VIFPVBQESA-N 0 1 379.214 3.148 20 5 GGBDMN COc1ccc(S(=O)(=O)Nc2ccc(SC)cc2OC)cc1[N+](=O)[O-] ZINC000446618885 566357562 /nfs/dbraw/zinc/35/75/62/566357562.db2.gz BPXDAXUARUYRRM-UHFFFAOYSA-N 0 1 384.435 3.135 20 5 GGBDMN Nc1nc(Sc2nc(-c3cc(Cl)cc(Cl)c3)n[nH]2)ncc1[N+](=O)[O-] ZINC000462904569 566367173 /nfs/dbraw/zinc/36/71/73/566367173.db2.gz HBRSZKXNPOLJDU-UHFFFAOYSA-N 0 1 384.208 3.040 20 5 GGBDMN COc1ccc(S(=O)(=O)NC2(C(F)(F)F)CCCCC2)c([N+](=O)[O-])c1 ZINC000510219667 566371391 /nfs/dbraw/zinc/37/13/91/566371391.db2.gz GWGXCUKNQIKATQ-UHFFFAOYSA-N 0 1 382.360 3.147 20 5 GGBDMN O=[N+]([O-])c1cc(I)cc(CNCc2cccc(O)c2)c1 ZINC000557537786 566394958 /nfs/dbraw/zinc/39/49/58/566394958.db2.gz OIROACRCPWFPEZ-UHFFFAOYSA-N 0 1 384.173 3.195 20 5 GGBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2Cc2ccccc2Br)c1[N+](=O)[O-] ZINC000421915752 566416999 /nfs/dbraw/zinc/41/69/99/566416999.db2.gz INZIYCMVSTZARP-LBPRGKRZSA-N 0 1 393.241 3.236 20 5 GGBDMN Cc1ccc(-c2cc(=NC(=O)c3ccc([N+](=O)[O-])cc3Br)[nH][nH]2)o1 ZINC000447800880 566432295 /nfs/dbraw/zinc/43/22/95/566432295.db2.gz YSZSZCLMYXFNAW-UHFFFAOYSA-N 0 1 391.181 3.323 20 5 GGBDMN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1C(F)(F)F ZINC000447793031 566432491 /nfs/dbraw/zinc/43/24/91/566432491.db2.gz CKSFQIBVUVFWJA-UHFFFAOYSA-N 0 1 376.312 3.423 20 5 GGBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H](CO)CC1CCCC1 ZINC000511184706 566444066 /nfs/dbraw/zinc/44/40/66/566444066.db2.gz FCYSXMAUZGNABU-NSHDSACASA-N 0 1 397.280 3.121 20 5 GGBDMN COc1ccc(S(=O)(=O)N[C@H](CC(C)(C)C)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000537565001 566451367 /nfs/dbraw/zinc/45/13/67/566451367.db2.gz RGQGJTWNGSLHDG-GFCCVEGCSA-N 0 1 384.376 3.249 20 5 GGBDMN COc1ccc(S(=O)(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000537565002 566452007 /nfs/dbraw/zinc/45/20/07/566452007.db2.gz RGQGJTWNGSLHDG-LBPRGKRZSA-N 0 1 384.376 3.249 20 5 GGBDMN O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@@H](N2CCOCC2)CC1 ZINC000577865611 566471382 /nfs/dbraw/zinc/47/13/82/566471382.db2.gz HVZZZOSABJUTSV-CQSZACIVSA-N 0 1 384.274 3.048 20 5 GGBDMN C[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1cccnc1 ZINC000558459927 566474348 /nfs/dbraw/zinc/47/43/48/566474348.db2.gz HQVMVSWLBXRXEQ-JTQLQIEISA-N 0 1 383.189 3.445 20 5 GGBDMN CC(=O)NC1CCC(N(C)Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602609094 566479528 /nfs/dbraw/zinc/47/95/28/566479528.db2.gz RFXUEAXADGZDEC-UHFFFAOYSA-N 0 1 390.303 3.298 20 5 GGBDMN O=[N+]([O-])c1sc(CN[C@H]2CCN(c3ccccn3)C2)cc1Br ZINC000602575413 566480593 /nfs/dbraw/zinc/48/05/93/566480593.db2.gz HHHFPOOCZTUDKX-JTQLQIEISA-N 0 1 383.271 3.182 20 5 GGBDMN O=[N+]([O-])c1sc(CNCCOCC(F)(F)C(F)F)cc1Br ZINC000602630738 566481544 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566998430 /nfs/dbraw/zinc/99/84/30/566998430.db2.gz PAEUXACEKKECEX-UHFFFAOYSA-N 0 1 380.491 3.270 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)c1[N+](=O)[O-] ZINC000452844539 567023262 /nfs/dbraw/zinc/02/32/62/567023262.db2.gz KQIHSIJGUWAOQE-LLVKDONJSA-N 0 1 393.241 3.273 20 5 GGBDMN COc1ccc(CNCc2cc(I)cc([N+](=O)[O-])c2)cc1 ZINC000584380035 567038719 /nfs/dbraw/zinc/03/87/19/567038719.db2.gz GYUWWDHBBXPLSO-UHFFFAOYSA-N 0 1 398.200 3.498 20 5 GGBDMN O=[N+]([O-])c1cnn(CCN2CC=C(c3cccc(Br)c3)CC2)c1 ZINC000545880202 567085507 /nfs/dbraw/zinc/08/55/07/567085507.db2.gz XNXQNKMALPTXPF-UHFFFAOYSA-N 0 1 377.242 3.343 20 5 GGBDMN C[C@@H](C[NH+]1CCCCC1)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000473948552 567119250 /nfs/dbraw/zinc/11/92/50/567119250.db2.gz XXWXGDDUIWILAW-JTQLQIEISA-N 0 1 396.296 3.054 20 5 GGBDMN O=C1[C@H](NCc2cccc([N+](=O)[O-])c2)CCN1c1cccc(Br)c1 ZINC000432339545 567151897 /nfs/dbraw/zinc/15/18/97/567151897.db2.gz SRHQZAUDWNSTEF-MRXNPFEDSA-N 0 1 390.237 3.252 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCc2sc(Cl)cc21 ZINC000589236454 567170063 /nfs/dbraw/zinc/17/00/63/567170063.db2.gz BMYPNWYCEGQKGJ-SECBINFHSA-N 0 1 376.818 3.415 20 5 GGBDMN Cc1cc(I)ccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432587630 567170676 /nfs/dbraw/zinc/17/06/76/567170676.db2.gz LXZWLNOIFGFLMU-UHFFFAOYSA-N 0 1 398.156 3.466 20 5 GGBDMN O=C(Nc1cc(F)cc(Cl)c1O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000474450833 567172788 /nfs/dbraw/zinc/17/27/88/567172788.db2.gz XJEBHSKDIZSCPU-UHFFFAOYSA-N 0 1 386.788 3.430 20 5 GGBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2cc(Br)ccc2F)c1 ZINC000566632476 567174465 /nfs/dbraw/zinc/17/44/65/567174465.db2.gz FVWVYEHOOUUDOS-CQSZACIVSA-N 0 1 399.216 3.026 20 5 GGBDMN CCCC[N@@H+]1CCCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000523908797 567176706 /nfs/dbraw/zinc/17/67/06/567176706.db2.gz QAZRCEITIBZRIW-ZDUSSCGKSA-N 0 1 389.905 3.181 20 5 GGBDMN CCCC[N@H+]1CCCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000523908797 567176717 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Cc1cc(S(=O)(=O)Nc2ccc(-c3csnn3)cc2)ccc1[N+](=O)[O-] ZINC000524550099 567203254 /nfs/dbraw/zinc/20/32/54/567203254.db2.gz GDPDLNGWJPMTLL-UHFFFAOYSA-N 0 1 376.419 3.223 20 5 GGBDMN C[N@H+](CCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000524641086 567207601 /nfs/dbraw/zinc/20/76/01/567207601.db2.gz OOALTXPUUGUMSE-UHFFFAOYSA-N 0 1 389.905 3.181 20 5 GGBDMN C[N@@H+](CCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000524641086 567207609 /nfs/dbraw/zinc/20/76/09/567207609.db2.gz OOALTXPUUGUMSE-UHFFFAOYSA-N 0 1 389.905 3.181 20 5 GGBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1n[nH]c2cc(O)ccc21 ZINC000590558834 567232261 /nfs/dbraw/zinc/23/22/61/567232261.db2.gz WVJMOUVEGUPIJZ-UHFFFAOYSA-N 0 1 391.181 3.120 20 5 GGBDMN C[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000525184706 567232771 /nfs/dbraw/zinc/23/27/71/567232771.db2.gz MOTDWFFEHDXEHZ-SSDOTTSWSA-N 0 1 394.211 3.475 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000525386564 567246366 /nfs/dbraw/zinc/24/63/66/567246366.db2.gz WJTCSGGJGGVMPJ-UFBFGSQYSA-N 0 1 388.779 3.361 20 5 GGBDMN C[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC000525698515 567259423 /nfs/dbraw/zinc/25/94/23/567259423.db2.gz IPTWRGOSYVSECY-SECBINFHSA-N 0 1 375.328 3.048 20 5 GGBDMN COc1cc(Br)c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1OC ZINC000475606305 567260930 /nfs/dbraw/zinc/26/09/30/567260930.db2.gz KDXLANDTRALBQC-UHFFFAOYSA-N 0 1 397.181 3.332 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2cccc(Br)c2)c1[N+](=O)[O-] ZINC000433714031 567267544 /nfs/dbraw/zinc/26/75/44/567267544.db2.gz OXBGXDQIYHGEOW-UHFFFAOYSA-N 0 1 381.230 3.476 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000433859284 567278610 /nfs/dbraw/zinc/27/86/10/567278610.db2.gz NVFQFXQQIUDQNY-UHFFFAOYSA-N 0 1 381.230 3.476 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2ccccc2Br)c1[N+](=O)[O-] ZINC000433870430 567280239 /nfs/dbraw/zinc/28/02/39/567280239.db2.gz YAKCWLRVGAZBCZ-UHFFFAOYSA-N 0 1 381.230 3.476 20 5 GGBDMN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1Cl ZINC000475825259 567280528 /nfs/dbraw/zinc/28/05/28/567280528.db2.gz BGXYCSTUIPGRRE-UHFFFAOYSA-N 0 1 387.776 3.147 20 5 GGBDMN Cc1cc(Br)ccc1NC(=O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000500091926 567299202 /nfs/dbraw/zinc/29/92/02/567299202.db2.gz MYXBZHZPWDVFDY-UHFFFAOYSA-N 0 1 378.226 3.394 20 5 GGBDMN CCN(Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000568330464 567320016 /nfs/dbraw/zinc/32/00/16/567320016.db2.gz LCJFCUXHGOHUEM-AWEZNQCLSA-N 0 1 390.221 3.200 20 5 GGBDMN Cn1cnc([N+](=O)[O-])c1CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000476522269 567330700 /nfs/dbraw/zinc/33/07/00/567330700.db2.gz RDPNJUFPNSTGGB-UHFFFAOYSA-N 0 1 395.242 3.168 20 5 GGBDMN C[NH+](C)Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)ccc1Cl ZINC000500786813 567345174 /nfs/dbraw/zinc/34/51/74/567345174.db2.gz LRIXWURLFSGXGP-UHFFFAOYSA-N 0 1 387.820 3.250 20 5 GGBDMN CCCN(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)[C@@H]1CCN(C)C1 ZINC000592829805 567368704 /nfs/dbraw/zinc/36/87/04/567368704.db2.gz ZUZSUDFPYYUUAM-GFCCVEGCSA-N 0 1 384.274 3.222 20 5 GGBDMN CC[C@@H](C)N1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 ZINC000456523678 567387874 /nfs/dbraw/zinc/38/78/74/567387874.db2.gz FOIXZFGFNPGSIF-LLVKDONJSA-N 0 1 384.274 3.222 20 5 GGBDMN Cc1c(Br)cc(C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1[N+](=O)[O-] ZINC000477328942 567390283 /nfs/dbraw/zinc/39/02/83/567390283.db2.gz ZSXPCHUSAXKMLL-SECBINFHSA-N 0 1 396.245 3.398 20 5 GGBDMN COC[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000436178269 567411870 /nfs/dbraw/zinc/41/18/70/567411870.db2.gz LVIDCKKQOKENEX-CYBMUJFWSA-N 0 1 388.804 3.053 20 5 GGBDMN COC(=O)c1ccc(O)c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000436502509 567430436 /nfs/dbraw/zinc/43/04/36/567430436.db2.gz HMHNHNKMZHXOJI-UHFFFAOYSA-N 0 1 395.165 3.102 20 5 GGBDMN CC(C)(CN1CCCC1)NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000457054860 567436340 /nfs/dbraw/zinc/43/63/40/567436340.db2.gz RDPJKZPJMOCEKE-UHFFFAOYSA-N 0 1 376.276 3.023 20 5 GGBDMN O=[N+]([O-])c1cc(I)cc(CNc2cc3c(cn2)CCC3)c1 ZINC000550306689 567440360 /nfs/dbraw/zinc/44/03/60/567440360.db2.gz IHBUJKUZENXUIN-UHFFFAOYSA-N 0 1 395.200 3.117 20 5 GGBDMN CCC(C)(C)N1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000594389834 567473390 /nfs/dbraw/zinc/47/33/90/567473390.db2.gz OEBWDHKDFIHJCQ-UHFFFAOYSA-N 0 1 384.274 3.304 20 5 GGBDMN COc1cc(/C=C\c2nc(N(C)C)ncc2Br)cc([N+](=O)[O-])c1O ZINC000619864621 567484067 /nfs/dbraw/zinc/48/40/67/567484067.db2.gz MLROKSGLXNNIPP-PLNGDYQASA-N 0 1 395.213 3.098 20 5 GGBDMN Cc1cc(NCc2n[nH]c([C@@H]3CCCO3)n2)c(Br)cc1[N+](=O)[O-] ZINC000594590073 567488398 /nfs/dbraw/zinc/48/83/98/567488398.db2.gz RZXDNILPLUVGJR-LBPRGKRZSA-N 0 1 382.218 3.247 20 5 GGBDMN CC(C)(C)c1nc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000458031574 567514428 /nfs/dbraw/zinc/51/44/28/567514428.db2.gz RXOASTHRZBCEHL-UHFFFAOYSA-N 0 1 383.861 3.072 20 5 GGBDMN Cc1c(Br)cc(C(=O)NCc2n[nH]c(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000458031180 567515435 /nfs/dbraw/zinc/51/54/35/567515435.db2.gz YSMXKYUAYMOLAA-UHFFFAOYSA-N 0 1 396.245 3.011 20 5 GGBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC[C@@H]1CCCCO1 ZINC000503975141 567517058 /nfs/dbraw/zinc/51/70/58/567517058.db2.gz AURWEHRTEQLCJS-JTQLQIEISA-N 0 1 383.253 3.139 20 5 GGBDMN CN(C)C[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000595346947 567556925 /nfs/dbraw/zinc/55/69/25/567556925.db2.gz YYMMTYUPKYEOEH-LLVKDONJSA-N 0 1 396.296 3.006 20 5 GGBDMN CC(C)[C@H](NCc1ccc(Br)cc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000595481110 567566511 /nfs/dbraw/zinc/56/65/11/567566511.db2.gz CXZPBTJTGQGHOQ-RYUDHWBXSA-N 0 1 385.180 3.395 20 5 GGBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2ccc(F)cc2Br)c1 ZINC000552226547 567568918 /nfs/dbraw/zinc/56/89/18/567568918.db2.gz HZRBJBISWIDYQC-AWEZNQCLSA-N 0 1 399.216 3.026 20 5 GGBDMN O=[N+]([O-])c1cc(Cl)ccc1CCNS(=O)(=O)c1c(F)cccc1F ZINC000480051558 567578841 /nfs/dbraw/zinc/57/88/41/567578841.db2.gz QKNWDLCVTGCPNV-UHFFFAOYSA-N 0 1 376.768 3.047 20 5 GGBDMN CC[C@@H](C)N[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccco1 ZINC000571708575 567583502 /nfs/dbraw/zinc/58/35/02/567583502.db2.gz JJPGAGHNIABNIO-GHMZBOCLSA-N 0 1 387.483 3.194 20 5 GGBDMN CN(Cc1cc(Br)ccc1F)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505753617 567594628 /nfs/dbraw/zinc/59/46/28/567594628.db2.gz VYZUTYBHCUNDTG-UHFFFAOYSA-N 0 1 383.173 3.474 20 5 GGBDMN COc1ccc(Br)c(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000505799029 567597328 /nfs/dbraw/zinc/59/73/28/567597328.db2.gz LIYIQUMVUGQVQW-UHFFFAOYSA-N 0 1 381.182 3.002 20 5 GGBDMN Cc1sc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])nc1-c1ccc(Cl)cc1 ZINC000480739100 567625933 /nfs/dbraw/zinc/62/59/33/567625933.db2.gz JSGCZDRLUZMFJP-UHFFFAOYSA-N 0 1 377.813 3.333 20 5 GGBDMN C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)Oc1ccccc1Br ZINC000506774825 567643341 /nfs/dbraw/zinc/64/33/41/567643341.db2.gz HVFMSJVOZKFRGF-SNVBAGLBSA-N 0 1 395.209 3.260 20 5 GGBDMN CN(Cc1ccccc1)C1CN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000553334210 567645016 /nfs/dbraw/zinc/64/50/16/567645016.db2.gz WIKRIVZLRNVRCE-UHFFFAOYSA-N 0 1 377.242 3.073 20 5 GGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000507090783 567658673 /nfs/dbraw/zinc/65/86/73/567658673.db2.gz VNVHMSIDMNCGKS-UHFFFAOYSA-N 0 1 385.203 3.242 20 5 GGBDMN O=[N+]([O-])c1cc(Br)cnc1NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000532137905 567700648 /nfs/dbraw/zinc/70/06/48/567700648.db2.gz ULSZSZPZTULNSC-UHFFFAOYSA-N 0 1 393.176 3.289 20 5 GGBDMN O=[N+]([O-])c1cc(Br)cnc1NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000532137905 567700651 /nfs/dbraw/zinc/70/06/51/567700651.db2.gz ULSZSZPZTULNSC-UHFFFAOYSA-N 0 1 393.176 3.289 20 5 GGBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(F)cc1OC(F)F ZINC000460828237 567704606 /nfs/dbraw/zinc/70/46/06/567704606.db2.gz BPLDBLIWHBZOML-UHFFFAOYSA-N 0 1 376.312 3.445 20 5 GGBDMN CSc1ccccc1[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000442858215 567712227 /nfs/dbraw/zinc/71/22/27/567712227.db2.gz RJQTWIJEJNPZCF-CYBMUJFWSA-N 0 1 380.491 3.441 20 5 GGBDMN C[C@@]1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCCC[C@@H]1O ZINC000443352634 567751508 /nfs/dbraw/zinc/75/15/08/567751508.db2.gz DOKBZKDUZXHENN-JSGCOSHPSA-N 0 1 397.280 3.121 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CC[C@@H]2c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000598422580 567764954 /nfs/dbraw/zinc/76/49/54/567764954.db2.gz FTTQUAPSXSTYOK-GFCCVEGCSA-N 0 1 379.214 3.230 20 5 GGBDMN COC(=O)c1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)c(C)s1 ZINC000598736208 567786761 /nfs/dbraw/zinc/78/67/61/567786761.db2.gz WCGZGHUMGULQSM-UHFFFAOYSA-N 0 1 384.435 3.169 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CCc3c(Br)cccc3[C@@H]2C)c1[N+](=O)[O-] ZINC000444338804 567801797 /nfs/dbraw/zinc/80/17/97/567801797.db2.gz GAYKLFFCEYGVQN-VIFPVBQESA-N 0 1 393.241 3.402 20 5 GGBDMN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCN(C2CCCC2)CC1 ZINC000599017305 567802935 /nfs/dbraw/zinc/80/29/35/567802935.db2.gz OLYQTCRNCAEKCR-UHFFFAOYSA-N 0 1 382.258 3.058 20 5 GGBDMN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1c(O)cc(Cl)cc1Cl ZINC000444638601 567809336 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ZINC000178067386 1428967118 /nfs/dbraw/zinc/96/71/18/1428967118.db2.gz DDZIVOIHJHHAJK-UHFFFAOYSA-N 0 1 393.484 3.491 20 5 GGBDMN CCO[C@@H]1C[C@@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCCC2 ZINC000127384524 1415760571 /nfs/dbraw/zinc/76/05/71/1415760571.db2.gz WOOVIQQUQFRIOK-QZTJIDSGSA-N 0 1 375.469 3.253 20 5 GGBDMN CCO[C@H]1C[C@@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCCC2 ZINC000127384783 1415760709 /nfs/dbraw/zinc/76/07/09/1415760709.db2.gz WOOVIQQUQFRIOK-MSOLQXFVSA-N 0 1 375.469 3.253 20 5 GGBDMN Cn1cc(CNCc2cccc3c2OCCCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000128486335 1415998024 /nfs/dbraw/zinc/99/80/24/1415998024.db2.gz UFGYTVZUQOKLJH-UHFFFAOYSA-N 0 1 394.431 3.446 20 5 GGBDMN Cc1ccc(-c2n[nH]c(SCC(=O)N3CCc4c3cccc4[N+](=O)[O-])n2)cc1 ZINC000178404260 1429071566 /nfs/dbraw/zinc/07/15/66/1429071566.db2.gz QCLYWTUBDYOPGO-UHFFFAOYSA-N 0 1 395.444 3.370 20 5 GGBDMN CCOC(=O)CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H](C)c1ccccc1 ZINC000129422833 1416206930 /nfs/dbraw/zinc/20/69/30/1416206930.db2.gz POOATSFBXAFKKO-ZDUSSCGKSA-N 0 1 396.403 3.238 20 5 GGBDMN CC[C@@H](C)N(CC(=O)OC(C)(C)C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000130078287 1416313388 /nfs/dbraw/zinc/31/33/88/1416313388.db2.gz RLKSRVBSRBDVRV-LLVKDONJSA-N 0 1 376.413 3.054 20 5 GGBDMN O=C(N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])s1 ZINC000130086506 1416315678 /nfs/dbraw/zinc/31/56/78/1416315678.db2.gz KDKSIMVYEPKPJV-LBPRGKRZSA-N 0 1 397.338 3.313 20 5 GGBDMN CCN(CC)[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000130725037 1416435020 /nfs/dbraw/zinc/43/50/20/1416435020.db2.gz XLASANYGDHRVLY-LJQANCHMSA-N 0 1 391.493 3.097 20 5 GGBDMN Cn1cc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(-c2cccnc2)n1 ZINC000130728668 1416436364 /nfs/dbraw/zinc/43/63/64/1416436364.db2.gz VVDGIGQDJCBPCF-UHFFFAOYSA-N 0 1 393.447 3.434 20 5 GGBDMN C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCc2ccccc2C1 ZINC000131323855 1416540255 /nfs/dbraw/zinc/54/02/55/1416540255.db2.gz XKPBHANMAKQKRZ-OAHLLOKOSA-N 0 1 392.459 3.182 20 5 GGBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000131430212 1416556551 /nfs/dbraw/zinc/55/65/51/1416556551.db2.gz MYNUSTJUQRDBJM-KRWDZBQOSA-N 0 1 393.403 3.082 20 5 GGBDMN CCCc1[nH]nc(C(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000131436189 1416557944 /nfs/dbraw/zinc/55/79/44/1416557944.db2.gz SCXFTVADMQRNRP-CYBMUJFWSA-N 0 1 388.399 3.145 20 5 GGBDMN Cc1ccc(C[NH+]2CCCC2)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000131478721 1416564008 /nfs/dbraw/zinc/56/40/08/1416564008.db2.gz RKWILXVNJRPGDD-UHFFFAOYSA-N 0 1 375.450 3.300 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NNc1c(Cl)cc(F)cc1Cl ZINC000131575520 1416578071 /nfs/dbraw/zinc/57/80/71/1416578071.db2.gz JCNASHGVVTVZKE-UHFFFAOYSA-N 0 1 398.174 3.485 20 5 GGBDMN COc1ccc(C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2ccccc2)cc1OC ZINC000131620676 1416585812 /nfs/dbraw/zinc/58/58/12/1416585812.db2.gz LMNCEAMEIGEVLK-OAHLLOKOSA-N 0 1 396.403 3.049 20 5 GGBDMN CN(c1ccccc1)c1ccc(CNC[C@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000131765053 1416615525 /nfs/dbraw/zinc/61/55/25/1416615525.db2.gz URFFCTVEZGXXOT-QGZVFWFLSA-N 0 1 389.477 3.030 20 5 GGBDMN O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000131798693 1416623221 /nfs/dbraw/zinc/62/32/21/1416623221.db2.gz DZSPANQBLYMLLD-ZDUSSCGKSA-N 0 1 396.378 3.345 20 5 GGBDMN O=[N+]([O-])c1cc(CNC[C@H]2CCCS2(=O)=O)ccc1Oc1ccc(F)cc1 ZINC000131816738 1416628004 /nfs/dbraw/zinc/62/80/04/1416628004.db2.gz RLIMWXDMQYEPJO-MRXNPFEDSA-N 0 1 394.424 3.193 20 5 GGBDMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000131874333 1416639194 /nfs/dbraw/zinc/63/91/94/1416639194.db2.gz SDEZYNZSBSUFGS-OAHLLOKOSA-N 0 1 398.419 3.240 20 5 GGBDMN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000131874560 1416639330 /nfs/dbraw/zinc/63/93/30/1416639330.db2.gz SDEZYNZSBSUFGS-HNNXBMFYSA-N 0 1 398.419 3.240 20 5 GGBDMN CCC[C@@H](NCc1cccc(S(=O)(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000132014717 1416674347 /nfs/dbraw/zinc/67/43/47/1416674347.db2.gz VBOFRNMRTNGQMD-GOSISDBHSA-N 0 1 377.466 3.134 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC000132314928 1416733726 /nfs/dbraw/zinc/73/37/26/1416733726.db2.gz BILPXZHQWCBVKV-UHFFFAOYSA-N 0 1 375.450 3.034 20 5 GGBDMN Cc1nnc(-c2ccc(NS(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)cc2)o1 ZINC000132364721 1416745535 /nfs/dbraw/zinc/74/55/35/1416745535.db2.gz DVRBQSAJSGZKFQ-UHFFFAOYSA-N 0 1 392.368 3.202 20 5 GGBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000132414871 1416755817 /nfs/dbraw/zinc/75/58/17/1416755817.db2.gz CWBMFIGLDUDBSG-OAHLLOKOSA-N 0 1 383.452 3.015 20 5 GGBDMN CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178639914 1429127079 /nfs/dbraw/zinc/12/70/79/1429127079.db2.gz TYPSNUAKIPAYOI-HNNXBMFYSA-N 0 1 391.493 3.476 20 5 GGBDMN Cc1cc(S(=O)(=O)Nc2ccccc2OCC(F)F)cc([N+](=O)[O-])c1F ZINC000132533033 1416780274 /nfs/dbraw/zinc/78/02/74/1416780274.db2.gz CFEUGXQIWHPKRJ-UHFFFAOYSA-N 0 1 390.339 3.487 20 5 GGBDMN Cc1cc(S(=O)(=O)Nc2ccc(Br)nc2)cc([N+](=O)[O-])c1F ZINC000132554922 1416784563 /nfs/dbraw/zinc/78/45/63/1416784563.db2.gz PSVBTGWBGUTNSR-UHFFFAOYSA-N 0 1 390.190 3.001 20 5 GGBDMN O=C(NCCN1CCc2ccccc2C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000132738395 1416809643 /nfs/dbraw/zinc/80/96/43/1416809643.db2.gz KUKOWAQCRGVLBY-UHFFFAOYSA-N 0 1 394.475 3.327 20 5 GGBDMN CCCCNC(=O)C1(NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCCCC1 ZINC000132802500 1416816898 /nfs/dbraw/zinc/81/68/98/1416816898.db2.gz XXKIJSBWNNMOSK-UHFFFAOYSA-N 0 1 390.484 3.051 20 5 GGBDMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000133192047 1416862886 /nfs/dbraw/zinc/86/28/86/1416862886.db2.gz SYKKHHGZKHCMJJ-UHFFFAOYSA-N 0 1 375.375 3.267 20 5 GGBDMN COc1cc(OC)cc(N2CC[C@H](N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)c1 ZINC000178681411 1429138564 /nfs/dbraw/zinc/13/85/64/1429138564.db2.gz IVXOQCPKQMULIK-LIRRHRJNSA-N 0 1 399.447 3.377 20 5 GGBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000178681079 1429138776 /nfs/dbraw/zinc/13/87/76/1429138776.db2.gz POCIORVXODDFAT-ZIAGYGMSSA-N 0 1 385.420 3.352 20 5 GGBDMN CC[C@H](N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000178671128 1429134815 /nfs/dbraw/zinc/13/48/15/1429134815.db2.gz XUYXUCACUYRHPJ-PMACEKPBSA-N 0 1 399.447 3.458 20 5 GGBDMN CC[C@H](N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000178671097 1429134831 /nfs/dbraw/zinc/13/48/31/1429134831.db2.gz XUYXUCACUYRHPJ-VQTJNVASSA-N 0 1 399.447 3.458 20 5 GGBDMN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1cc(C(F)(F)F)ccc1O ZINC000133518489 1416897513 /nfs/dbraw/zinc/89/75/13/1416897513.db2.gz OOJWYUFARDPJDV-UHFFFAOYSA-N 0 1 390.339 3.304 20 5 GGBDMN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000134651629 1417106072 /nfs/dbraw/zinc/10/60/72/1417106072.db2.gz HQZVNJPTXPUBPK-HUUCEWRRSA-N 0 1 379.457 3.351 20 5 GGBDMN COc1cc(S(=O)(=O)Nc2cc(-c3ncco3)ccc2C)ccc1[N+](=O)[O-] ZINC000134690160 1417113005 /nfs/dbraw/zinc/11/30/05/1417113005.db2.gz WXDYUGLEEXBDBR-UHFFFAOYSA-N 0 1 389.389 3.368 20 5 GGBDMN O=C(CCN(Cc1ccccc1[N+](=O)[O-])C1CC1)NC(=O)Nc1ccccc1 ZINC000135233885 1417193123 /nfs/dbraw/zinc/19/31/23/1417193123.db2.gz MXQZPRAGYLYXMX-UHFFFAOYSA-N 0 1 382.420 3.298 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(SC(F)F)nc1 ZINC000135247930 1417195523 /nfs/dbraw/zinc/19/55/23/1417195523.db2.gz ULWXSTYEOACSIJ-UHFFFAOYSA-N 0 1 375.378 3.414 20 5 GGBDMN O=C(Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)c1n[nH]cc1[N+](=O)[O-] ZINC000136635336 1417333856 /nfs/dbraw/zinc/33/38/56/1417333856.db2.gz FLMVUFSHENWMOW-UHFFFAOYSA-N 0 1 384.302 3.392 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1[N+](=O)[O-] ZINC000178813411 1429179276 /nfs/dbraw/zinc/17/92/76/1429179276.db2.gz QRFHWERCLIYOMJ-LLVKDONJSA-N 0 1 389.481 3.235 20 5 GGBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000137374195 1417382502 /nfs/dbraw/zinc/38/25/02/1417382502.db2.gz YRGXLMDVVKYQMF-NSHDSACASA-N 0 1 397.366 3.200 20 5 GGBDMN Cc1c(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000137489428 1417388726 /nfs/dbraw/zinc/38/87/26/1417388726.db2.gz DNGHZHKWZXMBSV-BBRMVZONSA-N 0 1 398.419 3.204 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1CN[C@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC000138499587 1417420591 /nfs/dbraw/zinc/42/05/91/1417420591.db2.gz QGRMVTXOARCANB-LJQANCHMSA-N 0 1 379.457 3.386 20 5 GGBDMN Cn1cnc([N+](=O)[O-])c1N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000139593707 1417465616 /nfs/dbraw/zinc/46/56/16/1417465616.db2.gz JCHUAGXQWJLGFC-UHFFFAOYSA-N 0 1 383.374 3.059 20 5 GGBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCN(CCc4cccs4)CC3)o2)cc1 ZINC000141488482 1417540184 /nfs/dbraw/zinc/54/01/84/1417540184.db2.gz FRPQDHKZFHSNLF-UHFFFAOYSA-N 0 1 399.476 3.067 20 5 GGBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CCN(CCc4cccs4)CC3)n2)cc1 ZINC000141534356 1417543483 /nfs/dbraw/zinc/54/34/83/1417543483.db2.gz RITXAWHQKYYQKA-UHFFFAOYSA-N 0 1 399.476 3.067 20 5 GGBDMN Cc1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1C(=O)N(C)C ZINC000150872039 1417825080 /nfs/dbraw/zinc/82/50/80/1417825080.db2.gz HCCHTSHCZKMDDP-UHFFFAOYSA-N 0 1 397.840 3.059 20 5 GGBDMN COc1ccccc1[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000151226194 1417897594 /nfs/dbraw/zinc/89/75/94/1417897594.db2.gz QQRYEVCHONAJRL-FQEVSTJZSA-N 0 1 397.475 3.489 20 5 GGBDMN Cc1ccc([C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)N2CCCC2)o1 ZINC000151498001 1418003830 /nfs/dbraw/zinc/00/38/30/1418003830.db2.gz QYETVZQYGQWHHX-KRWDZBQOSA-N 0 1 375.400 3.131 20 5 GGBDMN O=[N+]([O-])c1ccc(CS(=O)(=O)N(CCN2CCCC2)c2ccccc2)cc1 ZINC000151672929 1418057549 /nfs/dbraw/zinc/05/75/49/1418057549.db2.gz PWHOSMMJCOKHOQ-UHFFFAOYSA-N 0 1 389.477 3.027 20 5 GGBDMN Cc1ccc([C@@H](CNCc2cc(Cl)ccc2[N+](=O)[O-])N2CCOCC2)o1 ZINC000152039928 1418127812 /nfs/dbraw/zinc/12/78/12/1418127812.db2.gz HXOWOUADLXAOGV-QGZVFWFLSA-N 0 1 379.844 3.313 20 5 GGBDMN COc1ccc([C@H](CNC(=O)c2cc(C)ccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000152265368 1418189561 /nfs/dbraw/zinc/18/95/61/1418189561.db2.gz KZARDNRAXROGJO-FQEVSTJZSA-N 0 1 383.448 3.479 20 5 GGBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cnc2ccc(F)cc2c1 ZINC000179077610 1429255762 /nfs/dbraw/zinc/25/57/62/1429255762.db2.gz TTYZBFYEMUQDLU-UHFFFAOYSA-N 0 1 378.323 3.320 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CCC(Oc3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000179182361 1429288456 /nfs/dbraw/zinc/28/84/56/1429288456.db2.gz JJWMAVCAXZUNPS-UHFFFAOYSA-N 0 1 378.816 3.217 20 5 GGBDMN O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@H](C4OCCO4)C3)cs2)c1 ZINC000179366291 1429346925 /nfs/dbraw/zinc/34/69/25/1429346925.db2.gz FZGAAUZQCFRRSM-AWEZNQCLSA-N 0 1 375.450 3.303 20 5 GGBDMN C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820420364 1429369651 /nfs/dbraw/zinc/36/96/51/1429369651.db2.gz PPDQFEPWFHTSQN-CQSZACIVSA-N 0 1 393.451 3.095 20 5 GGBDMN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(OC(F)F)cc1 ZINC000179603077 1429466201 /nfs/dbraw/zinc/46/62/01/1429466201.db2.gz UEJVOQJLCBJALI-GFCCVEGCSA-N 0 1 391.374 3.436 20 5 GGBDMN COc1cc(C)c([C@@H](C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1OC ZINC000179621307 1429474707 /nfs/dbraw/zinc/47/47/07/1429474707.db2.gz KBLZBULVRHIHLT-CQSZACIVSA-N 0 1 399.447 3.160 20 5 GGBDMN O=C(CN[C@H](CCCO)c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000179732775 1429527647 /nfs/dbraw/zinc/52/76/47/1429527647.db2.gz NSVIYQFGDGVZDZ-MRXNPFEDSA-N 0 1 377.828 3.290 20 5 GGBDMN COc1ccc([C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)N2CCCCC2)cc1 ZINC000152318490 1422071023 /nfs/dbraw/zinc/07/10/23/1422071023.db2.gz GJUAPAIYWQCRCU-NRFANRHFSA-N 0 1 397.475 3.489 20 5 GGBDMN O=C(CN[C@@H](CCCO)c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000179732790 1429528030 /nfs/dbraw/zinc/52/80/30/1429528030.db2.gz NSVIYQFGDGVZDZ-INIZCTEOSA-N 0 1 377.828 3.290 20 5 GGBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Br)nc2)ccc1Cl ZINC000152625748 1422175524 /nfs/dbraw/zinc/17/55/24/1422175524.db2.gz RYIWZICYVUHENG-UHFFFAOYSA-N 0 1 392.618 3.207 20 5 GGBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(Br)nc1 ZINC000152628805 1422176663 /nfs/dbraw/zinc/17/66/63/1422176663.db2.gz OVPLQKYJKFVAFS-UHFFFAOYSA-N 0 1 386.227 3.170 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179747991 1429536056 /nfs/dbraw/zinc/53/60/56/1429536056.db2.gz FJAMCGZHVXVZOY-NRFANRHFSA-N 0 1 397.431 3.354 20 5 GGBDMN O=C(CN[C@H](CCCO)c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000179756566 1429541779 /nfs/dbraw/zinc/54/17/79/1429541779.db2.gz VJCSMNZJKBEKAT-OAHLLOKOSA-N 0 1 377.828 3.290 20 5 GGBDMN O=C(CN[C@@H](c1ccc2c(c1)OCCO2)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000179759936 1429545246 /nfs/dbraw/zinc/54/52/46/1429545246.db2.gz QFCHGSHMOUFCHK-HXUWFJFHSA-N 0 1 383.404 3.045 20 5 GGBDMN C[C@H]1C[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])CC[N@H+]1Cc1ccccc1 ZINC000152923548 1422297389 /nfs/dbraw/zinc/29/73/89/1422297389.db2.gz KLUHWKJMGRRPQE-RDJZCZTQSA-N 0 1 383.448 3.426 20 5 GGBDMN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000179762950 1429546492 /nfs/dbraw/zinc/54/64/92/1429546492.db2.gz OCONQBULHMPAPU-CYBMUJFWSA-N 0 1 382.420 3.233 20 5 GGBDMN CCOc1ccc([C@@H](C)NCc2ccc(CS(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000153070825 1422346546 /nfs/dbraw/zinc/34/65/46/1422346546.db2.gz QZZFELXHHSRJSQ-CQSZACIVSA-N 0 1 392.477 3.389 20 5 GGBDMN O=C(NOCc1ccc(C(F)(F)F)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000153187013 1422385705 /nfs/dbraw/zinc/38/57/05/1422385705.db2.gz QWFUOCJVWWBISZ-UHFFFAOYSA-N 0 1 380.282 3.352 20 5 GGBDMN CCCCNC(=O)[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000153379074 1422505849 /nfs/dbraw/zinc/50/58/49/1422505849.db2.gz XOXCTIGTKDSSJA-MRXNPFEDSA-N 0 1 386.452 3.378 20 5 GGBDMN O=[N+]([O-])c1cc(CN2CCN(CCCOCC(F)(F)F)CC2)ccc1Cl ZINC000153493699 1422569342 /nfs/dbraw/zinc/56/93/42/1422569342.db2.gz AXYRKFLJJUPLLL-UHFFFAOYSA-N 0 1 395.809 3.335 20 5 GGBDMN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000179801014 1429574206 /nfs/dbraw/zinc/57/42/06/1429574206.db2.gz GVMANEKVSKRAHF-UHFFFAOYSA-N 0 1 380.339 3.263 20 5 GGBDMN Cc1csc(Sc2ccc(C(=O)N3C[C@@H](C)N[C@@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000153627778 1422658630 /nfs/dbraw/zinc/65/86/30/1422658630.db2.gz UUNCBGJSGHABGC-PHIMTYICSA-N 0 1 392.506 3.333 20 5 GGBDMN CN(C[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)C(=O)OC(C)(C)C ZINC000153835757 1422789312 /nfs/dbraw/zinc/78/93/12/1422789312.db2.gz YKVUUBKERXIXKS-YJBOKZPZSA-N 0 1 393.484 3.207 20 5 GGBDMN CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)N1CCc2ccccc2C1 ZINC000153996108 1422822842 /nfs/dbraw/zinc/82/28/42/1422822842.db2.gz NFVACOHMDUJNKQ-SFHVURJKSA-N 0 1 383.448 3.170 20 5 GGBDMN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H](C)N[C@@H](C)C2)cc1 ZINC000154217448 1422856952 /nfs/dbraw/zinc/85/69/52/1422856952.db2.gz SPAGXPSBJMQZQL-KBPBESRZSA-N 0 1 385.420 3.218 20 5 GGBDMN CN(C)[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000154246679 1422861520 /nfs/dbraw/zinc/86/15/20/1422861520.db2.gz APVAOEUFGPAEIT-LJQANCHMSA-N 0 1 388.443 3.345 20 5 GGBDMN COc1cc([N+](=O)[O-])c(C(=O)N2CCN(C3CCCCC3)CC2)cc1SC ZINC000154548441 1422920257 /nfs/dbraw/zinc/92/02/57/1422920257.db2.gz OEMZIEYWNLCUKO-UHFFFAOYSA-N 0 1 393.509 3.416 20 5 GGBDMN O=C(CC1(N2CCOCC2)CCCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154618432 1422965005 /nfs/dbraw/zinc/96/50/05/1422965005.db2.gz AGOHZMJIKDLPNQ-UHFFFAOYSA-N 0 1 387.480 3.121 20 5 GGBDMN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000154649733 1422984232 /nfs/dbraw/zinc/98/42/32/1422984232.db2.gz HEESSPBZORLBCZ-GFCCVEGCSA-N 0 1 375.816 3.264 20 5 GGBDMN CN1CCN(Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)c2)CC1 ZINC000154699979 1423004830 /nfs/dbraw/zinc/00/48/30/1423004830.db2.gz MTSXEXHPHKYTEY-UHFFFAOYSA-N 0 1 388.855 3.248 20 5 GGBDMN Cc1nn(CCC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c(C)c1[N+](=O)[O-] ZINC000179853994 1429610545 /nfs/dbraw/zinc/61/05/45/1429610545.db2.gz MQFYDMLEXHGMGF-UHFFFAOYSA-N 0 1 378.339 3.251 20 5 GGBDMN CN(CC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC000179867509 1429616980 /nfs/dbraw/zinc/61/69/80/1429616980.db2.gz ZRGUDCQUSTWKLS-UHFFFAOYSA-N 0 1 375.335 3.484 20 5 GGBDMN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cccc(-c2nnc[nH]2)c1 ZINC000155099564 1423161440 /nfs/dbraw/zinc/16/14/40/1423161440.db2.gz FSOOANWYQHJTNV-UHFFFAOYSA-N 0 1 375.348 3.022 20 5 GGBDMN CC(C)CN1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000155141729 1423192135 /nfs/dbraw/zinc/19/21/35/1423192135.db2.gz GODQCIJBAZZFGK-UHFFFAOYSA-N 0 1 385.262 3.163 20 5 GGBDMN O=[N+]([O-])c1ccnn1CN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000155176440 1423214631 /nfs/dbraw/zinc/21/46/31/1423214631.db2.gz CQXFDTXSTGOWGU-UHFFFAOYSA-N 0 1 375.432 3.136 20 5 GGBDMN COCCn1ccc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)cc21 ZINC000179884611 1429624238 /nfs/dbraw/zinc/62/42/38/1429624238.db2.gz UANTXDCVOWNGRG-UHFFFAOYSA-N 0 1 389.433 3.305 20 5 GGBDMN COCCn1ccc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)cc21 ZINC000179886161 1429625008 /nfs/dbraw/zinc/62/50/08/1429625008.db2.gz RSPNPDBNTIKYBY-UHFFFAOYSA-N 0 1 389.433 3.305 20 5 GGBDMN COc1ccc(C[C@H](C)CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1OC ZINC000155567069 1423421828 /nfs/dbraw/zinc/42/18/28/1423421828.db2.gz UDEOYOYCTYLXAH-LBPRGKRZSA-N 0 1 398.419 3.097 20 5 GGBDMN COc1cc(CN2CCC[C@@H](c3cc[nH]n3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179944312 1429655283 /nfs/dbraw/zinc/65/52/83/1429655283.db2.gz NFQZGWZSLNHBHT-GFCCVEGCSA-N 0 1 396.394 3.350 20 5 GGBDMN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000825318746 1423571315 /nfs/dbraw/zinc/57/13/15/1423571315.db2.gz RJYLGOYTRSOQMJ-UHFFFAOYSA-N 0 1 382.424 3.196 20 5 GGBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1ccccc1)[C@H](CO)C1CC1 ZINC000155922743 1423596183 /nfs/dbraw/zinc/59/61/83/1423596183.db2.gz YPUGLUMDRGFOMW-LJQANCHMSA-N 0 1 383.448 3.115 20 5 GGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000155938393 1423602188 /nfs/dbraw/zinc/60/21/88/1423602188.db2.gz DOHDWUAJBWWKBK-FQEVSTJZSA-N 0 1 383.448 3.115 20 5 GGBDMN O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000156058837 1423655403 /nfs/dbraw/zinc/65/54/03/1423655403.db2.gz RKGWAQDAGFFBHB-SCLBCKFNSA-N 0 1 380.404 3.369 20 5 GGBDMN CN1c2ccc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)c3cccc(c23)C1=O ZINC000156243499 1423740722 /nfs/dbraw/zinc/74/07/22/1423740722.db2.gz OJSPNOTVMSCICA-UHFFFAOYSA-N 0 1 383.385 3.139 20 5 GGBDMN Cc1ccc([C@H](C)[NH2+]CCCOc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826283440 1423868597 /nfs/dbraw/zinc/86/85/97/1423868597.db2.gz QZFRBKNAVYJNFO-AWEZNQCLSA-N 0 1 382.424 3.203 20 5 GGBDMN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1cc(F)ccc1OC(F)F ZINC000157345908 1423990075 /nfs/dbraw/zinc/99/00/75/1423990075.db2.gz BSFQYFMXWBJXMD-UHFFFAOYSA-N 0 1 390.339 3.320 20 5 GGBDMN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(F)c1 ZINC000180010606 1429689908 /nfs/dbraw/zinc/68/99/08/1429689908.db2.gz UCVZZQOHZGVDKY-HNNXBMFYSA-N 0 1 397.353 3.368 20 5 GGBDMN C[C@@H](CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@@H+](C)Cc1ccccc1 ZINC000820242187 1429693595 /nfs/dbraw/zinc/69/35/95/1429693595.db2.gz LSJHAZZFJSHPOH-AWEZNQCLSA-N 0 1 381.440 3.097 20 5 GGBDMN C[C@@H](CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@H+](C)Cc1ccccc1 ZINC000820242187 1429693607 /nfs/dbraw/zinc/69/36/07/1429693607.db2.gz LSJHAZZFJSHPOH-AWEZNQCLSA-N 0 1 381.440 3.097 20 5 GGBDMN C[C@@H](CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@@H+](C)Cc1ccccc1 ZINC000820242187 1429693620 /nfs/dbraw/zinc/69/36/20/1429693620.db2.gz LSJHAZZFJSHPOH-AWEZNQCLSA-N 0 1 381.440 3.097 20 5 GGBDMN Cn1cc(CN2CCN(c3ccc(O)cc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000157883468 1424112085 /nfs/dbraw/zinc/11/20/85/1424112085.db2.gz SXMSNCVRPFBEBJ-UHFFFAOYSA-N 0 1 393.447 3.023 20 5 GGBDMN CCN(CC(C)(C)O)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000158151608 1424180145 /nfs/dbraw/zinc/18/01/45/1424180145.db2.gz BHAMQXUGXVMXOY-LBPRGKRZSA-N 0 1 392.481 3.138 20 5 GGBDMN O=[N+]([O-])c1cccc([C@H](O)CN(CCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000158183959 1424188437 /nfs/dbraw/zinc/18/84/37/1424188437.db2.gz CDCBLLQYVTXGJY-QGZVFWFLSA-N 0 1 385.247 3.430 20 5 GGBDMN CC(C)c1ccc(CNCCN(C)S(=O)(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000158279612 1424215934 /nfs/dbraw/zinc/21/59/34/1424215934.db2.gz YKYHJAVPCUTBFI-UHFFFAOYSA-N 0 1 397.522 3.190 20 5 GGBDMN C[C@H](c1ccsc1)N1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000158324075 1424225885 /nfs/dbraw/zinc/22/58/85/1424225885.db2.gz YDPAISZMXCCUKR-GFCCVEGCSA-N 0 1 385.449 3.052 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCO[C@]2(CCc3ccccc32)C1 ZINC000158551857 1424288131 /nfs/dbraw/zinc/28/81/31/1424288131.db2.gz ALZGOJHKBVSTMV-JOCHJYFZSA-N 0 1 395.459 3.406 20 5 GGBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000158610566 1424301973 /nfs/dbraw/zinc/30/19/73/1424301973.db2.gz YIZOGMAKQRCMEK-UHFFFAOYSA-N 0 1 386.427 3.355 20 5 GGBDMN COc1cccc([C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])N2CCCC2)c1 ZINC000159098604 1424417293 /nfs/dbraw/zinc/41/72/93/1424417293.db2.gz IMBKLRGCAVOGGU-LJQANCHMSA-N 0 1 387.411 3.309 20 5 GGBDMN O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000159127280 1424423367 /nfs/dbraw/zinc/42/33/67/1424423367.db2.gz GLPMGPDPYZECQI-UHFFFAOYSA-N 0 1 388.387 3.101 20 5 GGBDMN COc1ccccc1[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1C)N1CCCC1 ZINC000159549917 1424512819 /nfs/dbraw/zinc/51/28/19/1424512819.db2.gz BNCSDXLXUSHUAL-FQEVSTJZSA-N 0 1 397.475 3.408 20 5 GGBDMN CN(C)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1F ZINC000159551033 1424512873 /nfs/dbraw/zinc/51/28/73/1424512873.db2.gz WZNATZRGTQIAAZ-UHFFFAOYSA-N 0 1 382.395 3.274 20 5 GGBDMN Cc1c(NC(=O)CCN2CCO[C@@]3(CCc4ccccc43)C2)cccc1[N+](=O)[O-] ZINC000159653215 1424521354 /nfs/dbraw/zinc/52/13/54/1424521354.db2.gz UYMUUPSOYKYZCU-QFIPXVFZSA-N 0 1 395.459 3.406 20 5 GGBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(NC(=O)c2ccccc2)c1 ZINC000160056465 1424567627 /nfs/dbraw/zinc/56/76/27/1424567627.db2.gz CJEWQPBCQRMCNM-GFCCVEGCSA-N 0 1 379.376 3.061 20 5 GGBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(NC(=O)c2ccccc2)c1 ZINC000160056336 1424567782 /nfs/dbraw/zinc/56/77/82/1424567782.db2.gz CJEWQPBCQRMCNM-LBPRGKRZSA-N 0 1 379.376 3.061 20 5 GGBDMN C[C@H](Nc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc1[N+](=O)[O-])c1ccccn1 ZINC000160590398 1424617540 /nfs/dbraw/zinc/61/75/40/1424617540.db2.gz GSTPOGHFUMYKJE-BHYGNILZSA-N 0 1 395.463 3.129 20 5 GGBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4cccc([N+](=O)[O-])c4N)C3)[nH]c2c1 ZINC000161341134 1424679437 /nfs/dbraw/zinc/67/94/37/1424679437.db2.gz TWYUUNMPLNGURQ-ZDUSSCGKSA-N 0 1 379.420 3.382 20 5 GGBDMN CNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000161446982 1424690739 /nfs/dbraw/zinc/69/07/39/1424690739.db2.gz VSWGCGOCKVKHDQ-UONOGXRCSA-N 0 1 377.466 3.223 20 5 GGBDMN CC[C@H](N[C@@H](C)c1cccc(S(=O)(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000161468124 1424693426 /nfs/dbraw/zinc/69/34/26/1424693426.db2.gz HBZUKUSUEIVZOF-UGSOOPFHSA-N 0 1 377.466 3.305 20 5 GGBDMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000161564471 1424712375 /nfs/dbraw/zinc/71/23/75/1424712375.db2.gz GKGXWWDGBFJBJW-MRXNPFEDSA-N 0 1 399.447 3.133 20 5 GGBDMN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000161669801 1424736892 /nfs/dbraw/zinc/73/68/92/1424736892.db2.gz YDOWYPIGJLUYJJ-HNNXBMFYSA-N 0 1 389.477 3.489 20 5 GGBDMN Cc1c([C@@H](C)NCc2ccccc2OCCN2CCOCC2)cccc1[N+](=O)[O-] ZINC000162028903 1424809997 /nfs/dbraw/zinc/80/99/97/1424809997.db2.gz JRMIBAHJVBJKCX-GOSISDBHSA-N 0 1 399.491 3.465 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccccc1OCCN1CCOCC1 ZINC000162028618 1424810009 /nfs/dbraw/zinc/81/00/09/1424810009.db2.gz LMBCUMYYBNSIGD-GOSISDBHSA-N 0 1 399.491 3.465 20 5 GGBDMN C[C@H](NCc1ccccc1OCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000162039256 1424811076 /nfs/dbraw/zinc/81/10/76/1424811076.db2.gz IUMKLBSQKKZBDH-KRWDZBQOSA-N 0 1 385.464 3.157 20 5 GGBDMN CCOC(=O)CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000162171892 1424822514 /nfs/dbraw/zinc/82/25/14/1424822514.db2.gz DQTNBWZNEVQMBM-HOTGVXAUSA-N 0 1 391.468 3.286 20 5 GGBDMN CCC[C@H](NCCNS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000162480699 1424857286 /nfs/dbraw/zinc/85/72/86/1424857286.db2.gz KIMWMMHICXPQSO-SFHVURJKSA-N 0 1 377.466 3.004 20 5 GGBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1noc(-c2ccccc2)n1 ZINC000162925532 1424907549 /nfs/dbraw/zinc/90/75/49/1424907549.db2.gz XETGFFXQPYYABE-SNVBAGLBSA-N 0 1 378.348 3.012 20 5 GGBDMN CCC[C@@H]1CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CCN1CCOC ZINC000163302791 1424976309 /nfs/dbraw/zinc/97/63/09/1424976309.db2.gz CRCSOLVXFBBLPK-MRXNPFEDSA-N 0 1 378.473 3.176 20 5 GGBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000180162116 1429774798 /nfs/dbraw/zinc/77/47/98/1429774798.db2.gz OKRNTOOWBNDOEF-UHFFFAOYSA-N 0 1 379.394 3.483 20 5 GGBDMN O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000165050701 1425160252 /nfs/dbraw/zinc/16/02/52/1425160252.db2.gz BXNUFNPGEQVOEP-MJGOQNOKSA-N 0 1 395.459 3.427 20 5 GGBDMN CCc1noc2ncc(S(=O)(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)cc12 ZINC000165132796 1425165532 /nfs/dbraw/zinc/16/55/32/1425165532.db2.gz NEJMZDYSBJEIEO-UHFFFAOYSA-N 0 1 376.394 3.111 20 5 GGBDMN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000165145348 1425166544 /nfs/dbraw/zinc/16/65/44/1425166544.db2.gz OSVHVJQVTKCDBW-UHFFFAOYSA-N 0 1 395.824 3.160 20 5 GGBDMN CN1CC[NH+](Cc2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 ZINC000170504391 1425263514 /nfs/dbraw/zinc/26/35/14/1425263514.db2.gz HVWUOCGUKVCCSN-UHFFFAOYSA-N 0 1 388.855 3.248 20 5 GGBDMN CN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 ZINC000170504391 1425263517 /nfs/dbraw/zinc/26/35/17/1425263517.db2.gz HVWUOCGUKVCCSN-UHFFFAOYSA-N 0 1 388.855 3.248 20 5 GGBDMN C[C@H](CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000170791403 1425343639 /nfs/dbraw/zinc/34/36/39/1425343639.db2.gz VRPTZSWXMAHQIC-GFCCVEGCSA-N 0 1 375.375 3.050 20 5 GGBDMN C[C@@H](CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000170791402 1425344137 /nfs/dbraw/zinc/34/41/37/1425344137.db2.gz VRPTZSWXMAHQIC-LBPRGKRZSA-N 0 1 375.375 3.050 20 5 GGBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000170912982 1425388351 /nfs/dbraw/zinc/38/83/51/1425388351.db2.gz XXHWIECOZVBMRI-MRXNPFEDSA-N 0 1 375.469 3.120 20 5 GGBDMN Cc1ccc([C@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])N2CCCC2)o1 ZINC000171227240 1425550650 /nfs/dbraw/zinc/55/06/50/1425550650.db2.gz XBOAQICRALBAEE-SFHVURJKSA-N 0 1 386.452 3.475 20 5 GGBDMN Cc1ccc([C@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)N2CCCC2)o1 ZINC000171239656 1425560552 /nfs/dbraw/zinc/56/05/52/1425560552.db2.gz KQSPRRSOVHPWTP-SFHVURJKSA-N 0 1 386.452 3.175 20 5 GGBDMN CCc1[nH]nc(C(=O)N(C)CCCc2cc(-c3ccccc3)no2)c1[N+](=O)[O-] ZINC000171277193 1425589317 /nfs/dbraw/zinc/58/93/17/1425589317.db2.gz IDUQTUZUVLRWHJ-UHFFFAOYSA-N 0 1 383.408 3.240 20 5 GGBDMN CCCN1Cc2cccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)c2C1 ZINC000171346391 1425629783 /nfs/dbraw/zinc/62/97/83/1425629783.db2.gz RGIXDSZEYCMBDQ-UHFFFAOYSA-N 0 1 375.450 3.430 20 5 GGBDMN Cc1nn(CCC(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000171444332 1425681315 /nfs/dbraw/zinc/68/13/15/1425681315.db2.gz GLXMBFCLLQKKHP-KRWDZBQOSA-N 0 1 396.451 3.347 20 5 GGBDMN COc1ccnc(N2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)c1 ZINC000171563817 1425738038 /nfs/dbraw/zinc/73/80/38/1425738038.db2.gz YMIQYAYIGCOZNO-UHFFFAOYSA-N 0 1 398.444 3.176 20 5 GGBDMN O=C(N[C@H](c1nccs1)c1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000171591499 1425752032 /nfs/dbraw/zinc/75/20/32/1425752032.db2.gz ZPBWOHWEMUAYOH-HNNXBMFYSA-N 0 1 379.401 3.447 20 5 GGBDMN CN(C)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)c1 ZINC000171773501 1425816818 /nfs/dbraw/zinc/81/68/18/1425816818.db2.gz IVYXKKWPPUZMDM-UHFFFAOYSA-N 0 1 389.355 3.480 20 5 GGBDMN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(N2CCCC2)c(C)c1 ZINC000171773150 1425816879 /nfs/dbraw/zinc/81/68/79/1425816879.db2.gz MPBXYMKQRMSHSY-UHFFFAOYSA-N 0 1 391.449 3.313 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](c3nc4cc(C)ccc4[nH]3)C2)c1[N+](=O)[O-] ZINC000171806709 1425825300 /nfs/dbraw/zinc/82/53/00/1425825300.db2.gz LDFMLHRMPFGQSP-GFCCVEGCSA-N 0 1 382.424 3.085 20 5 GGBDMN CCc1n[nH]c(C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)c1[N+](=O)[O-] ZINC000171806709 1425825301 /nfs/dbraw/zinc/82/53/01/1425825301.db2.gz LDFMLHRMPFGQSP-GFCCVEGCSA-N 0 1 382.424 3.085 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)c1[N+](=O)[O-] ZINC000171806709 1425825302 /nfs/dbraw/zinc/82/53/02/1425825302.db2.gz LDFMLHRMPFGQSP-GFCCVEGCSA-N 0 1 382.424 3.085 20 5 GGBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(OCc3cscn3)c2)c1 ZINC000171807523 1425825758 /nfs/dbraw/zinc/82/57/58/1425825758.db2.gz BYEAAGWRKYZUSJ-UHFFFAOYSA-N 0 1 391.430 3.431 20 5 GGBDMN CC(C)[C@H](CNC(=O)c1cc2ccccc2c2cccnc12)N1CCN(C)CC1 ZINC000171978783 1425866534 /nfs/dbraw/zinc/86/65/34/1425866534.db2.gz WLAQKRNLSSSPJE-QFIPXVFZSA-N 0 1 390.531 3.390 20 5 GGBDMN O=[N+]([O-])c1ccc(N2CCN(CCc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000172070129 1425888639 /nfs/dbraw/zinc/88/86/39/1425888639.db2.gz FOEAQFYIHSOMKI-UHFFFAOYSA-N 0 1 379.420 3.010 20 5 GGBDMN CC1CCC(N2CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)CC2)CC1 ZINC000172156925 1425924557 /nfs/dbraw/zinc/92/45/57/1425924557.db2.gz POVIWIVCSYKEIN-UHFFFAOYSA-N 0 1 397.479 3.117 20 5 GGBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CCN(CCCOCC(F)(F)F)CC2)c1 ZINC000172176640 1425935161 /nfs/dbraw/zinc/93/51/61/1425935161.db2.gz DRLGEFCGOOPPBX-UHFFFAOYSA-N 0 1 395.809 3.335 20 5 GGBDMN Cc1cc(S(=O)(=O)Nc2cccc(N3CCCCC3=O)c2)ccc1[N+](=O)[O-] ZINC000172182566 1425936801 /nfs/dbraw/zinc/93/68/01/1425936801.db2.gz RKXSJECQZQKUIN-UHFFFAOYSA-N 0 1 389.433 3.221 20 5 GGBDMN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1C(=O)NC(C)C ZINC000172184056 1425937360 /nfs/dbraw/zinc/93/73/60/1425937360.db2.gz FUWYEPUYGQRSAG-UHFFFAOYSA-N 0 1 391.449 3.151 20 5 GGBDMN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NCC(C)C)cc2)ccc1[N+](=O)[O-] ZINC000172183003 1425937379 /nfs/dbraw/zinc/93/73/79/1425937379.db2.gz HDLOWEPMKJBCSB-UHFFFAOYSA-N 0 1 391.449 3.090 20 5 GGBDMN CCCc1[nH]nc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1[N+](=O)[O-] ZINC000172342981 1426008457 /nfs/dbraw/zinc/00/84/57/1426008457.db2.gz KFFQHBCZKMOYMZ-AWEZNQCLSA-N 0 1 384.396 3.251 20 5 GGBDMN Cc1cc(S(=O)(=O)N(CCN2CCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000172667830 1426135637 /nfs/dbraw/zinc/13/56/37/1426135637.db2.gz URQGMFRFTZXWSX-UHFFFAOYSA-N 0 1 389.477 3.194 20 5 GGBDMN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1ccccc1C[NH+]1CCCCC1 ZINC000823630504 1426207454 /nfs/dbraw/zinc/20/74/54/1426207454.db2.gz ZAQZDYNBDPVCLG-UHFFFAOYSA-N 0 1 393.451 3.373 20 5 GGBDMN C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]1c1cccs1 ZINC000821623547 1426269669 /nfs/dbraw/zinc/26/96/69/1426269669.db2.gz NCZVLAJGKNPUCU-PXAZEXFGSA-N 0 1 399.480 3.331 20 5 GGBDMN C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H]1c1cccs1 ZINC000821623547 1426269673 /nfs/dbraw/zinc/26/96/73/1426269673.db2.gz NCZVLAJGKNPUCU-PXAZEXFGSA-N 0 1 399.480 3.331 20 5 GGBDMN C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H]1c1cccs1 ZINC000821623547 1426269677 /nfs/dbraw/zinc/26/96/77/1426269677.db2.gz NCZVLAJGKNPUCU-PXAZEXFGSA-N 0 1 399.480 3.331 20 5 GGBDMN O=[N+]([O-])c1ccc(-c2ncn(CN3CC[C@H](COCc4ccccc4)C3)n2)cc1 ZINC000172971314 1426288667 /nfs/dbraw/zinc/28/86/67/1426288667.db2.gz VECPUFZQSJLSLD-SFHVURJKSA-N 0 1 393.447 3.350 20 5 GGBDMN C[C@H]1CN(Cc2ccc(CNC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000173075171 1426332420 /nfs/dbraw/zinc/33/24/20/1426332420.db2.gz DFYLZJWVIHWIKS-IRXDYDNUSA-N 0 1 397.475 3.063 20 5 GGBDMN C[C@@H]1CN(Cc2ccc(CNC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 ZINC000173075178 1426332576 /nfs/dbraw/zinc/33/25/76/1426332576.db2.gz DFYLZJWVIHWIKS-IAGOWNOFSA-N 0 1 397.475 3.063 20 5 GGBDMN COc1ccccc1[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000173156031 1426369315 /nfs/dbraw/zinc/36/93/15/1426369315.db2.gz ZHJKHTFXULFKPS-FQEVSTJZSA-N 0 1 397.475 3.489 20 5 GGBDMN C[C@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173328566 1426510366 /nfs/dbraw/zinc/51/03/66/1426510366.db2.gz KORSSKGVJYJDHE-HNNXBMFYSA-N 0 1 389.477 3.230 20 5 GGBDMN C[C@@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000173333001 1426514077 /nfs/dbraw/zinc/51/40/77/1426514077.db2.gz ZVMDZTYZDMRXES-KGLIPLIRSA-N 0 1 377.466 3.257 20 5 GGBDMN C[C@@H](NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173351753 1426529112 /nfs/dbraw/zinc/52/91/12/1426529112.db2.gz GMISJZIHWLNOIS-FOIQADDNSA-N 0 1 383.448 3.354 20 5 GGBDMN CCc1ccc([C@@H](COC)NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])o1 ZINC000173353261 1426530098 /nfs/dbraw/zinc/53/00/98/1426530098.db2.gz ZKDIGRPWPILYQR-CQSZACIVSA-N 0 1 382.438 3.033 20 5 GGBDMN Cc1ccc2c(CN3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc(=O)oc2c1C ZINC000173462331 1426635945 /nfs/dbraw/zinc/63/59/45/1426635945.db2.gz GJZYLFSEXAPEPK-MRXNPFEDSA-N 0 1 394.431 3.399 20 5 GGBDMN Cc1cnc([C@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C2CC2)s1 ZINC000173490534 1426662848 /nfs/dbraw/zinc/66/28/48/1426662848.db2.gz CBAFMAIMKYIGMI-CYBMUJFWSA-N 0 1 387.870 3.443 20 5 GGBDMN CC[C@@](C)(NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1nccs1 ZINC000173507046 1426676144 /nfs/dbraw/zinc/67/61/44/1426676144.db2.gz XZXLYBMPGDJSKS-QGZVFWFLSA-N 0 1 378.454 3.304 20 5 GGBDMN CCCc1n[nH]c(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000173507704 1426676759 /nfs/dbraw/zinc/67/67/59/1426676759.db2.gz WNWMUMIBHIGYNQ-HNNXBMFYSA-N 0 1 385.468 3.007 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000173512797 1426683131 /nfs/dbraw/zinc/68/31/31/1426683131.db2.gz HPCQAVAOEHVYMU-MRXNPFEDSA-N 0 1 383.448 3.340 20 5 GGBDMN COc1ccc(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000173519459 1426693618 /nfs/dbraw/zinc/69/36/18/1426693618.db2.gz PQWSQMOSFNXAHC-INIZCTEOSA-N 0 1 383.448 3.340 20 5 GGBDMN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000173520692 1426693671 /nfs/dbraw/zinc/69/36/71/1426693671.db2.gz TZFMKNUOAASGHM-OAHLLOKOSA-N 0 1 398.419 3.240 20 5 GGBDMN COc1ccc(OCCN(Cc2ccco2)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000173565965 1426734986 /nfs/dbraw/zinc/73/49/86/1426734986.db2.gz HKXNIBSPQKCATC-KRWDZBQOSA-N 0 1 376.409 3.256 20 5 GGBDMN O=C(CN1CC[C@@H](COCc2ccccc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000173652223 1426810774 /nfs/dbraw/zinc/81/07/74/1426810774.db2.gz VAOONWKOZYKBFF-GOSISDBHSA-N 0 1 395.459 3.023 20 5 GGBDMN O=C1[C@H](N2CC[C@@H](COCc3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000173655103 1426811539 /nfs/dbraw/zinc/81/15/39/1426811539.db2.gz NWKXGVFKDMBYHM-WIYYLYMNSA-N 0 1 395.459 3.239 20 5 GGBDMN O=C(CN1CC[C@H](COCc2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000173657089 1426812215 /nfs/dbraw/zinc/81/22/15/1426812215.db2.gz BRDAHBDBYRRFTL-SFHVURJKSA-N 0 1 395.459 3.023 20 5 GGBDMN Cc1ccc(CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]2CCCO2)cc1 ZINC000173780592 1426849390 /nfs/dbraw/zinc/84/93/90/1426849390.db2.gz GMMSBUOBVKVYEP-HXUWFJFHSA-N 0 1 397.475 3.226 20 5 GGBDMN O=c1cc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c2ccc(O)cc2o1 ZINC000173798239 1426853899 /nfs/dbraw/zinc/85/38/99/1426853899.db2.gz LRKMHMPYPKLLAP-UHFFFAOYSA-N 0 1 396.399 3.450 20 5 GGBDMN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000174049282 1426970729 /nfs/dbraw/zinc/97/07/29/1426970729.db2.gz FQUKJPMXEOXXFZ-LJQANCHMSA-N 0 1 396.491 3.397 20 5 GGBDMN COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000174051501 1426973167 /nfs/dbraw/zinc/97/31/67/1426973167.db2.gz RNUUCLWTFOPKHQ-KRWDZBQOSA-N 0 1 383.448 3.340 20 5 GGBDMN COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000174051501 1426973169 /nfs/dbraw/zinc/97/31/69/1426973169.db2.gz RNUUCLWTFOPKHQ-KRWDZBQOSA-N 0 1 383.448 3.340 20 5 GGBDMN O=C1O[C@@H](CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CN1c1ccccc1 ZINC000174240704 1427064929 /nfs/dbraw/zinc/06/49/29/1427064929.db2.gz ZSANBDGYFPAFCH-FQEVSTJZSA-N 0 1 397.431 3.463 20 5 GGBDMN CC(C)N(C(=O)[C@@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(C)C ZINC000174249298 1427069848 /nfs/dbraw/zinc/06/98/48/1427069848.db2.gz IOLQMYQQAIBMQQ-MRXNPFEDSA-N 0 1 377.485 3.472 20 5 GGBDMN C[C@@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000174366021 1427122527 /nfs/dbraw/zinc/12/25/27/1427122527.db2.gz PJGOBNSODNMZJH-LSDHHAIUSA-N 0 1 379.420 3.458 20 5 GGBDMN C[C@@H](N[C@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000174366030 1427122586 /nfs/dbraw/zinc/12/25/86/1427122586.db2.gz PJGOBNSODNMZJH-HUUCEWRRSA-N 0 1 379.420 3.458 20 5 GGBDMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000174504902 1427189603 /nfs/dbraw/zinc/18/96/03/1427189603.db2.gz FFBVWFJSDUVGQF-UHFFFAOYSA-N 0 1 397.410 3.183 20 5 GGBDMN O=C1[C@H](NCc2cccc([N+](=O)[O-])c2)CCCN1c1ccc(OC(F)F)cc1 ZINC000174569284 1427229164 /nfs/dbraw/zinc/22/91/64/1427229164.db2.gz MHYHDEACWBYJQO-QGZVFWFLSA-N 0 1 391.374 3.481 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000174601894 1427252656 /nfs/dbraw/zinc/25/26/56/1427252656.db2.gz LUEVXJWXRPDPKD-OAHLLOKOSA-N 0 1 384.436 3.158 20 5 GGBDMN CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCN(c2ccccc2)C1 ZINC000174677870 1427304112 /nfs/dbraw/zinc/30/41/12/1427304112.db2.gz MOOZAZRIQVOVGM-HXUWFJFHSA-N 0 1 394.475 3.085 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@H]1CCCN(c2ccccc2)C1 ZINC000174680001 1427306214 /nfs/dbraw/zinc/30/62/14/1427306214.db2.gz XYXBNMHRAMSMIN-IBGZPJMESA-N 0 1 382.464 3.443 20 5 GGBDMN CCc1nnc(-c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)o1 ZINC000174766965 1427355809 /nfs/dbraw/zinc/35/58/09/1427355809.db2.gz NIKDTJJUXVHADB-UHFFFAOYSA-N 0 1 388.405 3.316 20 5 GGBDMN O=[N+]([O-])c1ccc(OC2CCN(C[C@H](O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000174802622 1427377599 /nfs/dbraw/zinc/37/75/99/1427377599.db2.gz PMOPNWCOONJGSX-IBGZPJMESA-N 0 1 378.375 3.450 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1CN(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174826193 1427389228 /nfs/dbraw/zinc/38/92/28/1427389228.db2.gz SFXHLSUALIOTGX-UHFFFAOYSA-N 0 1 379.457 3.435 20 5 GGBDMN Cc1nc(-c2cccc(NS(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)c2)n[nH]1 ZINC000175006443 1427492897 /nfs/dbraw/zinc/49/28/97/1427492897.db2.gz IRXFSKZHANOLQU-UHFFFAOYSA-N 0 1 387.421 3.106 20 5 GGBDMN Cc1csc(C2(NC[C@H](O)COc3cccc([N+](=O)[O-])c3)CCCC2)n1 ZINC000175022753 1427505140 /nfs/dbraw/zinc/50/51/40/1427505140.db2.gz GFKMTPKWVQMWAP-HNNXBMFYSA-N 0 1 377.466 3.159 20 5 GGBDMN CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435244 1427514658 /nfs/dbraw/zinc/51/46/58/1427514658.db2.gz RCCLPOMDWCUNKE-ZDUSSCGKSA-N 0 1 382.424 3.367 20 5 GGBDMN C[C@H]([NH2+]CCSCc1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000824604727 1427586696 /nfs/dbraw/zinc/58/66/96/1427586696.db2.gz DJWHEVSTSCGCQX-ZDUSSCGKSA-N 0 1 384.465 3.359 20 5 GGBDMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000175300302 1427658798 /nfs/dbraw/zinc/65/87/98/1427658798.db2.gz SLIXNGFKTVTAFF-UHFFFAOYSA-N 0 1 398.463 3.306 20 5 GGBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(-n2cccn2)cc1 ZINC000175434358 1427752847 /nfs/dbraw/zinc/75/28/47/1427752847.db2.gz TUHKAHZMXMOBIV-LBPRGKRZSA-N 0 1 376.376 3.148 20 5 GGBDMN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cnn(-c2ccccc2)c1 ZINC000175509374 1427796869 /nfs/dbraw/zinc/79/68/69/1427796869.db2.gz KXFKTGNQERSNIS-UHFFFAOYSA-N 0 1 379.420 3.241 20 5 GGBDMN COCc1nc2cc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2o1 ZINC000175921677 1427973718 /nfs/dbraw/zinc/97/37/18/1427973718.db2.gz CTYRQRAYETVFRD-UHFFFAOYSA-N 0 1 397.796 3.337 20 5 GGBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000175993958 1428018284 /nfs/dbraw/zinc/01/82/84/1428018284.db2.gz SMCCMKOAPJKCTR-QWHCGFSZSA-N 0 1 385.330 3.400 20 5 GGBDMN O=C(c1cn[nH]c1-c1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000176127024 1428100124 /nfs/dbraw/zinc/10/01/24/1428100124.db2.gz FLFNHOZWUKTIFB-UHFFFAOYSA-N 0 1 395.394 3.086 20 5 GGBDMN Cc1c(C(=O)NCc2nc3ccc(F)cc3[nH]2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000176131346 1428105661 /nfs/dbraw/zinc/10/56/61/1428105661.db2.gz AYINRCFTPOJKMQ-UHFFFAOYSA-N 0 1 387.327 3.065 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1 ZINC000176207564 1428167742 /nfs/dbraw/zinc/16/77/42/1428167742.db2.gz AWNQDMBGENENHT-UHFFFAOYSA-N 0 1 386.389 3.323 20 5 GGBDMN COc1cc(CN2CC[C@@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180173009 1429779549 /nfs/dbraw/zinc/77/95/49/1429779549.db2.gz WJYXXLFYJXWSSG-DOMZBBRYSA-N 0 1 386.395 3.248 20 5 GGBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CCOCC2)CC1 ZINC000180234069 1429810262 /nfs/dbraw/zinc/81/02/62/1429810262.db2.gz SCTLGTAEFGIXMG-UHFFFAOYSA-N 0 1 393.509 3.032 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CCC(n3c(CC)nc4ccccc43)CC2)c1[N+](=O)[O-] ZINC000180361174 1429846248 /nfs/dbraw/zinc/84/62/48/1429846248.db2.gz YZHFBPSLELMGKI-UHFFFAOYSA-N 0 1 396.451 3.270 20 5 GGBDMN CC(C)Oc1ccc(CCNC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180396142 1429856161 /nfs/dbraw/zinc/85/61/61/1429856161.db2.gz OMAWGXVHQQQPST-INIZCTEOSA-N 0 1 385.464 3.392 20 5 GGBDMN C[C@H](NCC(=O)NCCOc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000180406375 1429859800 /nfs/dbraw/zinc/85/98/00/1429859800.db2.gz VYNNAGRUVBFOKJ-ZDUSSCGKSA-N 0 1 377.828 3.094 20 5 GGBDMN C[C@@H](NCC(=O)NCCc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000180423938 1429865350 /nfs/dbraw/zinc/86/53/50/1429865350.db2.gz LPIMOFIITNSXQN-CYBMUJFWSA-N 0 1 384.461 3.214 20 5 GGBDMN C[C@@H](NCC(=O)Nc1ccc(N2CCCCC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000180424530 1429865355 /nfs/dbraw/zinc/86/53/55/1429865355.db2.gz WGBIOBYLCQTRLG-OAHLLOKOSA-N 0 1 383.452 3.269 20 5 GGBDMN COc1ccc(OC)c([C@@H](C)NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180427544 1429866965 /nfs/dbraw/zinc/86/69/65/1429866965.db2.gz GXTMGVPHLXGFJC-UONOGXRCSA-N 0 1 387.436 3.140 20 5 GGBDMN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000180432116 1429868268 /nfs/dbraw/zinc/86/82/68/1429868268.db2.gz SVSHLAKESNPJMN-VXGBXAGGSA-N 0 1 388.380 3.189 20 5 GGBDMN C[C@@H](NCC(=O)Nc1ccccc1N1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000180442009 1429870306 /nfs/dbraw/zinc/87/03/06/1429870306.db2.gz RVNNCASKKYLBGH-CQSZACIVSA-N 0 1 382.420 3.011 20 5 GGBDMN COc1ccc(CN(C(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000180442525 1429870717 /nfs/dbraw/zinc/87/07/17/1429870717.db2.gz ICBORFMHPWJXPS-OAHLLOKOSA-N 0 1 383.448 3.445 20 5 GGBDMN C[C@H](NCC(=O)N(Cc1ccco1)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000180451164 1429872523 /nfs/dbraw/zinc/87/25/23/1429872523.db2.gz KHSUKJHJPNVIRP-LBPRGKRZSA-N 0 1 385.342 3.430 20 5 GGBDMN C[C@@H](NCC(=O)N(Cc1ccco1)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000180451311 1429872633 /nfs/dbraw/zinc/87/26/33/1429872633.db2.gz KHSUKJHJPNVIRP-GFCCVEGCSA-N 0 1 385.342 3.430 20 5 GGBDMN COc1cc(CN(C)C[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000180531320 1429891823 /nfs/dbraw/zinc/89/18/23/1429891823.db2.gz REXRAIRGCUFBEF-RISCZKNCSA-N 0 1 392.374 3.137 20 5 GGBDMN CC[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc2c(c1)OCCO2 ZINC000180641131 1429949398 /nfs/dbraw/zinc/94/93/98/1429949398.db2.gz DQJCRCOSACVLLZ-ROUUACIJSA-N 0 1 397.431 3.212 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1CN(C(C)C)C2 ZINC000180713424 1429994950 /nfs/dbraw/zinc/99/49/50/1429994950.db2.gz QIBPLQQYKUCJLB-UHFFFAOYSA-N 0 1 375.450 3.428 20 5 GGBDMN Cc1cc(S(=O)(=O)Nc2cccc3c2CN(C(C)C)C3)ccc1[N+](=O)[O-] ZINC000180715127 1429995691 /nfs/dbraw/zinc/99/56/91/1429995691.db2.gz FPUUDKQLMFEQKY-UHFFFAOYSA-N 0 1 375.450 3.428 20 5 GGBDMN O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000180756851 1430020879 /nfs/dbraw/zinc/02/08/79/1430020879.db2.gz OKIJJPPMAPOGJH-ZDUSSCGKSA-N 0 1 396.293 3.455 20 5 GGBDMN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cc(CC2CCCCC2)[nH]n1 ZINC000180819382 1430056504 /nfs/dbraw/zinc/05/65/04/1430056504.db2.gz VLUKLTCEIXPIFC-UHFFFAOYSA-N 0 1 378.454 3.383 20 5 GGBDMN C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(-n2cccn2)cc1 ZINC000180834813 1430062958 /nfs/dbraw/zinc/06/29/58/1430062958.db2.gz YSUMMUFHYOGHNB-HNNXBMFYSA-N 0 1 391.431 3.020 20 5 GGBDMN COc1ccc(NC(=O)CNC(C)(C)c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000180880438 1430085395 /nfs/dbraw/zinc/08/53/95/1430085395.db2.gz HZXJMFDSHWWPCE-UHFFFAOYSA-N 0 1 379.363 3.345 20 5 GGBDMN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000180947469 1430129331 /nfs/dbraw/zinc/12/93/31/1430129331.db2.gz PATFKIOLBSISGV-GFCCVEGCSA-N 0 1 385.811 3.133 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000180951299 1430131273 /nfs/dbraw/zinc/13/12/73/1430131273.db2.gz UOSQOIFLUMEUEK-QGZVFWFLSA-N 0 1 387.461 3.077 20 5 GGBDMN CCOc1cc(N2CCN(CCCOCC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000180996781 1430158729 /nfs/dbraw/zinc/15/87/29/1430158729.db2.gz TYRBEGBOIUZDEX-UHFFFAOYSA-N 0 1 391.390 3.085 20 5 GGBDMN COC[C@@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(F)c(F)c1 ZINC000181437750 1430298833 /nfs/dbraw/zinc/29/88/33/1430298833.db2.gz UHYVGPZGGYZPFW-QGZVFWFLSA-N 0 1 393.390 3.487 20 5 GGBDMN C[C@@H](N[C@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000181441225 1430299774 /nfs/dbraw/zinc/29/97/74/1430299774.db2.gz MJPSPDKSXHWXGD-HUUCEWRRSA-N 0 1 396.447 3.399 20 5 GGBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 ZINC000181441190 1430299844 /nfs/dbraw/zinc/29/98/44/1430299844.db2.gz MJPSPDKSXHWXGD-CABCVRRESA-N 0 1 396.447 3.399 20 5 GGBDMN COC[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc(F)c(F)c1 ZINC000181443234 1430300530 /nfs/dbraw/zinc/30/05/30/1430300530.db2.gz OCDRQLKCCUPPHT-GOSISDBHSA-N 0 1 393.390 3.487 20 5 GGBDMN C[C@H](NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1cccc([N+](=O)[O-])c1 ZINC000181493945 1430310001 /nfs/dbraw/zinc/31/00/01/1430310001.db2.gz CICKSUMGDISIIC-SWLSCSKDSA-N 0 1 384.440 3.241 20 5 GGBDMN CCOc1ccc([C@@H](C)N[C@@H]2CCCN(CC(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000181525963 1430315327 /nfs/dbraw/zinc/31/53/27/1430315327.db2.gz DYWKLLUDAOUSGB-DGCLKSJQSA-N 0 1 389.374 3.197 20 5 GGBDMN CCOc1ccc([C@@H](C)N[C@H]2CCCN(CC(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000181526009 1430315404 /nfs/dbraw/zinc/31/54/04/1430315404.db2.gz DYWKLLUDAOUSGB-YPMHNXCESA-N 0 1 389.374 3.197 20 5 GGBDMN CC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1cccc(S(N)(=O)=O)c1 ZINC000181746925 1430352117 /nfs/dbraw/zinc/35/21/17/1430352117.db2.gz AGQXILVNOFPVSV-UGSOOPFHSA-N 0 1 377.466 3.353 20 5 GGBDMN Cc1ccc([C@@H](C)NCC(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000181808506 1430364960 /nfs/dbraw/zinc/36/49/60/1430364960.db2.gz BIQGQYPTMZJWED-QZTJIDSGSA-N 0 1 396.491 3.197 20 5 GGBDMN CCOC(=O)c1ccsc1NC(=O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181812010 1430365533 /nfs/dbraw/zinc/36/55/33/1430365533.db2.gz DSGCHQMHKBBBBT-GFCCVEGCSA-N 0 1 391.449 3.431 20 5 GGBDMN COC(=O)c1sccc1NC(=O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181826416 1430368219 /nfs/dbraw/zinc/36/82/19/1430368219.db2.gz XUSXWZBJVJEBJA-LLVKDONJSA-N 0 1 377.422 3.041 20 5 GGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000181867759 1430374432 /nfs/dbraw/zinc/37/44/32/1430374432.db2.gz HRMYKZHGWBEYGE-HNNXBMFYSA-N 0 1 398.463 3.493 20 5 GGBDMN COc1ccc(NC(=O)CN[C@@H](C)c2cccc(N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000181891940 1430378903 /nfs/dbraw/zinc/37/89/03/1430378903.db2.gz KKUPVJDFCQPUMN-HNNXBMFYSA-N 0 1 398.463 3.493 20 5 GGBDMN CCc1nc(C)c([C@H](C)N(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000181908378 1430381459 /nfs/dbraw/zinc/38/14/59/1430381459.db2.gz CFZIDWHFRWPEKV-KBPBESRZSA-N 0 1 379.482 3.355 20 5 GGBDMN C[C@@H](N[C@H](CC(N)=O)C1CCCCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000182036105 1430399603 /nfs/dbraw/zinc/39/96/03/1430399603.db2.gz DXUUJCRBJGPBLB-MLGOLLRUSA-N 0 1 387.440 3.120 20 5 GGBDMN C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC[N@H+]1Cc1ccccc1 ZINC000182036889 1430399890 /nfs/dbraw/zinc/39/98/90/1430399890.db2.gz XWMLSRFHWPMBIE-NVXWUHKLSA-N 0 1 383.448 3.426 20 5 GGBDMN C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000182120219 1430415435 /nfs/dbraw/zinc/41/54/35/1430415435.db2.gz PQENJWIZBXJEJY-OAHLLOKOSA-N 0 1 375.469 3.417 20 5 GGBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CSc1nc(-c2ccccc2F)n[nH]1 ZINC000182181025 1430425358 /nfs/dbraw/zinc/42/53/58/1430425358.db2.gz ICDZAECYYPGJDA-LLVKDONJSA-N 0 1 390.396 3.051 20 5 GGBDMN C[C@@H](C(=O)NC[C@H](c1ccco1)N1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000182289339 1430443377 /nfs/dbraw/zinc/44/33/77/1430443377.db2.gz NALQLXKPTVWZMZ-CXAGYDPISA-N 0 1 375.400 3.384 20 5 GGBDMN CC(=O)Nc1cccc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000182524784 1430483461 /nfs/dbraw/zinc/48/34/61/1430483461.db2.gz MUPRMGRSULZHPE-NSHDSACASA-N 0 1 390.827 3.496 20 5 GGBDMN C[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)N1CCc2ccccc2C1 ZINC000182619995 1430503693 /nfs/dbraw/zinc/50/36/93/1430503693.db2.gz QIZWOTCXEOOAMI-GJZGRUSLSA-N 0 1 385.439 3.400 20 5 GGBDMN C[C@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1nnc2ccccn21 ZINC000182671648 1430514159 /nfs/dbraw/zinc/51/41/59/1430514159.db2.gz MMPFIQGTRQGVCY-ZDUSSCGKSA-N 0 1 378.392 3.186 20 5 GGBDMN O=[N+]([O-])c1cc(CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c2c(c1)COCO2 ZINC000182696192 1430519762 /nfs/dbraw/zinc/51/97/62/1430519762.db2.gz GWZQUHPMRWYYJZ-PKOBYXMFSA-N 0 1 392.358 3.359 20 5 GGBDMN O=[N+]([O-])c1cc(CN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c2c(c1)COCO2 ZINC000182696209 1430520006 /nfs/dbraw/zinc/52/00/06/1430520006.db2.gz GWZQUHPMRWYYJZ-HKUYNNGSSA-N 0 1 392.358 3.359 20 5 GGBDMN O=C(N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000182724099 1430527838 /nfs/dbraw/zinc/52/78/38/1430527838.db2.gz UKCKCQSLVRLYIX-DOTOQJQBSA-N 0 1 388.330 3.009 20 5 GGBDMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182770727 1430537082 /nfs/dbraw/zinc/53/70/82/1430537082.db2.gz FMUURWHXNFXRFA-UHFFFAOYSA-N 0 1 376.275 3.390 20 5 GGBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000183190925 1430643511 /nfs/dbraw/zinc/64/35/11/1430643511.db2.gz UINWDMMUELNQRX-OAHLLOKOSA-N 0 1 384.358 3.181 20 5 GGBDMN COc1ccc(S(=O)(=O)Nc2c(C)noc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000183346535 1430684451 /nfs/dbraw/zinc/68/44/51/1430684451.db2.gz IXNGYPXABXCKLD-UHFFFAOYSA-N 0 1 389.389 3.368 20 5 GGBDMN CCCN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000183551095 1430740534 /nfs/dbraw/zinc/74/05/34/1430740534.db2.gz YUSQDHLTHAPQQE-KRWDZBQOSA-N 0 1 397.479 3.089 20 5 GGBDMN COc1ccc([C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])N2CCCCC2)cc1 ZINC000183600683 1430751731 /nfs/dbraw/zinc/75/17/31/1430751731.db2.gz QDTCNHMPXUKGOL-SFHVURJKSA-N 0 1 399.451 3.347 20 5 GGBDMN C[C@H](C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000183606935 1430753307 /nfs/dbraw/zinc/75/33/07/1430753307.db2.gz LVYHMCLQDIFCCE-AAEUAGOBSA-N 0 1 387.415 3.239 20 5 GGBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](C2(C)OCCO2)C1 ZINC000183836695 1430802945 /nfs/dbraw/zinc/80/29/45/1430802945.db2.gz JULOXSZVZHAWLI-HIFRSBDPSA-N 0 1 388.424 3.181 20 5 GGBDMN O=[N+]([O-])c1cc(CN[C@@]2(CO)CCOC2)ccc1Oc1ccccc1Cl ZINC000184189830 1430853711 /nfs/dbraw/zinc/85/37/11/1430853711.db2.gz RVVDNAYQRUOAJX-GOSISDBHSA-N 0 1 378.812 3.282 20 5 GGBDMN CC[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1nc(C)cs1 ZINC000184345676 1430875741 /nfs/dbraw/zinc/87/57/41/1430875741.db2.gz FZUAAPAXORMZLA-CYBMUJFWSA-N 0 1 378.454 3.438 20 5 GGBDMN C[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC000184445109 1430888621 /nfs/dbraw/zinc/88/86/21/1430888621.db2.gz WHSFGZFHLQBMIU-OCCSQVGLSA-N 0 1 379.482 3.439 20 5 GGBDMN C[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC000184445142 1430888711 /nfs/dbraw/zinc/88/87/11/1430888711.db2.gz WHSFGZFHLQBMIU-TZMCWYRMSA-N 0 1 379.482 3.439 20 5 GGBDMN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc(-c2nnc[nH]2)cc1 ZINC000184468269 1430891275 /nfs/dbraw/zinc/89/12/75/1430891275.db2.gz XCJWRNNKTKMPHZ-UHFFFAOYSA-N 0 1 375.348 3.022 20 5 GGBDMN CCCN(CCc1cccs1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000184503693 1430896127 /nfs/dbraw/zinc/89/61/27/1430896127.db2.gz HZTUZAOJODQYDQ-UHFFFAOYSA-N 0 1 391.449 3.278 20 5 GGBDMN C[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000184509392 1430896710 /nfs/dbraw/zinc/89/67/10/1430896710.db2.gz NIKFJXDOGJKWHB-OLZOCXBDSA-N 0 1 379.482 3.439 20 5 GGBDMN C[C@H](C(=O)NCCN(C)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000184520737 1430897787 /nfs/dbraw/zinc/89/77/87/1430897787.db2.gz JNSYFYKGYNGCPV-ZDUSSCGKSA-N 0 1 377.391 3.225 20 5 GGBDMN C[C@@H](C(=O)NC1CCN(Cc2cccnc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184558199 1430904083 /nfs/dbraw/zinc/90/40/83/1430904083.db2.gz OYUOTDHSLFQTHT-CQSZACIVSA-N 0 1 386.427 3.013 20 5 GGBDMN O=[N+]([O-])c1ccccc1CS(=O)(=O)N(CCN1CCCC1)c1ccccc1 ZINC000184559155 1430904450 /nfs/dbraw/zinc/90/44/50/1430904450.db2.gz KAXFJAQNWWZYMM-UHFFFAOYSA-N 0 1 389.477 3.027 20 5 GGBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000184698552 1430945256 /nfs/dbraw/zinc/94/52/56/1430945256.db2.gz SJVNRJFWXBLCLV-LJQANCHMSA-N 0 1 396.491 3.339 20 5 GGBDMN CCc1ccc([C@H](COC)NCCC(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000184796766 1430980687 /nfs/dbraw/zinc/98/06/87/1430980687.db2.gz CNTNTEQZVHBBDN-INIZCTEOSA-N 0 1 375.425 3.365 20 5 GGBDMN C[C@@H](CCN1CCN(C)CC1)Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000184828532 1430993999 /nfs/dbraw/zinc/99/39/99/1430993999.db2.gz LIPBHDYEAOMTPC-KRWDZBQOSA-N 0 1 396.491 3.264 20 5 GGBDMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184837681 1430999252 /nfs/dbraw/zinc/99/92/52/1430999252.db2.gz PULNYAOCYZYWDG-QGZVFWFLSA-N 0 1 383.448 3.285 20 5 GGBDMN CCc1ccc([C@H](COC)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000184854369 1431004616 /nfs/dbraw/zinc/00/46/16/1431004616.db2.gz FNNBYWIISOWZBN-KRWDZBQOSA-N 0 1 375.425 3.365 20 5 GGBDMN COc1cccc([C@@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)N(C)C)c1 ZINC000184912334 1431019324 /nfs/dbraw/zinc/01/93/24/1431019324.db2.gz YQJWWTDOOKQUCY-ORAYPTAESA-N 0 1 389.427 3.265 20 5 GGBDMN CC[C@@H](NCc1cccc(N2CCCS2(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000185290688 1431101577 /nfs/dbraw/zinc/10/15/77/1431101577.db2.gz YAHSEUFSRWMLOO-LJQANCHMSA-N 0 1 389.477 3.376 20 5 GGBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H](c2c(F)cccc2F)C1 ZINC000185300114 1431104978 /nfs/dbraw/zinc/10/49/78/1431104978.db2.gz HUKDUGWUJRAYCS-KBPBESRZSA-N 0 1 378.375 3.102 20 5 GGBDMN Cc1ccc([C@H](C)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000185343959 1431120908 /nfs/dbraw/zinc/12/09/08/1431120908.db2.gz GADCSQGEMFSYFP-FXAWDEMLSA-N 0 1 397.475 3.024 20 5 GGBDMN COc1ccccc1-c1n[nH]c(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000185430349 1431143905 /nfs/dbraw/zinc/14/39/05/1431143905.db2.gz LVUFXDZGYAUNEB-JTQLQIEISA-N 0 1 385.355 3.270 20 5 GGBDMN CN(C)[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000185468877 1431151840 /nfs/dbraw/zinc/15/18/40/1431151840.db2.gz JJUSHBZNZOSTML-CQSZACIVSA-N 0 1 397.357 3.433 20 5 GGBDMN C[C@@H](c1ccccc1)N1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000185806472 1431240484 /nfs/dbraw/zinc/24/04/84/1431240484.db2.gz IALQFDLGAJPBDW-HNNXBMFYSA-N 0 1 389.477 3.099 20 5 GGBDMN CCN(C(=O)c1cc([N+](=O)[O-])ccc1OC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186315312 1431379808 /nfs/dbraw/zinc/37/98/08/1431379808.db2.gz ZJXGNOWNYXRMFG-SFHVURJKSA-N 0 1 383.448 3.340 20 5 GGBDMN CCN(C(=O)c1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186315292 1431379876 /nfs/dbraw/zinc/37/98/76/1431379876.db2.gz ZJXGNOWNYXRMFG-GOSISDBHSA-N 0 1 383.448 3.340 20 5 GGBDMN Cn1c2ccccc2nc1C(C)(C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000186406255 1431404863 /nfs/dbraw/zinc/40/48/63/1431404863.db2.gz RSCYZNYWJRSWFL-UHFFFAOYSA-N 0 1 378.392 3.023 20 5 GGBDMN CCOC(=O)C[C@@](C)(NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000186674921 1431488846 /nfs/dbraw/zinc/48/88/46/1431488846.db2.gz ABYYEJIBQDFPDM-GOSISDBHSA-N 0 1 376.413 3.102 20 5 GGBDMN CCOC(=O)C[C@@](C)(NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000186704246 1431496683 /nfs/dbraw/zinc/49/66/83/1431496683.db2.gz FYPIELBZPYWUSZ-GOSISDBHSA-N 0 1 376.413 3.102 20 5 GGBDMN C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC[N@H+]1Cc1ccccc1 ZINC000186869887 1431548060 /nfs/dbraw/zinc/54/80/60/1431548060.db2.gz JWUUBQQZSKJRTG-NVXWUHKLSA-N 0 1 383.448 3.426 20 5 GGBDMN COc1c(F)cc(S(=O)(=O)Nc2ccc3ccn(C)c3c2)cc1[N+](=O)[O-] ZINC000187330219 1431698552 /nfs/dbraw/zinc/69/85/52/1431698552.db2.gz DBIPDQIXVLTUTB-UHFFFAOYSA-N 0 1 379.369 3.035 20 5 GGBDMN COc1c(F)cc(S(=O)(=O)Nc2cccc(-c3ncco3)c2)cc1[N+](=O)[O-] ZINC000187587771 1431773847 /nfs/dbraw/zinc/77/38/47/1431773847.db2.gz HTSFUTUKIYOZNI-UHFFFAOYSA-N 0 1 393.352 3.198 20 5 GGBDMN CCN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](C)Cc1ccsc1 ZINC000187807545 1431814779 /nfs/dbraw/zinc/81/47/79/1431814779.db2.gz GENNVLLEVUABRV-GFCCVEGCSA-N 0 1 391.449 3.277 20 5 GGBDMN CSc1cccc(C(=O)NC2CCN(Cc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000188066872 1431841935 /nfs/dbraw/zinc/84/19/35/1431841935.db2.gz BUJOUVBQNYHLCG-UHFFFAOYSA-N 0 1 386.477 3.106 20 5 GGBDMN Cc1ccc(S(=O)(=O)Nc2ccc3nnc(C4CCC4)n3c2)cc1[N+](=O)[O-] ZINC000188233476 1431864263 /nfs/dbraw/zinc/86/42/63/1431864263.db2.gz BGLHNWXULKXSBH-UHFFFAOYSA-N 0 1 387.421 3.014 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2nnc(C3CCC3)n2c1 ZINC000188238381 1431864604 /nfs/dbraw/zinc/86/46/04/1431864604.db2.gz ULANLSKAHMNSNE-UHFFFAOYSA-N 0 1 387.421 3.014 20 5 GGBDMN CCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000188348414 1431875877 /nfs/dbraw/zinc/87/58/77/1431875877.db2.gz OBNLUKZDKFTHCP-GOSISDBHSA-N 0 1 398.463 3.212 20 5 GGBDMN CCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000188348414 1431875879 /nfs/dbraw/zinc/87/58/79/1431875879.db2.gz OBNLUKZDKFTHCP-GOSISDBHSA-N 0 1 398.463 3.212 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2CC)c1[N+](=O)[O-] ZINC000188355439 1431876368 /nfs/dbraw/zinc/87/63/68/1431876368.db2.gz NDVDVPPDOCOIHH-OAHLLOKOSA-N 0 1 382.424 3.227 20 5 GGBDMN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000189464910 1432121109 /nfs/dbraw/zinc/12/11/09/1432121109.db2.gz BLSPKLQCPBDOOX-HXUWFJFHSA-N 0 1 382.420 3.275 20 5 GGBDMN O=[N+]([O-])c1ccc(OC2CCN(CCOCC(F)(F)C(F)F)CC2)cc1 ZINC000189477071 1432127322 /nfs/dbraw/zinc/12/73/22/1432127322.db2.gz ALZSOHUPMPLHAW-UHFFFAOYSA-N 0 1 380.338 3.355 20 5 GGBDMN CCN(CC)Cc1cccc(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c1 ZINC000189701443 1432208879 /nfs/dbraw/zinc/20/88/79/1432208879.db2.gz JEKWDRYFKKOTAX-UHFFFAOYSA-N 0 1 391.493 3.452 20 5 GGBDMN C[C@H](CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)N(C)Cc1ccccc1 ZINC000189900630 1432267283 /nfs/dbraw/zinc/26/72/83/1432267283.db2.gz IJYKPAPYZSAIRU-OAHLLOKOSA-N 0 1 391.493 3.321 20 5 GGBDMN CC(C)c1ccc(C(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000190343616 1432364689 /nfs/dbraw/zinc/36/46/89/1432364689.db2.gz UDKJJUHRKGHQRX-MOPGFXCFSA-N 0 1 397.475 3.083 20 5 GGBDMN CC(C)c1ccc(C(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000190343616 1432364691 /nfs/dbraw/zinc/36/46/91/1432364691.db2.gz UDKJJUHRKGHQRX-MOPGFXCFSA-N 0 1 397.475 3.083 20 5 GGBDMN Cc1ccc(CN[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1[N+](=O)[O-] ZINC000190481236 1432390123 /nfs/dbraw/zinc/39/01/23/1432390123.db2.gz OIJHOZZWCMMJFC-SFHVURJKSA-N 0 1 389.402 3.462 20 5 GGBDMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000190740684 1432463838 /nfs/dbraw/zinc/46/38/38/1432463838.db2.gz MUTPMAALADPXPO-UHFFFAOYSA-N 0 1 386.477 3.287 20 5 GGBDMN CC(C)c1ccc(C(=O)NCc2n[nH]c(COc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000190792214 1432481820 /nfs/dbraw/zinc/48/18/20/1432481820.db2.gz PAKFRYGRGUZEON-UHFFFAOYSA-N 0 1 395.419 3.345 20 5 GGBDMN COc1cc(CN(C)CC2CC(O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000191168139 1432580709 /nfs/dbraw/zinc/58/07/09/1432580709.db2.gz VWIIWRWARDAIRG-UHFFFAOYSA-N 0 1 386.448 3.385 20 5 GGBDMN CC(C)=CCNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000191749532 1432717523 /nfs/dbraw/zinc/71/75/23/1432717523.db2.gz CSYQPBYTHVFRHQ-UHFFFAOYSA-N 0 1 389.433 3.092 20 5 GGBDMN CCN1CCC(N(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000191977379 1432773366 /nfs/dbraw/zinc/77/33/66/1432773366.db2.gz FFQUNJFQDVUPBC-UHFFFAOYSA-N 0 1 389.477 3.274 20 5 GGBDMN O=C(CN[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000192024404 1432780988 /nfs/dbraw/zinc/78/09/88/1432780988.db2.gz YREHWXIKDJQNGB-MAUKXSAKSA-N 0 1 375.812 3.307 20 5 GGBDMN CN(C(=O)CN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000192024021 1432781094 /nfs/dbraw/zinc/78/10/94/1432781094.db2.gz MZGGJJUFUUPMOA-MJGOQNOKSA-N 0 1 389.839 3.331 20 5 GGBDMN O=C(CN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000192075581 1432793582 /nfs/dbraw/zinc/79/35/82/1432793582.db2.gz IMUWACAMHUJLMU-QAPCUYQASA-N 0 1 393.802 3.446 20 5 GGBDMN NC(=O)c1ccc(CN[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000192093486 1432797176 /nfs/dbraw/zinc/79/71/76/1432797176.db2.gz CXVWGRFYCYDBTP-RDJZCZTQSA-N 0 1 393.802 3.106 20 5 GGBDMN NC(=O)c1ccc(CN[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000192093473 1432797427 /nfs/dbraw/zinc/79/74/27/1432797427.db2.gz CXVWGRFYCYDBTP-WBVHZDCISA-N 0 1 393.802 3.106 20 5 GGBDMN Cc1ccc([C@@H](C)NCCN(Cc2ccccc2)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000192162375 1432810361 /nfs/dbraw/zinc/81/03/61/1432810361.db2.gz GQEKDYUZYJPKAJ-MRXNPFEDSA-N 0 1 391.493 3.016 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H]1CCCc2c(O)cccc21 ZINC000192351101 1432835324 /nfs/dbraw/zinc/83/53/24/1432835324.db2.gz SYTUBRJKUYQIJM-MLGOLLRUSA-N 0 1 385.420 3.303 20 5 GGBDMN CCc1[nH]nc(C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000192494415 1432850818 /nfs/dbraw/zinc/85/08/18/1432850818.db2.gz BWIZHNUHRBWNPQ-UHFFFAOYSA-N 0 1 397.410 3.300 20 5 GGBDMN CCn1nc(C)c([N+](=O)[O-])c1NCc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000192501722 1432851923 /nfs/dbraw/zinc/85/19/23/1432851923.db2.gz CCNIGMVIPZXBHZ-GASCZTMLSA-N 0 1 387.484 3.341 20 5 GGBDMN CCc1[nH]nc(C(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)c1[N+](=O)[O-] ZINC000192511188 1432853328 /nfs/dbraw/zinc/85/33/28/1432853328.db2.gz ORXGTKXPDLRTJB-UHFFFAOYSA-N 0 1 384.436 3.400 20 5 GGBDMN CCc1[nH]nc(C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000192559429 1432859733 /nfs/dbraw/zinc/85/97/33/1432859733.db2.gz HMTCBHBGILMFJF-HZMBPMFUSA-N 0 1 378.816 3.136 20 5 GGBDMN CCc1[nH]nc(C(=O)N2C[C@H](c3ccccc3Cl)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000192559414 1432859826 /nfs/dbraw/zinc/85/98/26/1432859826.db2.gz HMTCBHBGILMFJF-IINYFYTJSA-N 0 1 378.816 3.136 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)nc2n3CCCCC2)cc1 ZINC000192708999 1432878000 /nfs/dbraw/zinc/87/80/00/1432878000.db2.gz WEEXDMORULTFOT-UHFFFAOYSA-N 0 1 386.433 3.472 20 5 GGBDMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192811129 1432893692 /nfs/dbraw/zinc/89/36/92/1432893692.db2.gz RSBOFJYSGZVSPE-YJYMSZOUSA-N 0 1 389.477 3.231 20 5 GGBDMN CCc1[nH]nc(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)c1[N+](=O)[O-] ZINC000192911462 1432906137 /nfs/dbraw/zinc/90/61/37/1432906137.db2.gz XYPSSUQWYGDCKC-QMTHXVAHSA-N 0 1 378.816 3.136 20 5 GGBDMN CCc1[nH]nc(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)c1[N+](=O)[O-] ZINC000192911474 1432906162 /nfs/dbraw/zinc/90/61/62/1432906162.db2.gz XYPSSUQWYGDCKC-YGRLFVJLSA-N 0 1 378.816 3.136 20 5 GGBDMN CCc1[nH]nc(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000192911451 1432906185 /nfs/dbraw/zinc/90/61/85/1432906185.db2.gz XYPSSUQWYGDCKC-HZMBPMFUSA-N 0 1 378.816 3.136 20 5 GGBDMN O=[N+]([O-])c1ccc(-c2nnc(CSc3nc(-c4ccccc4O)n[nH]3)o2)cc1 ZINC000192945271 1432911397 /nfs/dbraw/zinc/91/13/97/1432911397.db2.gz VFNGEJYZZSUCNF-UHFFFAOYSA-N 0 1 396.388 3.428 20 5 GGBDMN COc1cc(C)c(CN(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000193150342 1432945628 /nfs/dbraw/zinc/94/56/28/1432945628.db2.gz PERXVRPIZWLWEJ-UHFFFAOYSA-N 0 1 384.392 3.069 20 5 GGBDMN Cc1cc(N2CCC[C@@H](c3nc(N(C)C)no3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000193506044 1433010903 /nfs/dbraw/zinc/01/09/03/1433010903.db2.gz FELFJHBTUFOQNU-CYBMUJFWSA-N 0 1 382.424 3.284 20 5 GGBDMN Cc1cccc(CN2CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CC2)c1 ZINC000193631208 1433031305 /nfs/dbraw/zinc/03/13/05/1433031305.db2.gz RJLCZDWNMUDOOO-UHFFFAOYSA-N 0 1 380.448 3.110 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Br ZINC000194134294 1433123323 /nfs/dbraw/zinc/12/33/23/1433123323.db2.gz DALLFLNUWWFVMJ-UHFFFAOYSA-N 0 1 375.175 3.297 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1Br ZINC000194135942 1433123582 /nfs/dbraw/zinc/12/35/82/1433123582.db2.gz OFTIKKLWLYXGKC-UHFFFAOYSA-N 0 1 393.165 3.436 20 5 GGBDMN COc1cccc([C@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)N(C)C)c1 ZINC000194276964 1433154072 /nfs/dbraw/zinc/15/40/72/1433154072.db2.gz YLRMGLUCEDNJOJ-LIRRHRJNSA-N 0 1 386.452 3.267 20 5 GGBDMN Cc1nn(C)c(C)c1-c1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n[nH]1 ZINC000194429425 1433176614 /nfs/dbraw/zinc/17/66/14/1433176614.db2.gz RKODJNZMRVJFCQ-UHFFFAOYSA-N 0 1 396.451 3.386 20 5 GGBDMN CCCC(=O)Nc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000194433335 1433177236 /nfs/dbraw/zinc/17/72/36/1433177236.db2.gz BHQXEHYOTDWKLY-UHFFFAOYSA-N 0 1 377.422 3.443 20 5 GGBDMN Cc1cc(C(=O)NCC(C)C)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194621004 1433206563 /nfs/dbraw/zinc/20/65/63/1433206563.db2.gz SDSVCDYSHUHSRX-UHFFFAOYSA-N 0 1 391.449 3.090 20 5 GGBDMN COCCN1CCC(Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000194957864 1433272340 /nfs/dbraw/zinc/27/23/40/1433272340.db2.gz IOYQJPSXPKDAGC-UHFFFAOYSA-N 0 1 383.448 3.349 20 5 GGBDMN COc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)N2CCCCC2)cc1 ZINC000195128899 1433296583 /nfs/dbraw/zinc/29/65/83/1433296583.db2.gz HFZRKWNQJHTBHU-FQEVSTJZSA-N 0 1 398.463 3.143 20 5 GGBDMN Cc1ccc(S(=O)(=O)NCCNCc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000236651175 1433375264 /nfs/dbraw/zinc/37/52/64/1433375264.db2.gz QBOHMMFRASCOAQ-UHFFFAOYSA-N 0 1 391.493 3.095 20 5 GGBDMN CCCOc1ncccc1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236982789 1433384931 /nfs/dbraw/zinc/38/49/31/1433384931.db2.gz HQXFPFISRIUNCY-UHFFFAOYSA-N 0 1 381.436 3.469 20 5 GGBDMN COc1cc(CNCCn2ccnc2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237208718 1433392811 /nfs/dbraw/zinc/39/28/11/1433392811.db2.gz NJLXOTZHPXAINH-UHFFFAOYSA-N 0 1 382.420 3.169 20 5 GGBDMN COc1cc(C(=O)N2CCNCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237242264 1433393878 /nfs/dbraw/zinc/39/38/78/1433393878.db2.gz KOQSHFFOQDRSSH-UHFFFAOYSA-N 0 1 391.811 3.095 20 5 GGBDMN COc1cc(CNC[C@H](c2ccc(C)o2)N2CCCC2)c([N+](=O)[O-])cc1OC ZINC000237425852 1433402548 /nfs/dbraw/zinc/40/25/48/1433402548.db2.gz PQINSFQHEWSHHF-QGZVFWFLSA-N 0 1 389.452 3.440 20 5 GGBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000245448267 1433469691 /nfs/dbraw/zinc/46/96/91/1433469691.db2.gz MTKGJUNTXUAXAC-SJLPKXTDSA-N 0 1 383.448 3.461 20 5 GGBDMN Cc1c(NC(=O)[C@@H](C)N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cccc1[N+](=O)[O-] ZINC000245775159 1433515589 /nfs/dbraw/zinc/51/55/89/1433515589.db2.gz TVSZSDTUIDOBQP-UKRRQHHQSA-N 0 1 398.467 3.105 20 5 GGBDMN Cc1c(NC(=O)[C@@H](C)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cccc1[N+](=O)[O-] ZINC000245775159 1433515590 /nfs/dbraw/zinc/51/55/90/1433515590.db2.gz TVSZSDTUIDOBQP-UKRRQHHQSA-N 0 1 398.467 3.105 20 5 GGBDMN COc1cc(CN(C)C[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000245888218 1433534378 /nfs/dbraw/zinc/53/43/78/1433534378.db2.gz BVBLCRWZSWGFKT-SWLSCSKDSA-N 0 1 388.411 3.230 20 5 GGBDMN COc1cc(CN(C)C[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000245888214 1433534730 /nfs/dbraw/zinc/53/47/30/1433534730.db2.gz BVBLCRWZSWGFKT-IUODEOHRSA-N 0 1 388.411 3.230 20 5 GGBDMN CCN(CC)C(=O)[C@H](c1ccccc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246178353 1433578451 /nfs/dbraw/zinc/57/84/51/1433578451.db2.gz QVYHMPKWBWWFPR-XLIONFOSSA-N 0 1 397.479 3.086 20 5 GGBDMN 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/nfs/dbraw/zinc/20/04/69/1434200469.db2.gz RNNMGFFOPOQPHQ-HUUCEWRRSA-N 0 1 396.447 3.399 20 5 GGBDMN CCOC(=O)c1cc(NC2CCN(Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000268130034 1434496856 /nfs/dbraw/zinc/49/68/56/1434496856.db2.gz FCKAECQDDXTKQI-UHFFFAOYSA-N 0 1 384.436 3.243 20 5 GGBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(C2(C)OCCO2)CC1 ZINC000268197606 1434501314 /nfs/dbraw/zinc/50/13/14/1434501314.db2.gz YLRQYDICBSMMDO-CYBMUJFWSA-N 0 1 388.424 3.181 20 5 GGBDMN CC(=O)N1CCN(c2ccccc2CN[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000268807475 1434559720 /nfs/dbraw/zinc/55/97/20/1434559720.db2.gz GEMOUCMEHODRQE-MRXNPFEDSA-N 0 1 382.464 3.114 20 5 GGBDMN CC(=O)N1CCN(c2ccccc2CN[C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000268815293 1434560371 /nfs/dbraw/zinc/56/03/71/1434560371.db2.gz IFIRDWPKYQXGAY-QGZVFWFLSA-N 0 1 396.491 3.423 20 5 GGBDMN CN(C[C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1)C(=O)OC(C)(C)C ZINC000269168561 1434600883 /nfs/dbraw/zinc/60/08/83/1434600883.db2.gz 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CC(C)c1[nH]nc(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000269432434 1434645000 /nfs/dbraw/zinc/64/50/00/1434645000.db2.gz NUQJZTPLRWNWQU-CYBMUJFWSA-N 0 1 378.816 3.308 20 5 GGBDMN CCc1csc([C@H]2CCCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])C2)n1 ZINC000269469178 1434650197 /nfs/dbraw/zinc/65/01/97/1434650197.db2.gz UIUTUWOYCGHQDJ-NSHDSACASA-N 0 1 377.470 3.480 20 5 GGBDMN Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])o1 ZINC000269487796 1434652921 /nfs/dbraw/zinc/65/29/21/1434652921.db2.gz LAZLYBCHUKHSNX-CQSZACIVSA-N 0 1 396.407 3.073 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000269510546 1434655126 /nfs/dbraw/zinc/65/51/26/1434655126.db2.gz OOZMXBVNJFOAAL-SMDDNHRTSA-N 0 1 376.388 3.183 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)c1[N+](=O)[O-] ZINC000269554055 1434659113 /nfs/dbraw/zinc/65/91/13/1434659113.db2.gz YPJOYWKFSWZIGI-RYUDHWBXSA-N 0 1 378.454 3.231 20 5 GGBDMN 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Cc1cc(N2CCC[C@H](c3nnc4n3CCC4)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272882497 1434938418 /nfs/dbraw/zinc/93/84/18/1434938418.db2.gz VTFBIRITBLITOT-AWEZNQCLSA-N 0 1 378.436 3.373 20 5 GGBDMN CCOc1ccc([C@H](C)N[C@@H]2CCCN(Cc3ccccn3)C2=O)cc1[N+](=O)[O-] ZINC000273324012 1434981006 /nfs/dbraw/zinc/98/10/06/1434981006.db2.gz ZVEMUQPXIATMFT-MAUKXSAKSA-N 0 1 398.463 3.230 20 5 GGBDMN Cc1n[nH]c(CCNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)n1 ZINC000273385591 1434985411 /nfs/dbraw/zinc/98/54/11/1434985411.db2.gz DGMFXAZFYSCUTN-UHFFFAOYSA-N 0 1 389.481 3.276 20 5 GGBDMN O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000273435203 1434988712 /nfs/dbraw/zinc/98/87/12/1434988712.db2.gz WUDZTKQXFLBQDT-CXAGYDPISA-N 0 1 384.367 3.260 20 5 GGBDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273446811 1434989453 /nfs/dbraw/zinc/98/94/53/1434989453.db2.gz KHUMSJIEUQDGDF-ZDUSSCGKSA-N 0 1 387.415 3.476 20 5 GGBDMN CC(C)(C(=O)NCCc1nc2ccc(F)cc2[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000273806030 1435016193 /nfs/dbraw/zinc/01/61/93/1435016193.db2.gz BZLZWKVAMHEOEL-UHFFFAOYSA-N 0 1 388.374 3.386 20 5 GGBDMN Cc1cc(C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)CC2)n[nH]1 ZINC000273931380 1435029681 /nfs/dbraw/zinc/02/96/81/1435029681.db2.gz IDPUCDXVLHFKQZ-UHFFFAOYSA-N 0 1 398.872 3.156 20 5 GGBDMN CC(C)N1CCC[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000274424468 1435070168 /nfs/dbraw/zinc/07/01/68/1435070168.db2.gz DXDGSEWMFFAIJO-KRWDZBQOSA-N 0 1 377.488 3.144 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000274459208 1435072649 /nfs/dbraw/zinc/07/26/49/1435072649.db2.gz WHGUCBWIIOOQQR-CYBMUJFWSA-N 0 1 378.816 3.308 20 5 GGBDMN C[C@@H]1CN(Cc2ccccc2NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000274654355 1435083543 /nfs/dbraw/zinc/08/35/43/1435083543.db2.gz DETVQLIMFIWKDH-OKILXGFUSA-N 0 1 385.420 3.162 20 5 GGBDMN CS[C@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@@H]1N(C)C ZINC000275910263 1435179183 /nfs/dbraw/zinc/17/91/83/1435179183.db2.gz DJNQHIHMZONKTR-OALUTQOASA-N 0 1 381.501 3.211 20 5 GGBDMN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000276361977 1435207031 /nfs/dbraw/zinc/20/70/31/1435207031.db2.gz MSFMAQDGCJTQLF-CQSZACIVSA-N 0 1 398.467 3.363 20 5 GGBDMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000276890184 1435240685 /nfs/dbraw/zinc/24/06/85/1435240685.db2.gz BYFTYXVENHVELI-UHFFFAOYSA-N 0 1 395.419 3.155 20 5 GGBDMN CCOc1cc(CN2CCC(CC(=O)N3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000276928279 1435243980 /nfs/dbraw/zinc/24/39/80/1435243980.db2.gz QKRBEUIGYBBFCG-UHFFFAOYSA-N 0 1 375.469 3.218 20 5 GGBDMN Cc1noc(C[C@H](N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277432743 1435304412 /nfs/dbraw/zinc/30/44/12/1435304412.db2.gz QDQFASZJCRIRMR-UGSOOPFHSA-N 0 1 395.419 3.187 20 5 GGBDMN Cc1[nH]nc(C(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)c1[N+](=O)[O-] ZINC000277579909 1435314141 /nfs/dbraw/zinc/31/41/41/1435314141.db2.gz OLOJKKZHWDNVNR-GFCCVEGCSA-N 0 1 384.421 3.198 20 5 GGBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])n[nH]1 ZINC000277935911 1435343791 /nfs/dbraw/zinc/34/37/91/1435343791.db2.gz SFBLYSALUODXAW-ZJUUUORDSA-N 0 1 393.469 3.448 20 5 GGBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])n[nH]1 ZINC000277935903 1435343849 /nfs/dbraw/zinc/34/38/49/1435343849.db2.gz SFBLYSALUODXAW-NXEZZACHSA-N 0 1 393.469 3.448 20 5 GGBDMN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000278468801 1435393229 /nfs/dbraw/zinc/39/32/29/1435393229.db2.gz UGZGJGCUSUFTTF-SNVBAGLBSA-N 0 1 382.346 3.388 20 5 GGBDMN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000278468801 1435393234 /nfs/dbraw/zinc/39/32/34/1435393234.db2.gz UGZGJGCUSUFTTF-SNVBAGLBSA-N 0 1 382.346 3.388 20 5 GGBDMN CC1(C)C[C@H](NCc2ccc(N3CCOCC3)nc2)c2cc([N+](=O)[O-])ccc21 ZINC000278997748 1435450516 /nfs/dbraw/zinc/45/05/16/1435450516.db2.gz FLTLCPYNMYFLQX-IBGZPJMESA-N 0 1 382.464 3.339 20 5 GGBDMN CNS(=O)(=O)c1cccc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000279083241 1435458584 /nfs/dbraw/zinc/45/85/84/1435458584.db2.gz MWCOREVYSVSRDB-SFHVURJKSA-N 0 1 389.477 3.015 20 5 GGBDMN CC1(C)C[C@H](N[C@H]2CCCN(Cc3ccccn3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000279139803 1435464398 /nfs/dbraw/zinc/46/43/98/1435464398.db2.gz RUJHOWZZPBYYQR-PMACEKPBSA-N 0 1 394.475 3.493 20 5 GGBDMN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCN1Cc1ccccc1 ZINC000279531139 1435510320 /nfs/dbraw/zinc/51/03/20/1435510320.db2.gz VYNBHOIAFXHXKX-AWEZNQCLSA-N 0 1 386.427 3.053 20 5 GGBDMN COc1cc(CN2CCC[C@@](C)(O)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000279578835 1435515303 /nfs/dbraw/zinc/51/53/03/1435515303.db2.gz BGOVXJXMFDWLPS-MRXNPFEDSA-N 0 1 392.374 3.281 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000279611930 1435518772 /nfs/dbraw/zinc/51/87/72/1435518772.db2.gz WWNYUOAYNIYXOW-UHFFFAOYSA-N 0 1 388.399 3.316 20 5 GGBDMN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280793396 1435721403 /nfs/dbraw/zinc/72/14/03/1435721403.db2.gz HRXGVKLPYDMYLI-MRXNPFEDSA-N 0 1 397.884 3.397 20 5 GGBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000281077060 1435768801 /nfs/dbraw/zinc/76/88/01/1435768801.db2.gz CFFBYFFCGTYIOE-MRXNPFEDSA-N 0 1 375.400 3.165 20 5 GGBDMN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)n1 ZINC000281218236 1435798531 /nfs/dbraw/zinc/79/85/31/1435798531.db2.gz QXDVZVAZLBUFCZ-CYBMUJFWSA-N 0 1 395.419 3.345 20 5 GGBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000281498065 1435811273 /nfs/dbraw/zinc/81/12/73/1435811273.db2.gz HRGCCWIPKQRYCF-OAHLLOKOSA-N 0 1 399.451 3.074 20 5 GGBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000281498051 1435811328 /nfs/dbraw/zinc/81/13/28/1435811328.db2.gz HRGCCWIPKQRYCF-HNNXBMFYSA-N 0 1 399.451 3.074 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N(CCc2ccccn2)Cc2ccncc2)c1[N+](=O)[O-] ZINC000281845540 1435824055 /nfs/dbraw/zinc/82/40/55/1435824055.db2.gz RLYXJDXUXMPPNT-UHFFFAOYSA-N 0 1 394.435 3.116 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N2CCC(N3CCc4ccccc43)CC2)c1[N+](=O)[O-] ZINC000281952115 1435828290 /nfs/dbraw/zinc/82/82/90/1435828290.db2.gz ANJXQLJBTNYEHE-UHFFFAOYSA-N 0 1 383.452 3.109 20 5 GGBDMN CN(C)[C@@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000282412466 1435846288 /nfs/dbraw/zinc/84/62/88/1435846288.db2.gz LEUFQZIQIYDZQY-KRWDZBQOSA-N 0 1 376.482 3.143 20 5 GGBDMN C[C@@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284151347 1435999362 /nfs/dbraw/zinc/99/93/62/1435999362.db2.gz PHNFMEKTBYDVRB-BFUOFWGJSA-N 0 1 384.436 3.145 20 5 GGBDMN C[C@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284151357 1435999567 /nfs/dbraw/zinc/99/95/67/1435999567.db2.gz PHNFMEKTBYDVRB-ORAYPTAESA-N 0 1 384.436 3.145 20 5 GGBDMN C[C@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284151352 1435999770 /nfs/dbraw/zinc/99/97/70/1435999770.db2.gz PHNFMEKTBYDVRB-DJJJIMSYSA-N 0 1 384.436 3.145 20 5 GGBDMN C[C@@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284151363 1435999880 /nfs/dbraw/zinc/99/98/80/1435999880.db2.gz PHNFMEKTBYDVRB-YJYMSZOUSA-N 0 1 384.436 3.145 20 5 GGBDMN COc1cc(CNc2ccc(C(=O)N3CCCC3)cc2C)cc([N+](=O)[O-])c1O ZINC000284318556 1436013033 /nfs/dbraw/zinc/01/30/33/1436013033.db2.gz SYWGNXDYHFGZBA-UHFFFAOYSA-N 0 1 385.420 3.466 20 5 GGBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000284389373 1436018104 /nfs/dbraw/zinc/01/81/04/1436018104.db2.gz MQAGPBXPDPAKLW-HNNXBMFYSA-N 0 1 398.463 3.344 20 5 GGBDMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820761582 1441683369 /nfs/dbraw/zinc/68/33/69/1441683369.db2.gz XZMWROBTNWSFRN-RHSMWYFYSA-N 0 1 393.451 3.097 20 5 GGBDMN C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820761582 1441683370 /nfs/dbraw/zinc/68/33/70/1441683370.db2.gz XZMWROBTNWSFRN-RHSMWYFYSA-N 0 1 393.451 3.097 20 5 GGBDMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820761582 1441683373 /nfs/dbraw/zinc/68/33/73/1441683373.db2.gz XZMWROBTNWSFRN-RHSMWYFYSA-N 0 1 393.451 3.097 20 5 GGBDMN O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3F)o2)c1 ZINC000738366643 1441971847 /nfs/dbraw/zinc/97/18/47/1441971847.db2.gz GPVFNQRFBPRQOD-UHFFFAOYSA-N 0 1 394.366 3.464 20 5 GGBDMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000820555774 1442367427 /nfs/dbraw/zinc/36/74/27/1442367427.db2.gz PMZMSEWSGAUYBH-AWEZNQCLSA-N 0 1 394.435 3.379 20 5 GGBDMN O=[N+]([O-])c1ccc(CCCCNc2[nH+]c3c(cc2-c2nnn[n-]2)CCC3)cc1 ZINC000738361701 1443121291 /nfs/dbraw/zinc/12/12/91/1443121291.db2.gz YWQUOPVHWIDBIR-UHFFFAOYSA-N 0 1 379.424 3.093 20 5 GGBDMN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000738360561 1443558213 /nfs/dbraw/zinc/55/82/13/1443558213.db2.gz YEXUCIYQGLJIRK-UHFFFAOYSA-N 0 1 379.424 3.157 20 5 GGBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+]C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824334510 1446719480 /nfs/dbraw/zinc/71/94/80/1446719480.db2.gz WOOZPVOBUCBXDB-UHFFFAOYSA-N 0 1 394.435 3.341 20 5 GGBDMN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000823629696 1446970680 /nfs/dbraw/zinc/97/06/80/1446970680.db2.gz FDYOEEKZKCZOHV-UHFFFAOYSA-N 0 1 393.451 3.373 20 5 GGBDMN C[C@@H]1CCCC[N@H+]1Cc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000824941633 1447040613 /nfs/dbraw/zinc/04/06/13/1447040613.db2.gz ZHVSNLCMQXNTRU-CYBMUJFWSA-N 0 1 394.439 3.288 20 5 GGBDMN C[C@@H]1CCCC[N@@H+]1Cc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000824941633 1447040620 /nfs/dbraw/zinc/04/06/20/1447040620.db2.gz ZHVSNLCMQXNTRU-CYBMUJFWSA-N 0 1 394.439 3.288 20 5 GGBDMN C[C@@H]1CCCC[N@H+]1Cc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000824941633 1447040626 /nfs/dbraw/zinc/04/06/26/1447040626.db2.gz ZHVSNLCMQXNTRU-CYBMUJFWSA-N 0 1 394.439 3.288 20 5 GGBDMN Cc1ccc([C@H](C)[NH2+]CCCOc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000826283110 1450460763 /nfs/dbraw/zinc/46/07/63/1450460763.db2.gz KNZBZCCLYNYTSN-AWEZNQCLSA-N 0 1 382.424 3.203 20 5 GGBDMN CC(C)Oc1nc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)ccc1[N+](=O)[O-] ZINC001164729393 720453989 /nfs/dbraw/zinc/45/39/89/720453989.db2.gz HIVLYFZJJWIOTK-SJORKVTESA-N 0 1 383.452 3.025 20 5 GGBDMN CC(C)Oc1nc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)ccc1[N+](=O)[O-] ZINC001164729391 720454816 /nfs/dbraw/zinc/45/48/16/720454816.db2.gz HIVLYFZJJWIOTK-IRXDYDNUSA-N 0 1 383.452 3.025 20 5 GGBDMN CC(C)N(C)Cc1cnc2n1CCN(c1cc(Cl)ncc1[N+](=O)[O-])[C@@H]2C ZINC001164861667 720936352 /nfs/dbraw/zinc/93/63/52/720936352.db2.gz TXIJPZKKFSZWHP-GFCCVEGCSA-N 0 1 378.864 3.261 20 5 GGBDMN CC(C)N(C)Cc1cnc2n1CCN(c1cc(Cl)ncc1[N+](=O)[O-])[C@H]2C ZINC001164861676 720937200 /nfs/dbraw/zinc/93/72/00/720937200.db2.gz TXIJPZKKFSZWHP-LBPRGKRZSA-N 0 1 378.864 3.261 20 5 GGBDMN O=[N+]([O-])c1cc(Cl)cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164896282 721511753 /nfs/dbraw/zinc/51/17/53/721511753.db2.gz AMYLWLMBOISGNN-GOEBONIOSA-N 0 1 392.818 3.124 20 5 GGBDMN O=[N+]([O-])c1c(Cl)ccnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164899710 721511990 /nfs/dbraw/zinc/51/19/90/721511990.db2.gz LUYFGZIRWJPHCR-HIFRSBDPSA-N 0 1 392.818 3.124 20 5 GGBDMN O=[N+]([O-])c1c(Cl)ccnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164899709 721512004 /nfs/dbraw/zinc/51/20/04/721512004.db2.gz LUYFGZIRWJPHCR-DZGCQCFKSA-N 0 1 392.818 3.124 20 5 GGBDMN O=[N+]([O-])c1c(Cl)ccnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164899713 721512342 /nfs/dbraw/zinc/51/23/42/721512342.db2.gz LUYFGZIRWJPHCR-ZFWWWQNUSA-N 0 1 392.818 3.124 20 5 GGBDMN O=[N+]([O-])c1ccnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164908331 721584580 /nfs/dbraw/zinc/58/45/80/721584580.db2.gz YKCXZEPDNJRZGF-GOSISDBHSA-N 0 1 389.406 3.123 20 5 GGBDMN O=[N+]([O-])c1c(Cl)ccc2nc(N3CCN(C[C@H]4CCCO4)CC3)ccc21 ZINC001165040148 721912279 /nfs/dbraw/zinc/91/22/79/721912279.db2.gz YREJRTBZQLGYBE-CYBMUJFWSA-N 0 1 376.844 3.097 20 5 GGBDMN O=[N+]([O-])c1ccc2nc(Cl)cc(N3CCN(C[C@@H]4CCCO4)CC3)c2c1 ZINC001165038707 721919057 /nfs/dbraw/zinc/91/90/57/721919057.db2.gz OXFNMDRVIBIZMZ-AWEZNQCLSA-N 0 1 376.844 3.097 20 5 GGBDMN COc1cnc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC001164993885 722198179 /nfs/dbraw/zinc/19/81/79/722198179.db2.gz INQWTMFBODEQDG-HXUWFJFHSA-N 0 1 386.427 3.382 20 5 GGBDMN Cc1cc(N(C)Cc2cccc(-c3nn[nH]n3)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826269113 947777755 /nfs/dbraw/zinc/77/77/55/947777755.db2.gz APRXMNQWPADVMP-UHFFFAOYSA-N 0 1 375.392 3.268 20 5 GGBDMN C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001575516981 949218748 /nfs/dbraw/zinc/21/87/48/949218748.db2.gz SHMJSYQTDKGGQX-JSGCOSHPSA-N 0 1 397.414 3.161 20 5 GGBDMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001575516981 949218771 /nfs/dbraw/zinc/21/87/71/949218771.db2.gz SHMJSYQTDKGGQX-JSGCOSHPSA-N 0 1 397.414 3.161 20 5 GGBDMN C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001575516983 949222276 /nfs/dbraw/zinc/22/22/76/949222276.db2.gz SHMJSYQTDKGGQX-TZMCWYRMSA-N 0 1 397.414 3.161 20 5 GGBDMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001575516983 949222294 /nfs/dbraw/zinc/22/22/94/949222294.db2.gz SHMJSYQTDKGGQX-TZMCWYRMSA-N 0 1 397.414 3.161 20 5 GGBDMN CN(C(=O)C[NH+]1CCC(c2ccccc2C(=O)[O-])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000363842380 951134870 /nfs/dbraw/zinc/13/48/70/951134870.db2.gz JNDHRLMERCLEPL-UHFFFAOYSA-N 0 1 397.431 3.135 20 5 GGBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCC[C@@H]2C(=O)[O-])cc1OC ZINC000566354202 953625635 /nfs/dbraw/zinc/62/56/35/953625635.db2.gz QHJNMHIWDMYGAC-DZGCQCFKSA-N 0 1 380.441 3.467 20 5 GGBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)cc1OC ZINC000568074577 953641959 /nfs/dbraw/zinc/64/19/59/953641959.db2.gz MQRHOYOSBFBUAL-YJYMSZOUSA-N 0 1 380.441 3.325 20 5 GGBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)cc1OC ZINC000593742468 953754885 /nfs/dbraw/zinc/75/48/85/953754885.db2.gz MTRMNEAAJXVVEJ-ZIAGYGMSSA-N 0 1 380.441 3.325 20 5 GGBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])cc1OC ZINC001589458860 954855589 /nfs/dbraw/zinc/85/55/89/954855589.db2.gz NUTWVBVXZKAWOX-DJJJIMSYSA-N 0 1 380.441 3.467 20 5 GGBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])cc1OC ZINC001589459068 954857133 /nfs/dbraw/zinc/85/71/33/954857133.db2.gz UMELVKLYTBWVIA-UMVBOHGHSA-N 0 1 380.441 3.466 20 5 GGBDMN O=C([O-])[C@H]1c2ccccc2CC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001594964256 955034018 /nfs/dbraw/zinc/03/40/18/955034018.db2.gz FJGNBTCXONCACU-GOSISDBHSA-N 0 1 379.372 3.434 20 5 GGBDMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001594964256 955034033 /nfs/dbraw/zinc/03/40/33/955034033.db2.gz FJGNBTCXONCACU-GOSISDBHSA-N 0 1 379.372 3.434 20 5 GGBDMN C[C@@]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)(C(=O)[O-])c1ccccc1 ZINC001589128237 956177629 /nfs/dbraw/zinc/17/76/29/956177629.db2.gz FPEOESUIHSJEJP-INIZCTEOSA-N 0 1 379.210 3.447 20 5 GGBDMN Cc1ccc(C[N@H+]2CCCN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])CC2)cc1 ZINC001262497837 960848627 /nfs/dbraw/zinc/84/86/27/960848627.db2.gz UUFKRPDCDBLKHT-UHFFFAOYSA-N 0 1 383.448 3.243 20 5 GGBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000518381467 974321974 /nfs/dbraw/zinc/32/19/74/974321974.db2.gz SDIHVQHOCZNCLI-GUYCJALGSA-N 0 1 384.436 3.319 20 5 GGBDMN O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000520818403 974341274 /nfs/dbraw/zinc/34/12/74/974341274.db2.gz LCFBWPIFWOLWTO-UHFFFAOYSA-N 0 1 390.827 3.054 20 5 GGBDMN O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000520818403 974341282 /nfs/dbraw/zinc/34/12/82/974341282.db2.gz LCFBWPIFWOLWTO-UHFFFAOYSA-N 0 1 390.827 3.054 20 5 GGBDMN O=C([O-])c1cnc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000563205018 974519571 /nfs/dbraw/zinc/51/95/71/974519571.db2.gz CYVIIPVIEPRXAK-GFCCVEGCSA-N 0 1 376.438 3.074 20 5 GGBDMN Cc1cc(NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565038729 974564536 /nfs/dbraw/zinc/56/45/36/974564536.db2.gz VVADOUGYAQUOTI-HNNXBMFYSA-N 0 1 399.447 3.434 20 5 GGBDMN Cc1cc(NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565038729 974564537 /nfs/dbraw/zinc/56/45/37/974564537.db2.gz VVADOUGYAQUOTI-HNNXBMFYSA-N 0 1 399.447 3.434 20 5 GGBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000566292231 974603210 /nfs/dbraw/zinc/60/32/10/974603210.db2.gz ZTMBKUHELKXCBN-GDBMZVCRSA-N 0 1 384.436 3.319 20 5 GGBDMN CCc1ccc(C[NH+]2CCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)s1 ZINC000566563166 974617161 /nfs/dbraw/zinc/61/71/61/974617161.db2.gz FFPOPUWIBFTAHP-UHFFFAOYSA-N 0 1 375.450 3.239 20 5 GGBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000568066891 974659346 /nfs/dbraw/zinc/65/93/46/974659346.db2.gz GBBHHYLJXASFHH-UHFFFAOYSA-N 0 1 380.347 3.359 20 5 GGBDMN COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000568066891 974659349 /nfs/dbraw/zinc/65/93/49/974659349.db2.gz GBBHHYLJXASFHH-UHFFFAOYSA-N 0 1 380.347 3.359 20 5 GGBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000568397864 974670387 /nfs/dbraw/zinc/67/03/87/974670387.db2.gz DPDIQOQMFQIQOO-QGZVFWFLSA-N 0 1 398.463 3.133 20 5 GGBDMN Cc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000568986932 974681510 /nfs/dbraw/zinc/68/15/10/974681510.db2.gz RSRHYJJIHYLIIF-KRWDZBQOSA-N 0 1 399.447 3.304 20 5 GGBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)n1 ZINC000577734118 974841361 /nfs/dbraw/zinc/84/13/61/974841361.db2.gz RVPSZWTXUKBZFP-OAHLLOKOSA-N 0 1 398.463 3.405 20 5 GGBDMN COc1cc(C[N@@H+]([C@H](C)C(=O)[O-])C2CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000578339739 974853039 /nfs/dbraw/zinc/85/30/39/974853039.db2.gz ONXPPSJCTKPWDR-SNVBAGLBSA-N 0 1 388.367 3.075 20 5 GGBDMN C[C@@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000582005816 974919097 /nfs/dbraw/zinc/91/90/97/974919097.db2.gz MODTYTVCKLVFGF-LBPRGKRZSA-N 0 1 375.450 3.142 20 5 GGBDMN O=C([O-])CC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H]1CCCO1 ZINC000584356500 974954456 /nfs/dbraw/zinc/95/44/56/974954456.db2.gz PPPVZSWMCNRXRW-CYBMUJFWSA-N 0 1 376.331 3.069 20 5 GGBDMN O=C([O-])c1cnc(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000592976834 974978551 /nfs/dbraw/zinc/97/85/51/974978551.db2.gz AWBLNPIWUHULJS-RYQLBKOJSA-N 0 1 396.447 3.401 20 5 GGBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1 ZINC000593741921 974986404 /nfs/dbraw/zinc/98/64/04/974986404.db2.gz SUQMHZLMUAGKQR-WSTZPKSXSA-N 0 1 382.416 3.298 20 5 GGBDMN CCOc1cc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000594733766 974991508 /nfs/dbraw/zinc/99/15/08/974991508.db2.gz DZFMSCAHFADUHK-NEPJUHHUSA-N 0 1 376.331 3.079 20 5 GGBDMN CCOc1cc(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000594733766 974991512 /nfs/dbraw/zinc/99/15/12/974991512.db2.gz DZFMSCAHFADUHK-NEPJUHHUSA-N 0 1 376.331 3.079 20 5 GGBDMN CC(C)n1cc2c(n1)[C@@H]([NH2+]Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)CCC2 ZINC001592131703 976969425 /nfs/dbraw/zinc/96/94/25/976969425.db2.gz XAALEONVOZGJKF-HNNXBMFYSA-N 0 1 388.424 3.003 20 5 GGBDMN C[C@@](CC(=O)[O-])([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])c1ccncc1 ZINC001592316668 977695216 /nfs/dbraw/zinc/69/52/16/977695216.db2.gz CSWDGHRWVVVAFU-INIZCTEOSA-N 0 1 394.225 3.232 20 5 GGBDMN C[C@@](CC(=O)[O-])([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1cccnc1 ZINC001592328293 977746018 /nfs/dbraw/zinc/74/60/18/977746018.db2.gz KOJXHXIEMRUYMM-INIZCTEOSA-N 0 1 394.225 3.232 20 5 GGBDMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844207199 979355822 /nfs/dbraw/zinc/35/58/22/979355822.db2.gz CBFRXJLHVMAJHE-NVXWUHKLSA-N 0 1 375.469 3.313 20 5 GGBDMN C[C@H](c1ccsc1)[NH+]1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844213139 979371838 /nfs/dbraw/zinc/37/18/38/979371838.db2.gz UXDDAEPKLIBGHG-CYBMUJFWSA-N 0 1 375.450 3.167 20 5 GGBDMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000901786712 980516604 /nfs/dbraw/zinc/51/66/04/980516604.db2.gz MHFNORQGVOYZCD-GFCCVEGCSA-N 0 1 397.147 3.196 20 5 GGBDMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000901786712 980516607 /nfs/dbraw/zinc/51/66/07/980516607.db2.gz MHFNORQGVOYZCD-GFCCVEGCSA-N 0 1 397.147 3.196 20 5 GGBDMN O=C([O-])[C@]1(C(F)(F)F)CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000901786713 980516735 /nfs/dbraw/zinc/51/67/35/980516735.db2.gz MHFNORQGVOYZCD-LBPRGKRZSA-N 0 1 397.147 3.196 20 5 GGBDMN O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000901786713 980516743 /nfs/dbraw/zinc/51/67/43/980516743.db2.gz MHFNORQGVOYZCD-LBPRGKRZSA-N 0 1 397.147 3.196 20 5 GGBDMN CN(c1ccccc1)c1ccc(C[N@@H+](CC(=O)[O-])C2CCOCC2)cc1[N+](=O)[O-] ZINC000901984898 980665821 /nfs/dbraw/zinc/66/58/21/980665821.db2.gz WYUUNGQBNVYLCF-UHFFFAOYSA-N 0 1 399.447 3.428 20 5 GGBDMN CO[C@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC000902031712 980703372 /nfs/dbraw/zinc/70/33/72/980703372.db2.gz LFBQMHRQBZTIOE-PXNSSMCTSA-N 0 1 399.447 3.427 20 5 GGBDMN CC[C@@H]1CCC[N@H+](C(C)(C)CNCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001595458187 981130575 /nfs/dbraw/zinc/13/05/75/981130575.db2.gz CHOLIIVKSUAFIH-OAHLLOKOSA-N 0 1 393.484 3.048 20 5 GGBDMN CC[C@@H]1CCCN(C(C)(C)C[NH2+]Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001595458187 981130577 /nfs/dbraw/zinc/13/05/77/981130577.db2.gz CHOLIIVKSUAFIH-OAHLLOKOSA-N 0 1 393.484 3.048 20 5 GGBDMN CC[C@H]1CCC[N@H+](C(C)(C)CNCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001595458185 981130733 /nfs/dbraw/zinc/13/07/33/981130733.db2.gz CHOLIIVKSUAFIH-HNNXBMFYSA-N 0 1 393.484 3.048 20 5 GGBDMN CC[C@H]1CCCN(C(C)(C)C[NH2+]Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001595458185 981130735 /nfs/dbraw/zinc/13/07/35/981130735.db2.gz CHOLIIVKSUAFIH-HNNXBMFYSA-N 0 1 393.484 3.048 20 5 GGBDMN CC[C@@](C)(C(=O)[O-])[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC1CC1 ZINC001594778208 981773870 /nfs/dbraw/zinc/77/38/70/981773870.db2.gz KYAGDJWZEYXJGV-KRWDZBQOSA-N 0 1 383.832 3.152 20 5 GGBDMN CC[C@](C)(C(=O)[O-])[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC1CC1 ZINC001594787606 981824157 /nfs/dbraw/zinc/82/41/57/981824157.db2.gz IYNWPVBVEFYALJ-LJQANCHMSA-N 0 1 377.441 3.197 20 5 GGBDMN CC[C@@](C)(C(=O)[O-])[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC1CC1 ZINC001594787605 981824334 /nfs/dbraw/zinc/82/43/34/981824334.db2.gz IYNWPVBVEFYALJ-IBGZPJMESA-N 0 1 377.441 3.197 20 5 GGBDMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910373797 981902513 /nfs/dbraw/zinc/90/25/13/981902513.db2.gz JLQRIDXAUGTUBJ-QGZVFWFLSA-N 0 1 398.463 3.345 20 5 GGBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1OC ZINC001594965358 982721620 /nfs/dbraw/zinc/72/16/20/982721620.db2.gz VKPLKLNSLBDGFM-GZBFAFLISA-N 0 1 380.441 3.181 20 5 GGBDMN CCN(CC)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001596250076 983654106 /nfs/dbraw/zinc/65/41/06/983654106.db2.gz MINLEOCBLSVGIO-INIZCTEOSA-N 0 1 393.440 3.126 20 5 GGBDMN CCN(CC)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001596250076 983654109 /nfs/dbraw/zinc/65/41/09/983654109.db2.gz MINLEOCBLSVGIO-INIZCTEOSA-N 0 1 393.440 3.126 20 5 GGBDMN CCOCCC[N@H+]1CC[C@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 ZINC001596917457 985960294 /nfs/dbraw/zinc/96/02/94/985960294.db2.gz WYLFPHURNKTHBS-LKEBIXNSSA-N 0 1 391.468 3.242 20 5 GGBDMN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC001594533131 986134608 /nfs/dbraw/zinc/13/46/08/986134608.db2.gz APACIELFIRSMTE-DOMZBBRYSA-N 0 1 393.440 3.028 20 5 GGBDMN C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC001594533135 986134837 /nfs/dbraw/zinc/13/48/37/986134837.db2.gz APACIELFIRSMTE-WFASDCNBSA-N 0 1 393.440 3.028 20 5 GGBDMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594545971 986211898 /nfs/dbraw/zinc/21/18/98/986211898.db2.gz WQDGMFRWHDTAOO-MRXNPFEDSA-N 0 1 383.448 3.389 20 5 GGBDMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001594569334 986379885 /nfs/dbraw/zinc/37/98/85/986379885.db2.gz LUBCKEDVKQICNA-MRXNPFEDSA-N 0 1 399.447 3.273 20 5 GGBDMN C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccc(C(=O)[O-])cc1 ZINC001598397642 991674089 /nfs/dbraw/zinc/67/40/89/991674089.db2.gz KUDDBTOIHHXTJJ-UHFFFAOYSA-N 0 1 377.784 3.017 20 5 GGBDMN C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccc(C(=O)[O-])cc1 ZINC001598397642 991674093 /nfs/dbraw/zinc/67/40/93/991674093.db2.gz KUDDBTOIHHXTJJ-UHFFFAOYSA-N 0 1 377.784 3.017 20 5 GGBDMN C[N@@H+](CCOc1cccc(Cl)c1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001598499225 992408977 /nfs/dbraw/zinc/40/89/77/992408977.db2.gz FLXCIPNPTORFAV-UHFFFAOYSA-N 0 1 394.811 3.222 20 5 GGBDMN C[N@@H+](CCc1ccccc1)[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001598502440 992451932 /nfs/dbraw/zinc/45/19/32/992451932.db2.gz VDMIRBAIBNSVJM-LJQANCHMSA-N 0 1 383.448 3.042 20 5 GGBDMN CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001598503807 992472490 /nfs/dbraw/zinc/47/24/90/992472490.db2.gz XKPNPFQWBCYRJT-MRXNPFEDSA-N 0 1 384.436 3.179 20 5 GGBDMN C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598508356 992534231 /nfs/dbraw/zinc/53/42/31/992534231.db2.gz DAWMRTLNMVTSAK-AWEZNQCLSA-N 0 1 376.331 3.068 20 5 GGBDMN C[NH+]1CCN(c2ccc(Nc3cc(C(=O)[O-])ccc3[N+](=O)[O-])cc2Cl)CC1 ZINC001598624647 994067149 /nfs/dbraw/zinc/06/71/49/994067149.db2.gz QNMABXDMGMAXGN-UHFFFAOYSA-N 0 1 390.827 3.442 20 5 GGBDMN COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598689754 995045784 /nfs/dbraw/zinc/04/57/84/995045784.db2.gz QIMAVDKQBRVCAK-CQSZACIVSA-N 0 1 386.404 3.104 20 5 GGBDMN COc1ccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Br)C(=O)[O-])cc1 ZINC001599531575 997663425 /nfs/dbraw/zinc/66/34/25/997663425.db2.gz OAFOTVQZLPPNFS-HNNXBMFYSA-N 0 1 395.209 3.281 20 5 GGBDMN C[C@@H]1CCC[N@@H+](CCCCNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001594382319 999440854 /nfs/dbraw/zinc/44/08/54/999440854.db2.gz AEJPRTOQZOPSKJ-GFCCVEGCSA-N 0 1 380.401 3.125 20 5 GGBDMN CN(C)[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cccs1 ZINC000027676123 207328655 /nfs/dbraw/zinc/32/86/55/207328655.db2.gz QQTAXWUHKOZJHE-KRWDZBQOSA-N 0 1 388.493 3.289 20 5 GGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000032197204 207394443 /nfs/dbraw/zinc/39/44/43/207394443.db2.gz GWBZAPLSDGAXRP-UHFFFAOYSA-N 0 1 399.838 3.083 20 5 GGBDMN COc1cc(CN2CCC[C@@H](c3ncc[nH]3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000095405692 208179971 /nfs/dbraw/zinc/17/99/71/208179971.db2.gz ZAELKFACWPDODM-LLVKDONJSA-N 0 1 382.367 3.308 20 5 GGBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000095978319 208248041 /nfs/dbraw/zinc/24/80/41/208248041.db2.gz WMPNQHVBKRGWHB-GFCCVEGCSA-N 0 1 394.391 3.453 20 5 GGBDMN CC(C)[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCCO2 ZINC000024750000 519798697 /nfs/dbraw/zinc/79/86/97/519798697.db2.gz WIGRZJOIAXMKIR-GOSISDBHSA-N 0 1 396.403 3.369 20 5 GGBDMN COc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000005127028 564213276 /nfs/dbraw/zinc/21/32/76/564213276.db2.gz OXLQKQNZNPXVKG-UHFFFAOYSA-N 0 1 386.813 3.375 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1ccc(F)cc1Br ZINC000121969888 564395685 /nfs/dbraw/zinc/39/56/85/564395685.db2.gz QXMBNJKAQBTZKD-UHFFFAOYSA-N 0 1 393.165 3.436 20 5 GGBDMN CN(Cc1ccc(Br)o1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000041382042 564431958 /nfs/dbraw/zinc/43/19/58/564431958.db2.gz DKBVBMBLFBRUCJ-UHFFFAOYSA-N 0 1 379.170 3.099 20 5 GGBDMN CN(C)Cc1ccnc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000123627620 564456753 /nfs/dbraw/zinc/45/67/53/564456753.db2.gz BRILHDXKDIUZTR-UHFFFAOYSA-N 0 1 379.214 3.066 20 5 GGBDMN COc1cc(S(=O)(=O)Nc2ccc3nc(C)sc3c2)ccc1[N+](=O)[O-] ZINC000124400190 564481450 /nfs/dbraw/zinc/48/14/50/564481450.db2.gz GREQFNHYPVYLPD-UHFFFAOYSA-N 0 1 379.419 3.322 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Sc3nncs3)cc2)cc1 ZINC000047417157 564520158 /nfs/dbraw/zinc/52/01/58/564520158.db2.gz WYJHXICVDUVBHB-UHFFFAOYSA-N 0 1 394.459 3.398 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-n3ccnc3)cc2)c(Cl)c1 ZINC000126574046 564554264 /nfs/dbraw/zinc/55/42/64/564554264.db2.gz YHUVTIFSJUHQOY-UHFFFAOYSA-N 0 1 378.797 3.235 20 5 GGBDMN Cc1c(Br)cc(C(=O)Nc2cc(CN(C)C)ccn2)cc1[N+](=O)[O-] ZINC000126702377 564558789 /nfs/dbraw/zinc/55/87/89/564558789.db2.gz SXMIXAAOKZNYQY-UHFFFAOYSA-N 0 1 393.241 3.375 20 5 GGBDMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000127119053 564574000 /nfs/dbraw/zinc/57/40/00/564574000.db2.gz XREPJCQTYJIRQN-UHFFFAOYSA-N 0 1 393.172 3.303 20 5 GGBDMN O=C(NCc1ccc(F)cc1Br)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000054263635 564602534 /nfs/dbraw/zinc/60/25/34/564602534.db2.gz IJIJJXHURQUSOJ-UHFFFAOYSA-N 0 1 393.172 3.303 20 5 GGBDMN Cc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(Br)c1 ZINC000129489389 564650216 /nfs/dbraw/zinc/65/02/16/564650216.db2.gz QTXFXZLLZMDKED-UHFFFAOYSA-N 0 1 390.190 3.001 20 5 GGBDMN CC(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000058495366 564684269 /nfs/dbraw/zinc/68/42/69/564684269.db2.gz HNBJRKRPKXZZNR-UHFFFAOYSA-N 0 1 383.813 3.316 20 5 GGBDMN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1cccc(O)c1F ZINC000131549308 564715796 /nfs/dbraw/zinc/71/57/96/564715796.db2.gz FMLDQVXHGNLLST-UHFFFAOYSA-N 0 1 391.174 3.003 20 5 GGBDMN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3CCCS3(=O)=O)o2)c(Cl)c1 ZINC000131769785 564723461 /nfs/dbraw/zinc/72/34/61/564723461.db2.gz JQJDVZNTVZMAPM-CYBMUJFWSA-N 0 1 384.841 3.175 20 5 GGBDMN COc1cccc2c1CC[C@@H]2NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000131918000 564728218 /nfs/dbraw/zinc/72/82/18/564728218.db2.gz VZTMXGRJLSIICH-ZDUSSCGKSA-N 0 1 382.825 3.223 20 5 GGBDMN O=[N+]([O-])c1cnn(CCN2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000134463742 564804594 /nfs/dbraw/zinc/80/45/94/564804594.db2.gz SXNOKGQUPGJUBI-JTQLQIEISA-N 0 1 375.376 3.146 20 5 GGBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccccc1Br ZINC000103202214 564944442 /nfs/dbraw/zinc/94/44/42/564944442.db2.gz UUOPKSRHZLHTPU-UHFFFAOYSA-N 0 1 388.181 3.395 20 5 GGBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(Br)cc1 ZINC000103202169 564944642 /nfs/dbraw/zinc/94/46/42/564944642.db2.gz FANOGJUBUXBZIR-UHFFFAOYSA-N 0 1 388.181 3.395 20 5 GGBDMN Cc1csc(Sc2ccc(C(=O)Nc3nnc(C)[nH]3)cc2[N+](=O)[O-])n1 ZINC000103253718 564945913 /nfs/dbraw/zinc/94/59/13/564945913.db2.gz DNFBZQKYXMXMDG-UHFFFAOYSA-N 0 1 376.423 3.190 20 5 GGBDMN Cc1csc(Sc2ccc(C(=O)Nc3nc(C)n[nH]3)cc2[N+](=O)[O-])n1 ZINC000103253718 564945914 /nfs/dbraw/zinc/94/59/14/564945914.db2.gz DNFBZQKYXMXMDG-UHFFFAOYSA-N 0 1 376.423 3.190 20 5 GGBDMN CN(CCc1ccc(Br)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000106861723 564990363 /nfs/dbraw/zinc/99/03/63/564990363.db2.gz CLGVTONEUJRANI-UHFFFAOYSA-N 0 1 392.253 3.131 20 5 GGBDMN CO[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1Cl ZINC000153799907 565011792 /nfs/dbraw/zinc/01/17/92/565011792.db2.gz ISOZJUKUSQEHBG-CQSZACIVSA-N 0 1 388.804 3.053 20 5 GGBDMN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc3c[nH]nc3c2)c1 ZINC000108759275 565016650 /nfs/dbraw/zinc/01/66/50/565016650.db2.gz HEQPJXWDLSSUDY-UHFFFAOYSA-N 0 1 397.210 3.034 20 5 GGBDMN C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000154397855 565036591 /nfs/dbraw/zinc/03/65/91/565036591.db2.gz VYYGYZIQERPFPD-JMCQJSRRSA-N 0 1 397.254 3.293 20 5 GGBDMN C[C@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000154397982 565037509 /nfs/dbraw/zinc/03/75/09/565037509.db2.gz VYYGYZIQERPFPD-JVXZTZIISA-N 0 1 397.254 3.293 20 5 GGBDMN C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000154398089 565037780 /nfs/dbraw/zinc/03/77/80/565037780.db2.gz VYYGYZIQERPFPD-KRTXAFLBSA-N 0 1 397.254 3.293 20 5 GGBDMN C[C@H]1[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCS1(=O)=O ZINC000294037644 565195630 /nfs/dbraw/zinc/19/56/30/565195630.db2.gz WCPGBAOYCINWNG-BONVTDFDSA-N 0 1 384.841 3.173 20 5 GGBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc([N+](=O)[O-])cc3Br)n2)o1 ZINC000160190724 565235074 /nfs/dbraw/zinc/23/50/74/565235074.db2.gz BTTOKBRGFZQJRM-UHFFFAOYSA-N 0 1 392.169 3.296 20 5 GGBDMN COc1cc(Br)cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000186101920 565239915 /nfs/dbraw/zinc/23/99/15/565239915.db2.gz QVEQGCJCWLGNMT-UHFFFAOYSA-N 0 1 387.211 3.167 20 5 GGBDMN Cc1nnc([C@@H](C)NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)s1 ZINC000295105454 565245754 /nfs/dbraw/zinc/24/57/54/565245754.db2.gz HSAOYWHXWZPXAV-RXMQYKEDSA-N 0 1 397.265 3.101 20 5 GGBDMN CC(C)n1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC000161614844 565288444 /nfs/dbraw/zinc/28/84/44/565288444.db2.gz ZUXUWTYEIBWVEJ-UHFFFAOYSA-N 0 1 378.332 3.192 20 5 GGBDMN CC[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])Cc1cccc(Br)c1 ZINC000161959923 565298578 /nfs/dbraw/zinc/29/85/78/565298578.db2.gz UPSXMQGUDHOKRI-JTQLQIEISA-N 0 1 381.230 3.079 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCSc3ccccc32)cc1 ZINC000272894264 565300574 /nfs/dbraw/zinc/30/05/74/565300574.db2.gz BHQCPBQUOVRTNJ-MRXNPFEDSA-N 0 1 378.475 3.195 20 5 GGBDMN CC(C)c1nc([C@@H](C)NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000273166479 565310809 /nfs/dbraw/zinc/31/08/09/565310809.db2.gz BYLOMEYUTFFYJY-SECBINFHSA-N 0 1 383.861 3.459 20 5 GGBDMN CCCc1[nH]nc(C(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)c1[N+](=O)[O-] ZINC000374103812 565319849 /nfs/dbraw/zinc/31/98/49/565319849.db2.gz BNOVGXMWFGBXEW-JTQLQIEISA-N 0 1 384.845 3.199 20 5 GGBDMN CCCc1[nH]nc(C(=O)N2CCO[C@@H](c3ccc(Cl)s3)C2)c1[N+](=O)[O-] ZINC000374103813 565320013 /nfs/dbraw/zinc/32/00/13/565320013.db2.gz BNOVGXMWFGBXEW-SNVBAGLBSA-N 0 1 384.845 3.199 20 5 GGBDMN O=[N+]([O-])c1ccn(CCN2CCC(c3nc(C(F)(F)F)cs3)CC2)n1 ZINC000296505432 565320463 /nfs/dbraw/zinc/32/04/63/565320463.db2.gz ZMVGNZOJRPVBNJ-UHFFFAOYSA-N 0 1 375.376 3.146 20 5 GGBDMN COc1c(F)cc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000187288958 565321555 /nfs/dbraw/zinc/32/15/55/565321555.db2.gz NPDXMSRHNOFECD-UHFFFAOYSA-N 0 1 378.740 3.336 20 5 GGBDMN Cc1cc(C2CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000273619182 565327877 /nfs/dbraw/zinc/32/78/77/565327877.db2.gz OEZHMOXLZWOKJI-UHFFFAOYSA-N 0 1 393.241 3.409 20 5 GGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1Cc2cccc(Br)c2C1 ZINC000187396556 565329703 /nfs/dbraw/zinc/32/97/03/565329703.db2.gz JCBDAVOYOPWFLF-UHFFFAOYSA-N 0 1 387.193 3.390 20 5 GGBDMN COc1c(F)cc(S(=O)(=O)Nc2cc(F)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000187569813 565341672 /nfs/dbraw/zinc/34/16/72/565341672.db2.gz RDKWQAYYASPKJH-UHFFFAOYSA-N 0 1 378.740 3.336 20 5 GGBDMN Cc1[nH]ncc1C1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000375833701 565407535 /nfs/dbraw/zinc/40/75/35/565407535.db2.gz IZKTYVHMHSLGCS-UHFFFAOYSA-N 0 1 393.241 3.409 20 5 GGBDMN O=[N+]([O-])c1ccn(C2CCN(C[C@H](O)c3ccc(Cl)cc3Cl)CC2)n1 ZINC000376477459 565439156 /nfs/dbraw/zinc/43/91/56/565439156.db2.gz LRAUJYDERWVACH-HNNXBMFYSA-N 0 1 385.251 3.469 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CCc3c(Br)cc(C)cc3C2)c1[N+](=O)[O-] ZINC000189061632 565441201 /nfs/dbraw/zinc/44/12/01/565441201.db2.gz HRHMIJILRVLTCK-UHFFFAOYSA-N 0 1 393.241 3.150 20 5 GGBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)c1 ZINC000171807331 565451601 /nfs/dbraw/zinc/45/16/01/565451601.db2.gz GJAJNWBKKQBXFW-UHFFFAOYSA-N 0 1 375.328 3.370 20 5 GGBDMN CC(C)[C@@H](CNc1cc(Br)ccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000301328208 565479478 /nfs/dbraw/zinc/47/94/78/565479478.db2.gz CJEIRAKATVHQDZ-MRXNPFEDSA-N 0 1 385.306 3.041 20 5 GGBDMN CC(C)[C@@](C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000190334940 565523175 /nfs/dbraw/zinc/52/31/75/565523175.db2.gz SRFNPOPUGMARAW-OAHLLOKOSA-N 0 1 381.230 3.382 20 5 GGBDMN COc1cc(CN2CCSC[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000190448809 565533215 /nfs/dbraw/zinc/53/32/15/565533215.db2.gz VLRLAQUAQSALKS-LLVKDONJSA-N 0 1 376.425 3.432 20 5 GGBDMN Cc1cc(N2CCC[C@@H](CN3CCOCC3)C2)c(Br)cc1[N+](=O)[O-] ZINC000302688718 565550848 /nfs/dbraw/zinc/55/08/48/565550848.db2.gz RCKMAJIEHHSVFM-AWEZNQCLSA-N 0 1 398.301 3.214 20 5 GGBDMN CCCc1[nH]nc(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)c1[N+](=O)[O-] ZINC000173733237 565580374 /nfs/dbraw/zinc/58/03/74/565580374.db2.gz WFGXQTBYZAFBGR-UHFFFAOYSA-N 0 1 377.348 3.018 20 5 GGBDMN CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279430468 565612277 /nfs/dbraw/zinc/61/22/77/565612277.db2.gz GOHFQEJHQMNQOY-UONOGXRCSA-N 0 1 380.388 3.059 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N(CCC(F)(F)F)CC(F)(F)F)c1[N+](=O)[O-] ZINC000279868007 565637286 /nfs/dbraw/zinc/63/72/86/565637286.db2.gz SSLSTIYMJDUFAL-UHFFFAOYSA-N 0 1 376.257 3.398 20 5 GGBDMN Cc1cc(C)c(S(=O)(=O)Nc2cncc(Br)c2)cc1[N+](=O)[O-] ZINC000191907177 565641501 /nfs/dbraw/zinc/64/15/01/565641501.db2.gz ARWCKPBFUWURNH-UHFFFAOYSA-N 0 1 386.227 3.170 20 5 GGBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2c2ccc(Br)s2)c1[N+](=O)[O-] ZINC000331411321 565758779 /nfs/dbraw/zinc/75/87/79/565758779.db2.gz PJJSCVLIQOXSMG-MRVPVSSYSA-N 0 1 385.243 3.428 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N2CCc3cc(Br)ccc3C2)c1[N+](=O)[O-] ZINC000332005412 565798307 /nfs/dbraw/zinc/79/83/07/565798307.db2.gz QOKDJRNTTAIVNW-UHFFFAOYSA-N 0 1 393.241 3.402 20 5 GGBDMN Cc1[nH]nc(C(=O)N2CCC(c3ccc(Br)cc3)CC2)c1[N+](=O)[O-] ZINC000282865060 565800062 /nfs/dbraw/zinc/80/00/62/565800062.db2.gz UAMPUQPRDYLFAC-UHFFFAOYSA-N 0 1 393.241 3.409 20 5 GGBDMN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCN(C2CCCCC2)CC1 ZINC000332327973 565830018 /nfs/dbraw/zinc/83/00/18/565830018.db2.gz BCVVMULGUPEXJS-UHFFFAOYSA-N 0 1 396.285 3.448 20 5 GGBDMN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCCCN2C[C@@H]1C ZINC000332524968 565842599 /nfs/dbraw/zinc/84/25/99/565842599.db2.gz BQGSTNWGXVFFHL-WCQYABFASA-N 0 1 396.285 3.365 20 5 GGBDMN Cc1c(NC(=O)N2CCN3CCCC[C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000332598537 565846062 /nfs/dbraw/zinc/84/60/62/565846062.db2.gz MNNCPHJQWONDPD-ZDUSSCGKSA-N 0 1 397.273 3.368 20 5 GGBDMN Cc1cc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])ncc1Br ZINC000177615976 565862919 /nfs/dbraw/zinc/86/29/19/565862919.db2.gz IDWRIBRNEQQCBD-UHFFFAOYSA-N 0 1 386.227 3.003 20 5 GGBDMN CCc1[nH]nc(C(=O)N(C)[C@H](C)c2ccccc2Br)c1[N+](=O)[O-] ZINC000195413270 565881516 /nfs/dbraw/zinc/88/15/16/565881516.db2.gz ZEKQLJLGLXNNIA-SECBINFHSA-N 0 1 381.230 3.476 20 5 GGBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NC1(C(F)(F)F)CCC1 ZINC000414451686 565934495 /nfs/dbraw/zinc/93/44/95/565934495.db2.gz ITUDBKQUBCLWEC-UHFFFAOYSA-N 0 1 392.277 3.377 20 5 GGBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ncccc2Br)c1C ZINC000178797755 565938208 /nfs/dbraw/zinc/93/82/08/565938208.db2.gz PGKQSRLRQWRIOH-UHFFFAOYSA-N 0 1 386.227 3.170 20 5 GGBDMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000416437686 566068605 /nfs/dbraw/zinc/06/86/05/566068605.db2.gz MXJMOEOYWFAMQZ-NSHDSACASA-N 0 1 376.240 3.277 20 5 GGBDMN C[N@@H+](CCCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000416507160 566079221 /nfs/dbraw/zinc/07/92/21/566079221.db2.gz MDRSOGPTSQPDEY-UHFFFAOYSA-N 0 1 396.296 3.054 20 5 GGBDMN C[C@H]1CS(=O)(=O)C[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000288642730 566084215 /nfs/dbraw/zinc/08/42/15/566084215.db2.gz UOXABTBPIKXRLK-ZUZCIYMTSA-N 0 1 384.841 3.031 20 5 GGBDMN CC(C)(C)c1ccncc1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000416584906 566090167 /nfs/dbraw/zinc/09/01/67/566090167.db2.gz IDQSYZRWCJFWQO-UHFFFAOYSA-N 0 1 383.857 3.419 20 5 GGBDMN O=C([N-]C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)C(F)(F)F ZINC000289365604 566119653 /nfs/dbraw/zinc/11/96/53/566119653.db2.gz AQDCONQLCSMTQS-SNVBAGLBSA-N 0 1 379.766 3.139 20 5 GGBDMN COc1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000181328658 566132274 /nfs/dbraw/zinc/13/22/74/566132274.db2.gz JAXNMECPWBSFRU-UHFFFAOYSA-N 0 1 387.211 3.167 20 5 GGBDMN CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccsc1 ZINC000265741517 566241452 /nfs/dbraw/zinc/24/14/52/566241452.db2.gz CCBBBSKIZOLITL-CQSZACIVSA-N 0 1 398.282 3.452 20 5 GGBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC1CCSCC1 ZINC000462127506 566252571 /nfs/dbraw/zinc/25/25/71/566252571.db2.gz DZIBOXZBXHRYFW-UHFFFAOYSA-N 0 1 385.294 3.323 20 5 GGBDMN O=C(NCc1ccccc1Br)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000481831730 566256267 /nfs/dbraw/zinc/25/62/67/566256267.db2.gz VXAMWXDHUOLDCZ-UHFFFAOYSA-N 0 1 375.182 3.164 20 5 GGBDMN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000509101973 566262682 /nfs/dbraw/zinc/26/26/82/566262682.db2.gz CTVKDCJLINTJJU-UHFFFAOYSA-N 0 1 376.312 3.428 20 5 GGBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000445070835 566266098 /nfs/dbraw/zinc/26/60/98/566266098.db2.gz BTXSOEWWNBBRLK-UHFFFAOYSA-N 0 1 386.861 3.090 20 5 GGBDMN Cc1noc(C)c1CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462273489 566272398 /nfs/dbraw/zinc/27/23/98/566272398.db2.gz XFFRZCZCMHOPGF-UHFFFAOYSA-N 0 1 394.236 3.027 20 5 GGBDMN CC(C)c1nc([C@@H](C)NC(=O)c2c(Br)cccc2[N+](=O)[O-])n[nH]1 ZINC000599734393 566291228 /nfs/dbraw/zinc/29/12/28/566291228.db2.gz VRBOCOJQRPHZJD-MRVPVSSYSA-N 0 1 382.218 3.090 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1ccc(OC(F)F)cc1F ZINC000509378742 566296964 /nfs/dbraw/zinc/29/69/64/566296964.db2.gz MEISOEDNAQPRLF-UHFFFAOYSA-N 0 1 380.275 3.275 20 5 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388.855 3.399 20 5 GGBDMN COc1ccc(NC(=O)CCN2CCN(c3ccccc3C)CC2)c([N+](=O)[O-])c1 ZINC000026230013 1399871410 /nfs/dbraw/zinc/87/14/10/1399871410.db2.gz RJFZZZNEJPZCIY-UHFFFAOYSA-N 0 1 398.463 3.063 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(Cc2cccs2)CC1 ZINC000026257095 1399874222 /nfs/dbraw/zinc/87/42/22/1399874222.db2.gz TZMBRLHAZQTUQN-UHFFFAOYSA-N 0 1 388.493 3.111 20 5 GGBDMN Cc1cc(OCC(=O)N2CCCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000026332642 1399879079 /nfs/dbraw/zinc/87/90/79/1399879079.db2.gz KGLUXQNBFQRCQU-UHFFFAOYSA-N 0 1 383.448 3.017 20 5 GGBDMN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2N2CCN(C)CC2)c1 ZINC000026857104 1399942498 /nfs/dbraw/zinc/94/24/98/1399942498.db2.gz VMKHCVBNUCSHJX-UHFFFAOYSA-N 0 1 386.477 3.321 20 5 GGBDMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000027333924 1400019632 /nfs/dbraw/zinc/01/96/32/1400019632.db2.gz XTSGZAYQRJEUHE-LJQANCHMSA-N 0 1 398.463 3.355 20 5 GGBDMN CNc1ccc(C(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)cc1[N+](=O)[O-] ZINC000027340515 1400021348 /nfs/dbraw/zinc/02/13/48/1400021348.db2.gz QCGQQHPPJSMASD-HXUWFJFHSA-N 0 1 398.463 3.212 20 5 GGBDMN COc1ccccc1[C@H](CNC(=O)c1ccc(C)c([N+](=O)[O-])c1)N1CCCC1 ZINC000027569770 1400058954 /nfs/dbraw/zinc/05/89/54/1400058954.db2.gz DCABCWVSPYBZSR-IBGZPJMESA-N 0 1 383.448 3.479 20 5 GGBDMN COc1ccccc1[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000055752066 1407074378 /nfs/dbraw/zinc/07/43/78/1407074378.db2.gz PGTNUTAKBAUCQC-HXUWFJFHSA-N 0 1 397.475 3.489 20 5 GGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000028064984 1400124626 /nfs/dbraw/zinc/12/46/26/1400124626.db2.gz SNPPPBZTCDPPLT-INIZCTEOSA-N 0 1 394.387 3.220 20 5 GGBDMN Cc1ccccc1CN1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000028740592 1400190992 /nfs/dbraw/zinc/19/09/92/1400190992.db2.gz XAAXXLIXPJLFPB-UHFFFAOYSA-N 0 1 394.475 3.118 20 5 GGBDMN Cc1cccc(CN2CCN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])CC2)c1 ZINC000028740563 1400191018 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JJHJSHJQWLCCOV-UHFFFAOYSA-N 0 1 378.429 3.005 20 5 GGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000056149973 1407228112 /nfs/dbraw/zinc/22/81/12/1407228112.db2.gz IAWLJKXRAPZPHQ-MRXNPFEDSA-N 0 1 380.404 3.293 20 5 GGBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000056196083 1407247532 /nfs/dbraw/zinc/24/75/32/1407247532.db2.gz WUTKOLALIBIZBK-JKSUJKDBSA-N 0 1 398.463 3.109 20 5 GGBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000056288595 1407280894 /nfs/dbraw/zinc/28/08/94/1407280894.db2.gz VHJPASIGTBOZLU-UHFFFAOYSA-N 0 1 383.364 3.430 20 5 GGBDMN C[C@@H](NC(=O)NC[C@H](C)N1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000056382871 1407316480 /nfs/dbraw/zinc/31/64/80/1407316480.db2.gz VLKFQUKAQOYHPE-JKSUJKDBSA-N 0 1 382.464 3.402 20 5 GGBDMN C[C@@H](NC(=O)NC1CCN(Cc2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000056421668 1407326571 /nfs/dbraw/zinc/32/65/71/1407326571.db2.gz AGLIFFDVKREROO-OAHLLOKOSA-N 0 1 383.452 3.015 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000043126943 1403712549 /nfs/dbraw/zinc/71/25/49/1403712549.db2.gz UXRINNDMVCJWLF-INIZCTEOSA-N 0 1 376.388 3.167 20 5 GGBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000043489931 1403772495 /nfs/dbraw/zinc/77/24/95/1403772495.db2.gz AXSSLXFYKDLWPT-UHFFFAOYSA-N 0 1 397.479 3.319 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000044857715 1404013818 /nfs/dbraw/zinc/01/38/18/1404013818.db2.gz CHYXWBMJIJLTCH-KRWDZBQOSA-N 0 1 392.433 3.262 20 5 GGBDMN O=C(NCCc1ccc(C(F)(F)F)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000045268527 1404088919 /nfs/dbraw/zinc/08/89/19/1404088919.db2.gz PYEBOSNJEUOKQA-UHFFFAOYSA-N 0 1 378.310 3.462 20 5 GGBDMN CCOc1ccc(C(=O)NC[C@@H](C)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000045498857 1404133036 /nfs/dbraw/zinc/13/30/36/1404133036.db2.gz YMNUWGUYVZACBF-OAHLLOKOSA-N 0 1 383.448 3.170 20 5 GGBDMN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)NC1CCN(Cc2ccccn2)CC1 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PAJHUQQURIMSQD-OAHLLOKOSA-N 0 1 375.469 3.074 20 5 GGBDMN CC1CCN(Cc2csc(=NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[nH]2)CC1 ZINC000048316224 1405142445 /nfs/dbraw/zinc/14/24/45/1405142445.db2.gz PRMPDRQOBWUQTR-UHFFFAOYSA-N 0 1 399.476 3.439 20 5 GGBDMN Cc1cc(C(=O)NCC(C)C)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000050534062 1405596301 /nfs/dbraw/zinc/59/63/01/1405596301.db2.gz HSDIQPHZSRALDI-UHFFFAOYSA-N 0 1 391.449 3.090 20 5 GGBDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050604230 1405611246 /nfs/dbraw/zinc/61/12/46/1405611246.db2.gz ZUVUNXAFXYBILG-UHFFFAOYSA-N 0 1 393.388 3.151 20 5 GGBDMN CCN(CCc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000051321916 1405786124 /nfs/dbraw/zinc/78/61/24/1405786124.db2.gz DZMIUDILGBZSPR-UHFFFAOYSA-N 0 1 384.436 3.056 20 5 GGBDMN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2cn[nH]c2C)cc1 ZINC000051382183 1405801242 /nfs/dbraw/zinc/80/12/42/1405801242.db2.gz IUKXPKLLEGZDMX-UHFFFAOYSA-N 0 1 382.376 3.357 20 5 GGBDMN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1 ZINC000057005049 1407497919 /nfs/dbraw/zinc/49/79/19/1407497919.db2.gz CXJFPLAJNJNZEI-UHFFFAOYSA-N 0 1 398.329 3.252 20 5 GGBDMN CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000057121505 1407525477 /nfs/dbraw/zinc/52/54/77/1407525477.db2.gz XIZVKGRUEJOZGT-CYBMUJFWSA-N 0 1 391.449 3.232 20 5 GGBDMN O=[N+]([O-])c1cccnc1Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000057151079 1407536508 /nfs/dbraw/zinc/53/65/08/1407536508.db2.gz JRDMATOSJZTGQG-UHFFFAOYSA-N 0 1 390.447 3.451 20 5 GGBDMN C[C@H](Nc1ccc(C(=O)N[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000057554829 1407647713 /nfs/dbraw/zinc/64/77/13/1407647713.db2.gz ZRJJOYQMYAAXKO-GOEBONIOSA-N 0 1 395.463 3.129 20 5 GGBDMN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@@H]3CCN(C4CC4)C3)cc2[N+](=O)[O-])C1 ZINC000057553377 1407648328 /nfs/dbraw/zinc/64/83/28/1407648328.db2.gz UYUBMOXTSOEPEE-HLLBOEOZSA-N 0 1 386.496 3.044 20 5 GGBDMN Cc1ccc(S(=O)(=O)Nc2ccccc2SC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000057784993 1407716425 /nfs/dbraw/zinc/71/64/25/1407716425.db2.gz AFTMUZZSIPZUNS-UHFFFAOYSA-N 0 1 395.462 3.478 20 5 GGBDMN O=C(CSc1nc(-c2cccnc2)n[nH]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000060530207 1407996649 /nfs/dbraw/zinc/99/66/49/1407996649.db2.gz AJOLGYFRBKLDJZ-UHFFFAOYSA-N 0 1 390.812 3.159 20 5 GGBDMN CC(C)NC(=O)CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000061556419 1408147338 /nfs/dbraw/zinc/14/73/38/1408147338.db2.gz KZECPORAKVCNOB-UHFFFAOYSA-N 0 1 393.447 3.062 20 5 GGBDMN Cc1[nH]nc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)c1[N+](=O)[O-] ZINC000064337199 1408537037 /nfs/dbraw/zinc/53/70/37/1408537037.db2.gz SCUJLCZTUMKPNR-UHFFFAOYSA-N 0 1 389.375 3.331 20 5 GGBDMN O=C(Nc1nc(-c2ccco2)n[nH]1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065308699 1408660272 /nfs/dbraw/zinc/66/02/72/1408660272.db2.gz YQTZNLATPWAGIF-UHFFFAOYSA-N 0 1 382.361 3.349 20 5 GGBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CNCc2ccccc2Cn2cncn2)c1 ZINC000065750539 1408723968 /nfs/dbraw/zinc/72/39/68/1408723968.db2.gz RXZKNBPELUMSPT-UHFFFAOYSA-N 0 1 389.362 3.126 20 5 GGBDMN CN1CCN(c2ncccc2CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000066372728 1408825263 /nfs/dbraw/zinc/82/52/63/1408825263.db2.gz KBVBAVIQOJRHBN-UHFFFAOYSA-N 0 1 395.385 3.373 20 5 GGBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000067123922 1409013905 /nfs/dbraw/zinc/01/39/05/1409013905.db2.gz STDCGJLFJQBRNR-UHFFFAOYSA-N 0 1 389.433 3.307 20 5 GGBDMN CCNC(=O)Nc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)c1 ZINC000067124314 1409014703 /nfs/dbraw/zinc/01/47/03/1409014703.db2.gz NNFWNSSSEAAKNY-UHFFFAOYSA-N 0 1 392.437 3.099 20 5 GGBDMN COc1ccccc1[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C)N1CCCC1 ZINC000067130387 1409015569 /nfs/dbraw/zinc/01/55/69/1409015569.db2.gz BTRXOWFWWSKDBD-LJQANCHMSA-N 0 1 383.448 3.479 20 5 GGBDMN COc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C)N2CCCC2)c1 ZINC000067131078 1409015770 /nfs/dbraw/zinc/01/57/70/1409015770.db2.gz 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COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000122921193 1414597527 /nfs/dbraw/zinc/59/75/27/1414597527.db2.gz KQBYYORJVHDFNH-UHFFFAOYSA-N 0 1 384.436 3.343 20 5 GGBDMN CCN(CC)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccco1 ZINC000123085133 1414637166 /nfs/dbraw/zinc/63/71/66/1414637166.db2.gz IGJDPLPRGZSYDE-HNNXBMFYSA-N 0 1 376.413 3.401 20 5 GGBDMN CCN(CC)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccco1 ZINC000123085329 1414637294 /nfs/dbraw/zinc/63/72/94/1414637294.db2.gz IGJDPLPRGZSYDE-OAHLLOKOSA-N 0 1 376.413 3.401 20 5 GGBDMN CCCc1[nH]nc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000123144106 1414653067 /nfs/dbraw/zinc/65/30/67/1414653067.db2.gz QJRPAJNTAQUTRR-GDBMZVCRSA-N 0 1 390.415 3.138 20 5 GGBDMN CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825127804 1428839848 /nfs/dbraw/zinc/83/98/48/1428839848.db2.gz OLPWBQYPYXSERX-HNNXBMFYSA-N 0 1 384.465 3.435 20 5 GGBDMN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000123696284 1414811613 /nfs/dbraw/zinc/81/16/13/1414811613.db2.gz AZWDSOKCUYLDBT-SECBINFHSA-N 0 1 390.339 3.375 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@H](Cc2ccccc2)C1 ZINC000124171889 1414899725 /nfs/dbraw/zinc/89/97/25/1414899725.db2.gz OTJZYCGCIAYOSV-NVXWUHKLSA-N 0 1 383.448 3.495 20 5 GGBDMN CCC(CC)n1ncc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1C ZINC000124424875 1414965480 /nfs/dbraw/zinc/96/54/80/1414965480.db2.gz GLHLRFHSHDKWAP-UHFFFAOYSA-N 0 1 383.412 3.498 20 5 GGBDMN COc1cc(S(=O)(=O)Nc2ccc(-c3cnco3)cc2)ccc1[N+](=O)[O-] ZINC000124644581 1415012558 /nfs/dbraw/zinc/01/25/58/1415012558.db2.gz FYXYIDDDWMHAAS-UHFFFAOYSA-N 0 1 375.362 3.059 20 5 GGBDMN COc1ccc(C[C@H](C)CN(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000124852761 1415059536 /nfs/dbraw/zinc/05/95/36/1415059536.db2.gz GCGLLLZFMPTHMA-ZDUSSCGKSA-N 0 1 382.420 3.431 20 5 GGBDMN Cc1ccc([C@@H](C)NC(=O)c2cccc(CN3CCN(C)CC3)c2)cc1[N+](=O)[O-] ZINC000177851096 1428872542 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PDOWUMYGJRHRQR-KRWDZBQOSA-N 0 1 395.415 3.414 20 5 GGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000126110683 1415360598 /nfs/dbraw/zinc/36/05/98/1415360598.db2.gz YCMOCKFNLGEBMS-UHFFFAOYSA-N 0 1 381.348 3.184 20 5 GGBDMN O=C(c1cc2ccccc2c2cccnc12)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178081356 1428973546 /nfs/dbraw/zinc/97/35/46/1428973546.db2.gz GXMMJGKOPPKCRK-QGZVFWFLSA-N 0 1 375.472 3.182 20 5 GGBDMN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(Cl)nc2)ccc1Br ZINC000127449123 1415782861 /nfs/dbraw/zinc/78/28/61/1415782861.db2.gz WBBLPYKZXLAFKF-UHFFFAOYSA-N 0 1 392.618 3.207 20 5 GGBDMN Nc1c(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000178150724 1428999952 /nfs/dbraw/zinc/99/99/52/1428999952.db2.gz GNHSVDRUUUWTGS-UHFFFAOYSA-N 0 1 388.855 3.225 20 5 GGBDMN CC[C@@H](Cc1ccccc1)N(C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000128657460 1416035319 /nfs/dbraw/zinc/03/53/19/1416035319.db2.gz UIPKHIXUDQLHND-HNNXBMFYSA-N 0 1 385.420 3.215 20 5 GGBDMN O=C(CCN1CCOC2(C1)CCCCCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000128926209 1416103256 /nfs/dbraw/zinc/10/32/56/1416103256.db2.gz WEQUKBPCBIKHEU-UHFFFAOYSA-N 0 1 379.432 3.488 20 5 GGBDMN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(F)c(F)c2)ccc1Br ZINC000129820628 1416268769 /nfs/dbraw/zinc/26/87/69/1416268769.db2.gz BWYRNLSWRITOLM-UHFFFAOYSA-N 0 1 393.165 3.436 20 5 GGBDMN O=[N+]([O-])c1cc(NS(=O)(=O)c2cc(F)cc(F)c2)ccc1Br ZINC000129820392 1416268804 /nfs/dbraw/zinc/26/88/04/1416268804.db2.gz UHNQLSWIHMDFCD-UHFFFAOYSA-N 0 1 393.165 3.436 20 5 GGBDMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820760439 1429089531 /nfs/dbraw/zinc/08/95/31/1429089531.db2.gz QTAKPXHIEVHPSO-KSSFIOAISA-N 0 1 393.451 3.097 20 5 GGBDMN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820760439 1429089535 /nfs/dbraw/zinc/08/95/35/1429089535.db2.gz QTAKPXHIEVHPSO-KSSFIOAISA-N 0 1 393.451 3.097 20 5 GGBDMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820760439 1429089540 /nfs/dbraw/zinc/08/95/40/1429089540.db2.gz QTAKPXHIEVHPSO-KSSFIOAISA-N 0 1 393.451 3.097 20 5 GGBDMN CCC[C@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178501299 1429091677 /nfs/dbraw/zinc/09/16/77/1429091677.db2.gz QTOKXCLAGLZQJC-IBGZPJMESA-N 0 1 391.493 3.476 20 5 GGBDMN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000131245887 1416529317 /nfs/dbraw/zinc/52/93/17/1416529317.db2.gz VLTCORZCVCXEOI-UHFFFAOYSA-N 0 1 376.376 3.133 20 5 GGBDMN C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCc2ccccc2C1 ZINC000131323661 1416540054 /nfs/dbraw/zinc/54/00/54/1416540054.db2.gz XKPBHANMAKQKRZ-HNNXBMFYSA-N 0 1 392.459 3.182 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)nc(C1CC1)n2C ZINC000131810820 1416626765 /nfs/dbraw/zinc/62/67/65/1416626765.db2.gz UEUKYPHLCWVMKA-UHFFFAOYSA-N 0 1 386.433 3.468 20 5 GGBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000131896194 1416644107 /nfs/dbraw/zinc/64/41/07/1416644107.db2.gz NWKKCEJNVUGDMO-OAHLLOKOSA-N 0 1 383.452 3.015 20 5 GGBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000132066786 1416686573 /nfs/dbraw/zinc/68/65/73/1416686573.db2.gz DZAPTHAQYJLBFG-MRXNPFEDSA-N 0 1 397.479 3.057 20 5 GGBDMN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC(F)F ZINC000132277717 1416727663 /nfs/dbraw/zinc/72/76/63/1416727663.db2.gz DAHXIQUBNXZACY-UHFFFAOYSA-N 0 1 376.312 3.445 20 5 GGBDMN CC(C)NS(=O)(=O)Cc1ccccc1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178640588 1429126880 /nfs/dbraw/zinc/12/68/80/1429126880.db2.gz XJLYDGDNYNFNCK-HNNXBMFYSA-N 0 1 391.493 3.273 20 5 GGBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(-c3nnco3)c2)ccc1Cl ZINC000132482818 1416770621 /nfs/dbraw/zinc/77/06/21/1416770621.db2.gz VMTYIURUXFONKV-UHFFFAOYSA-N 0 1 380.769 3.099 20 5 GGBDMN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826499945 1429121913 /nfs/dbraw/zinc/12/19/13/1429121913.db2.gz FPVRUOIUSYHCQJ-FUHWJXTLSA-N 0 1 378.436 3.276 20 5 GGBDMN O=c1ccc([N+](=O)[O-])cn1CCN(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000132553204 1416783879 /nfs/dbraw/zinc/78/38/79/1416783879.db2.gz DCIJXBNTKIJYEA-IBGZPJMESA-N 0 1 399.472 3.054 20 5 GGBDMN CC(C)N(C)S(=O)(=O)c1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178650112 1429129233 /nfs/dbraw/zinc/12/92/33/1429129233.db2.gz CDAMQDROGYPCNJ-HNNXBMFYSA-N 0 1 391.493 3.475 20 5 GGBDMN COc1cc(OC)cc(N2CC[C@@H](N[C@@H](C)c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000178661415 1429131640 /nfs/dbraw/zinc/13/16/40/1429131640.db2.gz PXJOEXIBOYRXKK-ORAYPTAESA-N 0 1 385.420 3.068 20 5 GGBDMN COc1cc(OC)cc(N2CC[C@H](N[C@H](C)c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000178661450 1429131682 /nfs/dbraw/zinc/13/16/82/1429131682.db2.gz PXJOEXIBOYRXKK-YJYMSZOUSA-N 0 1 385.420 3.068 20 5 GGBDMN COc1ccc([C@H](NCCn2cc([N+](=O)[O-])ccc2=O)c2ccc(F)cc2)cc1 ZINC000132967350 1416836806 /nfs/dbraw/zinc/83/68/06/1416836806.db2.gz YZLISBRSPKYTTI-OAQYLSRUSA-N 0 1 397.406 3.283 20 5 GGBDMN CCOC(=O)c1ccnc(NC[C@H](c2ccco2)N2CCCCC2)c1[N+](=O)[O-] ZINC000133137376 1416855719 /nfs/dbraw/zinc/85/57/19/1416855719.db2.gz IIIFJUXKOCZWPR-OAHLLOKOSA-N 0 1 388.424 3.399 20 5 GGBDMN O=C(Cc1ccc([N+](=O)[O-])cc1F)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000133254602 1416871043 /nfs/dbraw/zinc/87/10/43/1416871043.db2.gz PQTINLRKNXGCDM-UHFFFAOYSA-N 0 1 389.402 3.196 20 5 GGBDMN COc1cc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1S(C)(=O)=O ZINC000178685283 1429140764 /nfs/dbraw/zinc/14/07/64/1429140764.db2.gz KXOOCGGAJKDDSR-STQMWFEESA-N 0 1 378.450 3.419 20 5 GGBDMN COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)N2CCCC2)cc1 ZINC000133402695 1416886371 /nfs/dbraw/zinc/88/63/71/1416886371.db2.gz IPYSGPKJQYLDJJ-LJQANCHMSA-N 0 1 399.447 3.179 20 5 GGBDMN CC[C@@H](N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000178671113 1429134873 /nfs/dbraw/zinc/13/48/73/1429134873.db2.gz XUYXUCACUYRHPJ-WOJBJXKFSA-N 0 1 399.447 3.458 20 5 GGBDMN Cc1ccc([C@@H](C)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1[N+](=O)[O-] ZINC000178687412 1429141874 /nfs/dbraw/zinc/14/18/74/1429141874.db2.gz SFXWYWNYPUGJQT-DYVFJYSZSA-N 0 1 384.392 3.268 20 5 GGBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NC(=O)Nc2ccccc2F)cc1[N+](=O)[O-] ZINC000178688113 1429142006 /nfs/dbraw/zinc/14/20/06/1429142006.db2.gz GJZBBYZFPLJJGE-OLZOCXBDSA-N 0 1 388.399 3.430 20 5 GGBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)NC(=O)Nc2ccccc2F)cc1[N+](=O)[O-] ZINC000178688132 1429142041 /nfs/dbraw/zinc/14/20/41/1429142041.db2.gz GJZBBYZFPLJJGE-STQMWFEESA-N 0 1 388.399 3.430 20 5 GGBDMN Cc1c([C@H](C)NCc2ccc(S(=O)(=O)N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000133847535 1416977739 /nfs/dbraw/zinc/97/77/39/1416977739.db2.gz HDPDZSJLCUGMRL-AWEZNQCLSA-N 0 1 377.466 3.004 20 5 GGBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)NC(=O)Nc2ccccc2F)cc1[N+](=O)[O-] ZINC000178688155 1429142165 /nfs/dbraw/zinc/14/21/65/1429142165.db2.gz GJZBBYZFPLJJGE-QWHCGFSZSA-N 0 1 388.399 3.430 20 5 GGBDMN Cc1c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cnn1C1CCCC1 ZINC000133884364 1416988198 /nfs/dbraw/zinc/98/81/98/1416988198.db2.gz KUWFJPRUBGSTRJ-UHFFFAOYSA-N 0 1 381.396 3.252 20 5 GGBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)cc1 ZINC000134277139 1417048797 /nfs/dbraw/zinc/04/87/97/1417048797.db2.gz WEZIUOJEFCZLOX-UHFFFAOYSA-N 0 1 389.375 3.126 20 5 GGBDMN COc1cccc([C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)N(C)C)c1 ZINC000134520923 1417080815 /nfs/dbraw/zinc/08/08/15/1417080815.db2.gz DDOVUQVJSDCLBL-KRWDZBQOSA-N 0 1 377.828 3.290 20 5 GGBDMN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CCCC2)CC1 ZINC000135056371 1417167875 /nfs/dbraw/zinc/16/78/75/1417167875.db2.gz SWGCIGMQTOQVLM-UHFFFAOYSA-N 0 1 393.509 3.034 20 5 GGBDMN O=C(c1cc(C2CCCCC2)[nH]n1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000135116489 1417173605 /nfs/dbraw/zinc/17/36/05/1417173605.db2.gz UBFJLEFZDVYJOD-CQSZACIVSA-N 0 1 384.440 3.087 20 5 GGBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(SC(F)F)nc1 ZINC000135247330 1417195584 /nfs/dbraw/zinc/19/55/84/1417195584.db2.gz GFPWSNUABAEPAP-UHFFFAOYSA-N 0 1 375.378 3.414 20 5 GGBDMN Cc1ccc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)cc1[N+](=O)[O-] ZINC000135610710 1417246459 /nfs/dbraw/zinc/24/64/59/1417246459.db2.gz VYQDAVUOLUESEW-UHFFFAOYSA-N 0 1 397.412 3.447 20 5 GGBDMN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)C[C@@H]1CCOC1 ZINC000178786093 1429169714 /nfs/dbraw/zinc/16/97/14/1429169714.db2.gz SWHXPWKIBKATQY-OLZOCXBDSA-N 0 1 390.465 3.014 20 5 GGBDMN Cc1c(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)cccc1[N+](=O)[O-] ZINC000135678057 1417256482 /nfs/dbraw/zinc/25/64/82/1417256482.db2.gz UKZYHFSFHCOTBH-UHFFFAOYSA-N 0 1 397.412 3.447 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1ccc([S@](C)=O)cc1 ZINC000178798447 1429174024 /nfs/dbraw/zinc/17/40/24/1429174024.db2.gz RTZNXTJCFPHLCZ-MHZLTWQESA-N 0 1 389.477 3.101 20 5 GGBDMN CCOc1ccccc1NC(=O)CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000136584686 1417329309 /nfs/dbraw/zinc/32/93/09/1417329309.db2.gz CSUHSWOIQXCJNW-UHFFFAOYSA-N 0 1 398.463 3.144 20 5 GGBDMN COc1ccccc1CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000136932788 1417356207 /nfs/dbraw/zinc/35/62/07/1417356207.db2.gz YDSFJLPYPDKWKZ-PMACEKPBSA-N 0 1 386.448 3.318 20 5 GGBDMN COc1cc([C@@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000136958571 1417357674 /nfs/dbraw/zinc/35/76/74/1417357674.db2.gz AHNJHJKTTQXEAD-CYBMUJFWSA-N 0 1 396.403 3.397 20 5 GGBDMN Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3n[nH]cc3[N+](=O)[O-])c2)c1 ZINC000136956828 1417357816 /nfs/dbraw/zinc/35/78/16/1417357816.db2.gz AAEQLVRDSGLITH-UHFFFAOYSA-N 0 1 394.391 3.200 20 5 GGBDMN Cc1c(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000137489349 1417388953 /nfs/dbraw/zinc/38/89/53/1417388953.db2.gz DNGHZHKWZXMBSV-XJKSGUPXSA-N 0 1 398.419 3.204 20 5 GGBDMN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000141505783 1417542103 /nfs/dbraw/zinc/54/21/03/1417542103.db2.gz UFFVOLMWQPJMBT-QGZVFWFLSA-N 0 1 382.376 3.340 20 5 GGBDMN C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000146887828 1417734238 /nfs/dbraw/zinc/73/42/38/1417734238.db2.gz UHGZIAAJKKIMQF-SECBINFHSA-N 0 1 385.785 3.196 20 5 GGBDMN O=C(NC[C@H](c1ccco1)N1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000151011831 1417855181 /nfs/dbraw/zinc/85/51/81/1417855181.db2.gz UVIIPKTYJNOYJQ-GOSISDBHSA-N 0 1 384.436 3.093 20 5 GGBDMN Cc1ccc([C@H](CNCc2cc(Cl)ccc2[N+](=O)[O-])N2CCOCC2)o1 ZINC000152040020 1418127775 /nfs/dbraw/zinc/12/77/75/1418127775.db2.gz HXOWOUADLXAOGV-KRWDZBQOSA-N 0 1 379.844 3.313 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000178991591 1429236456 /nfs/dbraw/zinc/23/64/56/1429236456.db2.gz SHFSGKIUZRJVJT-AWEZNQCLSA-N 0 1 399.451 3.346 20 5 GGBDMN O=[N+]([O-])c1cc(NS(=O)(=O)c2cc(F)ccc2Br)ccc1F ZINC000152153159 1418159398 /nfs/dbraw/zinc/15/93/98/1418159398.db2.gz YBAAPFVLIPZRPB-UHFFFAOYSA-N 0 1 393.165 3.436 20 5 GGBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@H](c4nc(C5CC5)n[nH]4)C3)n2)c1 ZINC000152284810 1418195286 /nfs/dbraw/zinc/19/52/86/1418195286.db2.gz GFHAOQDZLCAXSO-AWEZNQCLSA-N 0 1 395.423 3.020 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnn(CC3CC3)c2)c(C(F)(F)F)c1 ZINC000179011937 1429241791 /nfs/dbraw/zinc/24/17/91/1429241791.db2.gz MJBMDOPIOGVHLK-UHFFFAOYSA-N 0 1 390.343 3.021 20 5 GGBDMN CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435243 1429281703 /nfs/dbraw/zinc/28/17/03/1429281703.db2.gz RCCLPOMDWCUNKE-CYBMUJFWSA-N 0 1 382.424 3.367 20 5 GGBDMN COC(=O)CCn1nc(C)c(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C ZINC000179320385 1429327710 /nfs/dbraw/zinc/32/77/10/1429327710.db2.gz YWMIIFUQQKQFDL-UHFFFAOYSA-N 0 1 388.468 3.382 20 5 GGBDMN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179357940 1429342319 /nfs/dbraw/zinc/34/23/19/1429342319.db2.gz QECJXQNSSXXROF-CYBMUJFWSA-N 0 1 392.419 3.158 20 5 GGBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000179453450 1429381952 /nfs/dbraw/zinc/38/19/52/1429381952.db2.gz QXPVVRBGDCVSBZ-UHFFFAOYSA-N 0 1 391.493 3.256 20 5 GGBDMN O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179463576 1429384379 /nfs/dbraw/zinc/38/43/79/1429384379.db2.gz KREYYTHIBOCBMI-CYBMUJFWSA-N 0 1 375.450 3.004 20 5 GGBDMN O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179463587 1429384517 /nfs/dbraw/zinc/38/45/17/1429384517.db2.gz KREYYTHIBOCBMI-ZDUSSCGKSA-N 0 1 375.450 3.004 20 5 GGBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H](c4nc(C5CC5)n[nH]4)C3)n2)cc1 ZINC000179508685 1429401417 /nfs/dbraw/zinc/40/14/17/1429401417.db2.gz NHQNXSJBNLTVEV-CQSZACIVSA-N 0 1 395.423 3.020 20 5 GGBDMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179529569 1429411347 /nfs/dbraw/zinc/41/13/47/1429411347.db2.gz LDLVSIVDEKISAT-KRWDZBQOSA-N 0 1 383.448 3.285 20 5 GGBDMN C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(OC(F)F)cc1 ZINC000179607118 1429468906 /nfs/dbraw/zinc/46/89/06/1429468906.db2.gz JHTYVXACUHOXKN-LBPRGKRZSA-N 0 1 391.374 3.436 20 5 GGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000179605001 1429466939 /nfs/dbraw/zinc/46/69/39/1429466939.db2.gz FYOWPXKTWBVRCA-NSHDSACASA-N 0 1 395.362 3.494 20 5 GGBDMN O=C(CN[C@@H](CCCO)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000179728270 1429525686 /nfs/dbraw/zinc/52/56/86/1429525686.db2.gz FKCWKVLZYLKMIR-INIZCTEOSA-N 0 1 377.828 3.290 20 5 GGBDMN C[C@@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179731580 1429526935 /nfs/dbraw/zinc/52/69/35/1429526935.db2.gz QPWUQDRNNUYLBL-XCLFUZPHSA-N 0 1 397.431 3.434 20 5 GGBDMN Cn1ccnc1C(=O)c1ccc(N2CCN(C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000152436163 1422103053 /nfs/dbraw/zinc/10/30/53/1422103053.db2.gz LIAOZRSBIYYUTH-UHFFFAOYSA-N 0 1 397.479 3.014 20 5 GGBDMN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000152639344 1422183367 /nfs/dbraw/zinc/18/33/67/1422183367.db2.gz FCZJNWDYKULFOA-QMMMGPOBSA-N 0 1 375.385 3.380 20 5 GGBDMN CCOc1ccc(NC(=O)CN[C@H](CCCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000179756527 1429542006 /nfs/dbraw/zinc/54/20/06/1429542006.db2.gz XDDYTUSIKHIQBW-QGZVFWFLSA-N 0 1 387.436 3.035 20 5 GGBDMN CC(C)OCCCNC(=O)C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000153068557 1422345683 /nfs/dbraw/zinc/34/56/83/1422345683.db2.gz IOFOYRPGWHQZHP-VMPITWQZSA-N 0 1 389.496 3.251 20 5 GGBDMN CCOc1ccc([C@H](C)NCc2ccc(CS(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000153070938 1422346378 /nfs/dbraw/zinc/34/63/78/1422346378.db2.gz QZZFELXHHSRJSQ-AWEZNQCLSA-N 0 1 392.477 3.389 20 5 GGBDMN O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)Cc3cccc(F)c3)[nH]n2)c1 ZINC000153190276 1422387663 /nfs/dbraw/zinc/38/76/63/1422387663.db2.gz RPAPAQMESBQCFZ-UHFFFAOYSA-N 0 1 376.369 3.066 20 5 GGBDMN O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)Cc3cccc(F)c3)n[nH]2)c1 ZINC000153190276 1422387669 /nfs/dbraw/zinc/38/76/69/1422387669.db2.gz RPAPAQMESBQCFZ-UHFFFAOYSA-N 0 1 376.369 3.066 20 5 GGBDMN COc1cc(CN2CCC[C@H](c3nnc4ccccn43)C2)c([N+](=O)[O-])cc1OC ZINC000179778255 1429556421 /nfs/dbraw/zinc/55/64/21/1429556421.db2.gz IJVSUNBSZAWHII-AWEZNQCLSA-N 0 1 397.435 3.034 20 5 GGBDMN C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179772311 1429552292 /nfs/dbraw/zinc/55/22/92/1429552292.db2.gz CZXVEYJZBSAQJI-CQSZACIVSA-N 0 1 396.447 3.257 20 5 GGBDMN CN(C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000153600346 1422640441 /nfs/dbraw/zinc/64/04/41/1422640441.db2.gz AJRRIWANIZNPAY-LBPRGKRZSA-N 0 1 391.415 3.258 20 5 GGBDMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000153670376 1422695170 /nfs/dbraw/zinc/69/51/70/1422695170.db2.gz CXPSTYABLIROFF-IBGZPJMESA-N 0 1 398.463 3.483 20 5 GGBDMN CN(CC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1)C(=O)OC(C)(C)C ZINC000153993762 1422822484 /nfs/dbraw/zinc/82/24/84/1422822484.db2.gz DFTUZPSTVLMWLF-SFHVURJKSA-N 0 1 393.484 3.207 20 5 GGBDMN Cc1ccc(C[NH+](C)C)cc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000154021826 1422827269 /nfs/dbraw/zinc/82/72/69/1422827269.db2.gz BUMYCRVFYHZYAN-UHFFFAOYSA-N 0 1 377.466 3.382 20 5 GGBDMN Cc1ccc(C[NH+](C)C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000154045936 1422831005 /nfs/dbraw/zinc/83/10/05/1422831005.db2.gz GCDZJVXQJSQDEV-UHFFFAOYSA-N 0 1 377.466 3.382 20 5 GGBDMN Cc1nnc(-c2ccccc2NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)o1 ZINC000154267038 1422864238 /nfs/dbraw/zinc/86/42/38/1422864238.db2.gz OCESCRFICIGUMV-UHFFFAOYSA-N 0 1 392.368 3.202 20 5 GGBDMN C[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000154399808 1422883786 /nfs/dbraw/zinc/88/37/86/1422883786.db2.gz CZPSRBNIJAPAGA-OLMNPRSZSA-N 0 1 393.484 3.253 20 5 GGBDMN Cn1cc(CN2CCN(Cc3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000154479202 1422894190 /nfs/dbraw/zinc/89/41/90/1422894190.db2.gz LAQKLSAOCRRRHJ-UHFFFAOYSA-N 0 1 391.475 3.313 20 5 GGBDMN CC(C)Oc1cc(CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C2CC2)ccn1 ZINC000154483557 1422895116 /nfs/dbraw/zinc/89/51/16/1422895116.db2.gz AMDIAFPSTOLKMK-UHFFFAOYSA-N 0 1 395.419 3.458 20 5 GGBDMN CCOc1cc(C(=O)N2CCN(C3CCCCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000154629329 1422972463 /nfs/dbraw/zinc/97/24/63/1422972463.db2.gz SDOVCKNYHKQBHW-UHFFFAOYSA-N 0 1 391.468 3.093 20 5 GGBDMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154640291 1422978372 /nfs/dbraw/zinc/97/83/72/1422978372.db2.gz VAPLUXGFNXAAAA-LESCRADOSA-N 0 1 393.484 3.253 20 5 GGBDMN COc1cc(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000179841048 1429605349 /nfs/dbraw/zinc/60/53/49/1429605349.db2.gz MMIOFNORSWCTPV-OAHLLOKOSA-N 0 1 399.447 3.463 20 5 GGBDMN COc1cc(OCC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000179853442 1429610200 /nfs/dbraw/zinc/61/02/00/1429610200.db2.gz LCLBWDQZIZGMHU-UHFFFAOYSA-N 0 1 392.318 3.435 20 5 GGBDMN COC(=O)c1cc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc([N+](=O)[O-])c1 ZINC000179856730 1429612338 /nfs/dbraw/zinc/61/23/38/1429612338.db2.gz PGJKTYPJIMSPFD-UHFFFAOYSA-N 0 1 390.302 3.448 20 5 GGBDMN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 ZINC000155109029 1423170527 /nfs/dbraw/zinc/17/05/27/1423170527.db2.gz MAVRBYLEWCLRGJ-AWEZNQCLSA-N 0 1 382.420 3.011 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1CN1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826499460 1423396100 /nfs/dbraw/zinc/39/61/00/1423396100.db2.gz JJFJAOJUNIBLIY-UHFFFAOYSA-N 0 1 380.383 3.203 20 5 GGBDMN COC(=O)c1cccc2nc(NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)[nH]c21 ZINC000179915469 1429638219 /nfs/dbraw/zinc/63/82/19/1429638219.db2.gz AHYMEZHDRCLAAV-UHFFFAOYSA-N 0 1 382.376 3.435 20 5 GGBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)C(C)(C)n4cc([N+](=O)[O-])cn4)C3)[nH]c2c1 ZINC000155748843 1423514772 /nfs/dbraw/zinc/51/47/72/1423514772.db2.gz ILINWAOPOVRMGV-CQSZACIVSA-N 0 1 396.451 3.117 20 5 GGBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000155894916 1423582287 /nfs/dbraw/zinc/58/22/87/1423582287.db2.gz OYEXSHVZYVXRRZ-UHFFFAOYSA-N 0 1 390.390 3.186 20 5 GGBDMN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1cccs1 ZINC000179949676 1429658758 /nfs/dbraw/zinc/65/87/58/1429658758.db2.gz KCBIQHIQYQPJQH-GFCCVEGCSA-N 0 1 385.392 3.290 20 5 GGBDMN O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000156058956 1423655311 /nfs/dbraw/zinc/65/53/11/1423655311.db2.gz RKGWAQDAGFFBHB-UGSOOPFHSA-N 0 1 380.404 3.369 20 5 GGBDMN Cc1cccc2c(CC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)c[nH]c21 ZINC000156213147 1423730041 /nfs/dbraw/zinc/73/00/41/1423730041.db2.gz FHAKABCXCNRIPS-UHFFFAOYSA-N 0 1 376.376 3.351 20 5 GGBDMN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1c(C)cc(N(C)C)cc1C ZINC000156214411 1423730733 /nfs/dbraw/zinc/73/07/33/1423730733.db2.gz LBWPJPHVUSACNN-UHFFFAOYSA-N 0 1 379.438 3.087 20 5 GGBDMN CC(=O)Nc1cc(F)c(F)cc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000157514970 1424027301 /nfs/dbraw/zinc/02/73/01/1424027301.db2.gz SPVUMKFGCUIMAY-UHFFFAOYSA-N 0 1 399.375 3.249 20 5 GGBDMN CO[C@@H]1CC[C@@H]2OCCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C1 ZINC000158292456 1424218910 /nfs/dbraw/zinc/21/89/10/1424218910.db2.gz ODBMIAQUXYWRET-KURKYZTESA-N 0 1 387.436 3.061 20 5 GGBDMN C[C@@H](c1ccsc1)N1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000158323929 1424225839 /nfs/dbraw/zinc/22/58/39/1424225839.db2.gz YDPAISZMXCCUKR-LBPRGKRZSA-N 0 1 385.449 3.052 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCO[C@@]2(CCc3ccccc32)C1 ZINC000158552020 1424287884 /nfs/dbraw/zinc/28/78/84/1424287884.db2.gz ALZGOJHKBVSTMV-QFIPXVFZSA-N 0 1 395.459 3.406 20 5 GGBDMN COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)N2CCCC2)c1 ZINC000159098183 1424416361 /nfs/dbraw/zinc/41/63/61/1424416361.db2.gz TVJAQYOCRFNTPI-IBGZPJMESA-N 0 1 399.447 3.179 20 5 GGBDMN CC(=O)Nc1ccc(C)cc1NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000180076440 1429726707 /nfs/dbraw/zinc/72/67/07/1429726707.db2.gz FXHUKBAUVOWSQA-UHFFFAOYSA-N 0 1 381.385 3.110 20 5 GGBDMN COc1ccccc1[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1C)N1CCCC1 ZINC000159550045 1424513172 /nfs/dbraw/zinc/51/31/72/1424513172.db2.gz BNCSDXLXUSHUAL-HXUWFJFHSA-N 0 1 397.475 3.408 20 5 GGBDMN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000160073062 1424570958 /nfs/dbraw/zinc/57/09/58/1424570958.db2.gz GESCKOGJDNMFAB-UHFFFAOYSA-N 0 1 379.291 3.257 20 5 GGBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)o1 ZINC000160420053 1424603021 /nfs/dbraw/zinc/60/30/21/1424603021.db2.gz RHPQLRTUGCMEMK-UHFFFAOYSA-N 0 1 382.380 3.134 20 5 GGBDMN CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000160595524 1424617188 /nfs/dbraw/zinc/61/71/88/1424617188.db2.gz HVGJIFZVALLUHJ-WBVHZDCISA-N 0 1 388.424 3.227 20 5 GGBDMN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000160595304 1424617252 /nfs/dbraw/zinc/61/72/52/1424617252.db2.gz HVGJIFZVALLUHJ-RDJZCZTQSA-N 0 1 388.424 3.227 20 5 GGBDMN C[C@@H](Nc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc1[N+](=O)[O-])c1ccccn1 ZINC000160590522 1424617416 /nfs/dbraw/zinc/61/74/16/1424617416.db2.gz GSTPOGHFUMYKJE-OIISXLGYSA-N 0 1 395.463 3.129 20 5 GGBDMN CNS(=O)(=O)c1cccc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000161447116 1424690586 /nfs/dbraw/zinc/69/05/86/1424690586.db2.gz VSWGCGOCKVKHDQ-KBPBESRZSA-N 0 1 377.466 3.223 20 5 GGBDMN COC(=O)c1cc(C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)cc([N+](=O)[O-])c1 ZINC000161500860 1424697059 /nfs/dbraw/zinc/69/70/59/1424697059.db2.gz FBSUSAMSYDBNHL-UHFFFAOYSA-N 0 1 384.348 3.234 20 5 GGBDMN C[C@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000161554199 1424709329 /nfs/dbraw/zinc/70/93/29/1424709329.db2.gz DHUUEZOXTOTWHG-KBPBESRZSA-N 0 1 377.466 3.257 20 5 GGBDMN CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000161564596 1424712635 /nfs/dbraw/zinc/71/26/35/1424712635.db2.gz GKGXWWDGBFJBJW-INIZCTEOSA-N 0 1 399.447 3.133 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccccc1OCCN1CCOCC1 ZINC000162028752 1424810104 /nfs/dbraw/zinc/81/01/04/1424810104.db2.gz LMBCUMYYBNSIGD-SFHVURJKSA-N 0 1 399.491 3.465 20 5 GGBDMN CN(C)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000162330529 1424838617 /nfs/dbraw/zinc/83/86/17/1424838617.db2.gz DJEJSGGXOFDUGA-UHFFFAOYSA-N 0 1 389.355 3.480 20 5 GGBDMN O=C(NCCN1CCc2ccccc2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000163452542 1425001781 /nfs/dbraw/zinc/00/17/81/1425001781.db2.gz JDYAMFHSYIPZLH-UHFFFAOYSA-N 0 1 394.475 3.327 20 5 GGBDMN COc1ccc(S(=O)(=O)Nc2cccnc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000164993957 1425155244 /nfs/dbraw/zinc/15/52/44/1425155244.db2.gz DPWJTHCGSWCMRS-UHFFFAOYSA-N 0 1 385.401 3.466 20 5 GGBDMN CCc1ccc([C@@H](COC)N[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000165248616 1425172529 /nfs/dbraw/zinc/17/25/29/1425172529.db2.gz SCHDFAFCXYBWTN-CXAGYDPISA-N 0 1 375.425 3.445 20 5 GGBDMN CCCN1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)c2C1 ZINC000171346000 1425628809 /nfs/dbraw/zinc/62/88/09/1425628809.db2.gz FXEVNQULLMWYEM-UHFFFAOYSA-N 0 1 375.450 3.430 20 5 GGBDMN CCc1n[nH]c(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000171397354 1425661233 /nfs/dbraw/zinc/66/12/33/1425661233.db2.gz VZUFEMYVSMCLQL-AWEZNQCLSA-N 0 1 391.497 3.145 20 5 GGBDMN CCc1n[nH]c(C(=O)NC[C@@H](c2ccccc2Cl)N(CC)CC)c1[N+](=O)[O-] ZINC000171397375 1425661298 /nfs/dbraw/zinc/66/12/98/1425661298.db2.gz KTAXZHJFFJXFGK-HNNXBMFYSA-N 0 1 393.875 3.347 20 5 GGBDMN O=C(CCC(=O)c1ccc(F)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000171484792 1425701022 /nfs/dbraw/zinc/70/10/22/1425701022.db2.gz CRTNTEBFOCAFCF-UHFFFAOYSA-N 0 1 383.339 3.121 20 5 GGBDMN CCc1[nH]nc(C(=O)N(Cc2cccnc2)Cc2ccccc2C)c1[N+](=O)[O-] ZINC000171677336 1425786642 /nfs/dbraw/zinc/78/66/42/1425786642.db2.gz OWTFSBKSRDGGCN-UHFFFAOYSA-N 0 1 379.420 3.426 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H](c1ccccc1)c1cccnc1 ZINC000171768923 1425815516 /nfs/dbraw/zinc/81/55/16/1425815516.db2.gz DRYNYBHDHBVPNX-KRWDZBQOSA-N 0 1 387.392 3.197 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC000171807802 1425825901 /nfs/dbraw/zinc/82/59/01/1425825901.db2.gz QIKWBLKSHZHOSY-ZDUSSCGKSA-N 0 1 399.234 3.401 20 5 GGBDMN CCc1[nH]nc(C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)c1[N+](=O)[O-] ZINC000171825383 1425829798 /nfs/dbraw/zinc/82/97/98/1425829798.db2.gz ZCGMLQAUGSJDPF-UHFFFAOYSA-N 0 1 386.437 3.310 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000171826678 1425830413 /nfs/dbraw/zinc/83/04/13/1425830413.db2.gz COSCIOSRJRJFIX-KRWDZBQOSA-N 0 1 392.843 3.120 20 5 GGBDMN Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)cc2)ccc1[N+](=O)[O-] ZINC000172182248 1425936608 /nfs/dbraw/zinc/93/66/08/1425936608.db2.gz VTQCRLIRRDZPMG-UHFFFAOYSA-N 0 1 375.406 3.053 20 5 GGBDMN CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000172183264 1425937475 /nfs/dbraw/zinc/93/74/75/1425937475.db2.gz SIMMHYDAKDPJHQ-ZDUSSCGKSA-N 0 1 391.449 3.232 20 5 GGBDMN CN1CCN(c2ccc(Cl)cc2NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000172684213 1426142147 /nfs/dbraw/zinc/14/21/47/1426142147.db2.gz WGIWVTGJXXOSLA-UHFFFAOYSA-N 0 1 388.855 3.181 20 5 GGBDMN COc1ccc([C@H]2CCN(Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)cc1 ZINC000172899724 1426245896 /nfs/dbraw/zinc/24/58/96/1426245896.db2.gz BMBKKYUIQDSLBC-KRWDZBQOSA-N 0 1 379.420 3.309 20 5 GGBDMN C[C@@H]1CN(Cc2ccccc2)CCN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172903333 1426249405 /nfs/dbraw/zinc/24/94/05/1426249405.db2.gz CLLVPVPIDIHZPB-QGZVFWFLSA-N 0 1 392.463 3.017 20 5 GGBDMN COc1ccccc1[C@@H](CNC(=O)c1cc(C)ccc1[N+](=O)[O-])N1CCCC1 ZINC000172953470 1426282239 /nfs/dbraw/zinc/28/22/39/1426282239.db2.gz RHFGKWVFSGUTEI-LJQANCHMSA-N 0 1 383.448 3.479 20 5 GGBDMN COc1ccccc1[C@H](CNC(=O)c1cc(C)ccc1[N+](=O)[O-])N1CCCC1 ZINC000172953466 1426282669 /nfs/dbraw/zinc/28/26/69/1426282669.db2.gz RHFGKWVFSGUTEI-IBGZPJMESA-N 0 1 383.448 3.479 20 5 GGBDMN C[C@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173121818 1426351695 /nfs/dbraw/zinc/35/16/95/1426351695.db2.gz VYYOTERUOKZPIQ-ZDUSSCGKSA-N 0 1 389.433 3.020 20 5 GGBDMN Cc1cc(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000173206629 1426394019 /nfs/dbraw/zinc/39/40/19/1426394019.db2.gz GLNUGAUZWOPSEJ-MRXNPFEDSA-N 0 1 382.464 3.222 20 5 GGBDMN CCOc1ccc([C@H](C)[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)cc1[N+](=O)[O-] ZINC000825631894 1426429667 /nfs/dbraw/zinc/42/96/67/1426429667.db2.gz IHNXUTYLSVPOEB-NSHDSACASA-N 0 1 386.387 3.164 20 5 GGBDMN C[C@@H](N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000173333028 1426514453 /nfs/dbraw/zinc/51/44/53/1426514453.db2.gz ZVMDZTYZDMRXES-ZIAGYGMSSA-N 0 1 377.466 3.257 20 5 GGBDMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000173339617 1426519273 /nfs/dbraw/zinc/51/92/73/1426519273.db2.gz RWZJQWNQYOPQQF-UHFFFAOYSA-N 0 1 399.451 3.389 20 5 GGBDMN C[C@H](NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173351699 1426528248 /nfs/dbraw/zinc/52/82/48/1426528248.db2.gz GMISJZIHWLNOIS-YWZLYKJASA-N 0 1 383.448 3.354 20 5 GGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1)[C@H](CO)C(C)C ZINC000173412942 1426596490 /nfs/dbraw/zinc/59/64/90/1426596490.db2.gz YEMLKYOGRSQTBB-HXUWFJFHSA-N 0 1 385.464 3.361 20 5 GGBDMN CC(C)CNC(=O)c1cccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000173467939 1426643276 /nfs/dbraw/zinc/64/32/76/1426643276.db2.gz DGLCYMKIRIUOSQ-GOSISDBHSA-N 0 1 397.479 3.062 20 5 GGBDMN Cc1cnc([C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C2CC2)s1 ZINC000173490551 1426662539 /nfs/dbraw/zinc/66/25/39/1426662539.db2.gz CBAFMAIMKYIGMI-ZDUSSCGKSA-N 0 1 387.870 3.443 20 5 GGBDMN CC[C@](C)(NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1nccs1 ZINC000173507035 1426676686 /nfs/dbraw/zinc/67/66/86/1426676686.db2.gz XZXLYBMPGDJSKS-KRWDZBQOSA-N 0 1 378.454 3.304 20 5 GGBDMN O=[N+]([O-])c1cnc(Nc2ccc([NH+]3CCCCCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000823651448 1426676760 /nfs/dbraw/zinc/67/67/60/1426676760.db2.gz JYHQHUWRUJSXGQ-UHFFFAOYSA-N 0 1 380.412 3.294 20 5 GGBDMN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000826499847 1426754134 /nfs/dbraw/zinc/75/41/34/1426754134.db2.gz AKRGXFUJSNYZPW-MAUKXSAKSA-N 0 1 378.436 3.276 20 5 GGBDMN O=C1[C@H](N2CC[C@H](COCc3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000173655116 1426811684 /nfs/dbraw/zinc/81/16/84/1426811684.db2.gz NWKXGVFKDMBYHM-GHTZIAJQSA-N 0 1 395.459 3.239 20 5 GGBDMN O=C(CN1CC[C@@H](COCc2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000173657071 1426812443 /nfs/dbraw/zinc/81/24/43/1426812443.db2.gz BRDAHBDBYRRFTL-GOSISDBHSA-N 0 1 395.459 3.023 20 5 GGBDMN COc1ccccc1C[C@H](C)N(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000173693126 1426822773 /nfs/dbraw/zinc/82/27/73/1426822773.db2.gz AGJVHNCOGRLGKG-HNNXBMFYSA-N 0 1 383.448 3.056 20 5 GGBDMN CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000173708568 1426828015 /nfs/dbraw/zinc/82/80/15/1426828015.db2.gz ZZWBJIXRKVXJAD-KRWDZBQOSA-N 0 1 398.419 3.240 20 5 GGBDMN COc1ccc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000173714092 1426829586 /nfs/dbraw/zinc/82/95/86/1426829586.db2.gz CGEVTKRYUGIEHQ-GOSISDBHSA-N 0 1 383.448 3.340 20 5 GGBDMN CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000173728446 1426832858 /nfs/dbraw/zinc/83/28/58/1426832858.db2.gz IESOHOJZYHGLSN-UHFFFAOYSA-N 0 1 385.327 3.219 20 5 GGBDMN C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000821581184 1426893684 /nfs/dbraw/zinc/89/36/84/1426893684.db2.gz FBPOVJGEDGADHV-MRXNPFEDSA-N 0 1 387.831 3.143 20 5 GGBDMN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000174049300 1426971012 /nfs/dbraw/zinc/97/10/12/1426971012.db2.gz FQUKJPMXEOXXFZ-IBGZPJMESA-N 0 1 396.491 3.397 20 5 GGBDMN Cc1ccc(Sc2ccc(C(=O)N(C)Cc3nnc[nH]3)cc2[N+](=O)[O-])cc1 ZINC000174158780 1427025118 /nfs/dbraw/zinc/02/51/18/1427025118.db2.gz WMBIQFPQKJQDSU-UHFFFAOYSA-N 0 1 383.433 3.445 20 5 GGBDMN C[C@H](C(=O)N1CCCCCC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174248889 1427069113 /nfs/dbraw/zinc/06/91/13/1427069113.db2.gz QNOCEPXHSKXVEK-MRXNPFEDSA-N 0 1 375.469 3.229 20 5 GGBDMN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000174271468 1427078756 /nfs/dbraw/zinc/07/87/56/1427078756.db2.gz GRSZBXWCRNHYFZ-UHFFFAOYSA-N 0 1 395.419 3.189 20 5 GGBDMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000174451796 1427161886 /nfs/dbraw/zinc/16/18/86/1427161886.db2.gz RRQVCLLTPBVFQR-UHFFFAOYSA-N 0 1 383.383 3.140 20 5 GGBDMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000174514054 1427195312 /nfs/dbraw/zinc/19/53/12/1427195312.db2.gz ZULOSSZJLNGIJC-UHFFFAOYSA-N 0 1 397.410 3.183 20 5 GGBDMN CN1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000174567040 1427228408 /nfs/dbraw/zinc/22/84/08/1427228408.db2.gz AWYGCPCKJOMZHC-UHFFFAOYSA-N 0 1 386.496 3.286 20 5 GGBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(-n2cccn2)c1 ZINC000174754644 1427349424 /nfs/dbraw/zinc/34/94/24/1427349424.db2.gz ZYFPUMAIHKVRRQ-GFCCVEGCSA-N 0 1 376.376 3.148 20 5 GGBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1nc(-c2cccc(F)c2)no1 ZINC000174755236 1427350065 /nfs/dbraw/zinc/35/00/65/1427350065.db2.gz KOFBCCUDVVDRNT-VIFPVBQESA-N 0 1 396.338 3.151 20 5 GGBDMN COc1cc(OC)cc(N2CC[C@@H](N[C@H](C)c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000174997245 1427487328 /nfs/dbraw/zinc/48/73/28/1427487328.db2.gz CPKUQPBVHAHTAI-BFUOFWGJSA-N 0 1 385.420 3.068 20 5 GGBDMN CCNC(=O)c1ccc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c(C)c1 ZINC000175006366 1427492768 /nfs/dbraw/zinc/49/27/68/1427492768.db2.gz VKTQZCCRDVSSHE-UHFFFAOYSA-N 0 1 391.449 3.071 20 5 GGBDMN CNC(=O)c1cc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)ccc1Cl ZINC000175005921 1427492946 /nfs/dbraw/zinc/49/29/46/1427492946.db2.gz PQKFSKQBUXCVDW-UHFFFAOYSA-N 0 1 397.840 3.025 20 5 GGBDMN O=C(c1c(O)cc(Cl)cc1Cl)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000175242295 1427622492 /nfs/dbraw/zinc/62/24/92/1427622492.db2.gz OGKVDGBOOQEXMW-JTQLQIEISA-N 0 1 397.218 3.329 20 5 GGBDMN Cc1csc(Sc2ccc(C(=O)N3CCNC(C)(C)C3)cc2[N+](=O)[O-])n1 ZINC000175417923 1427743645 /nfs/dbraw/zinc/74/36/45/1427743645.db2.gz WSXBDBQJEOQTTQ-UHFFFAOYSA-N 0 1 392.506 3.335 20 5 GGBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(-n2cccn2)cc1 ZINC000175434381 1427753856 /nfs/dbraw/zinc/75/38/56/1427753856.db2.gz TUHKAHZMXMOBIV-GFCCVEGCSA-N 0 1 376.376 3.148 20 5 GGBDMN Cc1cccc2nc(CCC(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)[nH]c21 ZINC000175547656 1427811153 /nfs/dbraw/zinc/81/11/53/1427811153.db2.gz FMXFAAHPMUZQHD-UHFFFAOYSA-N 0 1 393.447 3.061 20 5 GGBDMN O=C(NCC1(CN2CCOCC2)CCCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000175659341 1427847537 /nfs/dbraw/zinc/84/75/37/1427847537.db2.gz LGJLFCUNGKTLJA-UHFFFAOYSA-N 0 1 395.887 3.261 20 5 GGBDMN COc1ccccc1[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)N1CCCCC1 ZINC000176071951 1428067670 /nfs/dbraw/zinc/06/76/70/1428067670.db2.gz WXGJSKUGCHZOMJ-GOSISDBHSA-N 0 1 398.463 3.143 20 5 GGBDMN O=[N+]([O-])c1ccn(CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000176189135 1428152861 /nfs/dbraw/zinc/15/28/61/1428152861.db2.gz CZOGDUGSUBHCOD-UHFFFAOYSA-N 0 1 391.475 3.199 20 5 GGBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000176224121 1428176990 /nfs/dbraw/zinc/17/69/90/1428176990.db2.gz WDEPFOIKYHDZGK-UHFFFAOYSA-N 0 1 383.452 3.393 20 5 GGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000176248924 1428194521 /nfs/dbraw/zinc/19/45/21/1428194521.db2.gz XKDQOHTVGBUAQP-NHYWBVRUSA-N 0 1 386.433 3.261 20 5 GGBDMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000180192465 1429794479 /nfs/dbraw/zinc/79/44/79/1429794479.db2.gz OXCMYXQTSDTTFG-QGZVFWFLSA-N 0 1 399.447 3.133 20 5 GGBDMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000180192945 1429794516 /nfs/dbraw/zinc/79/45/16/1429794516.db2.gz SNRLKXMVAQPSGY-QGZVFWFLSA-N 0 1 399.447 3.133 20 5 GGBDMN C[C@H](NCC(=O)NCCOc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180392995 1429854965 /nfs/dbraw/zinc/85/49/65/1429854965.db2.gz SVJUGTRZLMSOIU-ZDUSSCGKSA-N 0 1 377.828 3.094 20 5 GGBDMN C[C@@H](NCC(=O)NCCOc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180393012 1429855016 /nfs/dbraw/zinc/85/50/16/1429855016.db2.gz SVJUGTRZLMSOIU-CYBMUJFWSA-N 0 1 377.828 3.094 20 5 GGBDMN CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180415583 1429862799 /nfs/dbraw/zinc/86/27/99/1429862799.db2.gz XZGQXFSDHCNMIR-OAHLLOKOSA-N 0 1 399.447 3.065 20 5 GGBDMN COc1ccc(Cl)cc1CNC(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180417284 1429863205 /nfs/dbraw/zinc/86/32/05/1429863205.db2.gz VJUIFJUVEVGCRD-GFCCVEGCSA-N 0 1 377.828 3.224 20 5 GGBDMN CCN(CC)C(=O)c1cccc(NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180435578 1429868764 /nfs/dbraw/zinc/86/87/64/1429868764.db2.gz XFKQSMYFKIAYRX-HNNXBMFYSA-N 0 1 398.463 3.366 20 5 GGBDMN C[C@H](NCC(=O)NCc1ccc(OC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180448395 1429871687 /nfs/dbraw/zinc/87/16/87/1429871687.db2.gz QBKYKVVYXLRQRV-LBPRGKRZSA-N 0 1 397.353 3.460 20 5 GGBDMN CC[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000180622143 1429937752 /nfs/dbraw/zinc/93/77/52/1429937752.db2.gz QQQATKPZGYKNGM-DYVFJYSZSA-N 0 1 385.420 3.434 20 5 GGBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2c1CN(C(C)C)C2 ZINC000180713584 1429994522 /nfs/dbraw/zinc/99/45/22/1429994522.db2.gz NXARQTHZLZFIOA-UHFFFAOYSA-N 0 1 375.450 3.428 20 5 GGBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000180729503 1430004464 /nfs/dbraw/zinc/00/44/64/1430004464.db2.gz JCSQNICORFDUCC-GASCZTMLSA-N 0 1 395.525 3.324 20 5 GGBDMN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)cc1 ZINC000180803331 1430049490 /nfs/dbraw/zinc/04/94/90/1430049490.db2.gz AGIKLVZEMWHNTM-OAHLLOKOSA-N 0 1 397.353 3.368 20 5 GGBDMN C[C@H]([NH2+]C(C)(C)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC000736135399 1430068266 /nfs/dbraw/zinc/06/82/66/1430068266.db2.gz XZYPYJIIHOIDBI-ZDUSSCGKSA-N 0 1 381.440 3.316 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000180885766 1430089497 /nfs/dbraw/zinc/08/94/97/1430089497.db2.gz LKHHMUUOCWMQSN-ZDUSSCGKSA-N 0 1 398.341 3.113 20 5 GGBDMN COc1ccc(CN2CC[C@@H](N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000180913416 1430108051 /nfs/dbraw/zinc/10/80/51/1430108051.db2.gz PJAWKOGFCFHSGS-HNAYVOBHSA-N 0 1 383.448 3.364 20 5 GGBDMN COc1ccc(CN2CC[C@H](N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000180913452 1430108822 /nfs/dbraw/zinc/10/88/22/1430108822.db2.gz PJAWKOGFCFHSGS-KXBFYZLASA-N 0 1 383.448 3.364 20 5 GGBDMN O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000180947447 1430129472 /nfs/dbraw/zinc/12/94/72/1430129472.db2.gz PATFKIOLBSISGV-LBPRGKRZSA-N 0 1 385.811 3.133 20 5 GGBDMN COc1cc(OC)cc(N2CC[C@H](N[C@H](C)c3cccc([N+](=O)[O-])c3C)C2=O)c1 ZINC000181209027 1430248308 /nfs/dbraw/zinc/24/83/08/1430248308.db2.gz CQJJAUJJSYLCSR-KUHUBIRLSA-N 0 1 399.447 3.377 20 5 GGBDMN COc1cc(OC)cc(N2CC[C@@H](N[C@H](C)c3cccc([N+](=O)[O-])c3C)C2=O)c1 ZINC000181208990 1430248491 /nfs/dbraw/zinc/24/84/91/1430248491.db2.gz CQJJAUJJSYLCSR-AUUYWEPGSA-N 0 1 399.447 3.377 20 5 GGBDMN CCC[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000181317292 1430271780 /nfs/dbraw/zinc/27/17/80/1430271780.db2.gz ZXRCRIKNBAMYDI-QGZVFWFLSA-N 0 1 382.464 3.304 20 5 GGBDMN O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000181323853 1430272695 /nfs/dbraw/zinc/27/26/95/1430272695.db2.gz AJVYGGMMHXFHBB-SNVBAGLBSA-N 0 1 382.220 3.370 20 5 GGBDMN O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000181323831 1430272812 /nfs/dbraw/zinc/27/28/12/1430272812.db2.gz AJVYGGMMHXFHBB-JTQLQIEISA-N 0 1 382.220 3.370 20 5 GGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181420178 1430294296 /nfs/dbraw/zinc/29/42/96/1430294296.db2.gz KATJQUKGORTFEB-OAHLLOKOSA-N 0 1 396.447 3.319 20 5 GGBDMN C[C@@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000181426545 1430295962 /nfs/dbraw/zinc/29/59/62/1430295962.db2.gz DWYDGFFTIBAHCU-LSDHHAIUSA-N 0 1 396.447 3.399 20 5 GGBDMN C[C@H](NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)c1cccc([N+](=O)[O-])c1 ZINC000181493909 1430309940 /nfs/dbraw/zinc/30/99/40/1430309940.db2.gz CICKSUMGDISIIC-WFASDCNBSA-N 0 1 384.440 3.241 20 5 GGBDMN Cc1ccc([C@H](C)NCC(=O)NCCO[C@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000181814412 1430365812 /nfs/dbraw/zinc/36/58/12/1430365812.db2.gz BJTBIOTWXUXLBJ-BXWFABGCSA-N 0 1 377.485 3.265 20 5 GGBDMN Cc1ccc([C@@H](C)NCC(=O)NCCCOC2CCCCC2)cc1[N+](=O)[O-] ZINC000181819222 1430366853 /nfs/dbraw/zinc/36/68/53/1430366853.db2.gz OCIIULAQJXQERQ-MRXNPFEDSA-N 0 1 377.485 3.409 20 5 GGBDMN Cc1ccc([C@@H](C)NCC(=O)N(C)CCOc2ccccc2F)cc1[N+](=O)[O-] ZINC000181832958 1430369343 /nfs/dbraw/zinc/36/93/43/1430369343.db2.gz YVWCMTXXUVATKT-OAHLLOKOSA-N 0 1 389.427 3.230 20 5 GGBDMN Cc1ccc(OC2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000181891419 1430378610 /nfs/dbraw/zinc/37/86/10/1430378610.db2.gz WEFQVBAMOZFFOM-KRWDZBQOSA-N 0 1 386.448 3.186 20 5 GGBDMN C[C@@H](N[C@@H](CC(N)=O)C1CCCCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000182036065 1430399571 /nfs/dbraw/zinc/39/95/71/1430399571.db2.gz DXUUJCRBJGPBLB-WBMJQRKESA-N 0 1 387.440 3.120 20 5 GGBDMN C[C@H](N[C@H](CC(N)=O)C1CCCCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000182036085 1430399618 /nfs/dbraw/zinc/39/96/18/1430399618.db2.gz DXUUJCRBJGPBLB-BLLLJJGKSA-N 0 1 387.440 3.120 20 5 GGBDMN O=[N+]([O-])c1ccc(CN2CCN(CCCOCC(F)(F)F)CC2)c(Cl)c1 ZINC000182086859 1430409007 /nfs/dbraw/zinc/40/90/07/1430409007.db2.gz KSGUBTDGGVQUAH-UHFFFAOYSA-N 0 1 395.809 3.335 20 5 GGBDMN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182108100 1430413265 /nfs/dbraw/zinc/41/32/65/1430413265.db2.gz JZKBCBFXILZMGU-HNNXBMFYSA-N 0 1 397.431 3.060 20 5 GGBDMN COc1ccc([C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000182197649 1430428399 /nfs/dbraw/zinc/42/83/99/1430428399.db2.gz OGGKBGNVCOEWCA-LJQANCHMSA-N 0 1 390.461 3.118 20 5 GGBDMN C[C@H](C(=O)NC[C@@H](c1ccco1)N1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000182289282 1430442928 /nfs/dbraw/zinc/44/29/28/1430442928.db2.gz NALQLXKPTVWZMZ-GUYCJALGSA-N 0 1 375.400 3.384 20 5 GGBDMN O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000182551022 1430489749 /nfs/dbraw/zinc/48/97/49/1430489749.db2.gz MHRBEZBPUYLIIN-DOTOQJQBSA-N 0 1 386.795 3.385 20 5 GGBDMN CC(=O)Nc1cccc([C@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000182551456 1430489906 /nfs/dbraw/zinc/48/99/06/1430489906.db2.gz DRCFGJZWNUXGPQ-NSHDSACASA-N 0 1 390.827 3.496 20 5 GGBDMN C[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)N1CCc2ccccc2C1 ZINC000182620057 1430503658 /nfs/dbraw/zinc/50/36/58/1430503658.db2.gz QIZWOTCXEOOAMI-HUUCEWRRSA-N 0 1 385.439 3.400 20 5 GGBDMN C[C@@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1nnc2ccccn21 ZINC000182671665 1430514292 /nfs/dbraw/zinc/51/42/92/1430514292.db2.gz MMPFIQGTRQGVCY-CYBMUJFWSA-N 0 1 378.392 3.186 20 5 GGBDMN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)c1nnc[nH]1 ZINC000182937509 1430576098 /nfs/dbraw/zinc/57/60/98/1430576098.db2.gz TVINYYXZZNXTKT-LLVKDONJSA-N 0 1 375.454 3.486 20 5 GGBDMN COc1cc(F)c([C@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000183466977 1430718722 /nfs/dbraw/zinc/71/87/22/1430718722.db2.gz CAIMOHVPWOWXMM-LBPRGKRZSA-N 0 1 391.399 3.431 20 5 GGBDMN COc1cc(F)c([C@@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000183466991 1430718876 /nfs/dbraw/zinc/71/88/76/1430718876.db2.gz CAIMOHVPWOWXMM-GFCCVEGCSA-N 0 1 391.399 3.431 20 5 GGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](c1nc(C)cs1)C1CC1 ZINC000183492597 1430726519 /nfs/dbraw/zinc/72/65/19/1430726519.db2.gz KYSVLXIKVIZXFX-KRWDZBQOSA-N 0 1 390.465 3.438 20 5 GGBDMN COc1cc(F)c([C@H](C)NCCC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000183506775 1430730591 /nfs/dbraw/zinc/73/05/91/1430730591.db2.gz JFNYYBPLMITEET-LBPRGKRZSA-N 0 1 391.399 3.431 20 5 GGBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](C2(C)OCCO2)C1 ZINC000183836677 1430803043 /nfs/dbraw/zinc/80/30/43/1430803043.db2.gz JULOXSZVZHAWLI-ZFWWWQNUSA-N 0 1 388.424 3.181 20 5 GGBDMN CCN(CC)[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000184130723 1430845320 /nfs/dbraw/zinc/84/53/20/1430845320.db2.gz KMPCHDYAHHFRKN-IBGZPJMESA-N 0 1 391.493 3.097 20 5 GGBDMN CC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1nc(C)cs1 ZINC000184345654 1430875696 /nfs/dbraw/zinc/87/56/96/1430875696.db2.gz FZUAAPAXORMZLA-ZDUSSCGKSA-N 0 1 378.454 3.438 20 5 GGBDMN CC[C@H](NCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000184369612 1430879360 /nfs/dbraw/zinc/87/93/60/1430879360.db2.gz OEROMPCFHDYHRZ-ZDUSSCGKSA-N 0 1 378.454 3.438 20 5 GGBDMN CC[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1nc(C)cs1 ZINC000184437743 1430887828 /nfs/dbraw/zinc/88/78/28/1430887828.db2.gz MVRANPBVOJZRGS-CYBMUJFWSA-N 0 1 378.454 3.438 20 5 GGBDMN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC000184445122 1430888600 /nfs/dbraw/zinc/88/86/00/1430888600.db2.gz WHSFGZFHLQBMIU-GXTWGEPZSA-N 0 1 379.482 3.439 20 5 GGBDMN Cc1cc2c(cc1C)[C@@H](C(=O)Nc1nc(-c3cccc([N+](=O)[O-])c3)n[nH]1)CO2 ZINC000184470909 1430891460 /nfs/dbraw/zinc/89/14/60/1430891460.db2.gz AQDBYDIBNMKKTK-HNNXBMFYSA-N 0 1 379.376 3.111 20 5 GGBDMN Cc1cc2c(cc1C)[C@H](C(=O)Nc1nc(-c3cccc([N+](=O)[O-])c3)n[nH]1)CO2 ZINC000184470927 1430891493 /nfs/dbraw/zinc/89/14/93/1430891493.db2.gz AQDBYDIBNMKKTK-OAHLLOKOSA-N 0 1 379.376 3.111 20 5 GGBDMN C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000184509372 1430896642 /nfs/dbraw/zinc/89/66/42/1430896642.db2.gz NIKFJXDOGJKWHB-STQMWFEESA-N 0 1 379.482 3.439 20 5 GGBDMN C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000184509411 1430896744 /nfs/dbraw/zinc/89/67/44/1430896744.db2.gz NIKFJXDOGJKWHB-QWHCGFSZSA-N 0 1 379.482 3.439 20 5 GGBDMN C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000184509427 1430896804 /nfs/dbraw/zinc/89/68/04/1430896804.db2.gz NIKFJXDOGJKWHB-CHWSQXEVSA-N 0 1 379.482 3.439 20 5 GGBDMN C[C@H](C(=O)NC1CCN(Cc2cccnc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184558182 1430904245 /nfs/dbraw/zinc/90/42/45/1430904245.db2.gz OYUOTDHSLFQTHT-AWEZNQCLSA-N 0 1 386.427 3.013 20 5 GGBDMN CSCC[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000184597579 1430914253 /nfs/dbraw/zinc/91/42/53/1430914253.db2.gz VXIBSOUUOWOFLH-CQSZACIVSA-N 0 1 387.465 3.100 20 5 GGBDMN C[C@@H](C(=O)NC[C@H](c1cccc(F)c1)N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000184770568 1430972111 /nfs/dbraw/zinc/97/21/11/1430972111.db2.gz WEVPDNQVSFOZLM-KZULUSFZSA-N 0 1 377.391 3.396 20 5 GGBDMN CCc1ccc([C@@H](COC)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000184854350 1431004335 /nfs/dbraw/zinc/00/43/35/1431004335.db2.gz FNNBYWIISOWZBN-QGZVFWFLSA-N 0 1 375.425 3.365 20 5 GGBDMN COc1cccc([C@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)N(C)C)c1 ZINC000184912314 1431019565 /nfs/dbraw/zinc/01/95/65/1431019565.db2.gz YQJWWTDOOKQUCY-YJYMSZOUSA-N 0 1 389.427 3.265 20 5 GGBDMN C[C@H](C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000185038400 1431046817 /nfs/dbraw/zinc/04/68/17/1431046817.db2.gz ZDKMGQHIMXNGSP-SGTLLEGYSA-N 0 1 377.391 3.396 20 5 GGBDMN COC(=O)c1cccc2nc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)[nH]c21 ZINC000185065000 1431052705 /nfs/dbraw/zinc/05/27/05/1431052705.db2.gz YCHYFZQQZNKQGO-VIFPVBQESA-N 0 1 386.339 3.139 20 5 GGBDMN CC[C@H](NCc1cccc(N2CCCS2(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000185290667 1431101335 /nfs/dbraw/zinc/10/13/35/1431101335.db2.gz YAHSEUFSRWMLOO-IBGZPJMESA-N 0 1 389.477 3.376 20 5 GGBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H](c2c(F)cccc2F)C1 ZINC000185300099 1431105062 /nfs/dbraw/zinc/10/50/62/1431105062.db2.gz HUKDUGWUJRAYCS-UONOGXRCSA-N 0 1 378.375 3.102 20 5 GGBDMN CC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000185342628 1431120565 /nfs/dbraw/zinc/12/05/65/1431120565.db2.gz UJDVJUHEVJKKND-SFTDATJTSA-N 0 1 397.475 3.106 20 5 GGBDMN Cc1c([C@@H](C)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000185351683 1431123407 /nfs/dbraw/zinc/12/34/07/1431123407.db2.gz GRCZHGVPJRXGIH-XLIONFOSSA-N 0 1 397.475 3.024 20 5 GGBDMN O=C(N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1n[nH]cc1[N+](=O)[O-] ZINC000185801876 1431239472 /nfs/dbraw/zinc/23/94/72/1431239472.db2.gz LHTPIITZARDPBL-LLVKDONJSA-N 0 1 387.396 3.388 20 5 GGBDMN CCO[C@H]1C[C@](CO)(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1(C)C ZINC000186576779 1431458730 /nfs/dbraw/zinc/45/87/30/1431458730.db2.gz JIFKJGWFGVPINE-QFBILLFUSA-N 0 1 391.493 3.374 20 5 GGBDMN CCOC(=O)C[C@@](C)(NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C ZINC000186706725 1431497106 /nfs/dbraw/zinc/49/71/06/1431497106.db2.gz HYPOQSSTWZCUJB-GOSISDBHSA-N 0 1 376.413 3.102 20 5 GGBDMN C[C@@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000186711217 1431498089 /nfs/dbraw/zinc/49/80/89/1431498089.db2.gz FVRAXUHPFXCMSG-CYBMUJFWSA-N 0 1 393.440 3.125 20 5 GGBDMN CC1(C)OCc2cc(CN3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc2O1 ZINC000186821074 1431528378 /nfs/dbraw/zinc/52/83/78/1431528378.db2.gz NSJLVLGAOUXEPY-MRXNPFEDSA-N 0 1 384.436 3.321 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)c1nc(C)c(-c2ccccc2)[nH]1 ZINC000186852101 1431540985 /nfs/dbraw/zinc/54/09/85/1431540985.db2.gz HKMMKHDOEMCGLZ-UHFFFAOYSA-N 0 1 387.417 3.276 20 5 GGBDMN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC[N@H+]1Cc1ccccc1 ZINC000186869927 1431547728 /nfs/dbraw/zinc/54/77/28/1431547728.db2.gz JWUUBQQZSKJRTG-WBVHZDCISA-N 0 1 383.448 3.426 20 5 GGBDMN C[C@@H](CN(C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1nn[nH]n1 ZINC000187270183 1431675375 /nfs/dbraw/zinc/67/53/75/1431675375.db2.gz FRHLMRZYKKOYFP-LBPRGKRZSA-N 0 1 398.448 3.135 20 5 GGBDMN CCOc1ccc2c(c1)[C@@H](NC(=O)c1n[nH]c3ccc([N+](=O)[O-])cc31)CCO2 ZINC000187535281 1431759251 /nfs/dbraw/zinc/75/92/51/1431759251.db2.gz XMLVBTHPFOBTJA-HNNXBMFYSA-N 0 1 382.376 3.123 20 5 GGBDMN O=C(NCCc1ccccc1OC(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000188035753 1431838308 /nfs/dbraw/zinc/83/83/08/1431838308.db2.gz JWGWPYWINAPLNM-UHFFFAOYSA-N 0 1 376.319 3.045 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2CC)c1[N+](=O)[O-] ZINC000188355462 1431876356 /nfs/dbraw/zinc/87/63/56/1431876356.db2.gz NDVDVPPDOCOIHH-HNNXBMFYSA-N 0 1 382.424 3.227 20 5 GGBDMN C[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CCN1 ZINC000188423389 1431883020 /nfs/dbraw/zinc/88/30/20/1431883020.db2.gz RXIFEXRJEGMGSE-CYBMUJFWSA-N 0 1 388.855 3.294 20 5 GGBDMN C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000189210025 1432064073 /nfs/dbraw/zinc/06/40/73/1432064073.db2.gz ONYBDFOLQUPIPV-HNNXBMFYSA-N 0 1 389.477 3.328 20 5 GGBDMN CCC(CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)N1CCCC1 ZINC000189630045 1432185136 /nfs/dbraw/zinc/18/51/36/1432185136.db2.gz VZRHZUNUTWOKQX-QGZVFWFLSA-N 0 1 383.514 3.311 20 5 GGBDMN CC(C)N(C)Cc1ccccc1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189680770 1432202180 /nfs/dbraw/zinc/20/21/80/1432202180.db2.gz FXBRDBFRWJORNV-UHFFFAOYSA-N 0 1 391.493 3.451 20 5 GGBDMN CC[C@](C)(O)CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000189727916 1432216996 /nfs/dbraw/zinc/21/69/96/1432216996.db2.gz PLGNHCOTFLJUPU-NRFANRHFSA-N 0 1 385.464 3.221 20 5 GGBDMN C[C@@H](CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)N(C)Cc1ccccc1 ZINC000189900607 1432267417 /nfs/dbraw/zinc/26/74/17/1432267417.db2.gz IJYKPAPYZSAIRU-HNNXBMFYSA-N 0 1 391.493 3.321 20 5 GGBDMN CN1CCC(N(c2ccccc2)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000190383606 1432371147 /nfs/dbraw/zinc/37/11/47/1432371147.db2.gz SVGCQKMVIOEQFP-UHFFFAOYSA-N 0 1 393.440 3.023 20 5 GGBDMN CCc1[nH]nc(C(=O)N(C)CCOc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000190622215 1432423480 /nfs/dbraw/zinc/42/34/80/1432423480.db2.gz SXJGYQJSCBXGJX-UHFFFAOYSA-N 0 1 386.330 3.050 20 5 GGBDMN CC[NH+](CC)Cc1ccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000191054597 1432558490 /nfs/dbraw/zinc/55/84/90/1432558490.db2.gz SLAAJIIMXLPXSJ-UHFFFAOYSA-N 0 1 393.465 3.246 20 5 GGBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000191349495 1432638449 /nfs/dbraw/zinc/63/84/49/1432638449.db2.gz GYGFBXUFBXZIDH-UHFFFAOYSA-N 0 1 396.407 3.230 20 5 GGBDMN CCn1nccc1N1CCC[C@@H](NCc2ccc(C(C)C)c([N+](=O)[O-])c2)C1=O ZINC000191641724 1432698617 /nfs/dbraw/zinc/69/86/17/1432698617.db2.gz RUCCBVGZRQSEEV-QGZVFWFLSA-N 0 1 385.468 3.220 20 5 GGBDMN CC(=O)Nc1ccc(C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191795908 1432726953 /nfs/dbraw/zinc/72/69/53/1432726953.db2.gz ZONGHWNCGNSNTK-UHFFFAOYSA-N 0 1 377.422 3.279 20 5 GGBDMN C[C@H](N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192111716 1432799905 /nfs/dbraw/zinc/79/99/05/1432799905.db2.gz WLXCBPBOGGTIJT-LIXBPZJASA-N 0 1 391.374 3.320 20 5 GGBDMN C[C@H](N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000192118068 1432800681 /nfs/dbraw/zinc/80/06/81/1432800681.db2.gz RHTLRSDHMDYPKB-FJNPEDAXSA-N 0 1 391.374 3.320 20 5 GGBDMN C[C@H](N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000192118056 1432800763 /nfs/dbraw/zinc/80/07/63/1432800763.db2.gz RHTLRSDHMDYPKB-UZCIPKQKSA-N 0 1 391.374 3.320 20 5 GGBDMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000192146545 1432807304 /nfs/dbraw/zinc/80/73/04/1432807304.db2.gz RTSGZEVKGSIBSM-QGZVFWFLSA-N 0 1 391.471 3.399 20 5 GGBDMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000192146548 1432807328 /nfs/dbraw/zinc/80/73/28/1432807328.db2.gz RTSGZEVKGSIBSM-KRWDZBQOSA-N 0 1 391.471 3.399 20 5 GGBDMN COc1ccc(NC(=O)[C@@H](C)N[C@@H]2CCCc3c(O)cccc32)c([N+](=O)[O-])c1 ZINC000192360217 1432836794 /nfs/dbraw/zinc/83/67/94/1432836794.db2.gz UNAMLOYPTJMQHN-MLGOLLRUSA-N 0 1 385.420 3.303 20 5 GGBDMN CCCc1[nH]nc(C(=O)N2CCC(O)(c3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000192572219 1432861699 /nfs/dbraw/zinc/86/16/99/1432861699.db2.gz UPACUARINQAXFP-UHFFFAOYSA-N 0 1 392.843 3.048 20 5 GGBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000192713534 1432878942 /nfs/dbraw/zinc/87/89/42/1432878942.db2.gz JGMFGZJRISLLLW-UHFFFAOYSA-N 0 1 398.444 3.239 20 5 GGBDMN CN(C)S(=O)(=O)c1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192719347 1432879536 /nfs/dbraw/zinc/87/95/36/1432879536.db2.gz SZGWBKLFSCXQNK-LJQANCHMSA-N 0 1 389.477 3.012 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000192729745 1432881392 /nfs/dbraw/zinc/88/13/92/1432881392.db2.gz XZXKKVADLIFUPS-UHFFFAOYSA-N 0 1 391.283 3.323 20 5 GGBDMN COc1cccc([C@H](CNC(=O)c2c(C)cccc2[N+](=O)[O-])N2CCCC2)c1 ZINC000192917228 1432907199 /nfs/dbraw/zinc/90/71/99/1432907199.db2.gz HKMUODJLVGZOEC-IBGZPJMESA-N 0 1 383.448 3.479 20 5 GGBDMN COc1ccccc1N1CC[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000193019027 1432923035 /nfs/dbraw/zinc/92/30/35/1432923035.db2.gz BRWNMRAYHOUIMG-MSOLQXFVSA-N 0 1 381.432 3.376 20 5 GGBDMN O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193383996 1432988545 /nfs/dbraw/zinc/98/85/45/1432988545.db2.gz NTVGLXVHEMGHMB-GOSISDBHSA-N 0 1 389.371 3.091 20 5 GGBDMN Cc1cc(N2CCC[C@H](c3nc(N(C)C)no3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000193506028 1433010873 /nfs/dbraw/zinc/01/08/73/1433010873.db2.gz FELFJHBTUFOQNU-ZDUSSCGKSA-N 0 1 382.424 3.284 20 5 GGBDMN C[C@@H]([NH2+]C1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCCC1)c1ccccc1 ZINC000193569923 1433021389 /nfs/dbraw/zinc/02/13/89/1433021389.db2.gz VKURCLDCNUALCO-CQSZACIVSA-N 0 1 384.436 3.089 20 5 GGBDMN CSc1ccc(C(=O)NC2CCN(Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000193962714 1433092924 /nfs/dbraw/zinc/09/29/24/1433092924.db2.gz LXDRUNMDPJMDOX-UHFFFAOYSA-N 0 1 386.477 3.106 20 5 GGBDMN CCCNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000194026731 1433103636 /nfs/dbraw/zinc/10/36/36/1433103636.db2.gz AOHFMCYTYXUFRY-UHFFFAOYSA-N 0 1 397.840 3.189 20 5 GGBDMN COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000194055790 1433108924 /nfs/dbraw/zinc/10/89/24/1433108924.db2.gz XORROKAXRUUPGF-KBPBESRZSA-N 0 1 385.420 3.368 20 5 GGBDMN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000194143844 1433125584 /nfs/dbraw/zinc/12/55/84/1433125584.db2.gz KRQQLPBUAYWPHG-UHFFFAOYSA-N 0 1 394.366 3.036 20 5 GGBDMN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NC3(c4nnc[nH]4)CCC3)cc2[N+](=O)[O-])C1 ZINC000194292856 1433156788 /nfs/dbraw/zinc/15/67/88/1433156788.db2.gz ALEAKRCSDWYQSH-KBPBESRZSA-N 0 1 398.467 3.004 20 5 GGBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000194399549 1433172271 /nfs/dbraw/zinc/17/22/71/1433172271.db2.gz QYPRGYWFMBWJAJ-CALCHBBNSA-N 0 1 397.475 3.442 20 5 GGBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)c1 ZINC000194644897 1433210530 /nfs/dbraw/zinc/21/05/30/1433210530.db2.gz DAIKWLZEAFEQAG-UHFFFAOYSA-N 0 1 386.389 3.323 20 5 GGBDMN CCOC(=O)[C@@]1(C(C)C)CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000194858570 1433250168 /nfs/dbraw/zinc/25/01/68/1433250168.db2.gz CRLRHOWZEZSQMN-IBGZPJMESA-N 0 1 388.424 3.056 20 5 GGBDMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000194971340 1433274789 /nfs/dbraw/zinc/27/47/89/1433274789.db2.gz NNHUBMXSBWGIKJ-MRXNPFEDSA-N 0 1 392.375 3.451 20 5 GGBDMN COc1cccc([C@H](CNC(=O)c2cccc(OC)c2[N+](=O)[O-])N2CCCC2)c1 ZINC000195321697 1433318945 /nfs/dbraw/zinc/31/89/45/1433318945.db2.gz IFNFUJWEBBLXIJ-SFHVURJKSA-N 0 1 399.447 3.179 20 5 GGBDMN COc1ccc(-c2n[nH]c(NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)n2)c(OC)c1 ZINC000206732623 1433353900 /nfs/dbraw/zinc/35/39/00/1433353900.db2.gz QCYPLWLNZWNWKM-YHYXMXQVSA-N 0 1 395.375 3.049 20 5 GGBDMN Cc1ccc(CNCc2ccccc2CS(=O)(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000236718311 1433376978 /nfs/dbraw/zinc/37/69/78/1433376978.db2.gz WYWWSVGJCAOLRJ-UHFFFAOYSA-N 0 1 391.493 3.021 20 5 GGBDMN COc1cc(CNCCn2cccn2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237207529 1433392465 /nfs/dbraw/zinc/39/24/65/1433392465.db2.gz BSBFIFOFQRHBOQ-UHFFFAOYSA-N 0 1 382.420 3.169 20 5 GGBDMN COc1cc(CNC[C@H]2CCCCO2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237275790 1433395471 /nfs/dbraw/zinc/39/54/71/1433395471.db2.gz INDSNMQSFKZUBV-GFCCVEGCSA-N 0 1 378.347 3.203 20 5 GGBDMN COc1ccc(-c2ccc(CNCCNC(=O)C(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000237287824 1433395994 /nfs/dbraw/zinc/39/59/94/1433395994.db2.gz AORCTCQKCCSWEF-UHFFFAOYSA-N 0 1 375.425 3.115 20 5 GGBDMN COc1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000237449416 1433403597 /nfs/dbraw/zinc/40/35/97/1433403597.db2.gz INVUKYITDVBXKK-UHFFFAOYSA-N 0 1 382.420 3.302 20 5 GGBDMN Cc1cccc(C)c1NC(=O)CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237634627 1433414268 /nfs/dbraw/zinc/41/42/68/1433414268.db2.gz FKMCXTMPUGWAJU-UHFFFAOYSA-N 0 1 393.447 3.340 20 5 GGBDMN O=C1[C@@H](NCc2ccc([N+](=O)[O-])cc2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000237750788 1433421363 /nfs/dbraw/zinc/42/13/63/1433421363.db2.gz FLDKQVKRKQHRNQ-INIZCTEOSA-N 0 1 395.337 3.389 20 5 GGBDMN O=C1[C@@H](N2CC[C@H](COCc3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000245449635 1433470257 /nfs/dbraw/zinc/47/02/57/1433470257.db2.gz NWKXGVFKDMBYHM-RXVVDRJESA-N 0 1 395.459 3.239 20 5 GGBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000245454036 1433470848 /nfs/dbraw/zinc/47/08/48/1433470848.db2.gz RPRCNYTYNSXJIZ-SJLPKXTDSA-N 0 1 383.448 3.461 20 5 GGBDMN Cc1ccc([C@H](C)NCC(=O)NCCO[C@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000245836762 1433524169 /nfs/dbraw/zinc/52/41/69/1433524169.db2.gz BJTBIOTWXUXLBJ-GJYPPUQNSA-N 0 1 377.485 3.265 20 5 GGBDMN CCN(C[C@H](O)c1ccc(C)cc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000245897661 1433537396 /nfs/dbraw/zinc/53/73/96/1433537396.db2.gz STILKUFTWCYCDI-PMACEKPBSA-N 0 1 383.448 3.064 20 5 GGBDMN COc1ccccc1CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000246368810 1433602139 /nfs/dbraw/zinc/60/21/39/1433602139.db2.gz YDSFJLPYPDKWKZ-WOJBJXKFSA-N 0 1 386.448 3.318 20 5 GGBDMN O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000246507253 1433622876 /nfs/dbraw/zinc/62/28/76/1433622876.db2.gz BXNUFNPGEQVOEP-PKOBYXMFSA-N 0 1 395.459 3.427 20 5 GGBDMN CO[C@@H]1CC[C@@H]2OCCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C1 ZINC000246737971 1433657807 /nfs/dbraw/zinc/65/78/07/1433657807.db2.gz ODBMIAQUXYWRET-SQNIBIBYSA-N 0 1 387.436 3.061 20 5 GGBDMN CN(C)[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000247959646 1433759104 /nfs/dbraw/zinc/75/91/04/1433759104.db2.gz DXTBPCWDIKJEJQ-MRXNPFEDSA-N 0 1 376.482 3.268 20 5 GGBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000248374854 1433789717 /nfs/dbraw/zinc/78/97/17/1433789717.db2.gz UORUJLIVLQPWPC-RTBURBONSA-N 0 1 386.448 3.016 20 5 GGBDMN CCc1nc(C)c([C@H](C)N(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000248439182 1433802826 /nfs/dbraw/zinc/80/28/26/1433802826.db2.gz CFZIDWHFRWPEKV-UONOGXRCSA-N 0 1 379.482 3.355 20 5 GGBDMN C[C@H](N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000249021883 1433832431 /nfs/dbraw/zinc/83/24/31/1433832431.db2.gz KXVNPTCWQYCVJR-PDSMFRHLSA-N 0 1 391.374 3.320 20 5 GGBDMN NC1(c2noc(-c3ccn(-c4c(Cl)cc([N+](=O)[O-])cc4Cl)n3)n2)CCC1 ZINC000261728854 1433900158 /nfs/dbraw/zinc/90/01/58/1433900158.db2.gz KARMPMPGXWCTSS-UHFFFAOYSA-N 0 1 395.206 3.475 20 5 GGBDMN Cc1nn(Cc2ccc(-c3nc(C4(N)CCCC4)no3)cc2)c(C)c1[N+](=O)[O-] ZINC000261883234 1433909531 /nfs/dbraw/zinc/90/95/31/1433909531.db2.gz WRFPOHRHLBGYAP-UHFFFAOYSA-N 0 1 382.424 3.234 20 5 GGBDMN COc1cc(C[N@H+]2CCC[C@@H]2C(=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000263382047 1434004859 /nfs/dbraw/zinc/00/48/59/1434004859.db2.gz BWOAGYDTUDXYQT-QGZVFWFLSA-N 0 1 386.404 3.231 20 5 GGBDMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000263517225 1434010766 /nfs/dbraw/zinc/01/07/66/1434010766.db2.gz PEZMSVUEWIBYEI-MRXNPFEDSA-N 0 1 387.436 3.226 20 5 GGBDMN O=C([O-])C[N@@H+](CC1CC1)C1CC(Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000263550634 1434013026 /nfs/dbraw/zinc/01/30/26/1434013026.db2.gz KNLASIOVQOUCQJ-UHFFFAOYSA-N 0 1 387.358 3.353 20 5 GGBDMN CC[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc2c(c1)OCCO2 ZINC000263666586 1434017706 /nfs/dbraw/zinc/01/77/06/1434017706.db2.gz IVKKGDABIJNUBI-KRWDZBQOSA-N 0 1 386.404 3.473 20 5 GGBDMN O=[N+]([O-])c1cc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c2c(c1)COCO2 ZINC000263731467 1434026581 /nfs/dbraw/zinc/02/65/81/1434026581.db2.gz YFVYSNNYJHBPFA-HXUWFJFHSA-N 0 1 398.415 3.473 20 5 GGBDMN COc1ccc(OC)c(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000263808220 1434036340 /nfs/dbraw/zinc/03/63/40/1434036340.db2.gz LXMXONKKSSSGMK-UHFFFAOYSA-N 0 1 382.420 3.302 20 5 GGBDMN Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cccc1[N+](=O)[O-] ZINC000263986259 1434057733 /nfs/dbraw/zinc/05/77/33/1434057733.db2.gz ICWZLMMGORSLSL-KBPBESRZSA-N 0 1 396.447 3.100 20 5 GGBDMN Cc1c(NC(=O)[C@H](C)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)cccc1[N+](=O)[O-] ZINC000263986262 1434057763 /nfs/dbraw/zinc/05/77/63/1434057763.db2.gz ICWZLMMGORSLSL-KGLIPLIRSA-N 0 1 396.447 3.100 20 5 GGBDMN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccsc2)N(C)C)cc1SC ZINC000264071418 1434068981 /nfs/dbraw/zinc/06/89/81/1434068981.db2.gz DYIAOICJOKEPLL-CQSZACIVSA-N 0 1 395.506 3.420 20 5 GGBDMN COc1ccc2c(c1)C(=O)N(C1CC1)[C@H](c1cc(OC)c(O)c([N+](=O)[O-])c1)N2 ZINC000264443175 1434113473 /nfs/dbraw/zinc/11/34/73/1434113473.db2.gz RAVHRNQLOCBREK-GOSISDBHSA-N 0 1 385.376 3.047 20 5 GGBDMN CC(C)(C(=O)NC1CCN(Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000265801177 1434266402 /nfs/dbraw/zinc/26/64/02/1434266402.db2.gz NKBNRSPQDUIWCA-UHFFFAOYSA-N 0 1 382.464 3.048 20 5 GGBDMN COc1ccc(OCCN2CCC(OC[C@@H]3CCCCO3)CC2)c([N+](=O)[O-])c1 ZINC000267339339 1434424002 /nfs/dbraw/zinc/42/40/02/1434424002.db2.gz BYKKENOEMMNHDA-SFHVURJKSA-N 0 1 394.468 3.032 20 5 GGBDMN CN(C)Cc1ccsc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000268074704 1434492993 /nfs/dbraw/zinc/49/29/93/1434492993.db2.gz DRYIIYXWNDKJTG-UHFFFAOYSA-N 0 1 389.477 3.402 20 5 GGBDMN Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000268372059 1434516616 /nfs/dbraw/zinc/51/66/16/1434516616.db2.gz PAVYKTXLPNSRQJ-GFCCVEGCSA-N 0 1 394.863 3.418 20 5 GGBDMN Cc1ccc([C@@H](C)NCc2cccc(C(=O)N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000268812625 1434560146 /nfs/dbraw/zinc/56/01/46/1434560146.db2.gz OQRUVUGJXDOTEF-MRXNPFEDSA-N 0 1 383.448 3.226 20 5 GGBDMN CC(=O)N1CCN(c2ccccc2CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000268897546 1434568784 /nfs/dbraw/zinc/56/87/84/1434568784.db2.gz ZIYXZGOEEMKGOU-QGZVFWFLSA-N 0 1 396.491 3.423 20 5 GGBDMN Cc1[nH]nc(C(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)c1[N+](=O)[O-] ZINC000269131512 1434595690 /nfs/dbraw/zinc/59/56/90/1434595690.db2.gz INCFNBRLZZVAQW-UHFFFAOYSA-N 0 1 377.404 3.493 20 5 GGBDMN CCCc1[nH]nc(C(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)c1[N+](=O)[O-] ZINC000269163878 1434599984 /nfs/dbraw/zinc/59/99/84/1434599984.db2.gz ZEUUINICTTXLFS-YPMHNXCESA-N 0 1 378.454 3.060 20 5 GGBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)c1[N+](=O)[O-] ZINC000269163877 1434600111 /nfs/dbraw/zinc/60/01/11/1434600111.db2.gz ZEUUINICTTXLFS-WCQYABFASA-N 0 1 378.454 3.060 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)C)c1[N+](=O)[O-] ZINC000269342779 1434628129 /nfs/dbraw/zinc/62/81/29/1434628129.db2.gz DKLDZPFZNWMBIF-UHFFFAOYSA-N 0 1 391.403 3.070 20 5 GGBDMN Cc1cc(C)c(NC(=O)CN(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c(C)c1 ZINC000269369090 1434632385 /nfs/dbraw/zinc/63/23/85/1434632385.db2.gz LOODCSMSZGVMMM-UHFFFAOYSA-N 0 1 387.440 3.077 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1[N+](=O)[O-] ZINC000269380632 1434634503 /nfs/dbraw/zinc/63/45/03/1434634503.db2.gz JJIFNANLOYQIGI-CYBMUJFWSA-N 0 1 384.396 3.421 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000269510545 1434655098 /nfs/dbraw/zinc/65/50/98/1434655098.db2.gz OOZMXBVNJFOAAL-RISCZKNCSA-N 0 1 376.388 3.183 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000269738832 1434673059 /nfs/dbraw/zinc/67/30/59/1434673059.db2.gz YDBGZEUNDPSTAG-GJZGRUSLSA-N 0 1 390.415 3.309 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000269738834 1434673101 /nfs/dbraw/zinc/67/31/01/1434673101.db2.gz YDBGZEUNDPSTAG-LSDHHAIUSA-N 0 1 390.415 3.309 20 5 GGBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000270006785 1434692919 /nfs/dbraw/zinc/69/29/19/1434692919.db2.gz QRJGOYNVVJEHNM-GFCCVEGCSA-N 0 1 378.816 3.211 20 5 GGBDMN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000270905653 1434786778 /nfs/dbraw/zinc/78/67/78/1434786778.db2.gz RXNTYGNJZNWMCR-LBPRGKRZSA-N 0 1 380.408 3.091 20 5 GGBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000271392273 1434821355 /nfs/dbraw/zinc/82/13/55/1434821355.db2.gz GIEUULVVMVMCFJ-UHFFFAOYSA-N 0 1 380.422 3.329 20 5 GGBDMN Cc1cc(C2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)[nH]n1 ZINC000271633484 1434840532 /nfs/dbraw/zinc/84/05/32/1434840532.db2.gz PPNGAWAVZLLVPU-UHFFFAOYSA-N 0 1 377.832 3.098 20 5 GGBDMN Cc1cc(C2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)[nH]n1 ZINC000271650900 1434841905 /nfs/dbraw/zinc/84/19/05/1434841905.db2.gz VCXPIIRLFXPXPK-UHFFFAOYSA-N 0 1 377.832 3.098 20 5 GGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000271777529 1434849878 /nfs/dbraw/zinc/84/98/78/1434849878.db2.gz HBLULJLXKMIRQP-CQSZACIVSA-N 0 1 398.419 3.149 20 5 GGBDMN C[C@H](N[C@@H](C)c1ccc([S@](C)=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000271784446 1434850442 /nfs/dbraw/zinc/85/04/42/1434850442.db2.gz HLWAXIUZZWAXKJ-VXLFJPSPSA-N 0 1 375.450 3.010 20 5 GGBDMN C[C@H](N[C@@H](C)c1ccc([S@@](C)=O)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000271829223 1434853202 /nfs/dbraw/zinc/85/32/02/1434853202.db2.gz QLXKIOQKLIPLJP-MGYFDLHMSA-N 0 1 375.450 3.010 20 5 GGBDMN C[C@@H](N[C@H](C)c1cccc(N2CCOC2=O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000271848197 1434854477 /nfs/dbraw/zinc/85/44/77/1434854477.db2.gz VZWUKLAJBWEPSF-ZIAGYGMSSA-N 0 1 398.419 3.229 20 5 GGBDMN CCC[C@@H](NC[C@](O)(c1nccn1C)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000272000572 1434864924 /nfs/dbraw/zinc/86/49/24/1434864924.db2.gz AHRBNAUHWQGPHF-ZBFHGGJFSA-N 0 1 386.374 3.209 20 5 GGBDMN COc1cc(CN(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)c(SC)cc1OC ZINC000272496102 1434900501 /nfs/dbraw/zinc/90/05/01/1434900501.db2.gz HVDDQCKFWQMVDT-UHFFFAOYSA-N 0 1 392.433 3.312 20 5 GGBDMN COc1cc(CN2CCC3(C2)CCOCC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000272495874 1434900528 /nfs/dbraw/zinc/90/05/28/1434900528.db2.gz VBHQGPCUXVOWIK-UHFFFAOYSA-N 0 1 386.395 3.250 20 5 GGBDMN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000272637078 1434918376 /nfs/dbraw/zinc/91/83/76/1434918376.db2.gz LDSBQWFKRJCUMV-GOSISDBHSA-N 0 1 387.411 3.309 20 5 GGBDMN O=C(Nc1ccncc1[N+](=O)[O-])N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000272662159 1434920794 /nfs/dbraw/zinc/92/07/94/1434920794.db2.gz IAJRIYHRJHFQFE-UHFFFAOYSA-N 0 1 393.407 3.186 20 5 GGBDMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272675437 1434921530 /nfs/dbraw/zinc/92/15/30/1434921530.db2.gz LZOMJESPEGTYJS-CHWSQXEVSA-N 0 1 393.440 3.066 20 5 GGBDMN Cc1cc(N2CCC([C@H](O)c3nccn3C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272792354 1434931535 /nfs/dbraw/zinc/93/15/35/1434931535.db2.gz CJEFEGCAGKKREY-IBGZPJMESA-N 0 1 381.436 3.135 20 5 GGBDMN Cc1cc(C2CCN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)[nH]n1 ZINC000273018177 1434950700 /nfs/dbraw/zinc/95/07/00/1434950700.db2.gz RPGSQGMPDUBXMH-LBPRGKRZSA-N 0 1 391.859 3.486 20 5 GGBDMN CCOc1ccc([C@@H](C)N[C@@H]2CCCN(Cc3ccccn3)C2=O)cc1[N+](=O)[O-] ZINC000273324010 1434980807 /nfs/dbraw/zinc/98/08/07/1434980807.db2.gz ZVEMUQPXIATMFT-CRAIPNDOSA-N 0 1 398.463 3.230 20 5 GGBDMN Cc1cc(C2CCN(C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)CC2)n[nH]1 ZINC000273563199 1434997009 /nfs/dbraw/zinc/99/70/09/1434997009.db2.gz BYSIAPXSGYKSLY-UHFFFAOYSA-N 0 1 387.396 3.171 20 5 GGBDMN CC(C)N1CCC[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000274424472 1435070208 /nfs/dbraw/zinc/07/02/08/1435070208.db2.gz DXDGSEWMFFAIJO-QGZVFWFLSA-N 0 1 377.488 3.144 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](CCn1cncn1)c1ccc(C)cc1 ZINC000275665656 1435158041 /nfs/dbraw/zinc/15/80/41/1435158041.db2.gz BWNNQORQYMYAOU-LJQANCHMSA-N 0 1 381.436 3.425 20 5 GGBDMN CN(C)[C@]1(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCSC1 ZINC000275788402 1435169557 /nfs/dbraw/zinc/16/95/57/1435169557.db2.gz NTIHGMFQIJKHPF-NRFANRHFSA-N 0 1 381.501 3.261 20 5 GGBDMN CCOc1cc(CN2CCC(CN3CCCCC3=O)CC2)ccc1[N+](=O)[O-] ZINC000276850177 1435237342 /nfs/dbraw/zinc/23/73/42/1435237342.db2.gz DPDQOOZTYVVPJZ-UHFFFAOYSA-N 0 1 375.469 3.218 20 5 GGBDMN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)cc1OC ZINC000277147694 1435268736 /nfs/dbraw/zinc/26/87/36/1435268736.db2.gz VZWQLVSJVGQGLR-QWRGUYRKSA-N 0 1 391.428 3.125 20 5 GGBDMN Cc1noc(C[C@@H](N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277432738 1435304507 /nfs/dbraw/zinc/30/45/07/1435304507.db2.gz QDQFASZJCRIRMR-FZKQIMNGSA-N 0 1 395.419 3.187 20 5 GGBDMN Cc1[nH]nc(C(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)c1[N+](=O)[O-] ZINC000277579913 1435314091 /nfs/dbraw/zinc/31/40/91/1435314091.db2.gz OLOJKKZHWDNVNR-LBPRGKRZSA-N 0 1 384.421 3.198 20 5 GGBDMN CCc1[nH]nc(C(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)c1[N+](=O)[O-] ZINC000277894418 1435340181 /nfs/dbraw/zinc/34/01/81/1435340181.db2.gz FNZPWQBDNZEIPF-LBPRGKRZSA-N 0 1 398.448 3.452 20 5 GGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000277903224 1435340996 /nfs/dbraw/zinc/34/09/96/1435340996.db2.gz RLUWZWQEZJAHGU-UHFFFAOYSA-N 0 1 398.394 3.432 20 5 GGBDMN CCc1[nH]nc(C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000278055995 1435354457 /nfs/dbraw/zinc/35/44/57/1435354457.db2.gz XNKRGYVNHYZXFU-ZFWWWQNUSA-N 0 1 376.388 3.012 20 5 GGBDMN CCc1[nH]nc(C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000278055992 1435354465 /nfs/dbraw/zinc/35/44/65/1435354465.db2.gz XNKRGYVNHYZXFU-UKRRQHHQSA-N 0 1 376.388 3.012 20 5 GGBDMN CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000278202700 1435369142 /nfs/dbraw/zinc/36/91/42/1435369142.db2.gz JIILVOIDWNWFDK-UHFFFAOYSA-N 0 1 398.419 3.240 20 5 GGBDMN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000278468796 1435393309 /nfs/dbraw/zinc/39/33/09/1435393309.db2.gz UGZGJGCUSUFTTF-JTQLQIEISA-N 0 1 382.346 3.388 20 5 GGBDMN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000278468796 1435393310 /nfs/dbraw/zinc/39/33/10/1435393310.db2.gz UGZGJGCUSUFTTF-JTQLQIEISA-N 0 1 382.346 3.388 20 5 GGBDMN C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)CCCCCO ZINC000278776909 1435422684 /nfs/dbraw/zinc/42/26/84/1435422684.db2.gz CTVZOLGKXBMRMY-ZDUSSCGKSA-N 0 1 392.481 3.140 20 5 GGBDMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000278864320 1435432947 /nfs/dbraw/zinc/43/29/47/1435432947.db2.gz NLYXLPUUTISJCW-OAHLLOKOSA-N 0 1 389.496 3.218 20 5 GGBDMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000278864316 1435432972 /nfs/dbraw/zinc/43/29/72/1435432972.db2.gz NLYXLPUUTISJCW-HNNXBMFYSA-N 0 1 389.496 3.218 20 5 GGBDMN CC1(C)C[C@@H](N[C@@H]2CCCN(Cc3ccccn3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000279139813 1435464415 /nfs/dbraw/zinc/46/44/15/1435464415.db2.gz RUJHOWZZPBYYQR-WOJBJXKFSA-N 0 1 394.475 3.493 20 5 GGBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(N2CCC[NH+]=C2[O-])c1 ZINC000280448293 1435662453 /nfs/dbraw/zinc/66/24/53/1435662453.db2.gz NLRCXWUCQIEVBP-UHFFFAOYSA-N 0 1 384.392 3.166 20 5 GGBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000281172722 1435789108 /nfs/dbraw/zinc/78/91/08/1435789108.db2.gz MVYWCRZGOPJRTI-KRWDZBQOSA-N 0 1 387.436 3.035 20 5 GGBDMN Cc1[nH]nc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)c1[N+](=O)[O-] ZINC000281882075 1435825474 /nfs/dbraw/zinc/82/54/74/1435825474.db2.gz OVKDKRIUPJKODH-OAHLLOKOSA-N 0 1 380.408 3.384 20 5 GGBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2N2CCN(CC)CC2)c1 ZINC000282629967 1435854335 /nfs/dbraw/zinc/85/43/35/1435854335.db2.gz JSZHQJRURNVWBW-UHFFFAOYSA-N 0 1 398.463 3.388 20 5 GGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(N2CCc3ccccc32)CC1 ZINC000282909470 1435865622 /nfs/dbraw/zinc/86/56/22/1435865622.db2.gz XPNACDNPEJJNIT-UHFFFAOYSA-N 0 1 391.431 3.138 20 5 GGBDMN C[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000283228869 1435880319 /nfs/dbraw/zinc/88/03/19/1435880319.db2.gz UAHPITRNWKPMLP-ZDUSSCGKSA-N 0 1 387.411 3.242 20 5 GGBDMN C[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000283228864 1435880328 /nfs/dbraw/zinc/88/03/28/1435880328.db2.gz UAHPITRNWKPMLP-CYBMUJFWSA-N 0 1 387.411 3.242 20 5 GGBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)c1 ZINC000283363733 1435886189 /nfs/dbraw/zinc/88/61/89/1435886189.db2.gz DKIUKPXOTFNSSC-GOSISDBHSA-N 0 1 375.400 3.165 20 5 GGBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)c1 ZINC000283585508 1435896679 /nfs/dbraw/zinc/89/66/79/1435896679.db2.gz WWXGBWFUXKBXEN-IBGZPJMESA-N 0 1 387.436 3.035 20 5 GGBDMN O=C(Nc1cccc([N+](=O)[O-])c1Cl)NC1CCN(Cc2ccncc2)CC1 ZINC000284053285 1435981618 /nfs/dbraw/zinc/98/16/18/1435981618.db2.gz PXVJWQGEQXWOLZ-UHFFFAOYSA-N 0 1 389.843 3.429 20 5 GGBDMN Cc1nc2c(cccc2C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000284148461 1435999118 /nfs/dbraw/zinc/99/91/18/1435999118.db2.gz WJKJXGDEMJSBCK-UHFFFAOYSA-N 0 1 380.404 3.463 20 5 GGBDMN CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000284519705 1436027629 /nfs/dbraw/zinc/02/76/29/1436027629.db2.gz WDBXUBLGKIUKNW-HNNXBMFYSA-N 0 1 386.427 3.053 20 5 GGBDMN CC1CC[NH+](C2CCC(Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)CC1 ZINC000824954601 1441750738 /nfs/dbraw/zinc/75/07/38/1441750738.db2.gz LGAYGAIZHYHOPM-UHFFFAOYSA-N 0 1 385.472 3.230 20 5 GGBDMN O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3cc(-c4nnn[n-]4)ccc3F)o2)cc1 ZINC000823634957 1443477102 /nfs/dbraw/zinc/47/71/02/1443477102.db2.gz OWLGDBCNVYNAFJ-UHFFFAOYSA-N 0 1 394.366 3.464 20 5 GGBDMN CCc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)[NH+](C)C)cc1 ZINC000825704068 1443603362 /nfs/dbraw/zinc/60/33/62/1443603362.db2.gz CBQFWUXFIPAKMY-GOSISDBHSA-N 0 1 381.440 3.052 20 5 GGBDMN CCc1ccc([C@H](CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000821482039 1446193639 /nfs/dbraw/zinc/19/36/39/1446193639.db2.gz PNMHKTIWWJMSMI-SFHVURJKSA-N 0 1 381.440 3.052 20 5 GGBDMN C[N@@H+]1CC[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000826029943 1447119015 /nfs/dbraw/zinc/11/90/15/1447119015.db2.gz YJPZYXMDCZDQIZ-DOTOQJQBSA-N 0 1 399.842 3.286 20 5 GGBDMN C[N@H+]1CC[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000826029943 1447119017 /nfs/dbraw/zinc/11/90/17/1447119017.db2.gz YJPZYXMDCZDQIZ-DOTOQJQBSA-N 0 1 399.842 3.286 20 5 GGBDMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000820555776 1449834687 /nfs/dbraw/zinc/83/46/87/1449834687.db2.gz PMZMSEWSGAUYBH-CQSZACIVSA-N 0 1 394.435 3.379 20 5 GGBDMN Cc1ccc([C@@H](C)[NH2+]CCCOc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826283441 1450166830 /nfs/dbraw/zinc/16/68/30/1450166830.db2.gz QZFRBKNAVYJNFO-CQSZACIVSA-N 0 1 382.424 3.203 20 5 GGBDMN O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1F)C1CC1 ZINC000823646761 1450240308 /nfs/dbraw/zinc/24/03/08/1450240308.db2.gz AAQWOCGIGOIKOM-KRWDZBQOSA-N 0 1 382.399 3.025 20 5 GGBDMN CC(C)N(C)Cc1cnc2n1CCN(c1ncc(Cl)cc1[N+](=O)[O-])[C@@H]2C ZINC001164858337 720924892 /nfs/dbraw/zinc/92/48/92/720924892.db2.gz MUJHTNLPNNTARY-GFCCVEGCSA-N 0 1 378.864 3.261 20 5 GGBDMN CC(C)N(C)Cc1cnc2n1CCN(c1nccc(Cl)c1[N+](=O)[O-])[C@H]2C ZINC001164853991 720925698 /nfs/dbraw/zinc/92/56/98/720925698.db2.gz DNBLGHYCVYAKMY-LBPRGKRZSA-N 0 1 378.864 3.261 20 5 GGBDMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)[C@@H]2C ZINC001164862378 720974612 /nfs/dbraw/zinc/97/46/12/720974612.db2.gz SEMWNOXLCVTDOQ-CYBMUJFWSA-N 0 1 383.456 3.089 20 5 GGBDMN CC(C)N(C)Cc1cnc2n1CCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)[C@@H]2C ZINC001164863585 720983150 /nfs/dbraw/zinc/98/31/50/720983150.db2.gz WWODILWKGUJQEU-CYBMUJFWSA-N 0 1 383.456 3.089 20 5 GGBDMN O=[N+]([O-])c1cc(Cl)cnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164896283 721512070 /nfs/dbraw/zinc/51/20/70/721512070.db2.gz AMYLWLMBOISGNN-HOCLYGCPSA-N 0 1 392.818 3.124 20 5 GGBDMN O=[N+]([O-])c1c(Cl)ccnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164899711 721513036 /nfs/dbraw/zinc/51/30/36/721513036.db2.gz LUYFGZIRWJPHCR-UKRRQHHQSA-N 0 1 392.818 3.124 20 5 GGBDMN O=[N+]([O-])c1cnc(Cl)cc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164901033 721519309 /nfs/dbraw/zinc/51/93/09/721519309.db2.gz WBMIKSOHWDGTAO-UKRRQHHQSA-N 0 1 392.818 3.124 20 5 GGBDMN COc1cccc(OC)c1CN1CCC(N(C)c2cc([N+](=O)[O-])ccn2)CC1 ZINC001165023427 721838266 /nfs/dbraw/zinc/83/82/66/721838266.db2.gz XABDYPYIAAKUQM-UHFFFAOYSA-N 0 1 386.452 3.108 20 5 GGBDMN Cc1ccc(CN2CCOC3(CCN(c4cc([N+](=O)[O-])ccn4)CC3)C2)cc1 ZINC001164940117 721920967 /nfs/dbraw/zinc/92/09/67/721920967.db2.gz YZWTYFMSIVMUBF-UHFFFAOYSA-N 0 1 382.464 3.170 20 5 GGBDMN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCCO3)CC2)nc1-c1ccc(F)cc1 ZINC000619526963 721925173 /nfs/dbraw/zinc/92/51/73/721925173.db2.gz IVAIOKSCTAOXQP-KRWDZBQOSA-N 0 1 386.427 3.097 20 5 GGBDMN O=[N+]([O-])c1ccc2ccc(N3CCN(CCOc4ccccc4)CC3)nc2c1 ZINC001165043844 721955205 /nfs/dbraw/zinc/95/52/05/721955205.db2.gz DXIUPXSFTCATHQ-UHFFFAOYSA-N 0 1 378.432 3.344 20 5 GGBDMN O=[N+]([O-])c1ccc2c(ccnc2N2CCN(CCOc3ccccc3)CC2)c1 ZINC001165048309 721961672 /nfs/dbraw/zinc/96/16/72/721961672.db2.gz YKIOJUACOAOBTE-UHFFFAOYSA-N 0 1 378.432 3.344 20 5 GGBDMN COc1cc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)ncc1[N+](=O)[O-] ZINC001164993266 722197733 /nfs/dbraw/zinc/19/77/33/722197733.db2.gz DSARUYFIEHUQPS-HXUWFJFHSA-N 0 1 386.427 3.382 20 5 GGBDMN Cc1ccc2nc([C@@H]3CCCN3c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)[nH]c2c1 ZINC000822271009 946039022 /nfs/dbraw/zinc/03/90/22/946039022.db2.gz IKEMEYQJZAIAIM-KRWDZBQOSA-N 0 1 390.407 3.301 20 5 GGBDMN Cc1ccc2nc([C@@H]3CCCN3c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])[nH]c2c1 ZINC000822271337 946040938 /nfs/dbraw/zinc/04/09/38/946040938.db2.gz XVSILJNPRRUBHO-INIZCTEOSA-N 0 1 390.407 3.301 20 5 GGBDMN O=C([O-])C[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001594987253 951023515 /nfs/dbraw/zinc/02/35/15/951023515.db2.gz WENUUPSMWVFCHV-LLVKDONJSA-N 0 1 380.788 3.127 20 5 GGBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)cc1OC ZINC000568074576 953641759 /nfs/dbraw/zinc/64/17/59/953641759.db2.gz MQRHOYOSBFBUAL-ORAYPTAESA-N 0 1 380.441 3.325 20 5 GGBDMN O=C([O-])[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC001594843565 954105730 /nfs/dbraw/zinc/10/57/30/954105730.db2.gz QQMFVULEXCADNU-NSHDSACASA-N 0 1 389.202 3.473 20 5 GGBDMN O=C([O-])[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Br)c1ccc(F)cc1 ZINC001594843984 954114023 /nfs/dbraw/zinc/11/40/23/954114023.db2.gz QSBYJUVQHLSGPU-AWEZNQCLSA-N 0 1 383.173 3.412 20 5 GGBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])cc1OC ZINC001589459067 954857198 /nfs/dbraw/zinc/85/71/98/954857198.db2.gz UMELVKLYTBWVIA-GZBFAFLISA-N 0 1 380.441 3.466 20 5 GGBDMN C[C@]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001589128230 956177327 /nfs/dbraw/zinc/17/73/27/956177327.db2.gz FIQHJEZIENTEIS-MRXNPFEDSA-N 0 1 379.210 3.447 20 5 GGBDMN COc1cc(C[N@H+]2CCC[C@H]2C(=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000263382046 962539919 /nfs/dbraw/zinc/53/99/19/962539919.db2.gz BWOAGYDTUDXYQT-KRWDZBQOSA-N 0 1 386.404 3.231 20 5 GGBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001603290926 972550270 /nfs/dbraw/zinc/55/02/70/972550270.db2.gz ZICAEKQNULISPX-PXAZEXFGSA-N 0 1 394.387 3.390 20 5 GGBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001603290926 972550277 /nfs/dbraw/zinc/55/02/77/972550277.db2.gz ZICAEKQNULISPX-PXAZEXFGSA-N 0 1 394.387 3.390 20 5 GGBDMN O=C([O-])CCC1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC001606131569 973376184 /nfs/dbraw/zinc/37/61/84/973376184.db2.gz HOWSLXSDWHFYDT-UHFFFAOYSA-N 0 1 394.815 3.375 20 5 GGBDMN O=C([O-])c1ccnc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC000516185112 974305166 /nfs/dbraw/zinc/30/51/66/974305166.db2.gz RYUBSWYHFFGXKI-MQVJKMGUSA-N 0 1 382.420 3.296 20 5 GGBDMN C[N@H+]1CCC[C@@H](CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000517378800 974317017 /nfs/dbraw/zinc/31/70/17/974317017.db2.gz VMJCPKRSYBFJHD-XHDPSFHLSA-N 0 1 376.438 3.245 20 5 GGBDMN C[N@H+]1CCC[C@H](CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000517378788 974317453 /nfs/dbraw/zinc/31/74/53/974317453.db2.gz VMJCPKRSYBFJHD-ABAIWWIYSA-N 0 1 376.438 3.245 20 5 GGBDMN O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000518306108 974322265 /nfs/dbraw/zinc/32/22/65/974322265.db2.gz MPIPWKLZOMRBFT-MRXNPFEDSA-N 0 1 384.436 3.402 20 5 GGBDMN C[C@H]1C[C@H](CCNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000520588586 974339287 /nfs/dbraw/zinc/33/92/87/974339287.db2.gz SQZAANPDAARFGE-HOCLYGCPSA-N 0 1 384.436 3.401 20 5 GGBDMN Cc1cc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566291895 974603421 /nfs/dbraw/zinc/60/34/21/974603421.db2.gz NORLNRIDABJQJL-GOSISDBHSA-N 0 1 399.447 3.170 20 5 GGBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000566293811 974603964 /nfs/dbraw/zinc/60/39/64/974603964.db2.gz GIOZOEURYFRTBS-AWEZNQCLSA-N 0 1 398.463 3.262 20 5 GGBDMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000566362623 974610834 /nfs/dbraw/zinc/61/08/34/974610834.db2.gz CAODNZMGCNJUAJ-KRWDZBQOSA-N 0 1 386.404 3.186 20 5 GGBDMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000566362623 974610836 /nfs/dbraw/zinc/61/08/36/974610836.db2.gz CAODNZMGCNJUAJ-KRWDZBQOSA-N 0 1 386.404 3.186 20 5 GGBDMN Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566564001 974616867 /nfs/dbraw/zinc/61/68/67/974616867.db2.gz PDSNVDDMOJBUJA-GOSISDBHSA-N 0 1 399.447 3.304 20 5 GGBDMN O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c1 ZINC000567113928 974627279 /nfs/dbraw/zinc/62/72/79/974627279.db2.gz YHXBRGOINNULCY-MRXNPFEDSA-N 0 1 387.461 3.323 20 5 GGBDMN Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000568986935 974681410 /nfs/dbraw/zinc/68/14/10/974681410.db2.gz RSRHYJJIHYLIIF-QGZVFWFLSA-N 0 1 399.447 3.304 20 5 GGBDMN CC[N@@H+](CCC1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1)CC1CC1 ZINC000571169009 974723900 /nfs/dbraw/zinc/72/39/00/974723900.db2.gz GVSFFCXANMEDDI-UHFFFAOYSA-N 0 1 376.457 3.026 20 5 GGBDMN C[C@@H]1C[C@@H](CCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000577183279 974830150 /nfs/dbraw/zinc/83/01/50/974830150.db2.gz WZWMWLLRJYZWOM-GDBMZVCRSA-N 0 1 384.436 3.401 20 5 GGBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)n1 ZINC000577734117 974841513 /nfs/dbraw/zinc/84/15/13/974841513.db2.gz RVPSZWTXUKBZFP-HNNXBMFYSA-N 0 1 398.463 3.405 20 5 GGBDMN Cc1cc(NCc2cccc(C[NH+]3CCOCC3)c2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592968803 974976717 /nfs/dbraw/zinc/97/67/17/974976717.db2.gz OSJJHDJXIHAKMY-UHFFFAOYSA-N 0 1 385.420 3.046 20 5 GGBDMN O=C([O-])c1ccnc(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC000592976943 974978729 /nfs/dbraw/zinc/97/87/29/974978729.db2.gz IMXBGDWGWCBQMH-BPQIPLTHSA-N 0 1 396.447 3.401 20 5 GGBDMN CCC[C@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000592977226 974978924 /nfs/dbraw/zinc/97/89/24/974978924.db2.gz UPXCIWAJGXHSRD-KRWDZBQOSA-N 0 1 384.436 3.179 20 5 GGBDMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000593741495 974985452 /nfs/dbraw/zinc/98/54/52/974985452.db2.gz CRQFZEKSPFBPJP-QGZVFWFLSA-N 0 1 386.404 3.186 20 5 GGBDMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000593741495 974985459 /nfs/dbraw/zinc/98/54/59/974985459.db2.gz CRQFZEKSPFBPJP-QGZVFWFLSA-N 0 1 386.404 3.186 20 5 GGBDMN COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000600675788 975006201 /nfs/dbraw/zinc/00/62/01/975006201.db2.gz NWCYRIKKQFVUCJ-UHFFFAOYSA-N 0 1 377.422 3.138 20 5 GGBDMN C[C@@](CC(=O)[O-])([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(F)c1 ZINC001592328949 977750083 /nfs/dbraw/zinc/75/00/83/977750083.db2.gz PETBZLPORBFPQA-KRWDZBQOSA-N 0 1 377.328 3.122 20 5 GGBDMN C[C@](CC(=O)[O-])([NH2+]Cc1ccc([N+](=O)[O-])cc1Br)c1ccncc1 ZINC001592329330 977756579 /nfs/dbraw/zinc/75/65/79/977756579.db2.gz VVMXALVIXFSUEC-MRXNPFEDSA-N 0 1 394.225 3.232 20 5 GGBDMN O=C([O-])/C=C\c1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)c([N+](=O)[O-])c1 ZINC000746994165 978686160 /nfs/dbraw/zinc/68/61/60/978686160.db2.gz CGEAIPWLZGHBMD-VURMDHGXSA-N 0 1 397.431 3.137 20 5 GGBDMN Cc1cc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844212372 979368755 /nfs/dbraw/zinc/36/87/55/979368755.db2.gz HJKTZFJYGJQSTC-QGZVFWFLSA-N 0 1 399.447 3.170 20 5 GGBDMN CO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@@H](C(=O)[O-])C1 ZINC000902032208 980703884 /nfs/dbraw/zinc/70/38/84/980703884.db2.gz LGVHNTVUBSMFIN-MLGOLLRUSA-N 0 1 376.434 3.387 20 5 GGBDMN CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001595359527 980742183 /nfs/dbraw/zinc/74/21/83/980742183.db2.gz CWVRGNXHZIUNCA-INIZCTEOSA-N 0 1 388.399 3.100 20 5 GGBDMN Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)c3nccc(C(=O)[O-])c3[N+](=O)[O-])C2)s1 ZINC000910378200 981903618 /nfs/dbraw/zinc/90/36/18/981903618.db2.gz JTAWWIZFIOZQCA-ZDUSSCGKSA-N 0 1 390.465 3.016 20 5 GGBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]3C[C@@]32C(=O)[O-])cc1OC ZINC001594964482 982718679 /nfs/dbraw/zinc/71/86/79/982718679.db2.gz JJJYHYBKMYDQLR-RCDCFZSISA-N 0 1 392.452 3.467 20 5 GGBDMN CCOCCC[N@H+]1CC[C@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC001596917458 985961007 /nfs/dbraw/zinc/96/10/07/985961007.db2.gz WYLFPHURNKTHBS-YFZXXLGGSA-N 0 1 391.468 3.242 20 5 GGBDMN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC001594533133 986134803 /nfs/dbraw/zinc/13/48/03/986134803.db2.gz APACIELFIRSMTE-IUODEOHRSA-N 0 1 393.440 3.028 20 5 GGBDMN CCOc1cc(C[N@@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001597031073 986447478 /nfs/dbraw/zinc/44/74/78/986447478.db2.gz IOEJKIZNMRIBDF-OAHLLOKOSA-N 0 1 399.447 3.402 20 5 GGBDMN CCOc1cc(C[N@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001597031073 986447482 /nfs/dbraw/zinc/44/74/82/986447482.db2.gz IOEJKIZNMRIBDF-OAHLLOKOSA-N 0 1 399.447 3.402 20 5 GGBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC001589439017 986768852 /nfs/dbraw/zinc/76/88/52/986768852.db2.gz RQRLAXBCBMYJLN-NWDGAFQWSA-N 0 1 383.832 3.152 20 5 GGBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC001589439017 986768859 /nfs/dbraw/zinc/76/88/59/986768859.db2.gz RQRLAXBCBMYJLN-NWDGAFQWSA-N 0 1 383.832 3.152 20 5 GGBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC001589439021 986768953 /nfs/dbraw/zinc/76/89/53/986768953.db2.gz RQRLAXBCBMYJLN-VXGBXAGGSA-N 0 1 383.832 3.152 20 5 GGBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC001589439021 986768962 /nfs/dbraw/zinc/76/89/62/986768962.db2.gz RQRLAXBCBMYJLN-VXGBXAGGSA-N 0 1 383.832 3.152 20 5 GGBDMN CCn1c2ccc(C)cc2[nH+]c1NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001597860389 989635500 /nfs/dbraw/zinc/63/55/00/989635500.db2.gz QPKKEOSIYDQNBD-UHFFFAOYSA-N 0 1 384.392 3.348 20 5 GGBDMN CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001598066350 990349820 /nfs/dbraw/zinc/34/98/20/990349820.db2.gz ISXYXNZQZFJFPZ-HNNXBMFYSA-N 0 1 393.440 3.124 20 5 GGBDMN CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001598066350 990349826 /nfs/dbraw/zinc/34/98/26/990349826.db2.gz ISXYXNZQZFJFPZ-HNNXBMFYSA-N 0 1 393.440 3.124 20 5 GGBDMN COc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001599707972 991321770 /nfs/dbraw/zinc/32/17/70/991321770.db2.gz BQIROPNBLKXXGW-AWEZNQCLSA-N 0 1 388.420 3.130 20 5 GGBDMN 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GGBDMN Cc1csc([C@@H](NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C(F)(F)F)n1 ZINC000451064920 566747229 /nfs/dbraw/zinc/74/72/29/566747229.db2.gz TYPGDNBAFUZVQX-LLVKDONJSA-N 0 1 395.384 3.250 20 5 GGBDMN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000427113836 566747849 /nfs/dbraw/zinc/74/78/49/566747849.db2.gz JQIXTXFDRBLHJL-UHFFFAOYSA-N 0 1 384.797 3.226 20 5 GGBDMN CCC[NH+](CCC)CCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609075891 566748699 /nfs/dbraw/zinc/74/86/99/566748699.db2.gz BAZLEAOEAVVMIR-UHFFFAOYSA-N 0 1 377.894 3.039 20 5 GGBDMN CC1(C)Cc2ccc(Br)cc2[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000561943805 566751038 /nfs/dbraw/zinc/75/10/38/566751038.db2.gz BRKCUUSDFKSTPT-ZDUSSCGKSA-N 0 1 379.214 3.134 20 5 GGBDMN Cc1[nH]nc(C(=O)N(Cc2cccc(Br)c2)C(C)C)c1[N+](=O)[O-] ZINC000609166700 566753040 /nfs/dbraw/zinc/75/30/40/566753040.db2.gz GVNKQLVPMWTDDR-UHFFFAOYSA-N 0 1 381.230 3.440 20 5 GGBDMN COc1cc(S(=O)(=O)Nc2ccc(CCSC)cc2)ccc1[N+](=O)[O-] ZINC000469054756 566757395 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20 5 GGBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)n[nH]1 ZINC000489165883 566774495 /nfs/dbraw/zinc/77/44/95/566774495.db2.gz FNNZEGWUICZDOO-IUCAKERBSA-N 0 1 396.245 3.480 20 5 GGBDMN COC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000609819359 566788335 /nfs/dbraw/zinc/78/83/35/566788335.db2.gz MEJVYYLIBMGPJX-UHFFFAOYSA-N 0 1 384.797 3.144 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000610087154 566805060 /nfs/dbraw/zinc/80/50/60/566805060.db2.gz RHXBTOMJWYVGMC-UHFFFAOYSA-N 0 1 384.816 3.397 20 5 GGBDMN C[C@@H]1C[C@H]1[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000610266515 566820542 /nfs/dbraw/zinc/82/05/42/566820542.db2.gz IFXBHMXIOPCHAX-YVLXSGLVSA-N 0 1 381.841 3.319 20 5 GGBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1ccc(F)cc1Br ZINC000517428371 566825167 /nfs/dbraw/zinc/82/51/67/566825167.db2.gz MRRDNHTVRBLAQI-CYBMUJFWSA-N 0 1 399.216 3.026 20 5 GGBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1ccc(F)cc1Br ZINC000517428373 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3.082 20 5 GGBDMN C[C@H]1C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c2nccn21 ZINC000451933437 566911345 /nfs/dbraw/zinc/91/13/45/566911345.db2.gz BMXCNYCPDLWNPT-XVKPBYJWSA-N 0 1 391.236 3.082 20 5 GGBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1cc(Br)ccc1F ZINC000563802133 566917646 /nfs/dbraw/zinc/91/76/46/566917646.db2.gz NTYKVHSLKKGTHC-CYBMUJFWSA-N 0 1 399.216 3.026 20 5 GGBDMN Cc1nc(NS(=O)(=O)Cc2ccccc2Br)ccc1[N+](=O)[O-] ZINC000583077061 566918358 /nfs/dbraw/zinc/91/83/58/566918358.db2.gz XALJNLIYEWYSIT-UHFFFAOYSA-N 0 1 386.227 3.003 20 5 GGBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1cc(Br)ccc1F ZINC000563802135 566918440 /nfs/dbraw/zinc/91/84/40/566918440.db2.gz NTYKVHSLKKGTHC-ZDUSSCGKSA-N 0 1 399.216 3.026 20 5 GGBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1cnc(C2CC2)o1 ZINC000452032848 566925018 /nfs/dbraw/zinc/92/50/18/566925018.db2.gz XOIAWDDUMCOGHO-UHFFFAOYSA-N 0 1 392.220 3.246 20 5 GGBDMN COc1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC000611743219 566935480 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3.220 20 5 GGBDMN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000500103787 567299245 /nfs/dbraw/zinc/29/92/45/567299245.db2.gz VCZLMUIHFGNOQN-UHFFFAOYSA-N 0 1 376.170 3.068 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCc1ccc(F)cc1Cl ZINC000500145867 567302786 /nfs/dbraw/zinc/30/27/86/567302786.db2.gz SYQZGCJVQOELQB-UHFFFAOYSA-N 0 1 376.768 3.047 20 5 GGBDMN CCN(Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000568330465 567319707 /nfs/dbraw/zinc/31/97/07/567319707.db2.gz LCJFCUXHGOHUEM-CQSZACIVSA-N 0 1 390.221 3.200 20 5 GGBDMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2c([N+](=O)[O-])ncn2C)n1 ZINC000476481462 567327745 /nfs/dbraw/zinc/32/77/45/567327745.db2.gz MBCFGLPKSQMQQZ-UHFFFAOYSA-N 0 1 380.817 3.068 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000435440405 567367979 /nfs/dbraw/zinc/36/79/79/567367979.db2.gz WJTCSGGJGGVMPJ-PRHODGIISA-N 0 1 388.779 3.361 20 5 GGBDMN CC[C@H](C)N1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 ZINC000456519114 567387787 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GGBDMN O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000437315337 567490378 /nfs/dbraw/zinc/49/03/78/567490378.db2.gz YKERNPJZDOYQFX-LSDHHAIUSA-N 0 1 377.194 3.349 20 5 GGBDMN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc(F)c(F)c2)c1 ZINC000570748342 567509284 /nfs/dbraw/zinc/50/92/84/567509284.db2.gz AGPDSECPWPPAIZ-UHFFFAOYSA-N 0 1 393.165 3.436 20 5 GGBDMN O=C(N[C@H](Cc1cccc(Br)c1)CC1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000479263641 567520330 /nfs/dbraw/zinc/52/03/30/567520330.db2.gz PICHFSILVPQUOQ-ZDUSSCGKSA-N 0 1 393.241 3.222 20 5 GGBDMN C[S@](=O)[C@@H]1CCC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000594960742 567531224 /nfs/dbraw/zinc/53/12/24/567531224.db2.gz KODNXWRRQPVJON-MLTMRYFHSA-N 0 1 379.507 3.498 20 5 GGBDMN CCS(=O)(=O)c1c(Cl)cccc1CNCCc1cccc([N+](=O)[O-])c1 ZINC000479431681 567534288 /nfs/dbraw/zinc/53/42/88/567534288.db2.gz ZFIAIOPHARFLDT-UHFFFAOYSA-N 0 1 382.869 3.374 20 5 GGBDMN CN(CCOCCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000504569464 567540538 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CSc1nsc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])n1 ZINC000440069351 567614249 /nfs/dbraw/zinc/61/42/49/567614249.db2.gz JLFOASNZHCLPRD-UHFFFAOYSA-N 0 1 394.356 3.362 20 5 GGBDMN O=C(NC1(c2cccc(Br)c2)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506515301 567629977 /nfs/dbraw/zinc/62/99/77/567629977.db2.gz YYCDTPCMCBONEX-UHFFFAOYSA-N 0 1 377.194 3.482 20 5 GGBDMN CSc1ccccc1[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000440626768 567635908 /nfs/dbraw/zinc/63/59/08/567635908.db2.gz RJQTWIJEJNPZCF-ZDUSSCGKSA-N 0 1 380.491 3.441 20 5 GGBDMN O=C(N[C@H]1COc2cc(F)c(Br)cc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506673332 567638914 /nfs/dbraw/zinc/63/89/14/567638914.db2.gz WUUCWQRPUOUZDW-ZDUSSCGKSA-N 0 1 397.156 3.066 20 5 GGBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)CCc1cccc(Cl)c1 ZINC000506846921 567646289 /nfs/dbraw/zinc/64/62/89/567646289.db2.gz LTDFLFAVFMTHOH-UHFFFAOYSA-N 0 1 384.841 3.379 20 5 GGBDMN O=C(N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000572866459 567671475 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388.380 3.134 20 5 GGBDMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000736785356 600259879 /nfs/dbraw/zinc/25/98/79/600259879.db2.gz SDKLHGCOIHKKAM-LSDHHAIUSA-N 0 1 389.452 3.020 20 5 GGBDMN CC[N@H+]1CCC[C@H](Nc2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000737114136 600432446 /nfs/dbraw/zinc/43/24/46/600432446.db2.gz GXAXSLWGEBNJER-HNNXBMFYSA-N 0 1 397.431 3.420 20 5 GGBDMN O=C([O-])COc1cccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000739833353 600640328 /nfs/dbraw/zinc/64/03/28/600640328.db2.gz QSTLSTAACHUDRK-UHFFFAOYSA-N 0 1 399.428 3.472 20 5 GGBDMN O=C([O-])c1cc([N+](=O)[O-])c(NCC2([NH+]3CCOCC3)CCCCC2)cc1Cl ZINC000740094828 600943004 /nfs/dbraw/zinc/94/30/04/600943004.db2.gz IVPAJKPKPCQJBS-UHFFFAOYSA-N 0 1 397.859 3.393 20 5 GGBDMN O=C([O-])c1cc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000833300188 600960164 /nfs/dbraw/zinc/96/01/64/600960164.db2.gz LJGJTCARUWQRTA-SFHVURJKSA-N 0 1 383.404 3.286 20 5 GGBDMN O=C([O-])c1cc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000833300188 600960165 /nfs/dbraw/zinc/96/01/65/600960165.db2.gz LJGJTCARUWQRTA-SFHVURJKSA-N 0 1 383.404 3.286 20 5 GGBDMN C[C@H]1C[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000828177397 601173224 /nfs/dbraw/zinc/17/32/24/601173224.db2.gz PTSSFBKACHWZRK-KBXCAEBGSA-N 0 1 397.431 3.076 20 5 GGBDMN C[C@@H](C(=O)[O-])[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000826055259 601203143 /nfs/dbraw/zinc/20/31/43/601203143.db2.gz XPWQHNSVGINDPT-PXAZEXFGSA-N 0 1 382.376 3.196 20 5 GGBDMN O=C([O-])CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(F)c(F)c1 ZINC000833233178 601318094 /nfs/dbraw/zinc/31/80/94/601318094.db2.gz FXZBXBUEURMXMK-UHFFFAOYSA-N 0 1 391.330 3.491 20 5 GGBDMN O=C([O-])CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(F)c(F)c1 ZINC000833233178 601318096 /nfs/dbraw/zinc/31/80/96/601318096.db2.gz FXZBXBUEURMXMK-UHFFFAOYSA-N 0 1 391.330 3.491 20 5 GGBDMN CC[N@@H+]1C[C@H](Nc2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000829754804 601564993 /nfs/dbraw/zinc/56/49/93/601564993.db2.gz YEHMZCAGCSKKJO-UGSOOPFHSA-N 0 1 397.431 3.276 20 5 GGBDMN CC[N@H+]1C[C@@H](C)[C@H](Nc2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829754796 601565055 /nfs/dbraw/zinc/56/50/55/601565055.db2.gz YEHMZCAGCSKKJO-FZKQIMNGSA-N 0 1 397.431 3.276 20 5 GGBDMN COc1ccc(-c2nn[nH]n2)cc1CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000826182220 607519719 /nfs/dbraw/zinc/51/97/19/607519719.db2.gz DPUSRIIRFHDHNK-UHFFFAOYSA-N 0 1 382.424 3.194 20 5 GGBDMN Cc1cc(N2CCC[C@H](Nc3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)C2)nc(C)[nH+]1 ZINC000832891157 602316826 /nfs/dbraw/zinc/31/68/26/602316826.db2.gz MEOCJFUBLOEVST-AWEZNQCLSA-N 0 1 385.424 3.089 20 5 GGBDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000833420956 604940356 /nfs/dbraw/zinc/94/03/56/604940356.db2.gz DPLWIUHTNAPKAJ-LLVKDONJSA-N 0 1 383.832 3.010 20 5 GGBDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000833420956 604940357 /nfs/dbraw/zinc/94/03/57/604940357.db2.gz DPLWIUHTNAPKAJ-LLVKDONJSA-N 0 1 383.832 3.010 20 5 GGBDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000833419880 605042695 /nfs/dbraw/zinc/04/26/95/605042695.db2.gz XSTGFPXUNNJTDO-GFCCVEGCSA-N 0 1 380.832 3.378 20 5 GGBDMN CN1CC[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000826029945 608018773 /nfs/dbraw/zinc/01/87/73/608018773.db2.gz YJPZYXMDCZDQIZ-RDJZCZTQSA-N 0 1 399.842 3.286 20 5 GGBDMN CC(C)C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000824262046 608568301 /nfs/dbraw/zinc/56/83/01/608568301.db2.gz VAGMMTSNYDZUBB-UHFFFAOYSA-N 0 1 382.424 3.139 20 5 GGBDMN Cc1ccc(CN2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1[N+](=O)[O-] ZINC000826287889 608857528 /nfs/dbraw/zinc/85/75/28/608857528.db2.gz IGYFSLYRJWJWFP-UHFFFAOYSA-N 0 1 376.420 3.373 20 5 GGBDMN 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BEAKWCKTYOJYAG-UHFFFAOYSA-N 0 1 393.802 3.051 20 5 GGBDMN COc1ccc(-c2ccc(CN3CCC[C@@H](N4CCCC4=O)C3)o2)c([N+](=O)[O-])c1 ZINC000093278265 1410228656 /nfs/dbraw/zinc/22/86/56/1410228656.db2.gz VMCSYZUGSIKBIG-OAHLLOKOSA-N 0 1 399.447 3.450 20 5 GGBDMN CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000093359865 1410238345 /nfs/dbraw/zinc/23/83/45/1410238345.db2.gz ASQCBDXTSLCWPT-KRWDZBQOSA-N 0 1 375.812 3.191 20 5 GGBDMN COc1cc(CN2CCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000093482643 1410248575 /nfs/dbraw/zinc/24/85/75/1410248575.db2.gz FXBDGYYJCBCZBV-WCQYABFASA-N 0 1 392.374 3.280 20 5 GGBDMN Cc1nn(-c2ccccc2)cc1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534278 1410250570 /nfs/dbraw/zinc/25/05/70/1410250570.db2.gz ARXMWPOBACDANH-QGZVFWFLSA-N 0 1 378.436 3.170 20 5 GGBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc(Oc4cnccn4)cc3)C2)nc1 ZINC000093534772 1410252049 /nfs/dbraw/zinc/25/20/49/1410252049.db2.gz HSWINAUPMGOJJE-INIZCTEOSA-N 0 1 392.419 3.259 20 5 GGBDMN COCCOC[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000093754154 1410263475 /nfs/dbraw/zinc/26/34/75/1410263475.db2.gz UXJFRVGPMGIPFX-CQSZACIVSA-N 0 1 377.466 3.203 20 5 GGBDMN Cn1cc(CN2CCC([C@H](O)C(F)(F)F)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093766156 1410264681 /nfs/dbraw/zinc/26/46/81/1410264681.db2.gz FYMQWBJHSGJDCD-KRWDZBQOSA-N 0 1 398.385 3.131 20 5 GGBDMN COc1cc(NC2CC[NH+](Cc3cc([O-])ccc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000093837606 1410272308 /nfs/dbraw/zinc/27/23/08/1410272308.db2.gz FSVCXDWCFBXAKL-UHFFFAOYSA-N 0 1 387.436 3.394 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(CC[NH+]3CCCC3)c2)cc1 ZINC000093931250 1410287295 /nfs/dbraw/zinc/28/72/95/1410287295.db2.gz CAPXYMILILVWSJ-UHFFFAOYSA-N 0 1 375.450 3.034 20 5 GGBDMN CCCN(Cn1nc(C)c([N+](=O)[O-])c1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000101539271 1410455284 /nfs/dbraw/zinc/45/52/84/1410455284.db2.gz RHFDPSLPIHYFCX-UHFFFAOYSA-N 0 1 399.495 3.382 20 5 GGBDMN CN(CCCc1cc(-c2ccccc2)no1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000101558992 1410463747 /nfs/dbraw/zinc/46/37/47/1410463747.db2.gz YKRVLWDUDZUBDL-UHFFFAOYSA-N 0 1 394.431 3.413 20 5 GGBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](c1ccc(C)o1)N1CCOCC1 ZINC000101590131 1410473957 /nfs/dbraw/zinc/47/39/57/1410473957.db2.gz QQYHPJMXBDNRAS-GOSISDBHSA-N 0 1 389.452 3.058 20 5 GGBDMN CCCNC(=O)CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000102526941 1410643902 /nfs/dbraw/zinc/64/39/02/1410643902.db2.gz YEELXBNSBIUPOH-UHFFFAOYSA-N 0 1 393.447 3.063 20 5 GGBDMN Cc1c(NC(=O)[C@H](C)Sc2nc(-c3cccnc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000102829295 1410788950 /nfs/dbraw/zinc/78/89/50/1410788950.db2.gz OCFMWVQBWVSUOP-NSHDSACASA-N 0 1 384.421 3.203 20 5 GGBDMN CC(C)C(=O)Nc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000103201759 1410836749 /nfs/dbraw/zinc/83/67/49/1410836749.db2.gz XMCHPKJRJVHYOZ-UHFFFAOYSA-N 0 1 394.391 3.227 20 5 GGBDMN O=C(CCCOCc1ccccc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000103201434 1410836771 /nfs/dbraw/zinc/83/67/71/1410836771.db2.gz DSQWWZCIMRDIAG-UHFFFAOYSA-N 0 1 381.392 3.315 20 5 GGBDMN O=C(CCCOc1ccccc1F)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000103201299 1410836781 /nfs/dbraw/zinc/83/67/81/1410836781.db2.gz SIGKHJFRBHXCBW-UHFFFAOYSA-N 0 1 385.355 3.317 20 5 GGBDMN CC(C)(C)c1noc(CCCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)n1 ZINC000103201664 1410837024 /nfs/dbraw/zinc/83/70/24/1410837024.db2.gz WTURLKLZDJKDMX-UHFFFAOYSA-N 0 1 399.411 3.022 20 5 GGBDMN CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000103458176 1410859669 /nfs/dbraw/zinc/85/96/69/1410859669.db2.gz UXZIVRMVMVIVTB-AEFFLSMTSA-N 0 1 399.495 3.433 20 5 GGBDMN CN(C)Cc1ccnc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000176927561 1428522392 /nfs/dbraw/zinc/52/23/92/1428522392.db2.gz ZUPANCXPJVWTIM-UHFFFAOYSA-N 0 1 383.433 3.427 20 5 GGBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCN(c4ccccn4)CC3)o2)c1 ZINC000104661645 1410922307 /nfs/dbraw/zinc/92/23/07/1410922307.db2.gz NPCIVVQRCBYLAQ-UHFFFAOYSA-N 0 1 379.420 3.010 20 5 GGBDMN CC(C)C(=O)N[C@@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104682125 1410928081 /nfs/dbraw/zinc/92/80/81/1410928081.db2.gz IRVOFPKZLCXKCB-MRXNPFEDSA-N 0 1 386.452 3.029 20 5 GGBDMN Nc1ccc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000105107291 1411029481 /nfs/dbraw/zinc/02/94/81/1411029481.db2.gz OWNADKILMMTTTB-UHFFFAOYSA-N 0 1 388.855 3.225 20 5 GGBDMN O=C(NCc1ccnc(N2CCCCCC2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000107275959 1411357525 /nfs/dbraw/zinc/35/75/25/1411357525.db2.gz BZQLAAUDVQDKLR-UHFFFAOYSA-N 0 1 394.435 3.177 20 5 GGBDMN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)c1 ZINC000108553166 1411536616 /nfs/dbraw/zinc/53/66/16/1411536616.db2.gz VQWQTIJMVRRCOZ-QGZVFWFLSA-N 0 1 377.441 3.489 20 5 GGBDMN CCCc1[nH]nc(C(=O)N(C)Cc2ccc(SC)c(OC)c2)c1[N+](=O)[O-] ZINC000109621041 1411800815 /nfs/dbraw/zinc/80/08/15/1411800815.db2.gz QTFRHOHSFDHERJ-UHFFFAOYSA-N 0 1 378.454 3.273 20 5 GGBDMN CCCc1[nH]nc(C(=O)N2CCC[C@@H](c3nc4cc(C)ccc4[nH]3)C2)c1[N+](=O)[O-] ZINC000109621310 1411800885 /nfs/dbraw/zinc/80/08/85/1411800885.db2.gz VRKJMEIJDNZYKP-CYBMUJFWSA-N 0 1 396.451 3.475 20 5 GGBDMN CCCc1n[nH]c(C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)c1[N+](=O)[O-] ZINC000109621310 1411800886 /nfs/dbraw/zinc/80/08/86/1411800886.db2.gz VRKJMEIJDNZYKP-CYBMUJFWSA-N 0 1 396.451 3.475 20 5 GGBDMN CCCc1[nH]nc(C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)c1[N+](=O)[O-] ZINC000109621310 1411800892 /nfs/dbraw/zinc/80/08/92/1411800892.db2.gz VRKJMEIJDNZYKP-CYBMUJFWSA-N 0 1 396.451 3.475 20 5 GGBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(Cc2ccccc2)C[C@H]1C ZINC000111308104 1411907403 /nfs/dbraw/zinc/90/74/03/1411907403.db2.gz CIDROMONQZVEGE-QGZVFWFLSA-N 0 1 382.464 3.048 20 5 GGBDMN CCCN1Cc2cccc(NC(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)c2C1 ZINC000111598469 1411999432 /nfs/dbraw/zinc/99/94/32/1411999432.db2.gz XYNSRBUVLRJGOT-UHFFFAOYSA-N 0 1 392.415 3.414 20 5 GGBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000111991183 1412064174 /nfs/dbraw/zinc/06/41/74/1412064174.db2.gz RCOPJOUAMKZFEX-VIFPVBQESA-N 0 1 377.788 3.324 20 5 GGBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000112532109 1412163859 /nfs/dbraw/zinc/16/38/59/1412163859.db2.gz NEMQTDQSKJDUDZ-LSDHHAIUSA-N 0 1 380.448 3.474 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(CCO)[C@H]1CCCc2ccccc21 ZINC000114468872 1412439745 /nfs/dbraw/zinc/43/97/45/1412439745.db2.gz ZOGMFOPDAKKDRV-FQEVSTJZSA-N 0 1 383.448 3.214 20 5 GGBDMN O=[N+]([O-])c1cc(CN(CCO)[C@@H]2CCCc3ccccc32)c2c(c1)COCO2 ZINC000114468637 1412440091 /nfs/dbraw/zinc/44/00/91/1412440091.db2.gz JGFZICVBBPSPKZ-HXUWFJFHSA-N 0 1 384.432 3.333 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(CCCO)[C@H]1CCc2ccccc21 ZINC000114469791 1412441185 /nfs/dbraw/zinc/44/11/85/1412441185.db2.gz SITKWIIIMBNTKW-FQEVSTJZSA-N 0 1 383.448 3.214 20 5 GGBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000114748854 1412518061 /nfs/dbraw/zinc/51/80/61/1412518061.db2.gz SDDDLFVIALHSJX-HUUCEWRRSA-N 0 1 396.447 3.399 20 5 GGBDMN CC1CCC(N2CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)CC2)CC1 ZINC000115255334 1412622374 /nfs/dbraw/zinc/62/23/74/1412622374.db2.gz ZDCZPIWGYXSDOV-UHFFFAOYSA-N 0 1 397.479 3.117 20 5 GGBDMN Cc1ccnc(-c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)cc2)n1 ZINC000115312533 1412644941 /nfs/dbraw/zinc/64/49/41/1412644941.db2.gz SBUCTTZVTBSGRC-UHFFFAOYSA-N 0 1 384.417 3.469 20 5 GGBDMN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CCCN(c2ccccc2)C1 ZINC000115457517 1412682492 /nfs/dbraw/zinc/68/24/92/1412682492.db2.gz AZEZXQHCGFGAGK-INIZCTEOSA-N 0 1 379.420 3.212 20 5 GGBDMN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCN(c2ccccc2)C1 ZINC000115457514 1412682625 /nfs/dbraw/zinc/68/26/25/1412682625.db2.gz AZEZXQHCGFGAGK-MRXNPFEDSA-N 0 1 379.420 3.212 20 5 GGBDMN O=C(CCc1ccccc1)N1CCCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000177288752 1428673064 /nfs/dbraw/zinc/67/30/64/1428673064.db2.gz ALXRWOPAIUWTLT-UHFFFAOYSA-N 0 1 397.475 3.141 20 5 GGBDMN O=C(CCc1ccccc1)N1CCCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000177289577 1428673586 /nfs/dbraw/zinc/67/35/86/1428673586.db2.gz NBXSJOJBLSAEMS-UHFFFAOYSA-N 0 1 397.475 3.141 20 5 GGBDMN O=C(CCc1ccccc1)N1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000177283853 1428670201 /nfs/dbraw/zinc/67/02/01/1428670201.db2.gz XQESJWVTRUDBNC-UHFFFAOYSA-N 0 1 381.476 3.304 20 5 GGBDMN C[C@@H](c1ccccc1)N1CCC(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000116357832 1412852433 /nfs/dbraw/zinc/85/24/33/1412852433.db2.gz BFVSYJHNHVSATC-HNNXBMFYSA-N 0 1 389.477 3.099 20 5 GGBDMN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000177309771 1428681839 /nfs/dbraw/zinc/68/18/39/1428681839.db2.gz KKDDLCKBULQFLV-RNUGCUGFSA-N 0 1 386.433 3.042 20 5 GGBDMN CC(=O)N(Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(C)C ZINC000116710267 1412900301 /nfs/dbraw/zinc/90/03/01/1412900301.db2.gz PYWRRNTUYQOYEZ-UHFFFAOYSA-N 0 1 391.449 3.153 20 5 GGBDMN O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1ccc2[nH]nnc2c1 ZINC000117089887 1412997318 /nfs/dbraw/zinc/99/73/18/1412997318.db2.gz OOMDKHSXFRDUBP-UHFFFAOYSA-N 0 1 384.395 3.169 20 5 GGBDMN O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1ccc2nn[nH]c2c1 ZINC000117089887 1412997325 /nfs/dbraw/zinc/99/73/25/1412997325.db2.gz OOMDKHSXFRDUBP-UHFFFAOYSA-N 0 1 384.395 3.169 20 5 GGBDMN O=C(CSc1nc(-c2ccccn2)n[nH]1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000117114719 1413001246 /nfs/dbraw/zinc/00/12/46/1413001246.db2.gz FFPBWXONCXZQIN-UHFFFAOYSA-N 0 1 390.812 3.159 20 5 GGBDMN O=C(CSc1nc(-c2ccccn2)n[nH]1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000117116057 1413002326 /nfs/dbraw/zinc/00/23/26/1413002326.db2.gz CZYFESKTEYAVGW-UHFFFAOYSA-N 0 1 390.812 3.159 20 5 GGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117312589 1413024307 /nfs/dbraw/zinc/02/43/07/1413024307.db2.gz CDVLKDHNMGHANE-UHFFFAOYSA-N 0 1 396.247 3.428 20 5 GGBDMN Cc1ccccc1N1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000117333892 1413026361 /nfs/dbraw/zinc/02/63/61/1413026361.db2.gz TUAKGWGJOJVQNM-UHFFFAOYSA-N 0 1 396.447 3.023 20 5 GGBDMN O=[N+]([O-])c1ccc(OC2CCN(Cc3ccc(-n4ccnc4)nc3)CC2)cc1 ZINC000177353476 1428702629 /nfs/dbraw/zinc/70/26/29/1428702629.db2.gz DUOXWWGVXLKQOW-UHFFFAOYSA-N 0 1 379.420 3.219 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN([C@@H](C)c2cccnc2)CC1 ZINC000118836821 1413240340 /nfs/dbraw/zinc/24/03/40/1413240340.db2.gz NOIALQQYSLXIKJ-KRWDZBQOSA-N 0 1 397.479 3.006 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN([C@H](C)c2cccnc2)CC1 ZINC000118836823 1413240651 /nfs/dbraw/zinc/24/06/51/1413240651.db2.gz NOIALQQYSLXIKJ-QGZVFWFLSA-N 0 1 397.479 3.006 20 5 GGBDMN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000119151261 1413356587 /nfs/dbraw/zinc/35/65/87/1413356587.db2.gz NGGVBYLXMRHTRN-ZDUSSCGKSA-N 0 1 393.440 3.374 20 5 GGBDMN CCOC(=O)c1ccnc(NC2CCN([C@@H](C)c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000119293500 1413402091 /nfs/dbraw/zinc/40/20/91/1413402091.db2.gz DRFYLUSUHSHWFX-AWEZNQCLSA-N 0 1 399.451 3.199 20 5 GGBDMN O=C(NC[C@@H](O)c1cc2ccccc2s1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000119437562 1413446768 /nfs/dbraw/zinc/44/67/68/1413446768.db2.gz GSBSXPXAZQHGPK-CQSZACIVSA-N 0 1 382.401 3.149 20 5 GGBDMN COc1cc(CN(C)C[C@H]2CCCOC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000119756879 1413557201 /nfs/dbraw/zinc/55/72/01/1413557201.db2.gz DHVSZKJZDCXBCJ-GFCCVEGCSA-N 0 1 392.374 3.403 20 5 GGBDMN C[C@H](c1ccccc1)N1CCC(NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119775569 1413564354 /nfs/dbraw/zinc/56/43/54/1413564354.db2.gz AVBNICNIMKOANL-CYBMUJFWSA-N 0 1 395.506 3.160 20 5 GGBDMN C[C@@H](c1ccccc1)N1CCC(NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119775433 1413564679 /nfs/dbraw/zinc/56/46/79/1413564679.db2.gz AVBNICNIMKOANL-ZDUSSCGKSA-N 0 1 395.506 3.160 20 5 GGBDMN CN(C)[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000177440196 1428737359 /nfs/dbraw/zinc/73/73/59/1428737359.db2.gz MDHKJINLNOMRMR-OAHLLOKOSA-N 0 1 376.482 3.494 20 5 GGBDMN CCC[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CCN1CCOC ZINC000119937044 1413623964 /nfs/dbraw/zinc/62/39/64/1413623964.db2.gz DXJGDIKGTHGMCH-MRXNPFEDSA-N 0 1 378.473 3.176 20 5 GGBDMN Cc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)n(Cc2ccccc2)n1 ZINC000119980337 1413640075 /nfs/dbraw/zinc/64/00/75/1413640075.db2.gz CQYSRODWSWWZLV-UHFFFAOYSA-N 0 1 378.435 3.010 20 5 GGBDMN Cc1cccc(Cn2nccc2NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000119985251 1413642564 /nfs/dbraw/zinc/64/25/64/1413642564.db2.gz FNJVROBHXFGKOO-UHFFFAOYSA-N 0 1 378.435 3.010 20 5 GGBDMN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000120186742 1413723756 /nfs/dbraw/zinc/72/37/56/1413723756.db2.gz NGLDLJLQXQONQZ-UHFFFAOYSA-N 0 1 383.813 3.398 20 5 GGBDMN COc1ccc(-c2n[nH]c(CNC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)n2)cc1 ZINC000120199926 1413728060 /nfs/dbraw/zinc/72/80/60/1413728060.db2.gz HWMROSVDWQJTBI-UHFFFAOYSA-N 0 1 396.407 3.327 20 5 GGBDMN COc1ccc(-c2nc(CNC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)n[nH]2)cc1 ZINC000120199926 1413728064 /nfs/dbraw/zinc/72/80/64/1413728064.db2.gz HWMROSVDWQJTBI-UHFFFAOYSA-N 0 1 396.407 3.327 20 5 GGBDMN CC(=O)Nc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1Cl ZINC000120214935 1413735287 /nfs/dbraw/zinc/73/52/87/1413735287.db2.gz OOBSEFJYQKJOIG-UHFFFAOYSA-N 0 1 375.815 3.069 20 5 GGBDMN Cc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1N1CCSCC1 ZINC000120228146 1413740680 /nfs/dbraw/zinc/74/06/80/1413740680.db2.gz GCIGVJBFQZJFGC-UHFFFAOYSA-N 0 1 399.519 3.319 20 5 GGBDMN Cc1cnn(-c2ccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)cc2F)c1 ZINC000120259498 1413757171 /nfs/dbraw/zinc/75/71/71/1413757171.db2.gz DEBBLARCINRZJS-UHFFFAOYSA-N 0 1 382.398 3.090 20 5 GGBDMN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826500184 1428753552 /nfs/dbraw/zinc/75/35/52/1428753552.db2.gz NWAAUFOUCOHMDF-ACJLOTCBSA-N 0 1 396.426 3.415 20 5 GGBDMN 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O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130460516 1416381949 /nfs/dbraw/zinc/38/19/49/1416381949.db2.gz NCNSXQIPDPZQOX-CYBMUJFWSA-N 0 1 375.450 3.004 20 5 GGBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000130482442 1416386013 /nfs/dbraw/zinc/38/60/13/1416386013.db2.gz BLAZCWQJIQPLHJ-UHFFFAOYSA-N 0 1 397.840 3.059 20 5 GGBDMN O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1cc(F)ccc1Br ZINC000130491005 1416387332 /nfs/dbraw/zinc/38/73/32/1416387332.db2.gz ITCCLGCNQCALDU-UHFFFAOYSA-N 0 1 393.165 3.436 20 5 GGBDMN C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000131373567 1416547107 /nfs/dbraw/zinc/54/71/07/1416547107.db2.gz JYCJYCRWGYNUOX-UHFFFAOYSA-N 0 1 383.448 3.285 20 5 GGBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000131435995 1416557760 /nfs/dbraw/zinc/55/77/60/1416557760.db2.gz SCXFTVADMQRNRP-ZDUSSCGKSA-N 0 1 388.399 3.145 20 5 GGBDMN Cc1cc(C)n(-c2ccccc2CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000131629348 1416587119 /nfs/dbraw/zinc/58/71/19/1416587119.db2.gz SAFLHFCYCJJIMK-UHFFFAOYSA-N 0 1 390.403 3.204 20 5 GGBDMN CN(c1ccccc1)c1ccc(CNC[C@@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000131764816 1416615551 /nfs/dbraw/zinc/61/55/51/1416615551.db2.gz URFFCTVEZGXXOT-KRWDZBQOSA-N 0 1 389.477 3.030 20 5 GGBDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000131895982 1416644543 /nfs/dbraw/zinc/64/45/43/1416644543.db2.gz NWKKCEJNVUGDMO-HNNXBMFYSA-N 0 1 383.452 3.015 20 5 GGBDMN COc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000131976206 1416664310 /nfs/dbraw/zinc/66/43/10/1416664310.db2.gz JHCXXAAOHAVBQS-MRXNPFEDSA-N 0 1 383.448 3.340 20 5 GGBDMN COc1cc(OC)c(OC)cc1C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000132068467 1416687382 /nfs/dbraw/zinc/68/73/82/1416687382.db2.gz KEEOCFRNOYZWDA-UHFFFAOYSA-N 0 1 392.456 3.118 20 5 GGBDMN COc1cc(OC)c(OC)cc1CN(CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000132068467 1416687387 /nfs/dbraw/zinc/68/73/87/1416687387.db2.gz KEEOCFRNOYZWDA-UHFFFAOYSA-N 0 1 392.456 3.118 20 5 GGBDMN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-n1cccn1 ZINC000132325372 1416736360 /nfs/dbraw/zinc/73/63/60/1416736360.db2.gz LNEIBGOYRLKFPJ-UHFFFAOYSA-N 0 1 376.369 3.029 20 5 GGBDMN COc1cccc([C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])N2CCCC2)c1 ZINC000132395795 1416751519 /nfs/dbraw/zinc/75/15/19/1416751519.db2.gz BMSSALJUSVEEMJ-IBGZPJMESA-N 0 1 387.411 3.309 20 5 GGBDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000132414694 1416755675 /nfs/dbraw/zinc/75/56/75/1416755675.db2.gz CWBMFIGLDUDBSG-HNNXBMFYSA-N 0 1 383.452 3.015 20 5 GGBDMN O=c1ccc([N+](=O)[O-])cn1CCN(Cc1cc(F)ccc1F)C1CCCC1 ZINC000132519344 1416776621 /nfs/dbraw/zinc/77/66/21/1416776621.db2.gz DVYMLUNGWOSEII-UHFFFAOYSA-N 0 1 377.391 3.480 20 5 GGBDMN CCCCNC(=O)C1(NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCCCC1 ZINC000132834106 1416820780 /nfs/dbraw/zinc/82/07/80/1416820780.db2.gz PTGDOWLUUAPPAR-UHFFFAOYSA-N 0 1 390.484 3.051 20 5 GGBDMN COC(=O)c1ccc(CNC(=O)[C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178679437 1429139183 /nfs/dbraw/zinc/13/91/83/1429139183.db2.gz FNKQUOKOANDBIS-CABCVRRESA-N 0 1 399.447 3.045 20 5 GGBDMN COc1cc(OC)cc(N2CC[C@H](N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)c1 ZINC000178681396 1429139248 /nfs/dbraw/zinc/13/92/48/1429139248.db2.gz IVXOQCPKQMULIK-KUHUBIRLSA-N 0 1 399.447 3.377 20 5 GGBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000178681053 1429139387 /nfs/dbraw/zinc/13/93/87/1429139387.db2.gz POCIORVXODDFAT-KGLIPLIRSA-N 0 1 385.420 3.352 20 5 GGBDMN COc1cc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1S(C)(=O)=O ZINC000178685310 1429140677 /nfs/dbraw/zinc/14/06/77/1429140677.db2.gz KXOOCGGAJKDDSR-QWHCGFSZSA-N 0 1 378.450 3.419 20 5 GGBDMN Cc1ccc([C@@H](C)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000133839986 1416974494 /nfs/dbraw/zinc/97/44/94/1416974494.db2.gz MMRLOLZWLYAWRP-CQSZACIVSA-N 0 1 377.466 3.004 20 5 GGBDMN CCOC(=O)c1ccnc(NC[C@@H](c2ccc(C)o2)N2CCCC2)c1[N+](=O)[O-] ZINC000133911384 1416993128 /nfs/dbraw/zinc/99/31/28/1416993128.db2.gz OHKAAIHXKHVSAP-HNNXBMFYSA-N 0 1 388.424 3.317 20 5 GGBDMN O=C1C(=Cc2cc(O)ccc2[N+](=O)[O-])NC(=S)N1c1ccccc1Cl ZINC000178723784 1429152666 /nfs/dbraw/zinc/15/26/66/1429152666.db2.gz YUBAGPGQVLPMIL-WQLSENKSSA-N 0 1 375.793 3.216 20 5 GGBDMN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000134651696 1417106164 /nfs/dbraw/zinc/10/61/64/1417106164.db2.gz HQZVNJPTXPUBPK-GJZGRUSLSA-N 0 1 379.457 3.351 20 5 GGBDMN CCS(=O)(=O)Nc1ccc([C@@H](C)NCc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000178729800 1429153265 /nfs/dbraw/zinc/15/32/65/1429153265.db2.gz DZGCBXMIQUMLTE-CYBMUJFWSA-N 0 1 393.465 3.216 20 5 GGBDMN Cc1cn2c(nc(C)c2CN(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)s1 ZINC000134753981 1417120751 /nfs/dbraw/zinc/12/07/51/1417120751.db2.gz DQTMUYJHLSPHKM-UHFFFAOYSA-N 0 1 384.421 3.069 20 5 GGBDMN O=C(CCN(Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccc2c(c1)OCO2 ZINC000135219113 1417190015 /nfs/dbraw/zinc/19/00/15/1417190015.db2.gz JIKOAPLSJMPFKC-UHFFFAOYSA-N 0 1 383.404 3.317 20 5 GGBDMN C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)C[C@@H]1CCOC1 ZINC000178786082 1429169637 /nfs/dbraw/zinc/16/96/37/1429169637.db2.gz SWHXPWKIBKATQY-STQMWFEESA-N 0 1 390.465 3.014 20 5 GGBDMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000135632986 1417250176 /nfs/dbraw/zinc/25/01/76/1417250176.db2.gz UJOHREOGABBTDS-UHFFFAOYSA-N 0 1 389.839 3.457 20 5 GGBDMN CC(C)n1cnnc1[C@@H]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000136060549 1417288972 /nfs/dbraw/zinc/28/89/72/1417288972.db2.gz YOPOPLDYBJAKLP-CQSZACIVSA-N 0 1 387.440 3.013 20 5 GGBDMN CN(C)Cc1ccc(CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1F ZINC000136169670 1417297587 /nfs/dbraw/zinc/29/75/87/1417297587.db2.gz FTCLDTFRGYPUDX-UHFFFAOYSA-N 0 1 386.427 3.063 20 5 GGBDMN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCCN1CCOCC1 ZINC000136228146 1417302801 /nfs/dbraw/zinc/30/28/01/1417302801.db2.gz CHSBZHFXMCRPIF-UHFFFAOYSA-N 0 1 395.525 3.185 20 5 GGBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000137374269 1417382695 /nfs/dbraw/zinc/38/26/95/1417382695.db2.gz YRGXLMDVVKYQMF-LLVKDONJSA-N 0 1 397.366 3.200 20 5 GGBDMN O=[N+]([O-])c1ccc(OCCN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000138210401 1417407453 /nfs/dbraw/zinc/40/74/53/1417407453.db2.gz WQOARBVHABOYKL-UHFFFAOYSA-N 0 1 387.392 3.425 20 5 GGBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC([C@@H](O)C(F)(F)F)CC3)o2)c1 ZINC000140900401 1417521085 /nfs/dbraw/zinc/52/10/85/1417521085.db2.gz OOIKKDCXDGPYHE-QGZVFWFLSA-N 0 1 399.369 3.428 20 5 GGBDMN CNc1ccc(C(=O)Nc2cccc(CN3CCSCC3)c2)cc1[N+](=O)[O-] ZINC000146043659 1417708180 /nfs/dbraw/zinc/70/81/80/1417708180.db2.gz GUOVDSMNTYPHTD-UHFFFAOYSA-N 0 1 386.477 3.438 20 5 GGBDMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000147395602 1417746663 /nfs/dbraw/zinc/74/66/63/1417746663.db2.gz AYXFGRWRSMQWPD-UHFFFAOYSA-N 0 1 386.477 3.287 20 5 GGBDMN COc1cccc([C@@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)N2CCCC2)c1 ZINC000149844365 1417780711 /nfs/dbraw/zinc/78/07/11/1417780711.db2.gz KQDBWYBOVMKNSL-HXUWFJFHSA-N 0 1 383.448 3.479 20 5 GGBDMN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826500433 1429214082 /nfs/dbraw/zinc/21/40/82/1429214082.db2.gz YHVPNKQQHUWGNB-FZKQIMNGSA-N 0 1 396.426 3.415 20 5 GGBDMN O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000150981383 1417848662 /nfs/dbraw/zinc/84/86/62/1417848662.db2.gz SJMHLBDFVSIUNS-MOPGFXCFSA-N 0 1 395.459 3.427 20 5 GGBDMN COc1ccccc1[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000151226118 1417897715 /nfs/dbraw/zinc/89/77/15/1417897715.db2.gz QQRYEVCHONAJRL-HXUWFJFHSA-N 0 1 397.475 3.489 20 5 GGBDMN Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNCCn1cc([N+](=O)[O-])cn1 ZINC000151254346 1417904882 /nfs/dbraw/zinc/90/48/82/1417904882.db2.gz HWVNPYHIKJSECS-UHFFFAOYSA-N 0 1 395.250 3.382 20 5 GGBDMN C[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000151559454 1418024368 /nfs/dbraw/zinc/02/43/68/1418024368.db2.gz BJPIHLUAXLHANG-NSHDSACASA-N 0 1 391.380 3.428 20 5 GGBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CCN1CCCC1)c1ccccc1 ZINC000151673116 1418057436 /nfs/dbraw/zinc/05/74/36/1418057436.db2.gz FKEGJDOOBHNHLF-UHFFFAOYSA-N 0 1 389.477 3.194 20 5 GGBDMN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)ccc1[N+](=O)[O-] ZINC000179260133 1429307275 /nfs/dbraw/zinc/30/72/75/1429307275.db2.gz BOTSNFBJSFGXMC-UHFFFAOYSA-N 0 1 386.433 3.468 20 5 GGBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1OCC(=O)N(C)C ZINC000179320413 1429327976 /nfs/dbraw/zinc/32/79/76/1429327976.db2.gz RFJWGYGOQYJJOC-UHFFFAOYSA-N 0 1 385.464 3.472 20 5 GGBDMN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179357929 1429342382 /nfs/dbraw/zinc/34/23/82/1429342382.db2.gz QECJXQNSSXXROF-ZDUSSCGKSA-N 0 1 392.419 3.158 20 5 GGBDMN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179474171 1429386870 /nfs/dbraw/zinc/38/68/70/1429386870.db2.gz BYKUFAWTRLWKLW-NSHDSACASA-N 0 1 375.816 3.264 20 5 GGBDMN Cc1c(NC(=O)[C@H](C)N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cccc1[N+](=O)[O-] ZINC000179516285 1429405098 /nfs/dbraw/zinc/40/50/98/1429405098.db2.gz TVSZSDTUIDOBQP-ZFWWWQNUSA-N 0 1 398.467 3.105 20 5 GGBDMN Cc1c(NC(=O)[C@H](C)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cccc1[N+](=O)[O-] ZINC000179516285 1429405104 /nfs/dbraw/zinc/40/51/04/1429405104.db2.gz TVSZSDTUIDOBQP-ZFWWWQNUSA-N 0 1 398.467 3.105 20 5 GGBDMN CC[NH+](CC)Cc1ccccc1CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825416486 1429423583 /nfs/dbraw/zinc/42/35/83/1429423583.db2.gz JDZTUNHLEVERDD-UHFFFAOYSA-N 0 1 381.440 3.229 20 5 GGBDMN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccccc2CN2CCCC2)s1 ZINC000179564025 1429435884 /nfs/dbraw/zinc/43/58/84/1429435884.db2.gz MTKMKRZOQCFGEC-UHFFFAOYSA-N 0 1 395.506 3.268 20 5 GGBDMN C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(OC(F)F)c1 ZINC000179578976 1429449369 /nfs/dbraw/zinc/44/93/69/1429449369.db2.gz UXFADTBVYCBYAP-LBPRGKRZSA-N 0 1 391.374 3.436 20 5 GGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000179582517 1429452231 /nfs/dbraw/zinc/45/22/31/1429452231.db2.gz RTQSBRSXEKAUTH-NSHDSACASA-N 0 1 395.362 3.494 20 5 GGBDMN C[C@H](CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000179601107 1429464700 /nfs/dbraw/zinc/46/47/00/1429464700.db2.gz VWWWGJSEBKTGCC-CYBMUJFWSA-N 0 1 397.522 3.382 20 5 GGBDMN COc1cc(C)c([C@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000179626839 1429477423 /nfs/dbraw/zinc/47/74/23/1429477423.db2.gz IVVUWOXCVIUYSJ-AWEZNQCLSA-N 0 1 399.447 3.160 20 5 GGBDMN COc1ccc([C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)N2CCCCC2)cc1 ZINC000152318408 1422070912 /nfs/dbraw/zinc/07/09/12/1422070912.db2.gz GJUAPAIYWQCRCU-OAQYLSRUSA-N 0 1 397.475 3.489 20 5 GGBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824332943 1429526740 /nfs/dbraw/zinc/52/67/40/1429526740.db2.gz 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C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(N2CCCC2=O)c1 ZINC000181404235 1430289953 /nfs/dbraw/zinc/28/99/53/1430289953.db2.gz DEWYVDFFCALJKR-CABCVRRESA-N 0 1 396.447 3.399 20 5 GGBDMN COc1cccc2[nH]cc(CC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)c21 ZINC000181423277 1430295146 /nfs/dbraw/zinc/29/51/46/1430295146.db2.gz PZJDOIPGLWSTSN-UHFFFAOYSA-N 0 1 392.375 3.051 20 5 GGBDMN COC[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(F)c(F)c1 ZINC000181423871 1430295304 /nfs/dbraw/zinc/29/53/04/1430295304.db2.gz CEOXBDIEXZQXQB-SFHVURJKSA-N 0 1 393.390 3.487 20 5 GGBDMN C[C@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000181426502 1430296098 /nfs/dbraw/zinc/29/60/98/1430296098.db2.gz DWYDGFFTIBAHCU-GJZGRUSLSA-N 0 1 396.447 3.399 20 5 GGBDMN COC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc(F)c(F)c1 ZINC000181443215 1430300510 /nfs/dbraw/zinc/30/05/10/1430300510.db2.gz OCDRQLKCCUPPHT-SFHVURJKSA-N 0 1 393.390 3.487 20 5 GGBDMN C[C@@H](NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)c1cccc([N+](=O)[O-])c1 ZINC000181493929 1430310065 /nfs/dbraw/zinc/31/00/65/1430310065.db2.gz CICKSUMGDISIIC-DOMZBBRYSA-N 0 1 384.440 3.241 20 5 GGBDMN CC[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1C)c1cccc(S(N)(=O)=O)c1 ZINC000181746976 1430351912 /nfs/dbraw/zinc/35/19/12/1430351912.db2.gz AGQXILVNOFPVSV-FZKQIMNGSA-N 0 1 377.466 3.353 20 5 GGBDMN Cc1ccc([C@H](C)NCC(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000181808527 1430364947 /nfs/dbraw/zinc/36/49/47/1430364947.db2.gz BIQGQYPTMZJWED-ZWKOTPCHSA-N 0 1 396.491 3.197 20 5 GGBDMN COC(=O)c1ccccc1N(C)C(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181817872 1430366390 /nfs/dbraw/zinc/36/63/90/1430366390.db2.gz DTEWKAICCMRGSU-AWEZNQCLSA-N 0 1 385.420 3.003 20 5 GGBDMN Cc1ccc([C@H](C)NCC(=O)NCc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000181822773 1430367662 /nfs/dbraw/zinc/36/76/62/1430367662.db2.gz ZJVQRHWIJAVDGA-ZDUSSCGKSA-N 0 1 393.390 3.472 20 5 GGBDMN Cc1ccc([C@H](C)NCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000181833298 1430369223 /nfs/dbraw/zinc/36/92/23/1430369223.db2.gz LCKHFJRTLYZSDG-INIZCTEOSA-N 0 1 398.463 3.029 20 5 GGBDMN Cc1ccc(OC2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000181891438 1430378631 /nfs/dbraw/zinc/37/86/31/1430378631.db2.gz WEFQVBAMOZFFOM-QGZVFWFLSA-N 0 1 386.448 3.186 20 5 GGBDMN C[C@H](N[C@@H](CC(N)=O)C1CCCCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000182036044 1430399551 /nfs/dbraw/zinc/39/95/51/1430399551.db2.gz DXUUJCRBJGPBLB-LRDDRELGSA-N 0 1 387.440 3.120 20 5 GGBDMN C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC[N@H+]1Cc1ccccc1 ZINC000182036923 1430399759 /nfs/dbraw/zinc/39/97/59/1430399759.db2.gz XWMLSRFHWPMBIE-WBVHZDCISA-N 0 1 383.448 3.426 20 5 GGBDMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000182064508 1430404704 /nfs/dbraw/zinc/40/47/04/1430404704.db2.gz FGMWBTMFYDOFJZ-UHFFFAOYSA-N 0 1 389.839 3.457 20 5 GGBDMN O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000182123835 1430415846 /nfs/dbraw/zinc/41/58/46/1430415846.db2.gz OLIAVEPJBJUURC-XLIONFOSSA-N 0 1 395.459 3.427 20 5 GGBDMN O=C(C[C@H]1CCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000182200435 1430428792 /nfs/dbraw/zinc/42/87/92/1430428792.db2.gz OTQDKTGINXAPJT-CABCVRRESA-N 0 1 390.461 3.133 20 5 GGBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000182263474 1430439329 /nfs/dbraw/zinc/43/93/29/1430439329.db2.gz FXDJQDPXZWMZOP-RDJZCZTQSA-N 0 1 392.839 3.141 20 5 GGBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000182263458 1430439348 /nfs/dbraw/zinc/43/93/48/1430439348.db2.gz FXDJQDPXZWMZOP-WBVHZDCISA-N 0 1 392.839 3.141 20 5 GGBDMN CN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000182265333 1430439667 /nfs/dbraw/zinc/43/96/67/1430439667.db2.gz OUYVBXJUZCSAOD-KRWDZBQOSA-N 0 1 397.431 3.060 20 5 GGBDMN CN(CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)Cc1ccc(F)cc1 ZINC000182301139 1430445090 /nfs/dbraw/zinc/44/50/90/1430445090.db2.gz QICGKVJHSGFPQE-UHFFFAOYSA-N 0 1 397.353 3.197 20 5 GGBDMN CC(=O)Nc1cccc([C@H](C)NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000182529564 1430484247 /nfs/dbraw/zinc/48/42/47/1430484247.db2.gz OQECFXUEXAWPCJ-NSHDSACASA-N 0 1 390.827 3.496 20 5 GGBDMN Cc1cc([C@@H](C)NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c(C)s1 ZINC000182738718 1430530660 /nfs/dbraw/zinc/53/06/60/1430530660.db2.gz WMZUPTYASNTKGQ-SNVBAGLBSA-N 0 1 377.422 3.291 20 5 GGBDMN Cc1ccc([C@H](CNCc2ccc([N+](=O)[O-])cc2Cl)N2CCOCC2)o1 ZINC000183411251 1430704374 /nfs/dbraw/zinc/70/43/74/1430704374.db2.gz GYSNCOZWBZJXBX-KRWDZBQOSA-N 0 1 379.844 3.313 20 5 GGBDMN COc1cc(F)c([C@@H](C)NCCC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000183506792 1430730456 /nfs/dbraw/zinc/73/04/56/1430730456.db2.gz JFNYYBPLMITEET-GFCCVEGCSA-N 0 1 391.399 3.431 20 5 GGBDMN CCCN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000183551074 1430740606 /nfs/dbraw/zinc/74/06/06/1430740606.db2.gz YUSQDHLTHAPQQE-QGZVFWFLSA-N 0 1 397.479 3.089 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](c1nc(C)cs1)C1CC1 ZINC000183561853 1430742369 /nfs/dbraw/zinc/74/23/69/1430742369.db2.gz OXZWTJORVANCRO-QGZVFWFLSA-N 0 1 390.465 3.438 20 5 GGBDMN CCOc1cccc(N2CCC(CCCN3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000184146230 1430847129 /nfs/dbraw/zinc/84/71/29/1430847129.db2.gz VFQUYTLNUOAIQI-UHFFFAOYSA-N 0 1 377.485 3.322 20 5 GGBDMN Cc1ccc(CS(=O)(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1F ZINC000184206541 1430856167 /nfs/dbraw/zinc/85/61/67/1430856167.db2.gz ZIGPVLLMXBYLAE-UHFFFAOYSA-N 0 1 390.396 3.374 20 5 GGBDMN O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000184323898 1430873224 /nfs/dbraw/zinc/87/32/24/1430873224.db2.gz CVMBDAPVULZGQT-UHFFFAOYSA-N 0 1 398.250 3.019 20 5 GGBDMN Cc1c(-c2cc(CN3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)on2)cnn1C ZINC000184587718 1430910827 /nfs/dbraw/zinc/91/08/27/1430910827.db2.gz AWFLWWNZRRVQAA-UHFFFAOYSA-N 0 1 397.435 3.335 20 5 GGBDMN CCc1ccc([C@@H](COC)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000184832556 1430995923 /nfs/dbraw/zinc/99/59/23/1430995923.db2.gz PFAQKWZDIFWUNK-QGZVFWFLSA-N 0 1 375.425 3.365 20 5 GGBDMN CCc1ccc([C@H](COC)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000184863109 1431006211 /nfs/dbraw/zinc/00/62/11/1431006211.db2.gz HMXLQAFIIPJOOX-INIZCTEOSA-N 0 1 391.424 3.065 20 5 GGBDMN COc1cccc([C@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)N(C)C)c1 ZINC000184912298 1431019338 /nfs/dbraw/zinc/01/93/38/1431019338.db2.gz YQJWWTDOOKQUCY-DJJJIMSYSA-N 0 1 389.427 3.265 20 5 GGBDMN C[C@@H](C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000185038415 1431046660 /nfs/dbraw/zinc/04/66/60/1431046660.db2.gz ZDKMGQHIMXNGSP-XIKOKIGWSA-N 0 1 377.391 3.396 20 5 GGBDMN C[C@H](C(=O)NC[C@H](c1ccc(F)cc1)N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000185038430 1431046690 /nfs/dbraw/zinc/04/66/90/1431046690.db2.gz ZDKMGQHIMXNGSP-KPZWWZAWSA-N 0 1 377.391 3.396 20 5 GGBDMN Cc1c([C@@H](C)NCc2cccc(N3CCCS3(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000185300685 1431105375 /nfs/dbraw/zinc/10/53/75/1431105375.db2.gz POVFFFUYRNPOOP-OAHLLOKOSA-N 0 1 389.477 3.294 20 5 GGBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000185322742 1431113616 /nfs/dbraw/zinc/11/36/16/1431113616.db2.gz TZFFVQDNJSMOQL-DZGCQCFKSA-N 0 1 378.375 3.102 20 5 GGBDMN Cc1c([C@H](C)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000185351706 1431123179 /nfs/dbraw/zinc/12/31/79/1431123179.db2.gz GRCZHGVPJRXGIH-PXNSSMCTSA-N 0 1 397.475 3.024 20 5 GGBDMN CN(C)[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000185468862 1431152068 /nfs/dbraw/zinc/15/20/68/1431152068.db2.gz JJUSHBZNZOSTML-AWEZNQCLSA-N 0 1 397.357 3.433 20 5 GGBDMN CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185614910 1431184824 /nfs/dbraw/zinc/18/48/24/1431184824.db2.gz CJVSEHCUQMDCIV-KRWDZBQOSA-N 0 1 399.447 3.133 20 5 GGBDMN CCOc1cc(NC2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)ncn1 ZINC000185665495 1431200288 /nfs/dbraw/zinc/20/02/88/1431200288.db2.gz MZQVMPLPBJFKLD-FNORWQNLSA-N 0 1 383.452 3.373 20 5 GGBDMN Cc1c(NC(=O)CCN2CCC(C(=O)C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000186060701 1431322041 /nfs/dbraw/zinc/32/20/41/1431322041.db2.gz XDDQBRHWSUSKHM-UHFFFAOYSA-N 0 1 387.358 3.075 20 5 GGBDMN CSc1cccc(C(=O)NC[C@@H](C)N2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000186114099 1431333541 /nfs/dbraw/zinc/33/35/41/1431333541.db2.gz WNRMCJJYPSBWMX-CQSZACIVSA-N 0 1 385.489 3.493 20 5 GGBDMN CCO[C@@H]1C[C@](CO)(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1(C)C ZINC000186576763 1431458856 /nfs/dbraw/zinc/45/88/56/1431458856.db2.gz JIFKJGWFGVPINE-VQIMIIECSA-N 0 1 391.493 3.374 20 5 GGBDMN CCOC(=O)C[C@](C)(NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000186674898 1431489122 /nfs/dbraw/zinc/48/91/22/1431489122.db2.gz ABYYEJIBQDFPDM-SFHVURJKSA-N 0 1 376.413 3.102 20 5 GGBDMN C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC[N@H+]1Cc1ccccc1 ZINC000186869908 1431547904 /nfs/dbraw/zinc/54/79/04/1431547904.db2.gz JWUUBQQZSKJRTG-DOTOQJQBSA-N 0 1 383.448 3.426 20 5 GGBDMN COc1c(F)cc(S(=O)(=O)Nc2cnoc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000187597951 1431775861 /nfs/dbraw/zinc/77/58/61/1431775861.db2.gz NJJACUSUYPYZFH-UHFFFAOYSA-N 0 1 393.352 3.198 20 5 GGBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000187788786 1431812625 /nfs/dbraw/zinc/81/26/25/1431812625.db2.gz XNQAPAODLNQRRV-UHFFFAOYSA-N 0 1 382.464 3.309 20 5 GGBDMN CSc1cccc(C(=O)NC2CCN(Cc3cccnc3)CC2)c1[N+](=O)[O-] ZINC000188163214 1431855223 /nfs/dbraw/zinc/85/52/23/1431855223.db2.gz RALGDKVVMKOWSY-UHFFFAOYSA-N 0 1 386.477 3.106 20 5 GGBDMN C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000188325005 1431873375 /nfs/dbraw/zinc/87/33/75/1431873375.db2.gz VEHXEXZCWVAVLV-HNNXBMFYSA-N 0 1 389.477 3.328 20 5 GGBDMN O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188482751 1431887939 /nfs/dbraw/zinc/88/79/39/1431887939.db2.gz UFUIUXIYYMMRJO-UHFFFAOYSA-N 0 1 384.436 3.001 20 5 GGBDMN COc1cc(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cc([N+](=O)[O-])c1C ZINC000189076198 1432040372 /nfs/dbraw/zinc/04/03/72/1432040372.db2.gz PKPRCEVQLJXIBW-QGZVFWFLSA-N 0 1 375.400 3.084 20 5 GGBDMN CN(CCn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)Cc1ccc(F)cc1 ZINC000189264575 1432074361 /nfs/dbraw/zinc/07/43/61/1432074361.db2.gz YHZCJHLHTLOXFM-UHFFFAOYSA-N 0 1 382.395 3.090 20 5 GGBDMN CCc1[nH]nc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c1[N+](=O)[O-] ZINC000189628921 1432184417 /nfs/dbraw/zinc/18/44/17/1432184417.db2.gz VLHPULPXNZLLMB-UHFFFAOYSA-N 0 1 392.828 3.228 20 5 GGBDMN CC[C@](C)(O)CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000189731926 1432217425 /nfs/dbraw/zinc/21/74/25/1432217425.db2.gz XKGBXKBJZPLIRH-QFIPXVFZSA-N 0 1 397.475 3.147 20 5 GGBDMN CC[C@@](C)(O)CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000189731945 1432217474 /nfs/dbraw/zinc/21/74/74/1432217474.db2.gz XKGBXKBJZPLIRH-JOCHJYFZSA-N 0 1 397.475 3.147 20 5 GGBDMN O=C1[C@H](NCc2cccc([N+](=O)[O-])c2)CCCN1Cc1ccc(F)cc1F ZINC000189800827 1432238993 /nfs/dbraw/zinc/23/89/93/1432238993.db2.gz IBBAKYHVTQXJHQ-GOSISDBHSA-N 0 1 375.375 3.154 20 5 GGBDMN C[C@H](O)CN1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000189849160 1432252810 /nfs/dbraw/zinc/25/28/10/1432252810.db2.gz DTLMIZZOEUPBER-ZDUSSCGKSA-N 0 1 379.844 3.007 20 5 GGBDMN CCc1ccc([C@H](COC)NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])o1 ZINC000190010043 1432304492 /nfs/dbraw/zinc/30/44/92/1432304492.db2.gz CWDZQSRPAPSDQY-AWEZNQCLSA-N 0 1 382.438 3.033 20 5 GGBDMN CC(C)c1ccc(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000190343629 1432364748 /nfs/dbraw/zinc/36/47/48/1432364748.db2.gz UDKJJUHRKGHQRX-RBUKOAKNSA-N 0 1 397.475 3.083 20 5 GGBDMN CC(C)c1ccc(C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000190343629 1432364752 /nfs/dbraw/zinc/36/47/52/1432364752.db2.gz UDKJJUHRKGHQRX-RBUKOAKNSA-N 0 1 397.475 3.083 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(c1ccccc1)C1CCN(C)CC1 ZINC000190384848 1432371344 /nfs/dbraw/zinc/37/13/44/1432371344.db2.gz OYTQBDAGTZEDER-UHFFFAOYSA-N 0 1 389.477 3.193 20 5 GGBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(c1ccccc1)C1CCN(C)CC1 ZINC000190387466 1432371701 /nfs/dbraw/zinc/37/17/01/1432371701.db2.gz VUFHJPDDOQPQML-UHFFFAOYSA-N 0 1 389.477 3.193 20 5 GGBDMN CC(C)c1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1[N+](=O)[O-] ZINC000190511758 1432395232 /nfs/dbraw/zinc/39/52/32/1432395232.db2.gz FKVWRRHPFFZKPI-UHFFFAOYSA-N 0 1 383.452 3.117 20 5 GGBDMN COc1cc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)cc([N+](=O)[O-])c1C ZINC000190967694 1432539965 /nfs/dbraw/zinc/53/99/65/1432539965.db2.gz HOVZVHINAZYEDO-KRWDZBQOSA-N 0 1 387.436 3.380 20 5 GGBDMN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc(-c2ccccc2)nn1 ZINC000191035927 1432554252 /nfs/dbraw/zinc/55/42/52/1432554252.db2.gz HOCLOELQYCQBAB-UHFFFAOYSA-N 0 1 384.417 3.036 20 5 GGBDMN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000191186999 1432585819 /nfs/dbraw/zinc/58/58/19/1432585819.db2.gz XYSDQRBWBSIEMJ-ALKREAHSSA-N 0 1 385.420 3.066 20 5 GGBDMN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000191186966 1432586163 /nfs/dbraw/zinc/58/61/63/1432586163.db2.gz XYSDQRBWBSIEMJ-OGWOLHLISA-N 0 1 385.420 3.066 20 5 GGBDMN CCc1cc(C2CC2)nc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000191963407 1432768888 /nfs/dbraw/zinc/76/88/88/1432768888.db2.gz TYPXZGDEIGORSL-UHFFFAOYSA-N 0 1 376.438 3.242 20 5 GGBDMN O=C(CN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000192024398 1432780865 /nfs/dbraw/zinc/78/08/65/1432780865.db2.gz YREHWXIKDJQNGB-CRAIPNDOSA-N 0 1 375.812 3.307 20 5 GGBDMN CN(C(=O)CN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000192024008 1432780868 /nfs/dbraw/zinc/78/08/68/1432780868.db2.gz MZGGJJUFUUPMOA-IEBWSBKVSA-N 0 1 389.839 3.331 20 5 GGBDMN NC(=O)c1ccc(CN[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000192093481 1432797193 /nfs/dbraw/zinc/79/71/93/1432797193.db2.gz CXVWGRFYCYDBTP-DOTOQJQBSA-N 0 1 393.802 3.106 20 5 GGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192111468 1432799884 /nfs/dbraw/zinc/79/98/84/1432799884.db2.gz QKJQKPPZFNXCDP-PKOBYXMFSA-N 0 1 391.374 3.240 20 5 GGBDMN CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000192490242 1432850333 /nfs/dbraw/zinc/85/03/33/1432850333.db2.gz UNGXYZMXENWVRW-HUUCEWRRSA-N 0 1 387.484 3.341 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1[N+](=O)[O-] ZINC000192493640 1432850814 /nfs/dbraw/zinc/85/08/14/1432850814.db2.gz PYOWLAVFILFPCT-CQSZACIVSA-N 0 1 396.407 3.298 20 5 GGBDMN COc1cccc(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000192657681 1432872148 /nfs/dbraw/zinc/87/21/48/1432872148.db2.gz BZWLUHCNDYMDES-INIZCTEOSA-N 0 1 383.448 3.340 20 5 GGBDMN CN(C)S(=O)(=O)c1ccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192719362 1432879511 /nfs/dbraw/zinc/87/95/11/1432879511.db2.gz SZGWBKLFSCXQNK-IBGZPJMESA-N 0 1 389.477 3.012 20 5 GGBDMN Cn1ccnc1Sc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000192896671 1432904463 /nfs/dbraw/zinc/90/44/63/1432904463.db2.gz DWWFPHLNOLVDCK-UHFFFAOYSA-N 0 1 390.446 3.280 20 5 GGBDMN COc1ccc(CN2CC[C@@H](N[C@@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)cc1 ZINC000192998914 1432919587 /nfs/dbraw/zinc/91/95/87/1432919587.db2.gz KFAOYBCLYYMFQK-NHCUHLMSSA-N 0 1 395.459 3.372 20 5 GGBDMN COc1ccc(CN2CC[C@H](N[C@@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)cc1 ZINC000192998895 1432919663 /nfs/dbraw/zinc/91/96/63/1432919663.db2.gz KFAOYBCLYYMFQK-RTWAWAEBSA-N 0 1 395.459 3.372 20 5 GGBDMN COc1ccccc1N1CC[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000193019063 1432922902 /nfs/dbraw/zinc/92/29/02/1432922902.db2.gz BRWNMRAYHOUIMG-ROUUACIJSA-N 0 1 381.432 3.376 20 5 GGBDMN COc1ccc([C@H](CNC(=O)c2cccc(OC)c2[N+](=O)[O-])N2CCCC2)cc1 ZINC000193836553 1433069457 /nfs/dbraw/zinc/06/94/57/1433069457.db2.gz GIWVHDBBEUGEEG-SFHVURJKSA-N 0 1 399.447 3.179 20 5 GGBDMN C[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)N1CCc2sccc2C1 ZINC000193854475 1433073647 /nfs/dbraw/zinc/07/36/47/1433073647.db2.gz GSSZMGQWBITBJA-GFCCVEGCSA-N 0 1 386.477 3.400 20 5 GGBDMN COc1cc(CN2CCC[C@H](c3cc[nH]n3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000193999155 1433098550 /nfs/dbraw/zinc/09/85/50/1433098550.db2.gz MLDWUXZDGPMTFE-NSHDSACASA-N 0 1 382.367 3.308 20 5 GGBDMN CCN(C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000194029430 1433103772 /nfs/dbraw/zinc/10/37/72/1433103772.db2.gz ZDLWJZDSKROUDL-LBPRGKRZSA-N 0 1 390.362 3.209 20 5 GGBDMN CC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1 ZINC000194135885 1433123554 /nfs/dbraw/zinc/12/35/54/1433123554.db2.gz XSADVYJDNONBQQ-UHFFFAOYSA-N 0 1 399.222 3.361 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1Br ZINC000194134439 1433123563 /nfs/dbraw/zinc/12/35/63/1433123563.db2.gz PPDPTQHNBAOPEU-UHFFFAOYSA-N 0 1 375.175 3.297 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3n[nH]cc3c2)cc1Br ZINC000194175191 1433132313 /nfs/dbraw/zinc/13/23/13/1433132313.db2.gz CDBWWWUHJZIMGO-UHFFFAOYSA-N 0 1 397.210 3.034 20 5 GGBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(OCc3cccnc3)c2)c1 ZINC000194191107 1433135102 /nfs/dbraw/zinc/13/51/02/1433135102.db2.gz QJYPWNAAFFCICV-UHFFFAOYSA-N 0 1 385.401 3.370 20 5 GGBDMN CSc1ccc(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000194321242 1433160858 /nfs/dbraw/zinc/16/08/58/1433160858.db2.gz KORLBFRWYYDQFE-MRXNPFEDSA-N 0 1 377.441 3.489 20 5 GGBDMN CC[NH+](CC)Cc1ccccc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194337078 1433163558 /nfs/dbraw/zinc/16/35/58/1433163558.db2.gz ZXTYGEOOKDFMHQ-UHFFFAOYSA-N 0 1 395.456 3.054 20 5 GGBDMN COc1cccc(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000194442641 1433179017 /nfs/dbraw/zinc/17/90/17/1433179017.db2.gz MHZPUMRXPHUUHX-INIZCTEOSA-N 0 1 383.448 3.340 20 5 GGBDMN CCc1noc(-c2ccc(C)c(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)n1 ZINC000194643192 1433210215 /nfs/dbraw/zinc/21/02/15/1433210215.db2.gz FNHMHRMFRPSOOJ-UHFFFAOYSA-N 0 1 388.405 3.316 20 5 GGBDMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000194764808 1433227148 /nfs/dbraw/zinc/22/71/48/1433227148.db2.gz JVYHBNZIRVGBNR-HNNXBMFYSA-N 0 1 391.493 3.476 20 5 GGBDMN CCOC(=O)[C@@]1(C(C)C)CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000194853461 1433248913 /nfs/dbraw/zinc/24/89/13/1433248913.db2.gz MRTYPXHIRRUAKJ-YWZLYKJASA-N 0 1 391.468 3.141 20 5 GGBDMN CCOC(=O)[C@]1(C(C)C)CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000194853448 1433248926 /nfs/dbraw/zinc/24/89/26/1433248926.db2.gz MRTYPXHIRRUAKJ-MGPUTAFESA-N 0 1 391.468 3.141 20 5 GGBDMN CCCc1[nH]nc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000194939354 1433268893 /nfs/dbraw/zinc/26/88/93/1433268893.db2.gz KGZUWDDKQCVFQT-UHFFFAOYSA-N 0 1 388.399 3.145 20 5 GGBDMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000194971324 1433274791 /nfs/dbraw/zinc/27/47/91/1433274791.db2.gz NNHUBMXSBWGIKJ-INIZCTEOSA-N 0 1 392.375 3.451 20 5 GGBDMN COc1cc(C(=O)NCC(C)(C)N2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000195268203 1433313640 /nfs/dbraw/zinc/31/36/40/1433313640.db2.gz VTAFZYIMDBPJJG-UHFFFAOYSA-N 0 1 383.448 3.170 20 5 GGBDMN COc1ccccc1[C@@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])N1CCCC1 ZINC000195320895 1433318660 /nfs/dbraw/zinc/31/86/60/1433318660.db2.gz MRCNQFTUGWQLES-QGZVFWFLSA-N 0 1 399.447 3.179 20 5 GGBDMN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N(C)C(C)C ZINC000195342825 1433320941 /nfs/dbraw/zinc/32/09/41/1433320941.db2.gz IWBDBATWTYIAHD-UHFFFAOYSA-N 0 1 391.449 3.184 20 5 GGBDMN CCc1n[nH]c(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)c1[N+](=O)[O-] ZINC000195372623 1433323688 /nfs/dbraw/zinc/32/36/88/1433323688.db2.gz ZPGYTYSANPIYNO-KRWDZBQOSA-N 0 1 390.403 3.276 20 5 GGBDMN Cc1cc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc([N+](=O)[O-])c1 ZINC000195694066 1433344958 /nfs/dbraw/zinc/34/49/58/1433344958.db2.gz BILGSYQHMLHVMK-CALCHBBNSA-N 0 1 397.475 3.442 20 5 GGBDMN COc1cc(CNCCOc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1O ZINC000237183576 1433391717 /nfs/dbraw/zinc/39/17/17/1433391717.db2.gz XFQSRYGRWQYSPV-UHFFFAOYSA-N 0 1 386.326 3.496 20 5 GGBDMN C[C@H]1CN(C(=O)c2ccc(CNCc3ccccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000237548923 1433408795 /nfs/dbraw/zinc/40/87/95/1433408795.db2.gz IGUSIAOZGCRMMG-HOTGVXAUSA-N 0 1 383.448 3.134 20 5 GGBDMN COc1cc2c(c(CN3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)c1)O[C@@H](C)C2 ZINC000245716265 1433505049 /nfs/dbraw/zinc/50/50/49/1433505049.db2.gz HAFDWKMUZVHWTE-XJKSGUPXSA-N 0 1 384.436 3.008 20 5 GGBDMN Cc1c(NC(=O)[C@H](C)N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cccc1[N+](=O)[O-] ZINC000245775155 1433515863 /nfs/dbraw/zinc/51/58/63/1433515863.db2.gz TVSZSDTUIDOBQP-DZGCQCFKSA-N 0 1 398.467 3.105 20 5 GGBDMN Cc1c(NC(=O)[C@H](C)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cccc1[N+](=O)[O-] ZINC000245775155 1433515868 /nfs/dbraw/zinc/51/58/68/1433515868.db2.gz TVSZSDTUIDOBQP-DZGCQCFKSA-N 0 1 398.467 3.105 20 5 GGBDMN COc1ccc([C@H]2CCN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)cc1 ZINC000246018434 1433558406 /nfs/dbraw/zinc/55/84/06/1433558406.db2.gz KJJHHYVHWIVHOL-JXFKEZNVSA-N 0 1 381.432 3.198 20 5 GGBDMN O=C(NC[C@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000246245129 1433586005 /nfs/dbraw/zinc/58/60/05/1433586005.db2.gz IHLMQIXLSIQVBF-WOJBJXKFSA-N 0 1 398.463 3.304 20 5 GGBDMN COc1cccc(C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]2CCCO2)c1 ZINC000246365596 1433601640 /nfs/dbraw/zinc/60/16/40/1433601640.db2.gz XUZOAHAJICEMPT-NHCUHLMSSA-N 0 1 386.448 3.318 20 5 GGBDMN O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000246507246 1433623026 /nfs/dbraw/zinc/62/30/26/1433623026.db2.gz BXNUFNPGEQVOEP-IEBWSBKVSA-N 0 1 395.459 3.427 20 5 GGBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000246778494 1433664823 /nfs/dbraw/zinc/66/48/23/1433664823.db2.gz PWAQZBHNQJUQJY-NRFANRHFSA-N 0 1 396.491 3.012 20 5 GGBDMN CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000248197652 1433779506 /nfs/dbraw/zinc/77/95/06/1433779506.db2.gz LYCHQLJDDNAEKZ-RHSMWYFYSA-N 0 1 391.493 3.363 20 5 GGBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000248374853 1433789726 /nfs/dbraw/zinc/78/97/26/1433789726.db2.gz UORUJLIVLQPWPC-MOPGFXCFSA-N 0 1 386.448 3.016 20 5 GGBDMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000248401264 1433797828 /nfs/dbraw/zinc/79/78/28/1433797828.db2.gz LRSBECGFVBEELT-QVDMIQRCSA-N 0 1 383.448 3.187 20 5 GGBDMN O=C(C[C@@H]1CCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000248461051 1433804690 /nfs/dbraw/zinc/80/46/90/1433804690.db2.gz OTQDKTGINXAPJT-GJZGRUSLSA-N 0 1 390.461 3.133 20 5 GGBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000248469133 1433805370 /nfs/dbraw/zinc/80/53/70/1433805370.db2.gz UNZSRMYIEGTGEX-LSDHHAIUSA-N 0 1 392.839 3.141 20 5 GGBDMN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000248886139 1433827792 /nfs/dbraw/zinc/82/77/92/1433827792.db2.gz XYSDQRBWBSIEMJ-QOKNQOGYSA-N 0 1 385.420 3.066 20 5 GGBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000249035691 1433832780 /nfs/dbraw/zinc/83/27/80/1433832780.db2.gz TZFFVQDNJSMOQL-HIFRSBDPSA-N 0 1 378.375 3.102 20 5 GGBDMN CCc1ccc([C@@H]2CNCCN2C(=O)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000261608135 1433897226 /nfs/dbraw/zinc/89/72/26/1433897226.db2.gz BLMIQKQMSRVZJD-IBGZPJMESA-N 0 1 383.448 3.099 20 5 GGBDMN NC1(c2noc(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)CCCC1 ZINC000261791593 1433904121 /nfs/dbraw/zinc/90/41/21/1433904121.db2.gz OOZNXHOTXZRULB-UHFFFAOYSA-N 0 1 385.346 3.379 20 5 GGBDMN CC[C@@H](C(=O)[O-])N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000262368548 1433936757 /nfs/dbraw/zinc/93/67/57/1433936757.db2.gz JRYYFSGJWKFORU-INIZCTEOSA-N 0 1 389.477 3.304 20 5 GGBDMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000263522159 1434011163 /nfs/dbraw/zinc/01/11/63/1434011163.db2.gz ROEBSRSEDVNLPC-INIZCTEOSA-N 0 1 387.436 3.226 20 5 GGBDMN Cc1cc(NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000263565291 1434013439 /nfs/dbraw/zinc/01/34/39/1434013439.db2.gz VNFZBOMQLLUQFA-UHFFFAOYSA-N 0 1 384.436 3.191 20 5 GGBDMN Cc1cc(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000263565291 1434013443 /nfs/dbraw/zinc/01/34/43/1434013443.db2.gz VNFZBOMQLLUQFA-UHFFFAOYSA-N 0 1 384.436 3.191 20 5 GGBDMN O=C([O-])C[N@@H+](CC1CC1)C1CC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000263563071 1434013543 /nfs/dbraw/zinc/01/35/43/1434013543.db2.gz TUEHBBVSBSYJQW-UHFFFAOYSA-N 0 1 387.358 3.353 20 5 GGBDMN Cc1nn(CCC(=O)Nc2ccccc2-c2nnc(C(C)C)[nH]2)c(C)c1[N+](=O)[O-] ZINC000263741234 1434027783 /nfs/dbraw/zinc/02/77/83/1434027783.db2.gz AQJXIOMBZIFGLH-UHFFFAOYSA-N 0 1 397.439 3.345 20 5 GGBDMN Cc1[nH]nc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1[N+](=O)[O-] ZINC000264155382 1434076514 /nfs/dbraw/zinc/07/65/14/1434076514.db2.gz HMEKEXSPMBPPIU-CYBMUJFWSA-N 0 1 382.380 3.044 20 5 GGBDMN CCCc1[nH]nc(C(=O)Nc2cccc(CN3CCSCC3)c2)c1[N+](=O)[O-] ZINC000264703046 1434146132 /nfs/dbraw/zinc/14/61/32/1434146132.db2.gz XAYFLSZOENKRLN-UHFFFAOYSA-N 0 1 389.481 3.072 20 5 GGBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000265211573 1434200419 /nfs/dbraw/zinc/20/04/19/1434200419.db2.gz RNNMGFFOPOQPHQ-LSDHHAIUSA-N 0 1 396.447 3.399 20 5 GGBDMN COc1ccc(NC(=O)CCNC(C)(C)c2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000265467867 1434237113 /nfs/dbraw/zinc/23/71/13/1434237113.db2.gz YZOVBKMJEKZCAK-UHFFFAOYSA-N 0 1 378.454 3.222 20 5 GGBDMN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccco1)N1CCCC1 ZINC000266131247 1434305843 /nfs/dbraw/zinc/30/58/43/1434305843.db2.gz OKZIKOSNBBYSFA-KRWDZBQOSA-N 0 1 386.408 3.393 20 5 GGBDMN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000266157902 1434307293 /nfs/dbraw/zinc/30/72/93/1434307293.db2.gz SHKRYUHNRCMCNB-UHFFFAOYSA-N 0 1 391.431 3.329 20 5 GGBDMN CCCCCC(=O)NC1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000266533134 1434347228 /nfs/dbraw/zinc/34/72/28/1434347228.db2.gz NACYKYCIRHMCBL-UHFFFAOYSA-N 0 1 393.484 3.143 20 5 GGBDMN COc1ccc(OCCN2CCC(OC[C@H]3CCCCO3)CC2)c([N+](=O)[O-])c1 ZINC000267339337 1434423964 /nfs/dbraw/zinc/42/39/64/1434423964.db2.gz BYKKENOEMMNHDA-GOSISDBHSA-N 0 1 394.468 3.032 20 5 GGBDMN C[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000267408372 1434429906 /nfs/dbraw/zinc/42/99/06/1434429906.db2.gz HNANDLMOLUOOFD-KGLIPLIRSA-N 0 1 377.466 3.257 20 5 GGBDMN Cc1ccc([C@@H](C)NC(=O)NC2CCN(Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000267731881 1434459276 /nfs/dbraw/zinc/45/92/76/1434459276.db2.gz NFEPLGKZEZXZIT-MRXNPFEDSA-N 0 1 397.479 3.323 20 5 GGBDMN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268920945 1434571292 /nfs/dbraw/zinc/57/12/92/1434571292.db2.gz URFOSIHMKBOETN-KUHUBIRLSA-N 0 1 380.448 3.392 20 5 GGBDMN CN(C[C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1)C(=O)OC(C)(C)C ZINC000269168551 1434600336 /nfs/dbraw/zinc/60/03/36/1434600336.db2.gz GQGSUORUKCNMRM-CYBMUJFWSA-N 0 1 393.440 3.020 20 5 GGBDMN O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269178808 1434602477 /nfs/dbraw/zinc/60/24/77/1434602477.db2.gz KRIQCLNWKPBMHO-ZDUSSCGKSA-N 0 1 375.450 3.004 20 5 GGBDMN CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000269266623 1434615535 /nfs/dbraw/zinc/61/55/35/1434615535.db2.gz DKJQQZHNSOVGTM-UHFFFAOYSA-N 0 1 392.433 3.266 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC000269346177 1434628642 /nfs/dbraw/zinc/62/86/42/1434628642.db2.gz FDEHUJVVRUDMCX-CYBMUJFWSA-N 0 1 378.816 3.308 20 5 GGBDMN CC(C)c1n[n-]c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000269419608 1434642468 /nfs/dbraw/zinc/64/24/68/1434642468.db2.gz XDDSJQLJEJFBRT-LBPRGKRZSA-N 0 1 377.470 3.070 20 5 GGBDMN COc1ccc(CN(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1OC(F)F ZINC000269426639 1434643757 /nfs/dbraw/zinc/64/37/57/1434643757.db2.gz YSNJXWSWTZIONY-UHFFFAOYSA-N 0 1 398.366 3.324 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)Nc2cccc(CN3CCSCC3)c2)c1[N+](=O)[O-] ZINC000269436865 1434645860 /nfs/dbraw/zinc/64/58/60/1434645860.db2.gz OPZQJYLKGASOIE-UHFFFAOYSA-N 0 1 389.481 3.242 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000269510543 1434655045 /nfs/dbraw/zinc/65/50/45/1434655045.db2.gz OOZMXBVNJFOAAL-BXUZGUMPSA-N 0 1 376.388 3.183 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1[N+](=O)[O-] ZINC000269541437 1434657820 /nfs/dbraw/zinc/65/78/20/1434657820.db2.gz VIAGXEADBUJMBG-RPHGYIDUSA-N 0 1 378.454 3.012 20 5 GGBDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000269587805 1434661558 /nfs/dbraw/zinc/66/15/58/1434661558.db2.gz BYHMSMNHYHFFIY-INIZCTEOSA-N 0 1 397.479 3.057 20 5 GGBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000270006788 1434692915 /nfs/dbraw/zinc/69/29/15/1434692915.db2.gz QRJGOYNVVJEHNM-LBPRGKRZSA-N 0 1 378.816 3.211 20 5 GGBDMN Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000270156647 1434708122 /nfs/dbraw/zinc/70/81/22/1434708122.db2.gz SVPNHDMIYWAQPI-AWEZNQCLSA-N 0 1 396.451 3.404 20 5 GGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000270237111 1434715775 /nfs/dbraw/zinc/71/57/75/1434715775.db2.gz QWIPRWVIZNEUMK-CQSZACIVSA-N 0 1 390.403 3.126 20 5 GGBDMN CC(C)c1nc([C@H](C)Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000270633699 1434753954 /nfs/dbraw/zinc/75/39/54/1434753954.db2.gz GEYWNAWBMRNFFM-QMMMGPOBSA-N 0 1 389.384 3.006 20 5 GGBDMN COc1ccc(-c2nnc(NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])s2)cc1 ZINC000270723079 1434766437 /nfs/dbraw/zinc/76/64/37/1434766437.db2.gz WYKCLCKPJMPOJM-UHFFFAOYSA-N 0 1 388.409 3.221 20 5 GGBDMN CC(C)(C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000270884996 1434785074 /nfs/dbraw/zinc/78/50/74/1434785074.db2.gz OXHYNWAOFOLLGQ-CQSZACIVSA-N 0 1 383.452 3.274 20 5 GGBDMN C[C@H](N[C@@H](C)c1ccc([S@](C)=O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000271821359 1434852600 /nfs/dbraw/zinc/85/26/00/1434852600.db2.gz PEAWVZYPBMLFPA-VXLFJPSPSA-N 0 1 375.450 3.010 20 5 GGBDMN CCC[C@H](NC[C@](O)(c1nccn1C)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000272000569 1434864876 /nfs/dbraw/zinc/86/48/76/1434864876.db2.gz AHRBNAUHWQGPHF-HOCLYGCPSA-N 0 1 386.374 3.209 20 5 GGBDMN Nc1c(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cccc1[N+](=O)[O-] ZINC000272265667 1434882803 /nfs/dbraw/zinc/88/28/03/1434882803.db2.gz REDVSLPGFXZRQD-AWEZNQCLSA-N 0 1 398.467 3.363 20 5 GGBDMN Nc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1[N+](=O)[O-] ZINC000272302417 1434885809 /nfs/dbraw/zinc/88/58/09/1434885809.db2.gz WYVGPILLYAJZGN-HNNXBMFYSA-N 0 1 398.467 3.363 20 5 GGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000272460319 1434897804 /nfs/dbraw/zinc/89/78/04/1434897804.db2.gz CESFDLSOWHUFFB-UHFFFAOYSA-N 0 1 393.403 3.105 20 5 GGBDMN CN(C)[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000272483131 1434899629 /nfs/dbraw/zinc/89/96/29/1434899629.db2.gz CIJRMBLQPWWVKH-UXHICEINSA-N 0 1 397.454 3.449 20 5 GGBDMN CN(C)[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000272509209 1434902052 /nfs/dbraw/zinc/90/20/52/1434902052.db2.gz IRZKZFGTGBGECK-WOJBJXKFSA-N 0 1 397.454 3.449 20 5 GGBDMN CN(C)[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000272509202 1434902171 /nfs/dbraw/zinc/90/21/71/1434902171.db2.gz IRZKZFGTGBGECK-PMACEKPBSA-N 0 1 397.454 3.449 20 5 GGBDMN Cn1ccnc1[C@H](N[C@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272575043 1434909623 /nfs/dbraw/zinc/90/96/23/1434909623.db2.gz WXTBKAICAVWYNQ-PZJWPPBQSA-N 0 1 391.475 3.282 20 5 GGBDMN COc1ccccc1COC1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000272581126 1434910222 /nfs/dbraw/zinc/91/02/22/1434910222.db2.gz QKCISWOYQYUAGD-UHFFFAOYSA-N 0 1 386.404 3.130 20 5 GGBDMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272675439 1434921483 /nfs/dbraw/zinc/92/14/83/1434921483.db2.gz LZOMJESPEGTYJS-QWHCGFSZSA-N 0 1 393.440 3.066 20 5 GGBDMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272675438 1434921567 /nfs/dbraw/zinc/92/15/67/1434921567.db2.gz LZOMJESPEGTYJS-OLZOCXBDSA-N 0 1 393.440 3.066 20 5 GGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000272695741 1434923520 /nfs/dbraw/zinc/92/35/20/1434923520.db2.gz RREPBBGVQWLNHL-INIZCTEOSA-N 0 1 394.330 3.116 20 5 GGBDMN COc1ccc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1[N+](=O)[O-] ZINC000272813072 1434932917 /nfs/dbraw/zinc/93/29/17/1434932917.db2.gz JRBKQBGSAOBIOB-LBPRGKRZSA-N 0 1 386.412 3.010 20 5 GGBDMN O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000273435205 1434988646 /nfs/dbraw/zinc/98/86/46/1434988646.db2.gz WUDZTKQXFLBQDT-DYVFJYSZSA-N 0 1 384.367 3.260 20 5 GGBDMN O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000273435209 1434988720 /nfs/dbraw/zinc/98/87/20/1434988720.db2.gz WUDZTKQXFLBQDT-SUMWQHHRSA-N 0 1 384.367 3.260 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273534967 1434995168 /nfs/dbraw/zinc/99/51/68/1434995168.db2.gz RPNNCXJZRZJROL-CZUORRHYSA-N 0 1 398.387 3.072 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273534970 1434995200 /nfs/dbraw/zinc/99/52/00/1434995200.db2.gz RPNNCXJZRZJROL-XJKSGUPXSA-N 0 1 398.387 3.072 20 5 GGBDMN Cc1cc(C2CCN(S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000273821723 1435018278 /nfs/dbraw/zinc/01/82/78/1435018278.db2.gz CYAVPTHCWPOFSV-UHFFFAOYSA-N 0 1 398.872 3.156 20 5 GGBDMN O=[N+]([O-])c1cc(-c2nc([C@H]3CN4CCC[C@@H]4CO3)no2)cc(C(F)(F)F)c1 ZINC000274084287 1435042314 /nfs/dbraw/zinc/04/23/14/1435042314.db2.gz TVLLVKQASNHFOB-DGCLKSJQSA-N 0 1 384.314 3.199 20 5 GGBDMN O=[N+]([O-])c1cc(-c2nc([C@H]3CN4CCC[C@H]4CO3)no2)cc(C(F)(F)F)c1 ZINC000274084291 1435042320 /nfs/dbraw/zinc/04/23/20/1435042320.db2.gz TVLLVKQASNHFOB-WCQYABFASA-N 0 1 384.314 3.199 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000274459211 1435072656 /nfs/dbraw/zinc/07/26/56/1435072656.db2.gz WHGUCBWIIOOQQR-ZDUSSCGKSA-N 0 1 378.816 3.308 20 5 GGBDMN C[C@@H]1CN(Cc2ccccc2NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000274654358 1435083506 /nfs/dbraw/zinc/08/35/06/1435083506.db2.gz DETVQLIMFIWKDH-ZIAGYGMSSA-N 0 1 385.420 3.162 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](CCn1cncn1)c1ccc(C)cc1 ZINC000275665651 1435158033 /nfs/dbraw/zinc/15/80/33/1435158033.db2.gz BWNNQORQYMYAOU-IBGZPJMESA-N 0 1 381.436 3.425 20 5 GGBDMN CCOc1cc(CN2CCC[C@@H](c3nnc4ccccn43)C2)ccc1[N+](=O)[O-] ZINC000276931041 1435244276 /nfs/dbraw/zinc/24/42/76/1435244276.db2.gz QTNJFLWSIBGWLK-MRXNPFEDSA-N 0 1 381.436 3.416 20 5 GGBDMN COc1cc(C(=O)N2CC[C@@H](n3c(C)nc4c3CCCC4)C2)cc([N+](=O)[O-])c1C ZINC000277038072 1435254958 /nfs/dbraw/zinc/25/49/58/1435254958.db2.gz LUYPKTGMSKSCKV-MRXNPFEDSA-N 0 1 398.463 3.383 20 5 GGBDMN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2n[nH]c([C@@H](C)CC)n2)cc1OC ZINC000277147696 1435268898 /nfs/dbraw/zinc/26/88/98/1435268898.db2.gz VZWQLVSJVGQGLR-WDEREUQCSA-N 0 1 391.428 3.125 20 5 GGBDMN Cc1noc(C[C@@H](N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000277229710 1435281783 /nfs/dbraw/zinc/28/17/83/1435281783.db2.gz GPHSVRBTMXWJGP-SCLBCKFNSA-N 0 1 395.419 3.187 20 5 GGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000277717094 1435324081 /nfs/dbraw/zinc/32/40/81/1435324081.db2.gz XSJANZLYRXSXDA-UHFFFAOYSA-N 0 1 376.796 3.078 20 5 GGBDMN CCc1[nH]nc(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000278055985 1435354420 /nfs/dbraw/zinc/35/44/20/1435354420.db2.gz XNKRGYVNHYZXFU-DZGCQCFKSA-N 0 1 376.388 3.012 20 5 GGBDMN O=C(c1cccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1)N1CCOCC1 ZINC000278175680 1435366500 /nfs/dbraw/zinc/36/65/00/1435366500.db2.gz CWXMSPCRHWTQJN-NRFANRHFSA-N 0 1 395.459 3.234 20 5 GGBDMN Cn1cc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000278342379 1435381816 /nfs/dbraw/zinc/38/18/16/1435381816.db2.gz HTTLVPRSEUDECH-SUMWQHHRSA-N 0 1 398.385 3.131 20 5 GGBDMN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@@H](N2CC=CC2)C1 ZINC000278520011 1435396855 /nfs/dbraw/zinc/39/68/55/1435396855.db2.gz SILUQLRKLCLEQU-SNVBAGLBSA-N 0 1 378.301 3.094 20 5 GGBDMN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@H](N2CC=CC2)C1 ZINC000278520007 1435396904 /nfs/dbraw/zinc/39/69/04/1435396904.db2.gz SILUQLRKLCLEQU-JTQLQIEISA-N 0 1 378.301 3.094 20 5 GGBDMN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1CCCc2cn[nH]c21 ZINC000278635186 1435408166 /nfs/dbraw/zinc/40/81/66/1435408166.db2.gz LCJBWUAJQTZONQ-ZDUSSCGKSA-N 0 1 383.330 3.214 20 5 GGBDMN CC(C)c1ccc(C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000278833965 1435428738 /nfs/dbraw/zinc/42/87/38/1435428738.db2.gz JZFHSQKUYSCUOE-HNNXBMFYSA-N 0 1 375.469 3.044 20 5 GGBDMN O=C1[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCN1Cc1ccccn1 ZINC000278863155 1435432519 /nfs/dbraw/zinc/43/25/19/1435432519.db2.gz WLPBXHLBNVSPDV-WOJBJXKFSA-N 0 1 380.448 3.148 20 5 GGBDMN O=[N+]([O-])c1cnn(CCN2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000278906935 1435438363 /nfs/dbraw/zinc/43/83/63/1435438363.db2.gz SIAPWPLQHFGLJX-UHFFFAOYSA-N 0 1 392.459 3.442 20 5 GGBDMN CC1(C)C[C@@H](NCc2cccnc2N2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279102382 1435460455 /nfs/dbraw/zinc/46/04/55/1435460455.db2.gz OJVCZXZPSZIDOL-LJQANCHMSA-N 0 1 382.464 3.339 20 5 GGBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000279744708 1435537541 /nfs/dbraw/zinc/53/75/41/1435537541.db2.gz PKJUHGCQJPVJRD-UHFFFAOYSA-N 0 1 398.463 3.306 20 5 GGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(CCC(F)(F)F)CC(F)(F)F ZINC000279865545 1435554739 /nfs/dbraw/zinc/55/47/39/1435554739.db2.gz SPBQCSYYGGIEDZ-UHFFFAOYSA-N 0 1 384.236 3.428 20 5 GGBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000281077059 1435768915 /nfs/dbraw/zinc/76/89/15/1435768915.db2.gz CFFBYFFCGTYIOE-INIZCTEOSA-N 0 1 375.400 3.165 20 5 GGBDMN COc1cc(CN2CC[C@H](C(=O)N(C)c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000281083817 1435770861 /nfs/dbraw/zinc/77/08/61/1435770861.db2.gz JNTOCGSIHRSEQK-HNNXBMFYSA-N 0 1 399.447 3.097 20 5 GGBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCc2nc3ccc(F)cc3[nH]2)c1 ZINC000281777839 1435821673 /nfs/dbraw/zinc/82/16/73/1435821673.db2.gz ZVNLUOFCRBNMNG-UHFFFAOYSA-N 0 1 386.383 3.046 20 5 GGBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c1 ZINC000282747597 1435858819 /nfs/dbraw/zinc/85/88/19/1435858819.db2.gz BTFCGGOSJLDQMP-SFHVURJKSA-N 0 1 375.400 3.165 20 5 GGBDMN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000283026663 1435871090 /nfs/dbraw/zinc/87/10/90/1435871090.db2.gz PXCKOSIIMZVNLC-QGZVFWFLSA-N 0 1 384.436 3.390 20 5 GGBDMN CC(=O)c1cc(NCc2ccccc2CN2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000283733884 1435912801 /nfs/dbraw/zinc/91/28/01/1435912801.db2.gz IDGOPUZQRPDWKD-UHFFFAOYSA-N 0 1 383.448 3.366 20 5 GGBDMN CCS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284252081 1436007295 /nfs/dbraw/zinc/00/72/95/1436007295.db2.gz RIGZZQGJKUWOKF-STQMWFEESA-N 0 1 377.466 3.382 20 5 GGBDMN CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284252068 1436007349 /nfs/dbraw/zinc/00/73/49/1436007349.db2.gz RIGZZQGJKUWOKF-OLZOCXBDSA-N 0 1 377.466 3.382 20 5 GGBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000284389377 1436018167 /nfs/dbraw/zinc/01/81/67/1436018167.db2.gz MQAGPBXPDPAKLW-OAHLLOKOSA-N 0 1 398.463 3.344 20 5 GGBDMN CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000284519719 1436027730 /nfs/dbraw/zinc/02/77/30/1436027730.db2.gz WDBXUBLGKIUKNW-OAHLLOKOSA-N 0 1 386.427 3.053 20 5 GGBDMN O=[N+]([O-])c1ccc(NCc2ccc(C[NH+]3CCCCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000823639848 1442046535 /nfs/dbraw/zinc/04/65/35/1442046535.db2.gz ITPURKLRPIFURJ-UHFFFAOYSA-N 0 1 393.451 3.373 20 5 GGBDMN CCc1ccc([C@@H](CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000821482035 1443904321 /nfs/dbraw/zinc/90/43/21/1443904321.db2.gz PNMHKTIWWJMSMI-GOSISDBHSA-N 0 1 381.440 3.052 20 5 GGBDMN C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824658252 1446826437 /nfs/dbraw/zinc/82/64/37/1446826437.db2.gz VFHYNVAXAWICHL-ZBFHGGJFSA-N 0 1 393.451 3.097 20 5 GGBDMN C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824658252 1446826443 /nfs/dbraw/zinc/82/64/43/1446826443.db2.gz VFHYNVAXAWICHL-ZBFHGGJFSA-N 0 1 393.451 3.097 20 5 GGBDMN C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824658252 1446826447 /nfs/dbraw/zinc/82/64/47/1446826447.db2.gz VFHYNVAXAWICHL-ZBFHGGJFSA-N 0 1 393.451 3.097 20 5 GGBDMN CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000825632396 1446977586 /nfs/dbraw/zinc/97/75/86/1446977586.db2.gz QKXWYDGTXVBFIH-LLVKDONJSA-N 0 1 386.387 3.164 20 5 GGBDMN O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)cs2)c1 ZINC000738366658 1447253694 /nfs/dbraw/zinc/25/36/94/1447253694.db2.gz GVTNLEPDVFJLDJ-UHFFFAOYSA-N 0 1 393.432 3.188 20 5 GGBDMN CC[C@H]([NH2+]CCCOc1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000825142898 1450038766 /nfs/dbraw/zinc/03/87/66/1450038766.db2.gz TXABOZMYHSCDHV-SFHVURJKSA-N 0 1 382.424 3.285 20 5 GGBDMN Cc1cc([N+](=O)[O-])cnc1N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164698934 719886839 /nfs/dbraw/zinc/88/68/39/719886839.db2.gz GFUACEHRMJJQHI-UHFFFAOYSA-N 0 1 388.493 3.231 20 5 GGBDMN CC(C)Oc1nc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)ccc1[N+](=O)[O-] ZINC001164729387 720452822 /nfs/dbraw/zinc/45/28/22/720452822.db2.gz HIVLYFZJJWIOTK-DLBZAZTESA-N 0 1 383.452 3.025 20 5 GGBDMN CC(C)N(C)Cc1cnc2n1CCN(c1nccc(Cl)c1[N+](=O)[O-])[C@@H]2C ZINC001164853990 720923965 /nfs/dbraw/zinc/92/39/65/720923965.db2.gz DNBLGHYCVYAKMY-GFCCVEGCSA-N 0 1 378.864 3.261 20 5 GGBDMN CC(C)N(C)Cc1cnc2n1CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)[C@H]2C ZINC001164856172 720937253 /nfs/dbraw/zinc/93/72/53/720937253.db2.gz CCSWJOKIELQDOD-AWEZNQCLSA-N 0 1 395.467 3.156 20 5 GGBDMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)[C@H]2C ZINC001164862381 720973664 /nfs/dbraw/zinc/97/36/64/720973664.db2.gz SEMWNOXLCVTDOQ-ZDUSSCGKSA-N 0 1 383.456 3.089 20 5 GGBDMN CC(C)N(C)Cc1cnc2n1CCN(c1ncnc3cccc([N+](=O)[O-])c31)[C@H]2C ZINC001164858836 721016779 /nfs/dbraw/zinc/01/67/79/721016779.db2.gz HTCFDEYUOHWQQR-AWEZNQCLSA-N 0 1 395.467 3.156 20 5 GGBDMN O=[N+]([O-])c1cnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164901068 721511742 /nfs/dbraw/zinc/51/17/42/721511742.db2.gz WHNLTSUTKORLOK-ZBFHGGJFSA-N 0 1 392.818 3.124 20 5 GGBDMN O=[N+]([O-])c1cnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)c1 ZINC001164901067 721511943 /nfs/dbraw/zinc/51/19/43/721511943.db2.gz WHNLTSUTKORLOK-HOCLYGCPSA-N 0 1 392.818 3.124 20 5 GGBDMN O=[N+]([O-])c1cccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164905502 721693267 /nfs/dbraw/zinc/69/32/67/721693267.db2.gz JOWBPULBEIFZCM-SFHVURJKSA-N 0 1 389.406 3.123 20 5 GGBDMN O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CCN(C2CCCC2)CC1 ZINC001165031629 721860109 /nfs/dbraw/zinc/86/01/09/721860109.db2.gz FIYFDGRXCMTGMG-UHFFFAOYSA-N 0 1 379.770 3.122 20 5 GGBDMN Cc1ccc(CN2CCOC3(CCN(c4cccc([N+](=O)[O-])n4)CC3)C2)cc1 ZINC001164939321 721922610 /nfs/dbraw/zinc/92/26/10/721922610.db2.gz IKYQYFKYDWLZNV-UHFFFAOYSA-N 0 1 382.464 3.170 20 5 GGBDMN O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CCCO3)CC2)nc1-c1ccc(F)cc1 ZINC000619526964 721925134 /nfs/dbraw/zinc/92/51/34/721925134.db2.gz IVAIOKSCTAOXQP-QGZVFWFLSA-N 0 1 386.427 3.097 20 5 GGBDMN O=[N+]([O-])c1cccc2ccc(N3CCN(CCOc4ccccc4)CC3)nc21 ZINC001165044882 721955700 /nfs/dbraw/zinc/95/57/00/721955700.db2.gz RCMKOYGQAOMHGV-UHFFFAOYSA-N 0 1 378.432 3.344 20 5 GGBDMN O=[N+]([O-])c1ccc(N2CCN(CCc3ccccn3)CC2)nc1-c1ccccc1 ZINC001165055645 722019679 /nfs/dbraw/zinc/01/96/79/722019679.db2.gz RXFGCAFVEFBEQD-UHFFFAOYSA-N 0 1 389.459 3.417 20 5 GGBDMN O=[N+]([O-])c1c(Cl)ccc2nc(N3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)ccc21 ZINC001164967104 722073186 /nfs/dbraw/zinc/07/31/86/722073186.db2.gz IIKKKLGUEGNGPQ-OKILXGFUSA-N 0 1 388.855 3.096 20 5 GGBDMN COc1cc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)ncc1[N+](=O)[O-] ZINC001164993265 722197569 /nfs/dbraw/zinc/19/75/69/722197569.db2.gz DSARUYFIEHUQPS-FQEVSTJZSA-N 0 1 386.427 3.382 20 5 GGBDMN CC[C@]1(C(=O)[O-])CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001589604332 949222055 /nfs/dbraw/zinc/22/20/55/949222055.db2.gz BCGINDCICCUOAQ-DIFFPNOSSA-N 0 1 383.832 3.152 20 5 GGBDMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001589604332 949222074 /nfs/dbraw/zinc/22/20/74/949222074.db2.gz BCGINDCICCUOAQ-DIFFPNOSSA-N 0 1 383.832 3.152 20 5 GGBDMN CC[C@]1(C(=O)[O-])CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001589604333 949222111 /nfs/dbraw/zinc/22/21/11/949222111.db2.gz BCGINDCICCUOAQ-GTNSWQLSSA-N 0 1 383.832 3.152 20 5 GGBDMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001589604333 949222122 /nfs/dbraw/zinc/22/21/22/949222122.db2.gz BCGINDCICCUOAQ-GTNSWQLSSA-N 0 1 383.832 3.152 20 5 GGBDMN C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001575516980 949223361 /nfs/dbraw/zinc/22/33/61/949223361.db2.gz SHMJSYQTDKGGQX-GXTWGEPZSA-N 0 1 397.414 3.161 20 5 GGBDMN C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001575516980 949223375 /nfs/dbraw/zinc/22/33/75/949223375.db2.gz SHMJSYQTDKGGQX-GXTWGEPZSA-N 0 1 397.414 3.161 20 5 GGBDMN CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC001589606226 949274453 /nfs/dbraw/zinc/27/44/53/949274453.db2.gz DZXXBYXNAAJHEV-CYBMUJFWSA-N 0 1 377.260 3.496 20 5 GGBDMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC001589606226 949274466 /nfs/dbraw/zinc/27/44/66/949274466.db2.gz DZXXBYXNAAJHEV-CYBMUJFWSA-N 0 1 377.260 3.496 20 5 GGBDMN CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC001589606227 949274590 /nfs/dbraw/zinc/27/45/90/949274590.db2.gz DZXXBYXNAAJHEV-ZDUSSCGKSA-N 0 1 377.260 3.496 20 5 GGBDMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC001589606227 949274607 /nfs/dbraw/zinc/27/46/07/949274607.db2.gz DZXXBYXNAAJHEV-ZDUSSCGKSA-N 0 1 377.260 3.496 20 5 GGBDMN O=C([O-])[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC001594843564 954105561 /nfs/dbraw/zinc/10/55/61/954105561.db2.gz QQMFVULEXCADNU-LLVKDONJSA-N 0 1 389.202 3.473 20 5 GGBDMN O=C([O-])C1(CC[N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCC1 ZINC001594879750 954413157 /nfs/dbraw/zinc/41/31/57/954413157.db2.gz SYBMJVAEIUDNQF-UHFFFAOYSA-N 0 1 383.242 3.360 20 5 GGBDMN O=C([O-])C1(CC[N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCC1 ZINC001594879750 954413167 /nfs/dbraw/zinc/41/31/67/954413167.db2.gz SYBMJVAEIUDNQF-UHFFFAOYSA-N 0 1 383.242 3.360 20 5 GGBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@]2(C)C(=O)[O-])cc1OC ZINC001589458859 954855364 /nfs/dbraw/zinc/85/53/64/954855364.db2.gz NUTWVBVXZKAWOX-BFUOFWGJSA-N 0 1 380.441 3.467 20 5 GGBDMN O=C([O-])[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)Cc2ccccc21 ZINC001594954842 954981892 /nfs/dbraw/zinc/98/18/92/954981892.db2.gz BLVICIVQGQOCIN-SFHVURJKSA-N 0 1 379.372 3.434 20 5 GGBDMN O=C([O-])[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)Cc2ccccc21 ZINC001594954842 954981897 /nfs/dbraw/zinc/98/18/97/954981897.db2.gz BLVICIVQGQOCIN-SFHVURJKSA-N 0 1 379.372 3.434 20 5 GGBDMN C[C@@]([NH2+]Cc1ccc([N+](=O)[O-])cc1Br)(C(=O)[O-])c1ccccc1 ZINC001603250588 972421266 /nfs/dbraw/zinc/42/12/66/972421266.db2.gz GICMZWLYZDGLRI-INIZCTEOSA-N 0 1 379.210 3.447 20 5 GGBDMN Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001574303983 960726470 /nfs/dbraw/zinc/72/64/70/960726470.db2.gz GCJLEKPQKAHREF-BHYGNILZSA-N 0 1 397.431 3.030 20 5 GGBDMN Cc1c(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001574303984 960727664 /nfs/dbraw/zinc/72/76/64/960727664.db2.gz GCJLEKPQKAHREF-HYVNUMGLSA-N 0 1 397.431 3.030 20 5 GGBDMN COc1cc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000263382354 962539665 /nfs/dbraw/zinc/53/96/65/962539665.db2.gz BZTSALZQFWBYQX-MRXNPFEDSA-N 0 1 386.404 3.089 20 5 GGBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001603290927 972550630 /nfs/dbraw/zinc/55/06/30/972550630.db2.gz ZICAEKQNULISPX-SJCJKPOMSA-N 0 1 394.387 3.390 20 5 GGBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001603290927 972550632 /nfs/dbraw/zinc/55/06/32/972550632.db2.gz ZICAEKQNULISPX-SJCJKPOMSA-N 0 1 394.387 3.390 20 5 GGBDMN O=C([O-])C1(CC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)CCC1 ZINC001605950469 972909585 /nfs/dbraw/zinc/90/95/85/972909585.db2.gz KIKUWBKRNJUVMF-QAQDUYKDSA-N 0 1 376.453 3.345 20 5 GGBDMN CC[C@@]1(C(=O)[O-])CCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001603609643 973875810 /nfs/dbraw/zinc/87/58/10/973875810.db2.gz LOXBLIIDVWXWMP-PIGZYNQJSA-N 0 1 383.832 3.152 20 5 GGBDMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001603609643 973875818 /nfs/dbraw/zinc/87/58/18/973875818.db2.gz LOXBLIIDVWXWMP-PIGZYNQJSA-N 0 1 383.832 3.152 20 5 GGBDMN CC[C@H]1CN(c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000514675683 974290390 /nfs/dbraw/zinc/29/03/90/974290390.db2.gz VFDHLQZRYPQRGN-INIZCTEOSA-N 0 1 384.436 3.097 20 5 GGBDMN CC[C@@H]1CN(c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000514675684 974291009 /nfs/dbraw/zinc/29/10/09/974291009.db2.gz VFDHLQZRYPQRGN-MRXNPFEDSA-N 0 1 384.436 3.097 20 5 GGBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1 ZINC000563204279 974519545 /nfs/dbraw/zinc/51/95/45/974519545.db2.gz APOANNVUQFAIMN-OAHLLOKOSA-N 0 1 384.436 3.097 20 5 GGBDMN CC(C)c1ccc(C[NH+]2CCN(c3ncc(C(=O)[O-])cc3[N+](=O)[O-])CC2)cc1 ZINC000565039677 974564848 /nfs/dbraw/zinc/56/48/48/974564848.db2.gz DIVWUMKUKWBLKD-UHFFFAOYSA-N 0 1 384.436 3.134 20 5 GGBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000566292233 974603064 /nfs/dbraw/zinc/60/30/64/974603064.db2.gz ZTMBKUHELKXCBN-HOCLYGCPSA-N 0 1 384.436 3.319 20 5 GGBDMN Cc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566564006 974617126 /nfs/dbraw/zinc/61/71/26/974617126.db2.gz PDSNVDDMOJBUJA-SFHVURJKSA-N 0 1 399.447 3.304 20 5 GGBDMN CCN1CC[NH+](Cc2ccccc2CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000566563714 974617258 /nfs/dbraw/zinc/61/72/58/974617258.db2.gz LEQLFCRAZZRRRD-UHFFFAOYSA-N 0 1 398.463 3.043 20 5 GGBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000567977060 974651120 /nfs/dbraw/zinc/65/11/20/974651120.db2.gz YPKNVMMFSIQNAN-HNNXBMFYSA-N 0 1 384.436 3.097 20 5 GGBDMN O=C([O-])c1cnc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000568887766 974680504 /nfs/dbraw/zinc/68/05/04/974680504.db2.gz IACZIAQZEZGPLM-ALOPSCKCSA-N 0 1 382.420 3.296 20 5 GGBDMN O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000572042720 974740827 /nfs/dbraw/zinc/74/08/27/974740827.db2.gz AHGWZMGFQGLHQE-LBPRGKRZSA-N 0 1 376.438 3.074 20 5 GGBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)n1 ZINC000575127849 974795875 /nfs/dbraw/zinc/79/58/75/974795875.db2.gz SGBLTVDJSDNACB-HNNXBMFYSA-N 0 1 398.463 3.405 20 5 GGBDMN C[C@@H]1CCCC[N@H+]1CCC1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000578536760 974857439 /nfs/dbraw/zinc/85/74/39/974857439.db2.gz MDSOAFDYTQDQDO-CQSZACIVSA-N 0 1 376.457 3.169 20 5 GGBDMN Cc1cc(N2CCC(Nc3cc(C)c([N+](=O)[O-])cc3C(=O)[O-])CC2)nc(C)[nH+]1 ZINC000578753393 974861108 /nfs/dbraw/zinc/86/11/08/974861108.db2.gz ULHXFWLGAQWOMF-UHFFFAOYSA-N 0 1 385.424 3.089 20 5 GGBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000579016336 974867380 /nfs/dbraw/zinc/86/73/80/974867380.db2.gz RHCJEUJMRQYFQH-UHFFFAOYSA-N 0 1 388.420 3.477 20 5 GGBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000579016336 974867383 /nfs/dbraw/zinc/86/73/83/974867383.db2.gz RHCJEUJMRQYFQH-UHFFFAOYSA-N 0 1 388.420 3.477 20 5 GGBDMN COc1cc(C[N@@H+](CC(=O)[O-])C2CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000581440416 974910603 /nfs/dbraw/zinc/91/06/03/974910603.db2.gz GQNYIXMESBGRQF-UHFFFAOYSA-N 0 1 388.367 3.077 20 5 GGBDMN COc1cccc([C@@H](C)[NH+]2CCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)c1 ZINC000581826882 974915689 /nfs/dbraw/zinc/91/56/89/974915689.db2.gz TUIISWZDMPJQPP-CQSZACIVSA-N 0 1 385.420 3.185 20 5 GGBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000582788361 974931571 /nfs/dbraw/zinc/93/15/71/974931571.db2.gz HCWUJFWDKXISGZ-HOCLYGCPSA-N 0 1 384.436 3.461 20 5 GGBDMN Cc1cc(NCc2ccc(C[NH+]3CCOCC3)cc2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592967016 974976833 /nfs/dbraw/zinc/97/68/33/974976833.db2.gz AFLOOOOADLRYLR-UHFFFAOYSA-N 0 1 385.420 3.046 20 5 GGBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[N@@H+](Cc3ccccc3C)CC2)n1 ZINC000592968685 974976906 /nfs/dbraw/zinc/97/69/06/974976906.db2.gz BJHHNQXULDKUOZ-UHFFFAOYSA-N 0 1 384.436 3.017 20 5 GGBDMN O=C([O-])c1ccnc(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC000592976944 974978602 /nfs/dbraw/zinc/97/86/02/974978602.db2.gz IMXBGDWGWCBQMH-CGTJXYLNSA-N 0 1 396.447 3.401 20 5 GGBDMN O=C([O-])c1cnc(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000592976829 974978634 /nfs/dbraw/zinc/97/86/34/974978634.db2.gz AWBLNPIWUHULJS-BPQIPLTHSA-N 0 1 396.447 3.401 20 5 GGBDMN O=C([O-])c1cnc(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC000592976833 974978836 /nfs/dbraw/zinc/97/88/36/974978836.db2.gz AWBLNPIWUHULJS-KBAYOESNSA-N 0 1 396.447 3.401 20 5 GGBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000593735910 974983943 /nfs/dbraw/zinc/98/39/43/974983943.db2.gz QYTXXODGIITXGJ-MRXNPFEDSA-N 0 1 384.388 3.401 20 5 GGBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000593735910 974983948 /nfs/dbraw/zinc/98/39/48/974983948.db2.gz QYTXXODGIITXGJ-MRXNPFEDSA-N 0 1 384.388 3.401 20 5 GGBDMN C[C@@](CC(=O)[O-])([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccn1 ZINC001592328539 977747675 /nfs/dbraw/zinc/74/76/75/977747675.db2.gz LKCNHJYHELLXNC-INIZCTEOSA-N 0 1 383.326 3.488 20 5 GGBDMN C[C@H](C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccccc1)C(=O)[O-] ZINC001592604502 978543448 /nfs/dbraw/zinc/54/34/48/978543448.db2.gz DPQACMNJNVSYBO-CQSZACIVSA-N 0 1 396.403 3.368 20 5 GGBDMN O=C([O-])Cc1ccc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000844206621 979353498 /nfs/dbraw/zinc/35/34/98/979353498.db2.gz GTXJAKAFFINLOZ-UHFFFAOYSA-N 0 1 387.411 3.073 20 5 GGBDMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844207200 979356163 /nfs/dbraw/zinc/35/61/63/979356163.db2.gz CBFRXJLHVMAJHE-RDJZCZTQSA-N 0 1 375.469 3.313 20 5 GGBDMN Cc1cc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844212371 979368906 /nfs/dbraw/zinc/36/89/06/979368906.db2.gz HJKTZFJYGJQSTC-KRWDZBQOSA-N 0 1 399.447 3.170 20 5 GGBDMN C[C@@H](c1ccsc1)[NH+]1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844213140 979371515 /nfs/dbraw/zinc/37/15/15/979371515.db2.gz UXDDAEPKLIBGHG-ZDUSSCGKSA-N 0 1 375.450 3.167 20 5 GGBDMN O=C([O-])C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846269562 979435238 /nfs/dbraw/zinc/43/52/38/979435238.db2.gz SFDJGWHTLCEHJM-INIZCTEOSA-N 0 1 398.337 3.234 20 5 GGBDMN O=C([O-])Cc1ccc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000863480373 979672200 /nfs/dbraw/zinc/67/22/00/979672200.db2.gz JDSSHTXRRJTKNF-UHFFFAOYSA-N 0 1 394.431 3.025 20 5 GGBDMN O=C([O-])CC[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000901677359 980440333 /nfs/dbraw/zinc/44/03/33/980440333.db2.gz JHVDXDODKWSABY-GFCCVEGCSA-N 0 1 377.224 3.357 20 5 GGBDMN O=C([O-])CC[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000901677360 980440360 /nfs/dbraw/zinc/44/03/60/980440360.db2.gz JHVDXDODKWSABY-LBPRGKRZSA-N 0 1 377.224 3.357 20 5 GGBDMN O=C([O-])[C@@]1(c2ccccc2)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000901826605 980546402 /nfs/dbraw/zinc/54/64/02/980546402.db2.gz ITGBHGDKDYKGOF-IBGZPJMESA-N 0 1 392.358 3.425 20 5 GGBDMN O=C([O-])C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CCOCC1 ZINC000901984023 980664488 /nfs/dbraw/zinc/66/44/88/980664488.db2.gz MMJGHYMDWZTWGK-UHFFFAOYSA-N 0 1 376.434 3.389 20 5 GGBDMN CO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@H](C(=O)[O-])C1 ZINC000902032209 980703896 /nfs/dbraw/zinc/70/38/96/980703896.db2.gz LGVHNTVUBSMFIN-WBMJQRKESA-N 0 1 376.434 3.387 20 5 GGBDMN CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001595482340 981206853 /nfs/dbraw/zinc/20/68/53/981206853.db2.gz HITIETYPVTXSDV-QGZVFWFLSA-N 0 1 399.447 3.289 20 5 GGBDMN CC[C@](C)(C(=O)[O-])[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC1CC1 ZINC001594778209 981773355 /nfs/dbraw/zinc/77/33/55/981773355.db2.gz KYAGDJWZEYXJGV-QGZVFWFLSA-N 0 1 383.832 3.152 20 5 GGBDMN CC[C@@](C)(C(=O)[O-])[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC1CC1 ZINC001594787922 981829860 /nfs/dbraw/zinc/82/98/60/981829860.db2.gz PSIDYDIDJFNPCT-IBGZPJMESA-N 0 1 377.441 3.197 20 5 GGBDMN CC[C@](C)(C(=O)[O-])[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC1CC1 ZINC001594787924 981830150 /nfs/dbraw/zinc/83/01/50/981830150.db2.gz PSIDYDIDJFNPCT-LJQANCHMSA-N 0 1 377.441 3.197 20 5 GGBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1OC ZINC001594965361 982721996 /nfs/dbraw/zinc/72/19/96/982721996.db2.gz VKPLKLNSLBDGFM-UMVBOHGHSA-N 0 1 380.441 3.181 20 5 GGBDMN O=C([O-])[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1c1ccc(F)cc1F ZINC001118261713 982949150 /nfs/dbraw/zinc/94/91/50/982949150.db2.gz BZXNVXPGRGDELU-LSDHHAIUSA-N 0 1 392.358 3.052 20 5 GGBDMN C[C@@H]1C[NH+](Cc2cccc(Nc3ncc(C(=O)[O-])cc3[N+](=O)[O-])c2)C[C@@H](C)O1 ZINC001594542003 986176402 /nfs/dbraw/zinc/17/64/02/986176402.db2.gz AQNZJCQQNIQPSZ-CHWSQXEVSA-N 0 1 386.408 3.041 20 5 GGBDMN C[C@@H]1C[N@@H+](Cc2cccc(Nc3ncc(C(=O)[O-])cc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC001594542002 986176714 /nfs/dbraw/zinc/17/67/14/986176714.db2.gz AQNZJCQQNIQPSZ-BETUJISGSA-N 0 1 386.408 3.041 20 5 GGBDMN C[C@@H]1C[N@H+](Cc2cccc(Nc3ncc(C(=O)[O-])cc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC001594542002 986176717 /nfs/dbraw/zinc/17/67/17/986176717.db2.gz AQNZJCQQNIQPSZ-BETUJISGSA-N 0 1 386.408 3.041 20 5 GGBDMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594545970 986212879 /nfs/dbraw/zinc/21/28/79/986212879.db2.gz WQDGMFRWHDTAOO-INIZCTEOSA-N 0 1 383.448 3.389 20 5 GGBDMN CCOc1cc(C[N@@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001597031070 986447191 /nfs/dbraw/zinc/44/71/91/986447191.db2.gz IOEJKIZNMRIBDF-HNNXBMFYSA-N 0 1 399.447 3.402 20 5 GGBDMN CCOc1cc(C[N@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001597031070 986447193 /nfs/dbraw/zinc/44/71/93/986447193.db2.gz IOEJKIZNMRIBDF-HNNXBMFYSA-N 0 1 399.447 3.402 20 5 GGBDMN COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001599707974 991322102 /nfs/dbraw/zinc/32/21/02/991322102.db2.gz BQIROPNBLKXXGW-CQSZACIVSA-N 0 1 388.420 3.130 20 5 GGBDMN C[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC001598507885 992529768 /nfs/dbraw/zinc/52/97/68/992529768.db2.gz WIKNWOHGQGRMBZ-UHFFFAOYSA-N 0 1 397.431 3.030 20 5 GGBDMN C[C@]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593298550 994715751 /nfs/dbraw/zinc/71/57/51/994715751.db2.gz LHGDIUYGFMIVDH-MRXNPFEDSA-N 0 1 379.756 3.246 20 5 GGBDMN C[C@H](c1cccc(Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC001593703152 996179073 /nfs/dbraw/zinc/17/90/73/996179073.db2.gz KSKQXFFVJCJUOO-CQSZACIVSA-N 0 1 385.420 3.359 20 5 GGBDMN C[C@@H](c1cccc(Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC001593703150 996179258 /nfs/dbraw/zinc/17/92/58/996179258.db2.gz KSKQXFFVJCJUOO-AWEZNQCLSA-N 0 1 385.420 3.359 20 5 GGBDMN CO[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC001599078378 996933582 /nfs/dbraw/zinc/93/35/82/996933582.db2.gz CJIWTFBLZCAHPP-KRWDZBQOSA-N 0 1 380.784 3.184 20 5 GGBDMN COC(=O)c1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc(C(=O)[O-])c1 ZINC001598929527 997719444 /nfs/dbraw/zinc/71/94/44/997719444.db2.gz OKCXZUBUTVBZPP-UHFFFAOYSA-N 0 1 384.388 3.244 20 5 GGBDMN COC(=O)c1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc(C(=O)[O-])c1 ZINC001598929527 997719453 /nfs/dbraw/zinc/71/94/53/997719453.db2.gz OKCXZUBUTVBZPP-UHFFFAOYSA-N 0 1 384.388 3.244 20 5 GGBDMN C[C@]1(c2cccc(F)c2)CC[N@@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001594074572 997940380 /nfs/dbraw/zinc/94/03/80/997940380.db2.gz WGFMFLSIOUNNQZ-FQEVSTJZSA-N 0 1 388.395 3.361 20 5 GGBDMN COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001599462467 998296963 /nfs/dbraw/zinc/29/69/63/998296963.db2.gz UTZCIIRENLEZER-CQSZACIVSA-N 0 1 385.420 3.012 20 5 GGBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001599462467 998296974 /nfs/dbraw/zinc/29/69/74/998296974.db2.gz UTZCIIRENLEZER-CQSZACIVSA-N 0 1 385.420 3.012 20 5 GGBDMN C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001594215265 998828816 /nfs/dbraw/zinc/82/88/16/998828816.db2.gz RELQANYZSKGTRJ-CMPLNLGQSA-N 0 1 376.331 3.221 20 5 GGBDMN C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001594215265 998828822 /nfs/dbraw/zinc/82/88/22/998828822.db2.gz RELQANYZSKGTRJ-CMPLNLGQSA-N 0 1 376.331 3.221 20 5 GGBDMN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001594329265 999264959 /nfs/dbraw/zinc/26/49/59/999264959.db2.gz VKUNVWCLDDKJSL-OLQIXAPSSA-N 0 1 376.453 3.445 20 5 GGBDMN C[C@H]1CCCC[N@H+]1CCCCNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001594374872 999412710 /nfs/dbraw/zinc/41/27/10/999412710.db2.gz FVLIHIYMMPSJNJ-LBPRGKRZSA-N 0 1 380.401 3.268 20 5 GGBDMN C[C@H]1CCC[N@@H+](CCCCNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001594382320 999440928 /nfs/dbraw/zinc/44/09/28/999440928.db2.gz AEJPRTOQZOPSKJ-LBPRGKRZSA-N 0 1 380.401 3.125 20 5 GGBDMN C[C@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001594423447 999580705 /nfs/dbraw/zinc/58/07/05/999580705.db2.gz WXVAEPAUPFOVKW-INIZCTEOSA-N 0 1 383.448 3.389 20 5 GGBDMN C[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001594423449 999580922 /nfs/dbraw/zinc/58/09/22/999580922.db2.gz WXVAEPAUPFOVKW-MRXNPFEDSA-N 0 1 383.448 3.389 20 5 GGBDMN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594425921 999590153 /nfs/dbraw/zinc/59/01/53/999590153.db2.gz CEQQWSPVHPYRHD-INIZCTEOSA-N 0 1 383.448 3.389 20 5 GGBDMN CC(C)c1cnc(C[NH2+][C@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])s1 ZINC000417572472 1126080694 /nfs/dbraw/zinc/08/06/94/1126080694.db2.gz ZCJWKKKBSRWDRA-OAHLLOKOSA-N 0 1 388.449 3.442 20 5 GGBDMN COc1ccc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000609707706 1126100604 /nfs/dbraw/zinc/10/06/04/1126100604.db2.gz UPTXYXSILSLWRO-PBHICJAKSA-N 0 1 384.354 3.228 20 5 GGBDMN CC(C)OC(=O)C[C@@H](NC(=O)c1n[nH]c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000010737643 221107341 /nfs/dbraw/zinc/10/73/41/221107341.db2.gz VVUUNCQECGCVDN-MRXNPFEDSA-N 0 1 396.403 3.284 20 5 GGBDMN CS[C@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000089314158 222327595 /nfs/dbraw/zinc/32/75/95/222327595.db2.gz QIRNWTDYQGLUQH-MOPGFXCFSA-N 0 1 385.489 3.308 20 5 GGBDMN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1(N2CCOCC2)CCCC1 ZINC000079064588 222302269 /nfs/dbraw/zinc/30/22/69/222302269.db2.gz OXHHZILPMNFPPW-ZDUSSCGKSA-N 0 1 396.875 3.403 20 5 GGBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Br)c(F)c2)c1 ZINC000115871591 564200338 /nfs/dbraw/zinc/20/03/38/564200338.db2.gz DVZHDUQWSKJLPZ-UHFFFAOYSA-N 0 1 375.175 3.297 20 5 GGBDMN CCc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n[nH]1 ZINC000011711139 564264662 /nfs/dbraw/zinc/26/46/62/564264662.db2.gz LXWCWEIITKBBEK-UHFFFAOYSA-N 0 1 375.332 3.025 20 5 GGBDMN CCc1n[nH]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000011711139 564264666 /nfs/dbraw/zinc/26/46/66/564264666.db2.gz LXWCWEIITKBBEK-UHFFFAOYSA-N 0 1 375.332 3.025 20 5 GGBDMN COC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000018707649 564302287 /nfs/dbraw/zinc/30/22/87/564302287.db2.gz DMOCUTFEPMILBU-UHFFFAOYSA-N 0 1 384.797 3.144 20 5 GGBDMN Cc1c(Cl)cc(S(=O)(=O)NCC(C)(C)N2CCCCC2)cc1[N+](=O)[O-] ZINC000026885577 564351490 /nfs/dbraw/zinc/35/14/90/564351490.db2.gz JJFFSDMTWFPENR-UHFFFAOYSA-N 0 1 389.905 3.099 20 5 GGBDMN O=C(Nc1n[nH]c(-c2ccccc2Br)n1)c1ccc([N+](=O)[O-])s1 ZINC000028900054 564366085 /nfs/dbraw/zinc/36/60/85/564366085.db2.gz PPPJUWSLOOLLPG-UHFFFAOYSA-N 0 1 394.210 3.456 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000123757791 564460578 /nfs/dbraw/zinc/46/05/78/564460578.db2.gz LZOLZIYHMXPEPP-GFCCVEGCSA-N 0 1 386.788 3.189 20 5 GGBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc3nccnc3c2)cc1[N+](=O)[O-] ZINC000047211461 564515547 /nfs/dbraw/zinc/51/55/47/564515547.db2.gz SXFWCHIOZWGHGN-UHFFFAOYSA-N 0 1 378.797 3.301 20 5 GGBDMN CSCC[C@H](C)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000126313232 564545046 /nfs/dbraw/zinc/54/50/46/564545046.db2.gz KHJODYGSLQVZBB-JTQLQIEISA-N 0 1 390.303 3.369 20 5 GGBDMN Cc1cc(F)ccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000055589880 564625565 /nfs/dbraw/zinc/62/55/65/564625565.db2.gz FLEAJASDZQMKHH-UHFFFAOYSA-N 0 1 376.312 3.445 20 5 GGBDMN COc1ccc(S(=O)(=O)N[C@@H](C2CCCC2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000129145588 564639809 /nfs/dbraw/zinc/63/98/09/564639809.db2.gz YCSVWVFUBPAHIJ-ZDUSSCGKSA-N 0 1 382.360 3.003 20 5 GGBDMN COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2N(C)C)cc1[N+](=O)[O-] ZINC000058190394 564679858 /nfs/dbraw/zinc/67/98/58/564679858.db2.gz IVEPDNCZIIZWAQ-UHFFFAOYSA-N 0 1 385.829 3.124 20 5 GGBDMN COc1cccc2c1CC[C@H]2NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000131918227 564727906 /nfs/dbraw/zinc/72/79/06/564727906.db2.gz VZTMXGRJLSIICH-CYBMUJFWSA-N 0 1 382.825 3.223 20 5 GGBDMN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Br)c(O)c1 ZINC000132580199 564748064 /nfs/dbraw/zinc/74/80/64/564748064.db2.gz KGKIRNVXTPBRRS-UHFFFAOYSA-N 0 1 377.154 3.192 20 5 GGBDMN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc3c(c2)COC3)c1 ZINC000132891464 564757105 /nfs/dbraw/zinc/75/71/05/564757105.db2.gz MJOORGWMFWGREA-UHFFFAOYSA-N 0 1 399.222 3.188 20 5 GGBDMN C[C@H](CCS(C)(=O)=O)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000134586473 564808060 /nfs/dbraw/zinc/80/80/60/564808060.db2.gz KXLDDPRFCXWCBZ-LLVKDONJSA-N 0 1 386.857 3.421 20 5 GGBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1c(F)cccc1CO ZINC000134668490 564811545 /nfs/dbraw/zinc/81/15/45/564811545.db2.gz XFORFQSCYWJZCP-UHFFFAOYSA-N 0 1 395.195 3.334 20 5 GGBDMN CCc1onc(C)c1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000134752867 564814438 /nfs/dbraw/zinc/81/44/38/564814438.db2.gz DVQXXGBUAZVBJK-UHFFFAOYSA-N 0 1 390.215 3.017 20 5 GGBDMN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1cccc(F)c1F ZINC000097548731 564908380 /nfs/dbraw/zinc/90/83/80/564908380.db2.gz AZNFDUDPIZRZNG-UHFFFAOYSA-N 0 1 393.165 3.436 20 5 GGBDMN COc1ccc(OCCN(C)Cc2cc(Br)cn2C)c([N+](=O)[O-])c1 ZINC000151592458 564928416 /nfs/dbraw/zinc/92/84/16/564928416.db2.gz FZKFCPVEQJVNES-UHFFFAOYSA-N 0 1 398.257 3.215 20 5 GGBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cccc(Br)c1 ZINC000103202380 564944450 /nfs/dbraw/zinc/94/44/50/564944450.db2.gz PEIJIGWNEXVKOD-UHFFFAOYSA-N 0 1 388.181 3.395 20 5 GGBDMN CC[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000104759674 564959144 /nfs/dbraw/zinc/95/91/44/564959144.db2.gz CNKDICOLOIWZLP-JTQLQIEISA-N 0 1 375.859 3.443 20 5 GGBDMN CC(C)(C)c1csc(CCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000104755804 564959163 /nfs/dbraw/zinc/95/91/63/564959163.db2.gz ANFQNMDWAVLDQX-UHFFFAOYSA-N 0 1 387.458 3.009 20 5 GGBDMN CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000106008759 564976321 /nfs/dbraw/zinc/97/63/21/564976321.db2.gz WFGDVOZIQHZAJC-UHFFFAOYSA-N 0 1 383.813 3.316 20 5 GGBDMN COCc1cc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1F ZINC000107702591 565001736 /nfs/dbraw/zinc/00/17/36/565001736.db2.gz YAUMHAGQKOHANL-UHFFFAOYSA-N 0 1 388.804 3.012 20 5 GGBDMN COc1ccc(Cl)cc1-c1n[nH]c(SCCn2cc([N+](=O)[O-])cn2)n1 ZINC000153699632 565007069 /nfs/dbraw/zinc/00/70/69/565007069.db2.gz FDJWRMGIQQHXJC-UHFFFAOYSA-N 0 1 380.817 3.031 20 5 GGBDMN O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000153797695 565011485 /nfs/dbraw/zinc/01/14/85/565011485.db2.gz VCGGJFPPCCAQBG-UHFFFAOYSA-N 0 1 381.122 3.156 20 5 GGBDMN CC(=O)c1cccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000108759265 565016619 /nfs/dbraw/zinc/01/66/19/565016619.db2.gz FYVBKNYEZJLIQH-UHFFFAOYSA-N 0 1 399.222 3.361 20 5 GGBDMN COc1cccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000108759227 565016675 /nfs/dbraw/zinc/01/66/75/565016675.db2.gz NALQPLZEADLGQB-UHFFFAOYSA-N 0 1 387.211 3.167 20 5 GGBDMN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCN(C2CCCCC2)CC1 ZINC000154377352 565035922 /nfs/dbraw/zinc/03/59/22/565035922.db2.gz GPSQOBJOLBJPGP-UHFFFAOYSA-N 0 1 396.285 3.448 20 5 GGBDMN Cc1c(Br)cc(C(=O)Nc2ccc3[nH]nnc3c2)cc1[N+](=O)[O-] ZINC000154372713 565036116 /nfs/dbraw/zinc/03/61/16/565036116.db2.gz NILGVVHOUGXMRV-UHFFFAOYSA-N 0 1 376.170 3.189 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1cc(Br)ccc1F ZINC000110590520 565042563 /nfs/dbraw/zinc/04/25/63/565042563.db2.gz ASOCUZOMGNZIBJ-UHFFFAOYSA-N 0 1 393.165 3.436 20 5 GGBDMN CC[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000157815306 565144952 /nfs/dbraw/zinc/14/49/52/565144952.db2.gz WCQJVWKQZXPUSW-PWSUYJOCSA-N 0 1 383.253 3.138 20 5 GGBDMN CC[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000157815176 565145258 /nfs/dbraw/zinc/14/52/58/565145258.db2.gz WCQJVWKQZXPUSW-JQWIXIFHSA-N 0 1 383.253 3.138 20 5 GGBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)c1[N+](=O)[O-] ZINC000293814579 565186115 /nfs/dbraw/zinc/18/61/15/565186115.db2.gz DVCIXPOKTTVHER-LBPRGKRZSA-N 0 1 393.241 3.094 20 5 GGBDMN O=C(Nc1ccccc1-c1nnc[nH]1)c1ccc([N+](=O)[O-])cc1Br ZINC000371402016 565191174 /nfs/dbraw/zinc/19/11/74/565191174.db2.gz UGQHEVDPUJUSIX-UHFFFAOYSA-N 0 1 388.181 3.395 20 5 GGBDMN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CCCc2cn[nH]c21 ZINC000269968761 565204871 /nfs/dbraw/zinc/20/48/71/565204871.db2.gz KXPZSGWRUHEMLK-NSHDSACASA-N 0 1 380.202 3.280 20 5 GGBDMN CC(C)c1nc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Br)n[nH]1 ZINC000270614441 565223692 /nfs/dbraw/zinc/22/36/92/565223692.db2.gz FWKMAXZRTZHMAY-QMMMGPOBSA-N 0 1 382.218 3.090 20 5 GGBDMN COc1ccc(CN[C@@H](CO)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000270960954 565233792 /nfs/dbraw/zinc/23/37/92/565233792.db2.gz AQGWJGIAOQOZPP-AWEZNQCLSA-N 0 1 381.226 3.189 20 5 GGBDMN O=C(CSc1n[nH]c(=S)s1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270946764 565233849 /nfs/dbraw/zinc/23/38/49/565233849.db2.gz OFLZEGFMILTKGV-UHFFFAOYSA-N 0 1 382.492 3.018 20 5 GGBDMN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCN(C2CCCC2)CC1 ZINC000160811867 565261045 /nfs/dbraw/zinc/26/10/45/565261045.db2.gz REEXCZSUCBRHOO-UHFFFAOYSA-N 0 1 382.258 3.058 20 5 GGBDMN O=C(NCC1(c2cccc(Br)c2)CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000161459666 565285700 /nfs/dbraw/zinc/28/57/00/565285700.db2.gz HEFSKKWQCDFIFW-UHFFFAOYSA-N 0 1 393.241 3.322 20 5 GGBDMN Cc1cc(Br)c(O)c(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1 ZINC000272502821 565288771 /nfs/dbraw/zinc/28/87/71/565288771.db2.gz PMPVYWLVIQWSJU-UHFFFAOYSA-N 0 1 383.202 3.470 20 5 GGBDMN O=[N+]([O-])c1cnn(CCN2CCC(c3nc(C(F)(F)F)cs3)CC2)c1 ZINC000296348244 565313246 /nfs/dbraw/zinc/31/32/46/565313246.db2.gz QGNFDTJYWBKULS-UHFFFAOYSA-N 0 1 375.376 3.146 20 5 GGBDMN CCc1nc(C)c([C@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000273495107 565322338 /nfs/dbraw/zinc/32/23/38/565322338.db2.gz XQEGQJNZXSZJAN-NSHDSACASA-N 0 1 383.495 3.047 20 5 GGBDMN Cc1c(Br)cc(C(=O)N2CCN(C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000163107773 565336051 /nfs/dbraw/zinc/33/60/51/565336051.db2.gz RVFCKJJEJOTTMC-UHFFFAOYSA-N 0 1 396.285 3.366 20 5 GGBDMN CCc1nc(C)c(CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)o1 ZINC000297176927 565360286 /nfs/dbraw/zinc/36/02/86/565360286.db2.gz SRGXEPKPAYOHTR-UHFFFAOYSA-N 0 1 394.236 3.239 20 5 GGBDMN CCSc1cc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccn1 ZINC000188638902 565415030 /nfs/dbraw/zinc/41/50/30/565415030.db2.gz LRATYEJOGOCUNB-UHFFFAOYSA-N 0 1 387.870 3.234 20 5 GGBDMN CCc1[nH]nc(C(=O)N(C)Cc2cc(Br)ccc2F)c1[N+](=O)[O-] ZINC000171774740 565450676 /nfs/dbraw/zinc/45/06/76/565450676.db2.gz DGDLSGRUOKDVEN-UHFFFAOYSA-N 0 1 385.193 3.054 20 5 GGBDMN CCc1[nH]nc(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)c1[N+](=O)[O-] ZINC000171808508 565451766 /nfs/dbraw/zinc/45/17/66/565451766.db2.gz NFKUWLFGNIOLSC-UHFFFAOYSA-N 0 1 378.801 3.305 20 5 GGBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2Br)n[nH]1 ZINC000277114326 565476483 /nfs/dbraw/zinc/47/64/83/565476483.db2.gz DUABQHCSVFWMGU-DTWKUNHWSA-N 0 1 396.245 3.480 20 5 GGBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Br)n[nH]1 ZINC000277789247 565520755 /nfs/dbraw/zinc/52/07/55/565520755.db2.gz JTODSUWZEAFQOE-RKDXNWHRSA-N 0 1 396.245 3.480 20 5 GGBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccc(Br)cc2[N+](=O)[O-])n[nH]1 ZINC000277822916 565521766 /nfs/dbraw/zinc/52/17/66/565521766.db2.gz LTSPWTMABGEDKS-IUCAKERBSA-N 0 1 396.245 3.480 20 5 GGBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc(Br)cc2[N+](=O)[O-])n[nH]1 ZINC000277822911 565522052 /nfs/dbraw/zinc/52/20/52/565522052.db2.gz LTSPWTMABGEDKS-DTWKUNHWSA-N 0 1 396.245 3.480 20 5 GGBDMN O=C(Nc1ccccc1-c1nnc[nH]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000378419744 565526468 /nfs/dbraw/zinc/52/64/68/565526468.db2.gz DKPVWSOPAKKVSS-UHFFFAOYSA-N 0 1 388.181 3.395 20 5 GGBDMN C[C@@H]1CN(C[C@H]2CCCN2c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000302402616 565540923 /nfs/dbraw/zinc/54/09/23/565540923.db2.gz FVDKWBQSTYENNG-UMVBOHGHSA-N 0 1 398.301 3.435 20 5 GGBDMN C[C@@H]1CN(C[C@@H]2CCCN2c2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000302402614 565541053 /nfs/dbraw/zinc/54/10/53/565541053.db2.gz FVDKWBQSTYENNG-GUTXKFCHSA-N 0 1 398.301 3.435 20 5 GGBDMN 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ZINC000602585045 566479346 /nfs/dbraw/zinc/47/93/46/566479346.db2.gz BTAWTWWNJUEISK-UHFFFAOYSA-N 0 1 390.303 3.301 20 5 GGBDMN O=C(COc1cccc([N+](=O)[O-])c1)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464577199 566487566 /nfs/dbraw/zinc/48/75/66/566487566.db2.gz OTJPRGUIMWXYKP-UHFFFAOYSA-N 0 1 391.181 3.251 20 5 GGBDMN CCCc1[nH]nc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)c1[N+](=O)[O-] ZINC000464570992 566487973 /nfs/dbraw/zinc/48/79/73/566487973.db2.gz NWVGYJRCEDIIDX-UHFFFAOYSA-N 0 1 393.201 3.162 20 5 GGBDMN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464582878 566488990 /nfs/dbraw/zinc/48/89/90/566488990.db2.gz YPLUSPJJSYOAQK-UHFFFAOYSA-N 0 1 391.181 3.251 20 5 GGBDMN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCCS(=O)(=O)C3)o2)c(Cl)c1 ZINC000538414427 566511179 /nfs/dbraw/zinc/51/11/79/566511179.db2.gz HZLVIBQYDKBGKU-NSHDSACASA-N 0 1 384.841 3.175 20 5 GGBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2cc(F)ccc2Br)c1 ZINC000559071775 566525201 /nfs/dbraw/zinc/52/52/01/566525201.db2.gz HUZALBUPTOEUAC-AWEZNQCLSA-N 0 1 399.216 3.026 20 5 GGBDMN COC(=O)[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000559144636 566529896 /nfs/dbraw/zinc/52/98/96/566529896.db2.gz RWEKKIUEWCBKGB-HNNXBMFYSA-N 0 1 395.209 3.067 20 5 GGBDMN CCOc1cc(C)ccc1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000465489617 566533367 /nfs/dbraw/zinc/53/33/67/566533367.db2.gz HFOJEFZSKJYQIE-UHFFFAOYSA-N 0 1 384.841 3.434 20 5 GGBDMN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCN(CC2CC2)CC1 ZINC000603870642 566544328 /nfs/dbraw/zinc/54/43/28/566544328.db2.gz OKNWTQAYRIIXJG-UHFFFAOYSA-N 0 1 391.269 3.438 20 5 GGBDMN CC(C)[C@@H]1C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000538969697 566552272 /nfs/dbraw/zinc/55/22/72/566552272.db2.gz NFEWZUXVZJPNHW-MFKMUULPSA-N 0 1 397.280 3.384 20 5 GGBDMN O=[N+]([O-])c1ccc(CNS(=O)(=O)c2c(F)cc(F)cc2F)c(Cl)c1 ZINC000466541428 566582818 /nfs/dbraw/zinc/58/28/18/566582818.db2.gz JKCAWBNECMTNKA-UHFFFAOYSA-N 0 1 380.731 3.144 20 5 GGBDMN CCN1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C[C@@H]1C ZINC000579137092 566584104 /nfs/dbraw/zinc/58/41/04/566584104.db2.gz BHLDUVOZYGVAPD-QWRGUYRKSA-N 0 1 384.274 3.220 20 5 GGBDMN CC[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)NC ZINC000449775497 566600535 /nfs/dbraw/zinc/60/05/35/566600535.db2.gz NFECIMVXRZRUSS-CQSZACIVSA-N 0 1 396.241 3.232 20 5 GGBDMN CO[C@@]1(C)C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000466870806 566602814 /nfs/dbraw/zinc/60/28/14/566602814.db2.gz OOWGALVKMDVYNG-FZMZJTMJSA-N 0 1 397.280 3.384 20 5 GGBDMN CO[C@]1(C)C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000466870808 566603374 /nfs/dbraw/zinc/60/33/74/566603374.db2.gz OOWGALVKMDVYNG-SMDDNHRTSA-N 0 1 397.280 3.384 20 5 GGBDMN CO[C@@]1(C)C[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000466870807 566603543 /nfs/dbraw/zinc/60/35/43/566603543.db2.gz OOWGALVKMDVYNG-RISCZKNCSA-N 0 1 397.280 3.384 20 5 GGBDMN Cc1cncc(CNCc2cc(I)cc([N+](=O)[O-])c2)c1 ZINC000579411828 566606596 /nfs/dbraw/zinc/60/65/96/566606596.db2.gz BEXWZBOTMLOOBJ-UHFFFAOYSA-N 0 1 383.189 3.193 20 5 GGBDMN O=C(NCc1ccsc1Br)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000514013907 566637257 /nfs/dbraw/zinc/63/72/57/566637257.db2.gz SLKWJFBIRHUVIB-UHFFFAOYSA-N 0 1 381.211 3.225 20 5 GGBDMN CN(C)C(=O)C1(NCc2ccc(Br)cc2[N+](=O)[O-])CCCCC1 ZINC000425491070 566649242 /nfs/dbraw/zinc/64/92/42/566649242.db2.gz LRMWZIYXVKVMED-UHFFFAOYSA-N 0 1 384.274 3.238 20 5 GGBDMN C[C@]1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCCS1 ZINC000467758577 566662950 /nfs/dbraw/zinc/66/29/50/566662950.db2.gz OUAITSHOANXGGL-GFCCVEGCSA-N 0 1 385.294 3.466 20 5 GGBDMN CC(C)[NH+](CCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000467779659 566665742 /nfs/dbraw/zinc/66/57/42/566665742.db2.gz DJICXLLJXLQECY-UHFFFAOYSA-N 0 1 377.894 3.035 20 5 GGBDMN CC[N@H+]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000561358612 566698492 /nfs/dbraw/zinc/69/84/92/566698492.db2.gz IXYJZNMKQYTTRD-NSHDSACASA-N 0 1 379.258 3.436 20 5 GGBDMN CCN1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000561358612 566698498 /nfs/dbraw/zinc/69/84/98/566698498.db2.gz IXYJZNMKQYTTRD-NSHDSACASA-N 0 1 379.258 3.436 20 5 GGBDMN C[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000515345681 566706990 /nfs/dbraw/zinc/70/69/90/566706990.db2.gz KGTMFURRZFBPIZ-QMMMGPOBSA-N 0 1 376.221 3.336 20 5 GGBDMN CCN(CCN1CCCCCC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000561563970 566721807 /nfs/dbraw/zinc/72/18/07/566721807.db2.gz UZLCXMYETDOXBN-UHFFFAOYSA-N 0 1 389.905 3.135 20 5 GGBDMN CCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1Cl ZINC000468862937 566738689 /nfs/dbraw/zinc/73/86/89/566738689.db2.gz HQUUUVVSDIWXGY-UHFFFAOYSA-N 0 1 386.813 3.456 20 5 GGBDMN Cc1[nH]nc(C(=O)N(Cc2ccc(Br)cc2)C(C)C)c1[N+](=O)[O-] ZINC000609167244 566752436 /nfs/dbraw/zinc/75/24/36/566752436.db2.gz ZOPBVMDBYVFYOM-UHFFFAOYSA-N 0 1 381.230 3.440 20 5 GGBDMN CS(=O)(=O)c1ccc(NCc2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000609497170 566767423 /nfs/dbraw/zinc/76/74/23/566767423.db2.gz YCZCEYSTEGXXDM-UHFFFAOYSA-N 0 1 380.813 3.140 20 5 GGBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H]1CCCCS1 ZINC000542239944 566786951 /nfs/dbraw/zinc/78/69/51/566786951.db2.gz NIKKXYAXPLRHNN-VIFPVBQESA-N 0 1 385.294 3.466 20 5 GGBDMN COC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000609819508 566788881 /nfs/dbraw/zinc/78/88/81/566788881.db2.gz QAGQECCDLNGGFT-UHFFFAOYSA-N 0 1 384.797 3.144 20 5 GGBDMN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000427749077 566794421 /nfs/dbraw/zinc/79/44/21/566794421.db2.gz NPRASBXMVTUWCB-UHFFFAOYSA-N 0 1 384.797 3.226 20 5 GGBDMN C[C@@H]1C[C@@H]1[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000610266512 566820929 /nfs/dbraw/zinc/82/09/29/566820929.db2.gz IFXBHMXIOPCHAX-DGFSRKRXSA-N 0 1 381.841 3.319 20 5 GGBDMN O=[N+]([O-])c1ccccc1OCCN[C@H](CCO)c1ccccc1Br ZINC000542881582 566833887 /nfs/dbraw/zinc/83/38/87/566833887.db2.gz JUTWREPBFZOILY-OAHLLOKOSA-N 0 1 395.253 3.449 20 5 GGBDMN Cc1ccc(Br)c(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000563007216 566843323 /nfs/dbraw/zinc/84/33/23/566843323.db2.gz GHYKLTQDLGNBEL-CQSZACIVSA-N 0 1 395.253 3.195 20 5 GGBDMN CSCc1cccc(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000563013159 566844074 /nfs/dbraw/zinc/84/40/74/566844074.db2.gz GWSWCIIQXXMPDJ-UHFFFAOYSA-N 0 1 380.491 3.021 20 5 GGBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2c2ccccc2Br)c1[N+](=O)[O-] ZINC000610672356 566853122 /nfs/dbraw/zinc/85/31/22/566853122.db2.gz FHFMDPOYIMRXBT-LBPRGKRZSA-N 0 1 379.214 3.366 20 5 GGBDMN C[C@@]1(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000543246866 566866542 /nfs/dbraw/zinc/86/65/42/566866542.db2.gz XVBPUKIKLNOTNA-ZIAGYGMSSA-N 0 1 395.264 3.138 20 5 GGBDMN C[C@@]1(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000543246865 566866780 /nfs/dbraw/zinc/86/67/80/566866780.db2.gz XVBPUKIKLNOTNA-UONOGXRCSA-N 0 1 395.264 3.138 20 5 GGBDMN C[C@]1(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000543246863 566867235 /nfs/dbraw/zinc/86/72/35/566867235.db2.gz XVBPUKIKLNOTNA-KBPBESRZSA-N 0 1 395.264 3.138 20 5 GGBDMN CCCc1[nH]nc(C(=O)N2CCc3sc(Br)cc3C2)c1[N+](=O)[O-] ZINC000610938042 566876258 /nfs/dbraw/zinc/87/62/58/566876258.db2.gz BACLGODKMSCIET-UHFFFAOYSA-N 0 1 399.270 3.293 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2ccc(C(F)(F)F)s2)cc1 ZINC000428863263 566886324 /nfs/dbraw/zinc/88/63/24/566886324.db2.gz XNCSBGNITCZMSO-UHFFFAOYSA-N 0 1 394.396 3.239 20 5 GGBDMN C[C@@H]1CCC[N@@H+](C(C)(C)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000518658824 566898476 /nfs/dbraw/zinc/89/84/76/566898476.db2.gz UILINFKHJKYDMH-GFCCVEGCSA-N 0 1 389.905 3.037 20 5 GGBDMN C[C@@H]1CCC[N@H+](C(C)(C)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000518658824 566898485 /nfs/dbraw/zinc/89/84/85/566898485.db2.gz UILINFKHJKYDMH-GFCCVEGCSA-N 0 1 389.905 3.037 20 5 GGBDMN O=[N+]([O-])c1ccccc1OCCN[C@H](CO)c1ccc(Br)c(F)c1 ZINC000429038544 566904815 /nfs/dbraw/zinc/90/48/15/566904815.db2.gz WZIPWDIBFWFHBU-CQSZACIVSA-N 0 1 399.216 3.198 20 5 GGBDMN CCn1ccnc1[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000451927722 566909883 /nfs/dbraw/zinc/90/98/83/566909883.db2.gz LAXGFVOZRXEPSD-MRVPVSSYSA-N 0 1 393.252 3.158 20 5 GGBDMN C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000611469289 566918784 /nfs/dbraw/zinc/91/87/84/566918784.db2.gz CZTCJHCOHALICR-UFBFGSQYSA-N 0 1 383.253 3.138 20 5 GGBDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611505727 566922359 /nfs/dbraw/zinc/92/23/59/566922359.db2.gz NFURVKZGZTVQBV-UHFFFAOYSA-N 0 1 376.722 3.271 20 5 GGBDMN CCn1cc([C@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cn1 ZINC000452012402 566923081 /nfs/dbraw/zinc/92/30/81/566923081.db2.gz XPBOCONNDFKUKJ-QMMMGPOBSA-N 0 1 393.252 3.158 20 5 GGBDMN CC(C)N1CC[C@@H](N(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000452101344 566934694 /nfs/dbraw/zinc/93/46/94/566934694.db2.gz GFICPBKVZNDBGS-LLVKDONJSA-N 0 1 396.296 3.005 20 5 GGBDMN C[C@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000544650793 566976938 /nfs/dbraw/zinc/97/69/38/566976938.db2.gz SNOYCUISPFFSNZ-SSDOTTSWSA-N 0 1 396.277 3.440 20 5 GGBDMN CCCc1[nH]nc(C(=O)N(C)Cc2cc(Br)ccc2F)c1[N+](=O)[O-] ZINC000520303904 566996148 /nfs/dbraw/zinc/99/61/48/566996148.db2.gz NDHIABFKPYQBAS-UHFFFAOYSA-N 0 1 399.220 3.444 20 5 GGBDMN C[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000564809258 567011081 /nfs/dbraw/zinc/01/10/81/567011081.db2.gz KGTMFURRZFBPIZ-MRVPVSSYSA-N 0 1 376.221 3.336 20 5 GGBDMN Cc1[nH]nc(C(=O)N2CC[C@H](c3cccc(Br)c3)C2)c1[N+](=O)[O-] ZINC000452843604 567023982 /nfs/dbraw/zinc/02/39/82/567023982.db2.gz JJIFWOAPWIKSHS-NSHDSACASA-N 0 1 379.214 3.019 20 5 GGBDMN COc1nc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2s1 ZINC000430978870 567043478 /nfs/dbraw/zinc/04/34/78/567043478.db2.gz RLJRRBJEYFSSLU-UHFFFAOYSA-N 0 1 379.419 3.322 20 5 GGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCc3c2cccc3Cl)cc1 ZINC000565677876 567089405 /nfs/dbraw/zinc/08/94/05/567089405.db2.gz KZBRIVFXUWVRJH-QGZVFWFLSA-N 0 1 380.853 3.299 20 5 GGBDMN Cc1c(Br)c(NCCc2ccc3cn[nH]c3c2)ncc1[N+](=O)[O-] ZINC000588048726 567110884 /nfs/dbraw/zinc/11/08/84/567110884.db2.gz XAGQEQSIJGGNON-UHFFFAOYSA-N 0 1 376.214 3.014 20 5 GGBDMN O=C1CCc2cc(Cl)c(NS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])cc21 ZINC000432076159 567131011 /nfs/dbraw/zinc/13/10/11/567131011.db2.gz GNBMPTYWIRQTNO-UHFFFAOYSA-N 0 1 384.772 3.317 20 5 GGBDMN Cc1c(Br)cc(C(=O)NCCN2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000546577864 567139524 /nfs/dbraw/zinc/13/95/24/567139524.db2.gz WOUXPAJBASPHHQ-UHFFFAOYSA-N 0 1 382.258 3.048 20 5 GGBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H]1CCCSC1 ZINC000566338380 567150089 /nfs/dbraw/zinc/15/00/89/567150089.db2.gz PPGRTBOKOUBRQJ-MRVPVSSYSA-N 0 1 385.294 3.323 20 5 GGBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H]1CCCSC1 ZINC000566338387 567150238 /nfs/dbraw/zinc/15/02/38/567150238.db2.gz PPGRTBOKOUBRQJ-QMMMGPOBSA-N 0 1 385.294 3.323 20 5 GGBDMN CCOC[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000474399174 567168028 /nfs/dbraw/zinc/16/80/28/567168028.db2.gz XWAWUCMZOGJAOX-LLVKDONJSA-N 0 1 385.269 3.241 20 5 GGBDMN O=[N+]([O-])c1cnn(CCNCc2cc(C(F)(F)F)ccc2Br)c1 ZINC000589315654 567175146 /nfs/dbraw/zinc/17/51/46/567175146.db2.gz LOXGFSUHBYWFAM-UHFFFAOYSA-N 0 1 393.163 3.362 20 5 GGBDMN Cc1ccc(S(=O)(=O)Nc2cnc(C(F)(F)F)cc2C)cc1[N+](=O)[O-] ZINC000589558040 567183605 /nfs/dbraw/zinc/18/36/05/567183605.db2.gz SRRRKEXHSIVARY-UHFFFAOYSA-N 0 1 375.328 3.426 20 5 GGBDMN CN1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000432753780 567186347 /nfs/dbraw/zinc/18/63/47/567186347.db2.gz WRONRBNZSMLPQL-UHFFFAOYSA-N 0 1 396.285 3.448 20 5 GGBDMN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2cc(F)cc(F)c2)c1 ZINC000524568630 567204029 /nfs/dbraw/zinc/20/40/29/567204029.db2.gz RCOWIPWAUGNSAC-UHFFFAOYSA-N 0 1 393.165 3.436 20 5 GGBDMN O=[N+]([O-])c1ccc(OCCN[C@@H](CCO)c2ccccc2Br)cc1 ZINC000567303608 567234615 /nfs/dbraw/zinc/23/46/15/567234615.db2.gz ZHTJOKJJWHLHDO-KRWDZBQOSA-N 0 1 395.253 3.449 20 5 GGBDMN C[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC000525698516 567259690 /nfs/dbraw/zinc/25/96/90/567259690.db2.gz IPTWRGOSYVSECY-VIFPVBQESA-N 0 1 375.328 3.048 20 5 GGBDMN Cc1cccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])c1Br ZINC000567701639 567269007 /nfs/dbraw/zinc/26/90/07/567269007.db2.gz HHEDRPRZIPDFBW-AWEZNQCLSA-N 0 1 395.253 3.195 20 5 GGBDMN CN(Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000567795714 567278458 /nfs/dbraw/zinc/27/84/58/567278458.db2.gz KASYVMZZQXUVTF-CQSZACIVSA-N 0 1 390.221 3.200 20 5 GGBDMN O=C(N[C@H]1C[C@H]1c1cccc(Br)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000548123523 567281781 /nfs/dbraw/zinc/28/17/81/567281781.db2.gz MPRSZHGPOSTTDR-GJZGRUSLSA-N 0 1 377.194 3.349 20 5 GGBDMN CN1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000433966429 567285667 /nfs/dbraw/zinc/28/56/67/567285667.db2.gz HZZJILPJKDCCMO-UHFFFAOYSA-N 0 1 396.285 3.448 20 5 GGBDMN COc1ccnc(NCc2cc(I)cc([N+](=O)[O-])c2)c1 ZINC000568128581 567305703 /nfs/dbraw/zinc/30/57/03/567305703.db2.gz AGLAKCAARJZGGF-UHFFFAOYSA-N 0 1 385.161 3.215 20 5 GGBDMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCCCN1C1CC1 ZINC000434443188 567308424 /nfs/dbraw/zinc/30/84/24/567308424.db2.gz VLHDUJBCCKCTCF-CQSZACIVSA-N 0 1 383.901 3.473 20 5 GGBDMN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000476285719 567312214 /nfs/dbraw/zinc/31/22/14/567312214.db2.gz KWPVLUOLKKXEIM-UHFFFAOYSA-N 0 1 384.797 3.144 20 5 GGBDMN Cc1[nH]nc(C(=O)N(Cc2cccc(Br)c2)CC2CC2)c1[N+](=O)[O-] ZINC000476561405 567334846 /nfs/dbraw/zinc/33/48/46/567334846.db2.gz MYZFSCWQHXKQEE-UHFFFAOYSA-N 0 1 393.241 3.441 20 5 GGBDMN Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C[NH+](C)C)c2)c([N+](=O)[O-])c1 ZINC000500796318 567345863 /nfs/dbraw/zinc/34/58/63/567345863.db2.gz RGYXIKICOUPVHI-UHFFFAOYSA-N 0 1 383.857 3.419 20 5 GGBDMN CC(C)[N@@H+]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000435442105 567368312 /nfs/dbraw/zinc/36/83/12/567368312.db2.gz GPJCEWNKTNPASI-LLVKDONJSA-N 0 1 396.296 3.053 20 5 GGBDMN CC(C)[N@H+]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000435442105 567368318 /nfs/dbraw/zinc/36/83/18/567368318.db2.gz GPJCEWNKTNPASI-LLVKDONJSA-N 0 1 396.296 3.053 20 5 GGBDMN CCCN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000592829770 567368475 /nfs/dbraw/zinc/36/84/75/567368475.db2.gz YJBXERFDNANUSQ-ZDUSSCGKSA-N 0 1 384.274 3.222 20 5 GGBDMN O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1c[nH]nc1[N+](=O)[O-] ZINC000549159067 567377370 /nfs/dbraw/zinc/37/73/70/567377370.db2.gz PQBXAFKQANAUKC-UHFFFAOYSA-N 0 1 396.841 3.367 20 5 GGBDMN CC[C@H](C)N1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 ZINC000456523680 567388804 /nfs/dbraw/zinc/38/88/04/567388804.db2.gz FOIXZFGFNPGSIF-NSHDSACASA-N 0 1 384.274 3.222 20 5 GGBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Br)cn1 ZINC000477773313 567416102 /nfs/dbraw/zinc/41/61/02/567416102.db2.gz ZCFQSTDZUSFQIM-QMMMGPOBSA-N 0 1 390.197 3.120 20 5 GGBDMN O=[N+]([O-])c1ccc(CNC[C@H](O)COc2ccccc2Br)c(F)c1 ZINC000478203523 567441874 /nfs/dbraw/zinc/44/18/74/567441874.db2.gz IYPAMXRAQFXBBV-ZDUSSCGKSA-N 0 1 399.216 3.026 20 5 GGBDMN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1sc(Br)cc1[N+](=O)[O-] ZINC000594195939 567465085 /nfs/dbraw/zinc/46/50/85/567465085.db2.gz JEHQNAHIHQTDME-VHSXEESVSA-N 0 1 388.287 3.166 20 5 GGBDMN CCC(C)(C)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000594389889 567472505 /nfs/dbraw/zinc/47/25/05/567472505.db2.gz PQJMJLHQRKAGIR-UHFFFAOYSA-N 0 1 384.274 3.304 20 5 GGBDMN COc1ccc(CNCc2cccc(I)c2)cc1[N+](=O)[O-] ZINC000551185059 567485940 /nfs/dbraw/zinc/48/59/40/567485940.db2.gz MTKFYQLSZRMZNJ-UHFFFAOYSA-N 0 1 398.200 3.498 20 5 GGBDMN Cc1ccc(SCCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000570479592 567488761 /nfs/dbraw/zinc/48/87/61/567488761.db2.gz JTPLIFGQGKXXSL-UHFFFAOYSA-N 0 1 380.491 3.059 20 5 GGBDMN CC(C)[C@H](NS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C(F)(F)F ZINC000594724503 567503775 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0 1 388.829 3.206 20 5 GGBDMN COc1ccc(Br)cc1CN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505458114 567577207 /nfs/dbraw/zinc/57/72/07/567577207.db2.gz REFQJWGHHUNCJF-UHFFFAOYSA-N 0 1 395.209 3.344 20 5 GGBDMN C[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505925609 567603530 /nfs/dbraw/zinc/60/35/30/567603530.db2.gz VDCROISGFXGYID-SNVBAGLBSA-N 0 1 379.210 3.424 20 5 GGBDMN O=C(NCCc1ccc(F)c(Br)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506105083 567610837 /nfs/dbraw/zinc/61/08/37/567610837.db2.gz HJPLTIWNNPNYNN-UHFFFAOYSA-N 0 1 383.173 3.175 20 5 GGBDMN C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)N(C)C ZINC000530967571 567634144 /nfs/dbraw/zinc/63/41/44/567634144.db2.gz BGGAMSQCPYNBDM-SNVBAGLBSA-N 0 1 396.241 3.184 20 5 GGBDMN O=C(N[C@@H]1COc2cc(F)c(Br)cc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506673331 567638103 /nfs/dbraw/zinc/63/81/03/567638103.db2.gz WUUCWQRPUOUZDW-CYBMUJFWSA-N 0 1 397.156 3.066 20 5 GGBDMN O=[N+]([O-])c1cnn(CCSc2nc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000531066241 567639222 /nfs/dbraw/zinc/63/92/22/567639222.db2.gz ACUWQPCZFLFUDX-UHFFFAOYSA-N 0 1 395.242 3.131 20 5 GGBDMN Cn1cnc([N+](=O)[O-])c1CSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000531106103 567640843 /nfs/dbraw/zinc/64/08/43/567640843.db2.gz LZLMGMJOCLKWQW-UHFFFAOYSA-N 0 1 395.242 3.168 20 5 GGBDMN O=C(Nc1nc2cc(Br)ccc2[nH]1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506772656 567643366 /nfs/dbraw/zinc/64/33/66/567643366.db2.gz CWYLURLYBOUXEM-UHFFFAOYSA-N 0 1 377.154 3.192 20 5 GGBDMN O=[N+]([O-])c1cc(Cl)ccc1N1CCN(CCCOCC(F)(F)F)CC1 ZINC000506944501 567650566 /nfs/dbraw/zinc/65/05/66/567650566.db2.gz LSBVNBIPNODXJY-UHFFFAOYSA-N 0 1 381.782 3.339 20 5 GGBDMN CCCN1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000506995703 567653071 /nfs/dbraw/zinc/65/30/71/567653071.db2.gz UIIOKDPSLVBIJD-UHFFFAOYSA-N 0 1 379.258 3.438 20 5 GGBDMN O=C(Nc1ncc(C(F)(F)F)[nH]1)c1ccc([N+](=O)[O-])cc1Br ZINC000507027241 567655549 /nfs/dbraw/zinc/65/55/49/567655549.db2.gz LIJSXVRRJUWJTN-UHFFFAOYSA-N 0 1 379.092 3.352 20 5 GGBDMN COc1cc([N+](=O)[O-])c(C(=O)Nc2ncc(C(F)(F)F)[nH]2)cc1SC ZINC000507027980 567656151 /nfs/dbraw/zinc/65/61/51/567656151.db2.gz QJJAJLZJJIIRSV-UHFFFAOYSA-N 0 1 376.316 3.320 20 5 GGBDMN O=C(NCC1(c2ccc(Br)cc2Cl)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000507086820 567658405 /nfs/dbraw/zinc/65/84/05/567658405.db2.gz OIPRZMHUHNXTQN-UHFFFAOYSA-N 0 1 399.632 3.195 20 5 GGBDMN CO[C@@H]1COC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000459756290 567658692 /nfs/dbraw/zinc/65/86/92/567658692.db2.gz NXOCCTUHEOUDRV-GOEBONIOSA-N 0 1 397.225 3.121 20 5 GGBDMN COCCC1(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000481225636 567663647 /nfs/dbraw/zinc/66/36/47/567663647.db2.gz AVOXJCMXPPCNNN-UHFFFAOYSA-N 0 1 383.253 3.139 20 5 GGBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H](CO)C1CCCCC1 ZINC000532772973 567734660 /nfs/dbraw/zinc/73/46/60/567734660.db2.gz FSQYXFSCQPOHMG-GFCCVEGCSA-N 0 1 397.280 3.121 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CC(Oc3cccc(Cl)c3Cl)C2)c1[N+](=O)[O-] ZINC000598063563 567737300 /nfs/dbraw/zinc/73/73/00/567737300.db2.gz AWGVKZHNNKDOLO-UHFFFAOYSA-N 0 1 385.207 3.091 20 5 GGBDMN C[C@]1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCCC[C@H]1O ZINC000443352640 567751473 /nfs/dbraw/zinc/75/14/73/567751473.db2.gz DOKBZKDUZXHENN-TZMCWYRMSA-N 0 1 397.280 3.121 20 5 GGBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H](O)C1CCCCC1 ZINC000443371869 567752129 /nfs/dbraw/zinc/75/21/29/567752129.db2.gz IQOKZWMVPQWIDD-ZDUSSCGKSA-N 0 1 397.280 3.121 20 5 GGBDMN C[C@@H]1CN(C)[C@@H](C)CN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000443504574 567764502 /nfs/dbraw/zinc/76/45/02/567764502.db2.gz YCYXAHNVLMIKHG-WDEREUQCSA-N 0 1 379.258 3.434 20 5 GGBDMN Cc1ccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1O ZINC000462104877 567772325 /nfs/dbraw/zinc/77/23/25/567772325.db2.gz RSOHUCYMQPXNAD-UHFFFAOYSA-N 0 1 387.211 3.172 20 5 GGBDMN CCc1[nH]nc(C(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)c1[N+](=O)[O-] ZINC000444351896 567802652 /nfs/dbraw/zinc/80/26/52/567802652.db2.gz LMEBLLYURWBOHL-VIFPVBQESA-N 0 1 393.241 3.230 20 5 GGBDMN CCc1[nH]nc(C(=O)N2Cc3cc(Br)ccc3C[C@H]2C)c1[N+](=O)[O-] ZINC000444351895 567802956 /nfs/dbraw/zinc/80/29/56/567802956.db2.gz LMEBLLYURWBOHL-SECBINFHSA-N 0 1 393.241 3.230 20 5 GGBDMN O=C1CCCN1c1ccccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007726593 571023952 /nfs/dbraw/zinc/02/39/52/571023952.db2.gz WZTPGROMCJDIET-UHFFFAOYSA-N 0 1 395.824 3.176 20 5 GGBDMN O=C([O-])/C=C\c1ccc(Nc2cccc(C[NH+]3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000739624942 599707146 /nfs/dbraw/zinc/70/71/46/599707146.db2.gz NFUOWHNABBOCOY-ALCCZGGFSA-N 0 1 383.404 3.268 20 5 GGBDMN C[C@H](C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1)C(=O)[O-] ZINC000736583189 599888450 /nfs/dbraw/zinc/88/84/50/599888450.db2.gz LJVOQWYDKLRWQV-CQSZACIVSA-N 0 1 396.403 3.368 20 5 GGBDMN C[C@@H](C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1)C(=O)[O-] ZINC000736583188 599888459 /nfs/dbraw/zinc/88/84/59/599888459.db2.gz LJVOQWYDKLRWQV-AWEZNQCLSA-N 0 1 396.403 3.368 20 5 GGBDMN 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C[C@@H]1C[C@@H](c2ccccc2)CN1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000115512600 1412698457 /nfs/dbraw/zinc/69/84/57/1412698457.db2.gz APSIRNXWKUKNKS-NVXWUHKLSA-N 0 1 394.431 3.199 20 5 GGBDMN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1=O ZINC000115571061 1412715122 /nfs/dbraw/zinc/71/51/22/1412715122.db2.gz IKLMOGZFPYDIIC-IBGZPJMESA-N 0 1 396.447 3.051 20 5 GGBDMN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115571059 1412715195 /nfs/dbraw/zinc/71/51/95/1412715195.db2.gz IKLMOGZFPYDIIC-LJQANCHMSA-N 0 1 396.447 3.051 20 5 GGBDMN O=C(C[C@H]1OCCc2ccccc21)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000115712302 1412771906 /nfs/dbraw/zinc/77/19/06/1412771906.db2.gz QESVQXGUOKYVQQ-MRXNPFEDSA-N 0 1 379.376 3.023 20 5 GGBDMN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000177309817 1428681751 /nfs/dbraw/zinc/68/17/51/1428681751.db2.gz KKDDLCKBULQFLV-DQQVXTMASA-N 0 1 386.433 3.042 20 5 GGBDMN O=[N+]([O-])c1ccc(-c2nnc(CSc3nc(-c4ccccn4)n[nH]3)o2)cc1 ZINC000117116669 1413002373 /nfs/dbraw/zinc/00/23/73/1413002373.db2.gz KPNBRBGWMDULSR-UHFFFAOYSA-N 0 1 381.377 3.117 20 5 GGBDMN CN(C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000117760720 1413076451 /nfs/dbraw/zinc/07/64/51/1413076451.db2.gz QTLUQBUJPNJXNJ-KRWDZBQOSA-N 0 1 379.819 3.349 20 5 GGBDMN COc1ccc(-c2n[nH]c(CNC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2)cc1 ZINC000118007064 1413095870 /nfs/dbraw/zinc/09/58/70/1413095870.db2.gz WPUNAEOEXSNERK-UHFFFAOYSA-N 0 1 382.380 3.019 20 5 GGBDMN COc1ccc(-c2nc(CNC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000118007064 1413095873 /nfs/dbraw/zinc/09/58/73/1413095873.db2.gz WPUNAEOEXSNERK-UHFFFAOYSA-N 0 1 382.380 3.019 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC(C)(C)c1nc(C)cs1 ZINC000118849129 1413244927 /nfs/dbraw/zinc/24/49/27/1413244927.db2.gz UCAZEWZVJXIKAP-UHFFFAOYSA-N 0 1 378.454 3.222 20 5 GGBDMN Cc1cc2oc(=O)cc(CN3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)c2cc1C ZINC000118866561 1413252763 /nfs/dbraw/zinc/25/27/63/1413252763.db2.gz UTMVWSOQPUQMEP-MRXNPFEDSA-N 0 1 394.431 3.399 20 5 GGBDMN CCc1ccc2c(CN3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc(=O)oc2c1 ZINC000118865992 1413254010 /nfs/dbraw/zinc/25/40/10/1413254010.db2.gz IIHBSHNDSRPQDS-MRXNPFEDSA-N 0 1 394.431 3.345 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC000177386349 1428713818 /nfs/dbraw/zinc/71/38/18/1428713818.db2.gz GHYVTZNNEKALKN-SNVBAGLBSA-N 0 1 399.234 3.481 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC000177386335 1428713953 /nfs/dbraw/zinc/71/39/53/1428713953.db2.gz GHYVTZNNEKALKN-JTQLQIEISA-N 0 1 399.234 3.481 20 5 GGBDMN CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)[C@@H]1CCCN(C)C1 ZINC000119129218 1413348356 /nfs/dbraw/zinc/34/83/56/1413348356.db2.gz JBMITMANDOURHT-GOSISDBHSA-N 0 1 382.464 3.373 20 5 GGBDMN C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000119232711 1413383292 /nfs/dbraw/zinc/38/32/92/1413383292.db2.gz XGJDTEDSQCUTGJ-HNNXBMFYSA-N 0 1 375.469 3.417 20 5 GGBDMN CSCC[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1nnc2ccccn21 ZINC000119944380 1413627132 /nfs/dbraw/zinc/62/71/32/1413627132.db2.gz MVHUXJDAVKRKRR-INIZCTEOSA-N 0 1 387.465 3.100 20 5 GGBDMN C[C@@H]1CN(c2ccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 ZINC000120010720 1413652268 /nfs/dbraw/zinc/65/22/68/1413652268.db2.gz SPNVLAHXANKAOK-VXGBXAGGSA-N 0 1 397.478 3.071 20 5 GGBDMN O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000120178096 1413719913 /nfs/dbraw/zinc/71/99/13/1413719913.db2.gz BHWOATVMCZLIBG-UHFFFAOYSA-N 0 1 395.824 3.176 20 5 GGBDMN CN(C)[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000120463432 1413823613 /nfs/dbraw/zinc/82/36/13/1413823613.db2.gz JGTKEUTWIJBUQH-LJQANCHMSA-N 0 1 386.427 3.105 20 5 GGBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(F)c(F)c2)ccc1Br ZINC000120546706 1413840812 /nfs/dbraw/zinc/84/08/12/1413840812.db2.gz DSAJYBPAIYJREO-UHFFFAOYSA-N 0 1 393.165 3.436 20 5 GGBDMN CN(C(=O)CN1CCC(c2c[nH]c3ncccc23)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000120617187 1413856812 /nfs/dbraw/zinc/85/68/12/1413856812.db2.gz IVCYINPGORPQRN-UHFFFAOYSA-N 0 1 393.447 3.314 20 5 GGBDMN COc1ccc(CN2CCC(C(=O)Nc3ccc(C)cn3)CC2)cc1[N+](=O)[O-] ZINC000120638428 1413862643 /nfs/dbraw/zinc/86/26/43/1413862643.db2.gz IYRSXESTKIBNEK-UHFFFAOYSA-N 0 1 384.436 3.158 20 5 GGBDMN CN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cc2)CC1 ZINC000120741940 1413890143 /nfs/dbraw/zinc/89/01/43/1413890143.db2.gz QNUUIZXIKIOCKQ-UHFFFAOYSA-N 0 1 391.431 3.147 20 5 GGBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)nc2)ccc1Br ZINC000120747606 1413891600 /nfs/dbraw/zinc/89/16/00/1413891600.db2.gz LIKNREIHNMACTL-UHFFFAOYSA-N 0 1 392.618 3.207 20 5 GGBDMN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120965816 1413962726 /nfs/dbraw/zinc/96/27/26/1413962726.db2.gz KVCIEFUKWJIZHL-NSHDSACASA-N 0 1 375.816 3.264 20 5 GGBDMN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000121054271 1413990191 /nfs/dbraw/zinc/99/01/91/1413990191.db2.gz VTXFBPBVWXPTCS-LLVKDONJSA-N 0 1 375.816 3.264 20 5 GGBDMN CC(C)[C@@H](CO)N(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000121101592 1414008408 /nfs/dbraw/zinc/00/84/08/1414008408.db2.gz UAIKPTJGPZMXEV-OAQYLSRUSA-N 0 1 397.475 3.003 20 5 GGBDMN CCCCNC(=O)[C@H]1CC[C@H](C)N(Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121119870 1414014190 /nfs/dbraw/zinc/01/41/90/1414014190.db2.gz SCELCBHKJOBAGF-HOCLYGCPSA-N 0 1 387.484 3.227 20 5 GGBDMN CCC[C@H](C)NC(=O)[C@H]1CCCN(Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121141593 1414022185 /nfs/dbraw/zinc/02/21/85/1414022185.db2.gz WEKLAIOVGFCWDT-HOCLYGCPSA-N 0 1 387.484 3.227 20 5 GGBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000121163673 1414029517 /nfs/dbraw/zinc/02/95/17/1414029517.db2.gz VEPFPKCYIXNQIF-KBPBESRZSA-N 0 1 377.466 3.257 20 5 GGBDMN COc1cc([N+](=O)[O-])c(C(=O)N2CCN(C)CC23CCCCC3)cc1SC ZINC000177515103 1428777891 /nfs/dbraw/zinc/77/78/91/1428777891.db2.gz OHICXQHIJOMCHV-UHFFFAOYSA-N 0 1 393.509 3.416 20 5 GGBDMN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1ccc(F)cc1F ZINC000121574007 1414183424 /nfs/dbraw/zinc/18/34/24/1414183424.db2.gz HCPJZCYVKUDEPW-UHFFFAOYSA-N 0 1 393.165 3.436 20 5 GGBDMN NC(=O)c1ccc(CN2CCCCC[C@@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])c1 ZINC000121917617 1414306397 /nfs/dbraw/zinc/30/63/97/1414306397.db2.gz MTOJBWZSUUYTPP-AEFFLSMTSA-N 0 1 387.436 3.155 20 5 GGBDMN NC(=O)c1ccc(CN2CCCCC[C@@H]2C[C@@H](O)c2ccco2)c([N+](=O)[O-])c1 ZINC000121917449 1414306805 /nfs/dbraw/zinc/30/68/05/1414306805.db2.gz MTOJBWZSUUYTPP-SJLPKXTDSA-N 0 1 387.436 3.155 20 5 GGBDMN NC(=O)c1ccc(CN2CCCCC[C@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])c1 ZINC000121917317 1414306965 /nfs/dbraw/zinc/30/69/65/1414306965.db2.gz MTOJBWZSUUYTPP-WMZOPIPTSA-N 0 1 387.436 3.155 20 5 GGBDMN COc1ccc(OCCN2CCC[C@@H](c3nncn3C(C)C)C2)c([N+](=O)[O-])c1 ZINC000122337460 1414427772 /nfs/dbraw/zinc/42/77/72/1414427772.db2.gz MHGJMUXGYFHLBP-OAHLLOKOSA-N 0 1 389.456 3.034 20 5 GGBDMN Cc1ccc(NC(=O)NCCCN2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000122409003 1414449702 /nfs/dbraw/zinc/44/97/02/1414449702.db2.gz PUBPFTGFXJRYDO-UHFFFAOYSA-N 0 1 397.479 3.237 20 5 GGBDMN CNC(=O)C1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000122526502 1414490601 /nfs/dbraw/zinc/49/06/01/1414490601.db2.gz LRORLDZIVVBGMS-UHFFFAOYSA-N 0 1 382.464 3.321 20 5 GGBDMN CCN(CC)[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccco1 ZINC000122587098 1414508740 /nfs/dbraw/zinc/50/87/40/1414508740.db2.gz CAZNQKHWBFAEKS-SFHVURJKSA-N 0 1 386.452 3.339 20 5 GGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000122865615 1414583821 /nfs/dbraw/zinc/58/38/21/1414583821.db2.gz OZHNHEUNFLOEHB-INIZCTEOSA-N 0 1 376.388 3.167 20 5 GGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000123089354 1414638547 /nfs/dbraw/zinc/63/85/47/1414638547.db2.gz HHDDBHKCMLYTBG-MRXNPFEDSA-N 0 1 388.424 3.463 20 5 GGBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000123144337 1414653048 /nfs/dbraw/zinc/65/30/48/1414653048.db2.gz QJRPAJNTAQUTRR-GOEBONIOSA-N 0 1 390.415 3.138 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H](c1ccccc1)c1ccccn1 ZINC000123672343 1414807157 /nfs/dbraw/zinc/80/71/57/1414807157.db2.gz NTOPGIIMNGEHLJ-QGZVFWFLSA-N 0 1 387.392 3.197 20 5 GGBDMN Cc1c(NC(=O)NCCCN2CCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000123676734 1414807971 /nfs/dbraw/zinc/80/79/71/1414807971.db2.gz GSEZQOQRUBDRLE-UHFFFAOYSA-N 0 1 397.479 3.237 20 5 GGBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123708797 1414813039 /nfs/dbraw/zinc/81/30/39/1414813039.db2.gz VXDBCCHGASECCK-LSDHHAIUSA-N 0 1 396.451 3.394 20 5 GGBDMN COc1cc(CNC[C@@H](O)c2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1O ZINC000124227630 1414914068 /nfs/dbraw/zinc/91/40/68/1414914068.db2.gz CJMLSPGTONMHIH-CQSZACIVSA-N 0 1 387.219 3.439 20 5 GGBDMN COc1cc(S(=O)(=O)Nc2cc(Cl)c(N)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000124485644 1414979644 /nfs/dbraw/zinc/97/96/44/1414979644.db2.gz GPFMXFMOHXDONY-UHFFFAOYSA-N 0 1 392.220 3.293 20 5 GGBDMN COc1cc(S(=O)(=O)Nc2cccc(-c3cnco3)c2)ccc1[N+](=O)[O-] ZINC000124658710 1415015253 /nfs/dbraw/zinc/01/52/53/1415015253.db2.gz PDXCBSUXXQQYDY-UHFFFAOYSA-N 0 1 375.362 3.059 20 5 GGBDMN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000177795342 1428860143 /nfs/dbraw/zinc/86/01/43/1428860143.db2.gz LIDAJMRYCSJKAG-MSOLQXFVSA-N 0 1 389.499 3.240 20 5 GGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000124777208 1415041805 /nfs/dbraw/zinc/04/18/05/1415041805.db2.gz AKRNMTLMKPTFTE-CQSZACIVSA-N 0 1 386.795 3.418 20 5 GGBDMN COc1cccc([C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)N(C)C)c1 ZINC000124814886 1415050852 /nfs/dbraw/zinc/05/08/52/1415050852.db2.gz ZLGYQSIPDHEAAI-HXUWFJFHSA-N 0 1 396.447 3.046 20 5 GGBDMN C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])cc2)C[C@H](C)O1 ZINC000124921222 1415073313 /nfs/dbraw/zinc/07/33/13/1415073313.db2.gz XKQGWRMKLPCONQ-KBPBESRZSA-N 0 1 385.420 3.162 20 5 GGBDMN COc1cc(S(=O)(=O)Nc2cccc(-c3ncc(C)o3)c2)ccc1[N+](=O)[O-] ZINC000124946184 1415078254 /nfs/dbraw/zinc/07/82/54/1415078254.db2.gz BIFNZBPNURYUGB-UHFFFAOYSA-N 0 1 389.389 3.368 20 5 GGBDMN C[C@@H]1CNCCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000125384925 1415182604 /nfs/dbraw/zinc/18/26/04/1415182604.db2.gz CWESWNQERNGVBC-CYBMUJFWSA-N 0 1 388.855 3.294 20 5 GGBDMN COc1cc(S(=O)(=O)Nc2cccc(-c3nc(C)co3)c2)ccc1[N+](=O)[O-] ZINC000125472567 1415209550 /nfs/dbraw/zinc/20/95/50/1415209550.db2.gz CIRSKTSPZYRXRA-UHFFFAOYSA-N 0 1 389.389 3.368 20 5 GGBDMN O=[N+]([O-])c1ccc[nH]c1=NNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000125578059 1415230406 /nfs/dbraw/zinc/23/04/06/1415230406.db2.gz KHRIPNCKYHQUCP-UHFFFAOYSA-N 0 1 397.627 3.255 20 5 GGBDMN Nn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1cc(-c2ccccc2)[nH]n1 ZINC000125799086 1415284618 /nfs/dbraw/zinc/28/46/18/1415284618.db2.gz QUHGQMCIOXRLME-UHFFFAOYSA-N 0 1 393.432 3.250 20 5 GGBDMN Nn1c(SCc2ccccc2[N+](=O)[O-])nnc1-c1cc(-c2ccccc2)[nH]n1 ZINC000125807757 1415286096 /nfs/dbraw/zinc/28/60/96/1415286096.db2.gz KTGSCHLDRYVPFA-UHFFFAOYSA-N 0 1 393.432 3.250 20 5 GGBDMN COc1ccc(CCCN(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000125869435 1415301279 /nfs/dbraw/zinc/30/12/79/1415301279.db2.gz FQFYURYVSRRMJH-UHFFFAOYSA-N 0 1 383.448 3.057 20 5 GGBDMN CCN1CCN(c2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000126558662 1415490599 /nfs/dbraw/zinc/49/05/99/1415490599.db2.gz SRROCSPDTDYKPW-UHFFFAOYSA-N 0 1 386.427 3.057 20 5 GGBDMN CC(C)(C)OC(=O)NCCCOC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000178067140 1428967054 /nfs/dbraw/zinc/96/70/54/1428967054.db2.gz VJPMMEAMTSLIPA-UHFFFAOYSA-N 0 1 393.484 3.491 20 5 GGBDMN Cc1ccc(-c2n[nH]c(SCC(=O)NCc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000178076147 1428971724 /nfs/dbraw/zinc/97/17/24/1428971724.db2.gz LAHJKVXPJHIAPN-UHFFFAOYSA-N 0 1 383.433 3.097 20 5 GGBDMN O=C(CC[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000127777028 1415848405 /nfs/dbraw/zinc/84/84/05/1415848405.db2.gz YUAAOBVNOVWZGG-UHFFFAOYSA-N 0 1 397.431 3.224 20 5 GGBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-c3ncc[nH]3)cc2)ccc1Cl ZINC000178190035 1429014145 /nfs/dbraw/zinc/01/41/45/1429014145.db2.gz GIPBSUNQZMQRDG-UHFFFAOYSA-N 0 1 378.797 3.439 20 5 GGBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC(O)(C(F)(F)F)CC3)o2)c1 ZINC000128062820 1415903885 /nfs/dbraw/zinc/90/38/85/1415903885.db2.gz PJWOSTWNSLSYEW-UHFFFAOYSA-N 0 1 385.342 3.182 20 5 GGBDMN C[C@@H]1Cc2cc(-c3ccc(CNC(=O)c4n[nH]cc4[N+](=O)[O-])cc3)ccc2O1 ZINC000128159367 1415928166 /nfs/dbraw/zinc/92/81/66/1415928166.db2.gz UOVJEHDNFIOTQM-GFCCVEGCSA-N 0 1 378.388 3.238 20 5 GGBDMN Cc1ccccc1N1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128193876 1415936171 /nfs/dbraw/zinc/93/61/71/1415936171.db2.gz OPJZEVANZWZZRM-UHFFFAOYSA-N 0 1 386.427 3.193 20 5 GGBDMN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000129357117 1416196359 /nfs/dbraw/zinc/19/63/59/1416196359.db2.gz FORJLANQKGWPKO-HNNXBMFYSA-N 0 1 375.388 3.361 20 5 GGBDMN COC(=O)C[C@H]1CSCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000130099804 1416318022 /nfs/dbraw/zinc/31/80/22/1416318022.db2.gz GXPQSWCFLAQQNU-HNNXBMFYSA-N 0 1 376.434 3.335 20 5 GGBDMN Cc1csc(C2(NC[C@@H](O)COc3ccccc3[N+](=O)[O-])CCCC2)n1 ZINC000130111379 1416320138 /nfs/dbraw/zinc/32/01/38/1416320138.db2.gz GKJOJXBLRYXSCU-CQSZACIVSA-N 0 1 377.466 3.159 20 5 GGBDMN CCNC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cc1 ZINC000130546011 1416396392 /nfs/dbraw/zinc/39/63/92/1416396392.db2.gz SQTHEVDUTAGFMG-UHFFFAOYSA-N 0 1 397.840 3.107 20 5 GGBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)c2C)o1 ZINC000178562861 1429107765 /nfs/dbraw/zinc/10/77/65/1429107765.db2.gz UFVQYERCZGLHJO-UHFFFAOYSA-N 0 1 393.363 3.028 20 5 GGBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2c(c1)nc(C1CC1)n2C ZINC000131836195 1416631873 /nfs/dbraw/zinc/63/18/73/1416631873.db2.gz XFTVRUDEPGPSKN-UHFFFAOYSA-N 0 1 386.433 3.468 20 5 GGBDMN O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000131881466 1416640555 /nfs/dbraw/zinc/64/05/55/1416640555.db2.gz PZDKAQDDABBONE-CYBMUJFWSA-N 0 1 395.202 3.241 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000131984108 1416666767 /nfs/dbraw/zinc/66/67/67/1416666767.db2.gz KBJNFOCAHPAAFD-MRXNPFEDSA-N 0 1 383.448 3.340 20 5 GGBDMN CCC[C@H](NCc1cccc(S(=O)(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000132014525 1416674402 /nfs/dbraw/zinc/67/44/02/1416674402.db2.gz VBOFRNMRTNGQMD-SFHVURJKSA-N 0 1 377.466 3.134 20 5 GGBDMN COCCCN(C)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000178613376 1429122464 /nfs/dbraw/zinc/12/24/64/1429122464.db2.gz DMUXWPZBCKOJPM-GFCCVEGCSA-N 0 1 378.454 3.014 20 5 GGBDMN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000132305309 1416732566 /nfs/dbraw/zinc/73/25/66/1416732566.db2.gz PXUGSQIVGUZBSU-UHFFFAOYSA-N 0 1 389.748 3.405 20 5 GGBDMN O=C(NCc1ccccc1OCC(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000132409572 1416754211 /nfs/dbraw/zinc/75/42/11/1416754211.db2.gz UBAKFBIOKMMYCP-UHFFFAOYSA-N 0 1 394.309 3.342 20 5 GGBDMN COCCCN(C)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000178613364 1429122246 /nfs/dbraw/zinc/12/22/46/1429122246.db2.gz DMUXWPZBCKOJPM-LBPRGKRZSA-N 0 1 378.454 3.014 20 5 GGBDMN C[C@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178646223 1429128283 /nfs/dbraw/zinc/12/82/83/1429128283.db2.gz MGFWCEZWUUXAFH-HNNXBMFYSA-N 0 1 389.477 3.230 20 5 GGBDMN O=c1ccc([N+](=O)[O-])cn1CCN(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000132553420 1416783961 /nfs/dbraw/zinc/78/39/61/1416783961.db2.gz DCIJXBNTKIJYEA-LJQANCHMSA-N 0 1 399.472 3.054 20 5 GGBDMN C[C@H](NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178650508 1429129103 /nfs/dbraw/zinc/12/91/03/1429129103.db2.gz VBVLXKOBYFKPDB-YWZLYKJASA-N 0 1 383.448 3.354 20 5 GGBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nc(-c2cccc3ccccc32)n[nH]1 ZINC000132605591 1416792688 /nfs/dbraw/zinc/79/26/88/1416792688.db2.gz ZNRLDYFDKVYXTC-UHFFFAOYSA-N 0 1 391.391 3.067 20 5 GGBDMN C[C@H](NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178650535 1429129192 /nfs/dbraw/zinc/12/91/92/1429129192.db2.gz VBVLXKOBYFKPDB-MGPUTAFESA-N 0 1 383.448 3.354 20 5 GGBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000132624645 1416795689 /nfs/dbraw/zinc/79/56/89/1416795689.db2.gz WNCIFZVHFGYYPC-UHFFFAOYSA-N 0 1 397.439 3.211 20 5 GGBDMN CC(C)N(C)S(=O)(=O)c1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178650134 1429129323 /nfs/dbraw/zinc/12/93/23/1429129323.db2.gz CDAMQDROGYPCNJ-OAHLLOKOSA-N 0 1 391.493 3.475 20 5 GGBDMN COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)N2CCCC2)cc1 ZINC000133402891 1416886487 /nfs/dbraw/zinc/88/64/87/1416886487.db2.gz IPYSGPKJQYLDJJ-IBGZPJMESA-N 0 1 399.447 3.179 20 5 GGBDMN CC[C@@H](N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000178671136 1429134846 /nfs/dbraw/zinc/13/48/46/1429134846.db2.gz XUYXUCACUYRHPJ-UXHICEINSA-N 0 1 399.447 3.458 20 5 GGBDMN O=C(CN(Cc1ccccc1)CC1(O)CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000134318669 1417054940 /nfs/dbraw/zinc/05/49/40/1417054940.db2.gz JWYNQZIPKWJVAX-UHFFFAOYSA-N 0 1 383.448 3.341 20 5 GGBDMN CC(C)n1cnnc1[C@H]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000136060582 1417288862 /nfs/dbraw/zinc/28/88/62/1417288862.db2.gz YOPOPLDYBJAKLP-AWEZNQCLSA-N 0 1 387.440 3.013 20 5 GGBDMN COc1cc([C@@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])ccc1OCCC(C)C ZINC000136531685 1417323842 /nfs/dbraw/zinc/32/38/42/1417323842.db2.gz VLVHDYMGTPIHMB-GFCCVEGCSA-N 0 1 376.413 3.242 20 5 GGBDMN Cc1c(NC(=O)CCN(C)Cc2ccc([S@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000178805239 1429176000 /nfs/dbraw/zinc/17/60/00/1429176000.db2.gz MTAJDWKKFHCBFI-MHZLTWQESA-N 0 1 389.477 3.101 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1[N+](=O)[O-] ZINC000178813399 1429179628 /nfs/dbraw/zinc/17/96/28/1429179628.db2.gz QRFHWERCLIYOMJ-NSHDSACASA-N 0 1 389.481 3.235 20 5 GGBDMN Cc1c(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000137489498 1417388650 /nfs/dbraw/zinc/38/86/50/1417388650.db2.gz DNGHZHKWZXMBSV-CZUORRHYSA-N 0 1 398.419 3.204 20 5 GGBDMN Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000137846720 1417397294 /nfs/dbraw/zinc/39/72/94/1417397294.db2.gz QXIYMNNYLDFJQH-DYVFJYSZSA-N 0 1 398.419 3.204 20 5 GGBDMN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCN(C2CCCC2)CC1 ZINC000138425348 1417414774 /nfs/dbraw/zinc/41/47/74/1417414774.db2.gz PDTYGOLXWWRLBT-ZDUSSCGKSA-N 0 1 381.860 3.102 20 5 GGBDMN COc1ccc(C(=O)Nc2cccc(CN3CCSCC3)c2)cc1[N+](=O)[O-] ZINC000138658009 1417433060 /nfs/dbraw/zinc/43/30/60/1417433060.db2.gz PEJYPIPGGCDFBV-UHFFFAOYSA-N 0 1 387.461 3.405 20 5 GGBDMN O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000140245024 1417493942 /nfs/dbraw/zinc/49/39/42/1417493942.db2.gz ITKRPTWIWQCIKM-LIRRHRJNSA-N 0 1 380.404 3.369 20 5 GGBDMN C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000146887627 1417734132 /nfs/dbraw/zinc/73/41/32/1417734132.db2.gz UHGZIAAJKKIMQF-VIFPVBQESA-N 0 1 385.785 3.196 20 5 GGBDMN COc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(Cc3ccccc3C)CC2)c1 ZINC000146971122 1417735239 /nfs/dbraw/zinc/73/52/39/1417735239.db2.gz XLASBKBKMPVAMU-UHFFFAOYSA-N 0 1 383.448 3.260 20 5 GGBDMN COc1ccc([C@@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000147201696 1417741185 /nfs/dbraw/zinc/74/11/85/1417741185.db2.gz BQPSLVOXOTVMON-HXUWFJFHSA-N 0 1 383.448 3.479 20 5 GGBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000178887188 1429210996 /nfs/dbraw/zinc/21/09/96/1429210996.db2.gz CPQZPKCUGAOHFN-MRXNPFEDSA-N 0 1 397.479 3.357 20 5 GGBDMN C[C@@H](Cc1nc2ccccc2s1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000178909367 1429217149 /nfs/dbraw/zinc/21/71/49/1429217149.db2.gz DZQSBOSSQFKZDS-JTQLQIEISA-N 0 1 395.437 3.253 20 5 GGBDMN C[C@H](Cc1nc2ccccc2s1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000178909375 1429217418 /nfs/dbraw/zinc/21/74/18/1429217418.db2.gz DZQSBOSSQFKZDS-SNVBAGLBSA-N 0 1 395.437 3.253 20 5 GGBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CCN1CCCC1)c1ccccc1 ZINC000151670564 1418056791 /nfs/dbraw/zinc/05/67/91/1418056791.db2.gz XUACTPNJQJNZIA-UHFFFAOYSA-N 0 1 389.477 3.194 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000179179589 1429286850 /nfs/dbraw/zinc/28/68/50/1429286850.db2.gz IBUJAFWZPVQOOM-GFCCVEGCSA-N 0 1 392.843 3.465 20 5 GGBDMN CSc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1[N+](=O)[O-] ZINC000179334944 1429332458 /nfs/dbraw/zinc/33/24/58/1429332458.db2.gz HKXSWQCMXPCAIH-CYBMUJFWSA-N 0 1 387.465 3.332 20 5 GGBDMN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179336972 1429333901 /nfs/dbraw/zinc/33/39/01/1429333901.db2.gz FWDXJFSWTGYOLT-CYBMUJFWSA-N 0 1 387.465 3.089 20 5 GGBDMN 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ZINC000179633230 1429481454 /nfs/dbraw/zinc/48/14/54/1429481454.db2.gz BWDXDLHBAQXTKU-SFHVURJKSA-N 0 1 394.431 3.267 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179647367 1429488428 /nfs/dbraw/zinc/48/84/28/1429488428.db2.gz YYWYOCUERYQNJA-CQSZACIVSA-N 0 1 399.447 3.112 20 5 GGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(c2cccc(Cl)c2)CC1 ZINC000179670230 1429500070 /nfs/dbraw/zinc/50/00/70/1429500070.db2.gz ZSCOOBDMXTZTFC-UHFFFAOYSA-N 0 1 375.812 3.474 20 5 GGBDMN COc1ccc(NC(=O)CNC2(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000179679546 1429504080 /nfs/dbraw/zinc/50/40/80/1429504080.db2.gz VZIXCPXYRZVCHQ-UHFFFAOYSA-N 0 1 375.812 3.474 20 5 GGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179748061 1429535914 /nfs/dbraw/zinc/53/59/14/1429535914.db2.gz FSVLKDJRRWQGJG-NRFANRHFSA-N 0 1 397.431 3.354 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179747977 1429536024 /nfs/dbraw/zinc/53/60/24/1429536024.db2.gz 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O=[N+]([O-])c1cccc([C@@H](O)CN(CCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000158184107 1424188345 /nfs/dbraw/zinc/18/83/45/1424188345.db2.gz CDCBLLQYVTXGJY-KRWDZBQOSA-N 0 1 385.247 3.430 20 5 GGBDMN O=C(CCN1CCO[C@]2(CCc3ccccc32)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000158709666 1424324555 /nfs/dbraw/zinc/32/45/55/1424324555.db2.gz ZENGYOSDZXZTFV-OAQYLSRUSA-N 0 1 381.432 3.097 20 5 GGBDMN CCc1nc(-c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n[nH]1 ZINC000159245958 1424457195 /nfs/dbraw/zinc/45/71/95/1424457195.db2.gz MLOXOGFHTULWRQ-UHFFFAOYSA-N 0 1 387.421 3.052 20 5 GGBDMN CCc1nc(-c2ccccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n[nH]1 ZINC000159271941 1424466389 /nfs/dbraw/zinc/46/63/89/1424466389.db2.gz PUBPKABJPWOLOK-UHFFFAOYSA-N 0 1 387.421 3.052 20 5 GGBDMN CC(C)c1ccc(CN2CCCC[C@@H]2CCNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000159422649 1424501555 /nfs/dbraw/zinc/50/15/55/1424501555.db2.gz WQEIJENPEQHDTF-MRXNPFEDSA-N 0 1 383.514 3.012 20 5 GGBDMN COc1ccc([C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000159490802 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Cc1ccc([C@@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])N2CCCC2)o1 ZINC000171227231 1425550447 /nfs/dbraw/zinc/55/04/47/1425550447.db2.gz XBOAQICRALBAEE-GOSISDBHSA-N 0 1 386.452 3.475 20 5 GGBDMN CCc1n[nH]c(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000171397362 1425661568 /nfs/dbraw/zinc/66/15/68/1425661568.db2.gz VZUFEMYVSMCLQL-CQSZACIVSA-N 0 1 391.497 3.145 20 5 GGBDMN Cc1nn(CCC(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000171444339 1425681054 /nfs/dbraw/zinc/68/10/54/1425681054.db2.gz GLXMBFCLLQKKHP-QGZVFWFLSA-N 0 1 396.451 3.347 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H](c1ccccc1)c1cccnc1 ZINC000171768927 1425815624 /nfs/dbraw/zinc/81/56/24/1425815624.db2.gz DRYNYBHDHBVPNX-QGZVFWFLSA-N 0 1 387.392 3.197 20 5 GGBDMN CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000172182057 1425936493 /nfs/dbraw/zinc/93/64/93/1425936493.db2.gz JGKWSQMYUPAEFK-UHFFFAOYSA-N 0 1 391.449 3.186 20 5 GGBDMN Cc1cc(S(=O)(=O)Nc2cccc(-c3ccnc(C)n3)c2)ccc1[N+](=O)[O-] ZINC000172182501 1425936656 /nfs/dbraw/zinc/93/66/56/1425936656.db2.gz CFIHEPRRDUQYPK-UHFFFAOYSA-N 0 1 384.417 3.469 20 5 GGBDMN CCN(Cc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)C(C)=O ZINC000172182598 1425936678 /nfs/dbraw/zinc/93/66/78/1425936678.db2.gz PBBBNRGKVYBCHF-UHFFFAOYSA-N 0 1 391.449 3.072 20 5 GGBDMN Cc1cc(S(=O)(=O)Nc2cccc(NC(=O)C(C)C)c2)ccc1[N+](=O)[O-] ZINC000172182447 1425936741 /nfs/dbraw/zinc/93/67/41/1425936741.db2.gz XNBLMRANAPZKRS-UHFFFAOYSA-N 0 1 377.422 3.299 20 5 GGBDMN Cc1cc(C(=O)NC(C)C)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000172183228 1425937293 /nfs/dbraw/zinc/93/72/93/1425937293.db2.gz JGZMLQFRXJORPH-UHFFFAOYSA-N 0 1 391.449 3.151 20 5 GGBDMN CCCN1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)c2C1 ZINC000172183794 1425937604 /nfs/dbraw/zinc/93/76/04/1425937604.db2.gz OSNKJLDEFDQDRV-UHFFFAOYSA-N 0 1 375.450 3.430 20 5 GGBDMN C[C@@H]1CCCC[N@H+]1Cc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000824937306 1425961986 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JWIQYLMIVLCCBJ-LJQANCHMSA-N 0 1 383.448 3.099 20 5 GGBDMN COc1ccccc1[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000172953601 1426282721 /nfs/dbraw/zinc/28/27/21/1426282721.db2.gz JWIQYLMIVLCCBJ-IBGZPJMESA-N 0 1 383.448 3.099 20 5 GGBDMN O=[N+]([O-])c1cccc(-c2ncn(CN3CC[C@H](COCc4ccccc4)C3)n2)c1 ZINC000172970745 1426288473 /nfs/dbraw/zinc/28/84/73/1426288473.db2.gz ZTTMRRMMEYVYIP-SFHVURJKSA-N 0 1 393.447 3.350 20 5 GGBDMN COc1ccccc1[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000173156024 1426369485 /nfs/dbraw/zinc/36/94/85/1426369485.db2.gz ZHJKHTFXULFKPS-HXUWFJFHSA-N 0 1 397.475 3.489 20 5 GGBDMN CC(C)N(C)S(=O)(=O)c1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173350485 1426527729 /nfs/dbraw/zinc/52/77/29/1426527729.db2.gz BSYUHSUAKDVZCM-OAHLLOKOSA-N 0 1 391.493 3.475 20 5 GGBDMN CC(C)n1ncc2cc(CN3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cnc21 ZINC000173463363 1426637631 /nfs/dbraw/zinc/63/76/31/1426637631.db2.gz HYPRXUGWLKSHHY-MRXNPFEDSA-N 0 1 381.440 3.002 20 5 GGBDMN CC(C)n1ncc2cc(CN3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cnc21 ZINC000173463350 1426637938 /nfs/dbraw/zinc/63/79/38/1426637938.db2.gz HYPRXUGWLKSHHY-INIZCTEOSA-N 0 1 381.440 3.002 20 5 GGBDMN Cc1csc([C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C2CC2)n1 ZINC000173468809 1426644155 /nfs/dbraw/zinc/64/41/55/1426644155.db2.gz GESZCJNQHHFGRM-ZDUSSCGKSA-N 0 1 387.870 3.443 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000173512813 1426683552 /nfs/dbraw/zinc/68/35/52/1426683552.db2.gz HPCQAVAOEHVYMU-INIZCTEOSA-N 0 1 383.448 3.340 20 5 GGBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](COCc2ccccc2)C1 ZINC000173651746 1426810677 /nfs/dbraw/zinc/81/06/77/1426810677.db2.gz MTKGJUNTXUAXAC-AEFFLSMTSA-N 0 1 383.448 3.461 20 5 GGBDMN O=C(CN1CC[C@H](COCc2ccccc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000173652238 1426810880 /nfs/dbraw/zinc/81/08/80/1426810880.db2.gz VAOONWKOZYKBFF-SFHVURJKSA-N 0 1 395.459 3.023 20 5 GGBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](COCc2ccccc2)C1 ZINC000173653633 1426811197 /nfs/dbraw/zinc/81/11/97/1426811197.db2.gz RPRCNYTYNSXJIZ-AEFFLSMTSA-N 0 1 383.448 3.461 20 5 GGBDMN COc1ccc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000173714110 1426829391 /nfs/dbraw/zinc/82/93/91/1426829391.db2.gz CGEVTKRYUGIEHQ-SFHVURJKSA-N 0 1 383.448 3.340 20 5 GGBDMN CN(CC(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC000173883036 1426880593 /nfs/dbraw/zinc/88/05/93/1426880593.db2.gz MYCBGVQJWURYQQ-GOSISDBHSA-N 0 1 395.419 3.398 20 5 GGBDMN C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000174126554 1427012770 /nfs/dbraw/zinc/01/27/70/1427012770.db2.gz YORZLMQBJUBBGY-CRAIPNDOSA-N 0 1 383.448 3.426 20 5 GGBDMN C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000174126589 1427013038 /nfs/dbraw/zinc/01/30/38/1427013038.db2.gz YORZLMQBJUBBGY-YJBOKZPZSA-N 0 1 383.448 3.426 20 5 GGBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000174366007 1427122487 /nfs/dbraw/zinc/12/24/87/1427122487.db2.gz PJGOBNSODNMZJH-CABCVRRESA-N 0 1 379.420 3.458 20 5 GGBDMN Cc1ccccc1[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H](C)CO1 ZINC000174397845 1427138552 /nfs/dbraw/zinc/13/85/52/1427138552.db2.gz GLPUGIOKFOPZER-FZKQIMNGSA-N 0 1 380.404 3.382 20 5 GGBDMN Cc1ccccc1[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](C)CO1 ZINC000174397864 1427138610 /nfs/dbraw/zinc/13/86/10/1427138610.db2.gz GLPUGIOKFOPZER-SCLBCKFNSA-N 0 1 380.404 3.382 20 5 GGBDMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000174461085 1427166984 /nfs/dbraw/zinc/16/69/84/1427166984.db2.gz WEWNSGIXQMWQFG-UHFFFAOYSA-N 0 1 383.383 3.140 20 5 GGBDMN C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824647622 1427183541 /nfs/dbraw/zinc/18/35/41/1427183541.db2.gz ABAYVNWYDDPFBQ-RHSMWYFYSA-N 0 1 393.451 3.097 20 5 GGBDMN C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824647622 1427183543 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/nfs/dbraw/zinc/41/32/02/1430413202.db2.gz JZKBCBFXILZMGU-OAHLLOKOSA-N 0 1 397.431 3.060 20 5 GGBDMN CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182161080 1430422266 /nfs/dbraw/zinc/42/22/66/1430422266.db2.gz VHEDQTOPJCFBIG-KRWDZBQOSA-N 0 1 399.447 3.133 20 5 GGBDMN CC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 ZINC000182178202 1430425106 /nfs/dbraw/zinc/42/51/06/1430425106.db2.gz PBSWMZZSUPDADK-GOSISDBHSA-N 0 1 378.450 3.118 20 5 GGBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000182240469 1430435300 /nfs/dbraw/zinc/43/53/00/1430435300.db2.gz UNZSRMYIEGTGEX-CABCVRRESA-N 0 1 392.839 3.141 20 5 GGBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000182240489 1430435348 /nfs/dbraw/zinc/43/53/48/1430435348.db2.gz UNZSRMYIEGTGEX-GJZGRUSLSA-N 0 1 392.839 3.141 20 5 GGBDMN C[C@@H]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCN1Cc1ccccc1 ZINC000182242695 1430435937 /nfs/dbraw/zinc/43/59/37/1430435937.db2.gz UUCPBXKOKOCQBY-OAHLLOKOSA-N 0 1 397.431 3.060 20 5 GGBDMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182246362 1430436589 /nfs/dbraw/zinc/43/65/89/1430436589.db2.gz VYAJSBKGXDEVJY-UHFFFAOYSA-N 0 1 380.282 3.142 20 5 GGBDMN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000182258931 1430438616 /nfs/dbraw/zinc/43/86/16/1430438616.db2.gz PXTYFXPWQFKJIO-UHFFFAOYSA-N 0 1 391.327 3.040 20 5 GGBDMN CCOc1cccc([C@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000182405829 1430461890 /nfs/dbraw/zinc/46/18/90/1430461890.db2.gz LSQHQBCSSHJLAC-AWEZNQCLSA-N 0 1 378.450 3.118 20 5 GGBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC1(c2ccc(F)cc2F)CCC1 ZINC000182435431 1430467219 /nfs/dbraw/zinc/46/72/19/1430467219.db2.gz OBOVPRZDCCMZHJ-CQSZACIVSA-N 0 1 378.375 3.282 20 5 GGBDMN CC(C)(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000182439180 1430468040 /nfs/dbraw/zinc/46/80/40/1430468040.db2.gz PBTCFSQUZSSGFH-UHFFFAOYSA-N 0 1 384.404 3.172 20 5 GGBDMN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000182507978 1430479936 /nfs/dbraw/zinc/47/99/36/1430479936.db2.gz MPHZNIIFDOPGAG-JTQLQIEISA-N 0 1 383.326 3.443 20 5 GGBDMN Cn1cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C2CCCCC2)n1 ZINC000183087365 1430609876 /nfs/dbraw/zinc/60/98/76/1430609876.db2.gz TZZPHVPRLRPBHW-QGZVFWFLSA-N 0 1 384.484 3.457 20 5 GGBDMN O=C(NCc1ccccc1N1CCCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000183135006 1430624959 /nfs/dbraw/zinc/62/49/59/1430624959.db2.gz VRJBGTZMCDJMQM-UHFFFAOYSA-N 0 1 379.420 3.391 20 5 GGBDMN Cc1ccc([C@@H](CNCc2ccc([N+](=O)[O-])cc2Cl)N2CCOCC2)o1 ZINC000183411232 1430704364 /nfs/dbraw/zinc/70/43/64/1430704364.db2.gz GYSNCOZWBZJXBX-QGZVFWFLSA-N 0 1 379.844 3.313 20 5 GGBDMN O=C(Nc1ccncc1[N+](=O)[O-])NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000183547520 1430739608 /nfs/dbraw/zinc/73/96/08/1430739608.db2.gz FIAXJNSNLUDIPZ-UHFFFAOYSA-N 0 1 389.843 3.429 20 5 GGBDMN COc1ccc([C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])N2CCCCC2)cc1 ZINC000183600666 1430751820 /nfs/dbraw/zinc/75/18/20/1430751820.db2.gz QDTCNHMPXUKGOL-GOSISDBHSA-N 0 1 399.451 3.347 20 5 GGBDMN CCc1[nH]nc(C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)c1[N+](=O)[O-] ZINC000183856996 1430805732 /nfs/dbraw/zinc/80/57/32/1430805732.db2.gz AELVBXHJZFJGIJ-UHFFFAOYSA-N 0 1 398.250 3.150 20 5 GGBDMN CN(C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1cccc(C(F)(F)F)c1 ZINC000183897999 1430810411 /nfs/dbraw/zinc/81/04/11/1430810411.db2.gz HOSBIBWTBOFPTD-HNNXBMFYSA-N 0 1 396.369 3.229 20 5 GGBDMN O=[N+]([O-])c1cc(CN[C@]2(CO)CCOC2)ccc1Oc1ccccc1Cl ZINC000184189813 1430853550 /nfs/dbraw/zinc/85/35/50/1430853550.db2.gz RVVDNAYQRUOAJX-SFHVURJKSA-N 0 1 378.812 3.282 20 5 GGBDMN COc1cc(CN[C@H](C)C[S@@](C)=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000184264813 1430864738 /nfs/dbraw/zinc/86/47/38/1430864738.db2.gz DTUZXPREBANSIR-LOKFHWFJSA-N 0 1 392.477 3.039 20 5 GGBDMN COc1cc(CN[C@@H](C)C[S@@](C)=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000184264796 1430864748 /nfs/dbraw/zinc/86/47/48/1430864748.db2.gz DTUZXPREBANSIR-PGGUUEOZSA-N 0 1 392.477 3.039 20 5 GGBDMN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H](c1ccco1)N1CCCC1 ZINC000184356627 1430877589 /nfs/dbraw/zinc/87/75/89/1430877589.db2.gz FKLVKHNBCBONQN-INIZCTEOSA-N 0 1 392.843 3.478 20 5 GGBDMN CSCC[C@H](NCCOc1ccccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000184597558 1430913601 /nfs/dbraw/zinc/91/36/01/1430913601.db2.gz VXIBSOUUOWOFLH-AWEZNQCLSA-N 0 1 387.465 3.100 20 5 GGBDMN O=C(NCc1nnc[nH]1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000184605322 1430916876 /nfs/dbraw/zinc/91/68/76/1430916876.db2.gz SOMMFIKBXYQRLX-UHFFFAOYSA-N 0 1 389.824 3.448 20 5 GGBDMN C[C@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000184688664 1430943236 /nfs/dbraw/zinc/94/32/36/1430943236.db2.gz YAQDVRPZIMMPSH-ZDUSSCGKSA-N 0 1 393.440 3.125 20 5 GGBDMN C[C@@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000184688683 1430943447 /nfs/dbraw/zinc/94/34/47/1430943447.db2.gz YAQDVRPZIMMPSH-CYBMUJFWSA-N 0 1 393.440 3.125 20 5 GGBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000184697863 1430945187 /nfs/dbraw/zinc/94/51/87/1430945187.db2.gz IMSRDIPHGJBACI-GOSISDBHSA-N 0 1 396.491 3.339 20 5 GGBDMN O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184718941 1430952431 /nfs/dbraw/zinc/95/24/31/1430952431.db2.gz VSWGXPNZOWGBNQ-ZDUSSCGKSA-N 0 1 375.450 3.004 20 5 GGBDMN C[C@@H](C(=O)NC[C@@H](c1cccc(F)c1)N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000184770526 1430972379 /nfs/dbraw/zinc/97/23/79/1430972379.db2.gz WEVPDNQVSFOZLM-XIKOKIGWSA-N 0 1 377.391 3.396 20 5 GGBDMN CCc1ccc([C@@H](COC)NCCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000184807662 1430984264 /nfs/dbraw/zinc/98/42/64/1430984264.db2.gz OISCWVDYZBVKHL-MRXNPFEDSA-N 0 1 391.424 3.065 20 5 GGBDMN CC(C)(C)c1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cn1 ZINC000184824275 1430991752 /nfs/dbraw/zinc/99/17/52/1430991752.db2.gz AWBAPQGEYZTPFX-UHFFFAOYSA-N 0 1 387.421 3.031 20 5 GGBDMN CCc1ccc([C@@H](COC)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000184863087 1431006112 /nfs/dbraw/zinc/00/61/12/1431006112.db2.gz HMXLQAFIIPJOOX-MRXNPFEDSA-N 0 1 391.424 3.065 20 5 GGBDMN COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)cc1F ZINC000184967810 1431032818 /nfs/dbraw/zinc/03/28/18/1431032818.db2.gz WNLADKCFRLZUMS-UHFFFAOYSA-N 0 1 377.353 3.092 20 5 GGBDMN C[C@@H](C(=O)NC1CCN(Cc2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185026992 1431044480 /nfs/dbraw/zinc/04/44/80/1431044480.db2.gz AUMZLMBTGLCXFE-CQSZACIVSA-N 0 1 386.427 3.013 20 5 GGBDMN COC(=O)c1cccc2nc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)[nH]c21 ZINC000185065018 1431052487 /nfs/dbraw/zinc/05/24/87/1431052487.db2.gz YCHYFZQQZNKQGO-SECBINFHSA-N 0 1 386.339 3.139 20 5 GGBDMN COc1ccc(NC(=O)CCN[C@@H](c2ncc(C)s2)C2CC2)c([N+](=O)[O-])c1 ZINC000185308841 1431108242 /nfs/dbraw/zinc/10/82/42/1431108242.db2.gz FSFFTYVPACWHBX-QGZVFWFLSA-N 0 1 390.465 3.438 20 5 GGBDMN Cc1c([C@@H](C)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000185351722 1431123325 /nfs/dbraw/zinc/12/33/25/1431123325.db2.gz GRCZHGVPJRXGIH-YLJYHZDGSA-N 0 1 397.475 3.024 20 5 GGBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](c1ncc(C)s1)C1CC1 ZINC000185372887 1431128456 /nfs/dbraw/zinc/12/84/56/1431128456.db2.gz LVLHQPSWQWOFMW-KRWDZBQOSA-N 0 1 390.465 3.438 20 5 GGBDMN C[C@@H](c1ccsc1)N1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000185448580 1431147901 /nfs/dbraw/zinc/14/79/01/1431147901.db2.gz QORSTAFUSCMJPG-HNNXBMFYSA-N 0 1 388.493 3.364 20 5 GGBDMN C[C@H](c1ccsc1)N1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000185448599 1431147923 /nfs/dbraw/zinc/14/79/23/1431147923.db2.gz QORSTAFUSCMJPG-OAHLLOKOSA-N 0 1 388.493 3.364 20 5 GGBDMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185614895 1431184407 /nfs/dbraw/zinc/18/44/07/1431184407.db2.gz CJVSEHCUQMDCIV-QGZVFWFLSA-N 0 1 399.447 3.133 20 5 GGBDMN CCCc1[nH]nc(C(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000185970496 1431301394 /nfs/dbraw/zinc/30/13/94/1431301394.db2.gz DIJMFULBGWYYJU-AWEZNQCLSA-N 0 1 378.816 3.138 20 5 GGBDMN Cn1cc(CN2CCSC3(CCOCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186481804 1431432009 /nfs/dbraw/zinc/43/20/09/1431432009.db2.gz YXHGQLVHLMWOSK-UHFFFAOYSA-N 0 1 388.493 3.093 20 5 GGBDMN O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)Cc3ccccc3F)[nH]n2)c1 ZINC000186615466 1431469883 /nfs/dbraw/zinc/46/98/83/1431469883.db2.gz FKRZWCRJXXFFMV-UHFFFAOYSA-N 0 1 376.369 3.066 20 5 GGBDMN O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)Cc3ccccc3F)n[nH]2)c1 ZINC000186615466 1431469887 /nfs/dbraw/zinc/46/98/87/1431469887.db2.gz FKRZWCRJXXFFMV-UHFFFAOYSA-N 0 1 376.369 3.066 20 5 GGBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCSC2(CCOCC2)C1 ZINC000186838048 1431534237 /nfs/dbraw/zinc/53/42/37/1431534237.db2.gz RHADDJWTEJMVFN-ZDUSSCGKSA-N 0 1 390.465 3.304 20 5 GGBDMN COc1c(F)cc(S(=O)(=O)Nc2cccc(-n3cccc3)c2)cc1[N+](=O)[O-] ZINC000187245525 1431663598 /nfs/dbraw/zinc/66/35/98/1431663598.db2.gz PVGQMVWCHZWYMB-UHFFFAOYSA-N 0 1 391.380 3.334 20 5 GGBDMN C[C@@H](C1CC1)n1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cn1 ZINC000187737993 1431806147 /nfs/dbraw/zinc/80/61/47/1431806147.db2.gz ZTBUXSGVCCYMEA-NSHDSACASA-N 0 1 387.421 3.111 20 5 GGBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc3nnc(C(C)C)n3c2)c1C ZINC000187778894 1431811327 /nfs/dbraw/zinc/81/13/27/1431811327.db2.gz QBTKHOQBDXVJTF-UHFFFAOYSA-N 0 1 389.437 3.179 20 5 GGBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2nnc(C3CCC3)n2c1 ZINC000188237548 1431864695 /nfs/dbraw/zinc/86/46/95/1431864695.db2.gz XFSJWAAINBTUHJ-UHFFFAOYSA-N 0 1 387.421 3.014 20 5 GGBDMN C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCN1 ZINC000188379305 1431879178 /nfs/dbraw/zinc/87/91/78/1431879178.db2.gz HUOPNHDTEVECPQ-GFCCVEGCSA-N 0 1 375.812 3.474 20 5 GGBDMN CC(C)c1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)cc1[N+](=O)[O-] ZINC000189044713 1432033534 /nfs/dbraw/zinc/03/35/34/1432033534.db2.gz CZOVEOXRWVWIFL-UHFFFAOYSA-N 0 1 383.452 3.117 20 5 GGBDMN CCN(CC)[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1ccccc1 ZINC000189575249 1432164452 /nfs/dbraw/zinc/16/44/52/1432164452.db2.gz HMRNHLVIULKQIZ-GOSISDBHSA-N 0 1 391.493 3.493 20 5 GGBDMN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(CCC2CCCC2)n[nH]1 ZINC000189614526 1432177857 /nfs/dbraw/zinc/17/78/57/1432177857.db2.gz ZKVONYIKCQAKHY-UHFFFAOYSA-N 0 1 396.494 3.390 20 5 GGBDMN COc1cc(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc([N+](=O)[O-])c1C ZINC000189687715 1432204608 /nfs/dbraw/zinc/20/46/08/1432204608.db2.gz GCXLBVRWCNMGIM-OAHLLOKOSA-N 0 1 398.463 3.262 20 5 GGBDMN O=C1[C@@H](NCc2cccc([N+](=O)[O-])c2)CCCN1Cc1ccc(F)cc1F ZINC000189800844 1432239064 /nfs/dbraw/zinc/23/90/64/1432239064.db2.gz IBBAKYHVTQXJHQ-SFHVURJKSA-N 0 1 375.375 3.154 20 5 GGBDMN COc1ccc(CNCc2ccc(C)nc2-n2cc(Cl)cn2)cc1[N+](=O)[O-] ZINC000190308979 1432357759 /nfs/dbraw/zinc/35/77/59/1432357759.db2.gz UGWJTSLJPGTMDF-UHFFFAOYSA-N 0 1 387.827 3.436 20 5 GGBDMN CC(C)c1ccc(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000190343648 1432364914 /nfs/dbraw/zinc/36/49/14/1432364914.db2.gz UDKJJUHRKGHQRX-RTBURBONSA-N 0 1 397.475 3.083 20 5 GGBDMN CC(C)c1ccc(C(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000190343648 1432364916 /nfs/dbraw/zinc/36/49/16/1432364916.db2.gz UDKJJUHRKGHQRX-RTBURBONSA-N 0 1 397.475 3.083 20 5 GGBDMN CCN(CC)[C@@H](CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000190409671 1432376068 /nfs/dbraw/zinc/37/60/68/1432376068.db2.gz NPNNAWGAZNUSBQ-INIZCTEOSA-N 0 1 375.425 3.318 20 5 GGBDMN Cn1cc([C@H]2CSCCN2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cn1 ZINC000191214706 1432593951 /nfs/dbraw/zinc/59/39/51/1432593951.db2.gz SNWJDRBYFRSKTA-QGZVFWFLSA-N 0 1 399.476 3.316 20 5 GGBDMN CCCn1ccnc1CCCN(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000191496508 1432672319 /nfs/dbraw/zinc/67/23/19/1432672319.db2.gz HPKNJEUWKKLXIP-UHFFFAOYSA-N 0 1 384.440 3.316 20 5 GGBDMN COc1cc(C(=O)N2CCCN(Cc3ccccc3)CC2)cc([N+](=O)[O-])c1C ZINC000191577268 1432686475 /nfs/dbraw/zinc/68/64/75/1432686475.db2.gz CCRBPNUDWVWSGT-UHFFFAOYSA-N 0 1 383.448 3.260 20 5 GGBDMN Cc1ccc(C)c(S(=O)(=O)Nc2ccc3nnc(C(C)C)n3c2)c1[N+](=O)[O-] ZINC000191803765 1432728893 /nfs/dbraw/zinc/72/88/93/1432728893.db2.gz VSCXZFFQVAXCAD-UHFFFAOYSA-N 0 1 389.437 3.179 20 5 GGBDMN Cc1cc(C)c(S(=O)(=O)Nc2ccc3nnc(C(C)C)n3c2)cc1[N+](=O)[O-] ZINC000191943924 1432762342 /nfs/dbraw/zinc/76/23/42/1432762342.db2.gz QYHRGDNKNAWJMX-UHFFFAOYSA-N 0 1 389.437 3.179 20 5 GGBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(c1ccccc1)C1CCN(C)CC1 ZINC000191945008 1432762715 /nfs/dbraw/zinc/76/27/15/1432762715.db2.gz RTPVHUDPDAQHLX-UHFFFAOYSA-N 0 1 389.477 3.193 20 5 GGBDMN Cc1cc(S(=O)(=O)N(c2ccccc2)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000191945380 1432762974 /nfs/dbraw/zinc/76/29/74/1432762974.db2.gz IAASYTHXBMGPPF-UHFFFAOYSA-N 0 1 389.477 3.193 20 5 GGBDMN O=C(CN[C@@H]1CCO[C@H]1c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000191946895 1432763389 /nfs/dbraw/zinc/76/33/89/1432763389.db2.gz ZKXZYNDEFHOKEO-QAPCUYQASA-N 0 1 375.812 3.307 20 5 GGBDMN Cc1cc(C)c(S(=O)(=O)N(CCN(C)C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000192017827 1432780067 /nfs/dbraw/zinc/78/00/67/1432780067.db2.gz ZELFLRGJNKCLKM-UHFFFAOYSA-N 0 1 397.522 3.026 20 5 GGBDMN CN(C(=O)CN[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000192024028 1432781040 /nfs/dbraw/zinc/78/10/40/1432781040.db2.gz MZGGJJUFUUPMOA-HKUYNNGSSA-N 0 1 389.839 3.331 20 5 GGBDMN O=C(CN[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000192075576 1432793625 /nfs/dbraw/zinc/79/36/25/1432793625.db2.gz IMUWACAMHUJLMU-MAUKXSAKSA-N 0 1 393.802 3.446 20 5 GGBDMN C[C@H](N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192111729 1432799955 /nfs/dbraw/zinc/79/99/55/1432799955.db2.gz WLXCBPBOGGTIJT-SDDDUWNISA-N 0 1 391.374 3.320 20 5 GGBDMN CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000192490258 1432850374 /nfs/dbraw/zinc/85/03/74/1432850374.db2.gz UNGXYZMXENWVRW-GJZGRUSLSA-N 0 1 387.484 3.341 20 5 GGBDMN CCn1nc(C)c([N+](=O)[O-])c1NCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000192501737 1432851991 /nfs/dbraw/zinc/85/19/91/1432851991.db2.gz CCNIGMVIPZXBHZ-HUUCEWRRSA-N 0 1 387.484 3.341 20 5 GGBDMN CN(C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000192603946 1432865038 /nfs/dbraw/zinc/86/50/38/1432865038.db2.gz VBNLHBZBQSIMIG-QGZVFWFLSA-N 0 1 383.448 3.340 20 5 GGBDMN CN(C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000192603930 1432865133 /nfs/dbraw/zinc/86/51/33/1432865133.db2.gz VBNLHBZBQSIMIG-KRWDZBQOSA-N 0 1 383.448 3.340 20 5 GGBDMN CCc1[nH]nc(C(=O)N(CCc2ccc(C)cc2)C[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000192651157 1432871557 /nfs/dbraw/zinc/87/15/57/1432871557.db2.gz RSWOMKNPNQYZBK-INIZCTEOSA-N 0 1 386.452 3.053 20 5 GGBDMN COc1cccc(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000192657668 1432872112 /nfs/dbraw/zinc/87/21/12/1432872112.db2.gz BZWLUHCNDYMDES-MRXNPFEDSA-N 0 1 383.448 3.340 20 5 GGBDMN CCC(CC)(CN[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)OC ZINC000192699921 1432876977 /nfs/dbraw/zinc/87/69/77/1432876977.db2.gz KSYXAPJYTOAXHT-LBPRGKRZSA-N 0 1 376.413 3.275 20 5 GGBDMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192811100 1432893502 /nfs/dbraw/zinc/89/35/02/1432893502.db2.gz RSBOFJYSGZVSPE-BFUOFWGJSA-N 0 1 389.477 3.231 20 5 GGBDMN CNS(=O)(=O)c1cccc([C@H](C)N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192811115 1432893641 /nfs/dbraw/zinc/89/36/41/1432893641.db2.gz RSBOFJYSGZVSPE-DJJJIMSYSA-N 0 1 389.477 3.231 20 5 GGBDMN COc1ccc([C@H](CNC(=O)c2c(C)cccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000192907519 1432905712 /nfs/dbraw/zinc/90/57/12/1432905712.db2.gz JLBAWCFSBNDATN-IBGZPJMESA-N 0 1 383.448 3.479 20 5 GGBDMN CCc1[nH]nc(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000192911437 1432906035 /nfs/dbraw/zinc/90/60/35/1432906035.db2.gz XYPSSUQWYGDCKC-IINYFYTJSA-N 0 1 378.816 3.136 20 5 GGBDMN COc1ccccc1[C@@H](CNC(=O)c1c(C)cccc1[N+](=O)[O-])N1CCCC1 ZINC000192912669 1432906445 /nfs/dbraw/zinc/90/64/45/1432906445.db2.gz PEOQMRKZWQCBAE-GOSISDBHSA-N 0 1 383.448 3.479 20 5 GGBDMN C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)N1CCc2sccc2C1 ZINC000193854460 1433073796 /nfs/dbraw/zinc/07/37/96/1433073796.db2.gz GSSZMGQWBITBJA-LBPRGKRZSA-N 0 1 386.477 3.400 20 5 GGBDMN COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000194055804 1433108954 /nfs/dbraw/zinc/10/89/54/1433108954.db2.gz XORROKAXRUUPGF-ZIAGYGMSSA-N 0 1 385.420 3.368 20 5 GGBDMN COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000194055821 1433109015 /nfs/dbraw/zinc/10/90/15/1433109015.db2.gz XORROKAXRUUPGF-KGLIPLIRSA-N 0 1 385.420 3.368 20 5 GGBDMN CC(C)(C)c1nc2ccc(NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)cc2[nH]1 ZINC000194056690 1433109238 /nfs/dbraw/zinc/10/92/38/1433109238.db2.gz POBISHDUCCIBOZ-UHFFFAOYSA-N 0 1 395.419 3.137 20 5 GGBDMN CCN(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(C)C ZINC000194415211 1433174493 /nfs/dbraw/zinc/17/44/93/1433174493.db2.gz AGWWAVCAHIZUSX-UHFFFAOYSA-N 0 1 391.449 3.266 20 5 GGBDMN CN(C(=O)CSc1nc(Cc2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000194604436 1433204405 /nfs/dbraw/zinc/20/44/05/1433204405.db2.gz MAQPBZIHBQXSOW-UHFFFAOYSA-N 0 1 383.433 3.059 20 5 GGBDMN O=C(Nc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccoc1 ZINC000194621641 1433206857 /nfs/dbraw/zinc/20/68/57/1433206857.db2.gz XPNRZFBXNNTGFQ-UHFFFAOYSA-N 0 1 387.373 3.241 20 5 GGBDMN CC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000194724322 1433220244 /nfs/dbraw/zinc/22/02/44/1433220244.db2.gz YWLBWRBHRZZSDU-UHFFFAOYSA-N 0 1 387.776 3.147 20 5 GGBDMN COc1cccc(C2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000194785292 1433231711 /nfs/dbraw/zinc/23/17/11/1433231711.db2.gz LTBQSROHVMIISW-UHFFFAOYSA-N 0 1 380.404 3.500 20 5 GGBDMN COc1cc(CNc2ccc(C(=O)NCC(F)(F)F)cc2)cc([N+](=O)[O-])c1O ZINC000195109578 1433293697 /nfs/dbraw/zinc/29/36/97/1433293697.db2.gz COTOJECKMIFKKH-UHFFFAOYSA-N 0 1 399.325 3.213 20 5 GGBDMN Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000195138609 1433297983 /nfs/dbraw/zinc/29/79/83/1433297983.db2.gz DEYDVLQOAYKOPO-UHFFFAOYSA-N 0 1 388.855 3.225 20 5 GGBDMN COc1ccccc1[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)N1CCCCC1 ZINC000195155282 1433300504 /nfs/dbraw/zinc/30/05/04/1433300504.db2.gz OLAYNDDZBVOUFJ-IBGZPJMESA-N 0 1 398.463 3.143 20 5 GGBDMN CCc1cc(NC[C@H]2CN(CC(C)C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000195607711 1433341438 /nfs/dbraw/zinc/34/14/38/1433341438.db2.gz JWXIKWHERNDZJH-IBGZPJMESA-N 0 1 399.495 3.383 20 5 GGBDMN COc1cc(CNC[C@H](c2ccco2)N2CCCC2)c([N+](=O)[O-])cc1OC ZINC000237426788 1433402528 /nfs/dbraw/zinc/40/25/28/1433402528.db2.gz XSXMYRWHJHOEES-MRXNPFEDSA-N 0 1 375.425 3.132 20 5 GGBDMN COc1ccc(-c2ccc(CN[C@@H]3CC(=O)N(C(C)(C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000237440683 1433403348 /nfs/dbraw/zinc/40/33/48/1433403348.db2.gz GWAQULKCGGQTLC-CYBMUJFWSA-N 0 1 387.436 3.352 20 5 GGBDMN COc1cc(CNC[C@@H](c2ccco2)N2CCCC2)c([N+](=O)[O-])cc1OC ZINC000237451138 1433403569 /nfs/dbraw/zinc/40/35/69/1433403569.db2.gz XSXMYRWHJHOEES-INIZCTEOSA-N 0 1 375.425 3.132 20 5 GGBDMN COc1cc(CNC[C@@H](c2ccc(C)o2)N2CCCC2)c([N+](=O)[O-])cc1OC ZINC000237450455 1433403632 /nfs/dbraw/zinc/40/36/32/1433403632.db2.gz PQINSFQHEWSHHF-KRWDZBQOSA-N 0 1 389.452 3.440 20 5 GGBDMN O=[N+]([O-])c1cc(CNC[C@H](c2ccccc2Cl)N2CCOCC2)cs1 ZINC000237645763 1433414646 /nfs/dbraw/zinc/41/46/46/1433414646.db2.gz ZPVMWIQGMZCCRH-MRXNPFEDSA-N 0 1 381.885 3.473 20 5 GGBDMN O=[N+]([O-])c1cc(CNC[C@@H](c2ccccc2Cl)N2CCOCC2)cs1 ZINC000237651587 1433414889 /nfs/dbraw/zinc/41/48/89/1433414889.db2.gz ZPVMWIQGMZCCRH-INIZCTEOSA-N 0 1 381.885 3.473 20 5 GGBDMN Cc1ccc([C@@H](CNCc2cc([N+](=O)[O-])ccc2Cl)N2CCOCC2)o1 ZINC000237883985 1433431535 /nfs/dbraw/zinc/43/15/35/1433431535.db2.gz OXOJMKDEVFAUJN-QGZVFWFLSA-N 0 1 379.844 3.313 20 5 GGBDMN O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000245718776 1433505267 /nfs/dbraw/zinc/50/52/67/1433505267.db2.gz OLIAVEPJBJUURC-FXAWDEMLSA-N 0 1 395.459 3.427 20 5 GGBDMN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000246057233 1433562467 /nfs/dbraw/zinc/56/24/67/1433562467.db2.gz FQOJBQQXRQFXJT-VPZZIHKRSA-N 0 1 380.404 3.462 20 5 GGBDMN C[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1CNC(=O)OC(C)(C)C ZINC000246217361 1433582909 /nfs/dbraw/zinc/58/29/09/1433582909.db2.gz CZPSRBNIJAPAGA-JLSDUUJJSA-N 0 1 393.484 3.253 20 5 GGBDMN C[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1CNC(=O)OC(C)(C)C ZINC000246217354 1433582946 /nfs/dbraw/zinc/58/29/46/1433582946.db2.gz CZPSRBNIJAPAGA-FHLIZLRMSA-N 0 1 393.484 3.253 20 5 GGBDMN C[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000246217367 1433582990 /nfs/dbraw/zinc/58/29/90/1433582990.db2.gz CZPSRBNIJAPAGA-ZTFGCOKTSA-N 0 1 393.484 3.253 20 5 GGBDMN O=C(NC[C@@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000246245123 1433585991 /nfs/dbraw/zinc/58/59/91/1433585991.db2.gz IHLMQIXLSIQVBF-VQTJNVASSA-N 0 1 398.463 3.304 20 5 GGBDMN O=C(C[C@@H]1CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000246429290 1433611777 /nfs/dbraw/zinc/61/17/77/1433611777.db2.gz DAGVWTIZERDOAD-HOCLYGCPSA-N 0 1 390.461 3.133 20 5 GGBDMN COc1cc(C[N@@H+](C)C[C@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000246815231 1433672805 /nfs/dbraw/zinc/67/28/05/1433672805.db2.gz REXRAIRGCUFBEF-BXUZGUMPSA-N 0 1 392.374 3.137 20 5 GGBDMN COc1cc(CN(C)C[C@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000246815231 1433672806 /nfs/dbraw/zinc/67/28/06/1433672806.db2.gz REXRAIRGCUFBEF-BXUZGUMPSA-N 0 1 392.374 3.137 20 5 GGBDMN O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000247204640 1433690578 /nfs/dbraw/zinc/69/05/78/1433690578.db2.gz CDSULLUPYGZRSG-QZTJIDSGSA-N 0 1 378.860 3.423 20 5 GGBDMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000248404058 1433799289 /nfs/dbraw/zinc/79/92/89/1433799289.db2.gz POVBHDIRRKLQKK-QVDMIQRCSA-N 0 1 383.448 3.187 20 5 GGBDMN Cc1ccc([C@H]2CSCCN2C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000248450651 1433803758 /nfs/dbraw/zinc/80/37/58/1433803758.db2.gz IRSPJLDXGNEJQX-IEBWSBKVSA-N 0 1 388.489 3.433 20 5 GGBDMN O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248533878 1433807434 /nfs/dbraw/zinc/80/74/34/1433807434.db2.gz IWHQAOWWZRPHDS-FXAWDEMLSA-N 0 1 395.459 3.427 20 5 GGBDMN C[C@H](N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000249078870 1433834181 /nfs/dbraw/zinc/83/41/81/1433834181.db2.gz RHTLRSDHMDYPKB-NBHSMZAVSA-N 0 1 391.374 3.320 20 5 GGBDMN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000253476961 1433867886 /nfs/dbraw/zinc/86/78/86/1433867886.db2.gz CETJAOXWOJKOAP-UHFFFAOYSA-N 0 1 390.403 3.204 20 5 GGBDMN NC(=O)c1ccc(NC2CCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000253615114 1433870633 /nfs/dbraw/zinc/87/06/33/1433870633.db2.gz ONEVOCCIGFTTJV-UHFFFAOYSA-N 0 1 388.855 3.424 20 5 GGBDMN CCOc1ccc(C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000261618478 1433897409 /nfs/dbraw/zinc/89/74/09/1433897409.db2.gz BZDPFKMLLIMGDX-KRWDZBQOSA-N 0 1 389.839 3.434 20 5 GGBDMN COc1cc(C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000261965398 1433916913 /nfs/dbraw/zinc/91/69/13/1433916913.db2.gz LGRFVWARHMVXRW-INIZCTEOSA-N 0 1 375.812 3.044 20 5 GGBDMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000263517224 1434010552 /nfs/dbraw/zinc/01/05/52/1434010552.db2.gz PEZMSVUEWIBYEI-INIZCTEOSA-N 0 1 387.436 3.226 20 5 GGBDMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000263516205 1434010584 /nfs/dbraw/zinc/01/05/84/1434010584.db2.gz ABKWLFJUNJGPAK-UHFFFAOYSA-N 0 1 397.431 3.175 20 5 GGBDMN COc1cc(C[N@@H+](CC(=O)[O-])C(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000263516659 1434010858 /nfs/dbraw/zinc/01/08/58/1434010858.db2.gz OZYZGBPHSKKCON-UHFFFAOYSA-N 0 1 388.420 3.477 20 5 GGBDMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2cc(C)c([N+](=O)[O-])cc2Br)C1 ZINC000263538201 1434012374 /nfs/dbraw/zinc/01/23/74/1434012374.db2.gz AWDRNTXLVZQWCC-UHFFFAOYSA-N 0 1 386.246 3.015 20 5 GGBDMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000263546303 1434012548 /nfs/dbraw/zinc/01/25/48/1434012548.db2.gz HERPZLMLPJTVBX-UHFFFAOYSA-N 0 1 375.347 3.271 20 5 GGBDMN O=C([O-])C[N@@H+](CC1CC1)C1CC(Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000263550713 1434012986 /nfs/dbraw/zinc/01/29/86/1434012986.db2.gz KRCFGERQLYIKTI-UHFFFAOYSA-N 0 1 396.447 3.396 20 5 GGBDMN CC[N@@H+](CC(=O)[O-])C1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000263552486 1434012997 /nfs/dbraw/zinc/01/29/97/1434012997.db2.gz LXJTVVSRZXHZGB-UHFFFAOYSA-N 0 1 390.465 3.094 20 5 GGBDMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000263569152 1434013698 /nfs/dbraw/zinc/01/36/98/1434013698.db2.gz ZBBMUISYLQRGTL-CQSZACIVSA-N 0 1 390.465 3.094 20 5 GGBDMN COCCOc1ccccc1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000263780494 1434032966 /nfs/dbraw/zinc/03/29/66/1434032966.db2.gz FQJPCZDJRDHFIX-UHFFFAOYSA-N 0 1 396.447 3.310 20 5 GGBDMN O=C(c1csc([N+](=O)[O-])c1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000263796732 1434035077 /nfs/dbraw/zinc/03/50/77/1434035077.db2.gz SAGZEVRNGVUFMW-UHFFFAOYSA-N 0 1 383.433 3.461 20 5 GGBDMN Cc1[nH]nc(C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)c1[N+](=O)[O-] ZINC000265132176 1434188566 /nfs/dbraw/zinc/18/85/66/1434188566.db2.gz RXSFTMVHUXOHOL-UHFFFAOYSA-N 0 1 377.470 3.400 20 5 GGBDMN O=C(NC1CCN(CCOc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000265735135 1434261247 /nfs/dbraw/zinc/26/12/47/1434261247.db2.gz DAMXDCZWFONMAD-UHFFFAOYSA-N 0 1 393.440 3.069 20 5 GGBDMN COc1ccc(CN2CCC(C(=O)Nc3ccc(O)cc3)CC2)cc1[N+](=O)[O-] ZINC000265975763 1434291039 /nfs/dbraw/zinc/29/10/39/1434291039.db2.gz BKRZZWFJCFHAHR-UHFFFAOYSA-N 0 1 385.420 3.160 20 5 GGBDMN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCCN1CCc2sccc2C1 ZINC000266431244 1434335686 /nfs/dbraw/zinc/33/56/86/1434335686.db2.gz UHDIAXKRBZICMJ-UHFFFAOYSA-N 0 1 388.449 3.083 20 5 GGBDMN COc1ccc(OCCN2CCC(c3noc(C(C)C)n3)CC2)c([N+](=O)[O-])c1 ZINC000266522378 1434346358 /nfs/dbraw/zinc/34/63/58/1434346358.db2.gz IVXADPQFGWXZBL-UHFFFAOYSA-N 0 1 390.440 3.368 20 5 GGBDMN CCOCCOCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000266706434 1434365878 /nfs/dbraw/zinc/36/58/78/1434365878.db2.gz IDBKGMLHOSHNRS-UHFFFAOYSA-N 0 1 394.449 3.257 20 5 GGBDMN CC(=O)N1CCN(c2ccccc2CN[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000266907714 1434387534 /nfs/dbraw/zinc/38/75/34/1434387534.db2.gz VLQJZQNRUDELQO-MRXNPFEDSA-N 0 1 382.464 3.114 20 5 GGBDMN O=C(NC1CCN(Cc2cccnc2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000267134556 1434409687 /nfs/dbraw/zinc/40/96/87/1434409687.db2.gz GEBLFHJRTCPKGL-UHFFFAOYSA-N 0 1 380.404 3.130 20 5 GGBDMN COCCOC(=O)c1sc2[nH]c(-c3ccc([N+](=O)[O-])s3)nc(=O)c2c1C ZINC000268448385 1434523652 /nfs/dbraw/zinc/52/36/52/1434523652.db2.gz QOXZGPHSKJNJTK-UHFFFAOYSA-N 0 1 395.418 3.145 20 5 GGBDMN CC[C@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000268780794 1434556541 /nfs/dbraw/zinc/55/65/41/1434556541.db2.gz AHHWIYLSBWATFL-FQEVSTJZSA-N 0 1 383.448 3.308 20 5 GGBDMN CC(=O)N1CCN(c2ccccc2CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000268897542 1434568794 /nfs/dbraw/zinc/56/87/94/1434568794.db2.gz ZIYXZGOEEMKGOU-KRWDZBQOSA-N 0 1 396.491 3.423 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)Nc2nnc(Cc3ccccc3F)s2)c1[N+](=O)[O-] ZINC000269390394 1434636721 /nfs/dbraw/zinc/63/67/21/1434636721.db2.gz LUTIVAATQOYREQ-UHFFFAOYSA-N 0 1 390.400 3.275 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)c1[N+](=O)[O-] ZINC000269453706 1434648205 /nfs/dbraw/zinc/64/82/05/1434648205.db2.gz GUXWMRNUBVMSKO-OAHLLOKOSA-N 0 1 398.419 3.410 20 5 GGBDMN CCc1csc([C@@H]2CCCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])C2)n1 ZINC000269469175 1434650155 /nfs/dbraw/zinc/65/01/55/1434650155.db2.gz UIUTUWOYCGHQDJ-LLVKDONJSA-N 0 1 377.470 3.480 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2CC(=O)c2cccs2)c1[N+](=O)[O-] ZINC000269474315 1434650949 /nfs/dbraw/zinc/65/09/49/1434650949.db2.gz JEMMZHSYTADYDR-LLVKDONJSA-N 0 1 376.438 3.380 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000269474584 1434650981 /nfs/dbraw/zinc/65/09/81/1434650981.db2.gz JJPFBGOYVDVHIB-UHFFFAOYSA-N 0 1 388.268 3.398 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1[N+](=O)[O-] ZINC000269541435 1434657784 /nfs/dbraw/zinc/65/77/84/1434657784.db2.gz VIAGXEADBUJMBG-LJZMDLFKSA-N 0 1 378.454 3.012 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)c1[N+](=O)[O-] ZINC000269554057 1434659105 /nfs/dbraw/zinc/65/91/05/1434659105.db2.gz YPJOYWKFSWZIGI-VXGBXAGGSA-N 0 1 378.454 3.231 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000269738833 1434673128 /nfs/dbraw/zinc/67/31/28/1434673128.db2.gz YDBGZEUNDPSTAG-HUUCEWRRSA-N 0 1 390.415 3.309 20 5 GGBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2Cn2cnc3ccccc32)c1[N+](=O)[O-] ZINC000270224243 1434714600 /nfs/dbraw/zinc/71/46/00/1434714600.db2.gz PEUSXRDFEOPEAR-ZDUSSCGKSA-N 0 1 382.424 3.096 20 5 GGBDMN Cc1nc([C@H]2CCCN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)C2)n[nH]1 ZINC000270268732 1434718179 /nfs/dbraw/zinc/71/81/79/1434718179.db2.gz VVHGJGNLMIRALX-HNNXBMFYSA-N 0 1 379.424 3.171 20 5 GGBDMN Cc1nnc([C@H]2CCCN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)C2)[nH]1 ZINC000270268732 1434718183 /nfs/dbraw/zinc/71/81/83/1434718183.db2.gz VVHGJGNLMIRALX-HNNXBMFYSA-N 0 1 379.424 3.171 20 5 GGBDMN O=[N+]([O-])c1cc(CN2CCC[C@@H]2Cn2cnc3ccccc32)c2c(c1)COCO2 ZINC000270464295 1434735544 /nfs/dbraw/zinc/73/55/44/1434735544.db2.gz MMMAAACTWQJZPW-QGZVFWFLSA-N 0 1 394.431 3.476 20 5 GGBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCN(c4cncc(F)c4)CC3)o2)c1 ZINC000270901451 1434786419 /nfs/dbraw/zinc/78/64/19/1434786419.db2.gz MPEBZLNOISWMHN-UHFFFAOYSA-N 0 1 397.410 3.149 20 5 GGBDMN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000270937214 1434789481 /nfs/dbraw/zinc/78/94/81/1434789481.db2.gz XBBXZRBKCPIYJP-LBPRGKRZSA-N 0 1 381.392 3.356 20 5 GGBDMN C[C@@H](N[C@@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000271759642 1434848425 /nfs/dbraw/zinc/84/84/25/1434848425.db2.gz CJQDROHAQHOBBK-UONOGXRCSA-N 0 1 398.419 3.229 20 5 GGBDMN C[C@@H](N[C@@H](C)c1cccc(N2CCOC2=O)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000271786852 1434850669 /nfs/dbraw/zinc/85/06/69/1434850669.db2.gz JCNYGLGNTMLAES-UONOGXRCSA-N 0 1 398.419 3.229 20 5 GGBDMN C[C@@H](N[C@H](C)c1cccc(N2CCOC2=O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000271821853 1434852770 /nfs/dbraw/zinc/85/27/70/1434852770.db2.gz QGVKXVXZLJTBNK-ZIAGYGMSSA-N 0 1 398.419 3.229 20 5 GGBDMN C[C@@H](N[C@@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000271834074 1434853590 /nfs/dbraw/zinc/85/35/90/1434853590.db2.gz SKKAEGVEAPWDBO-UONOGXRCSA-N 0 1 398.419 3.229 20 5 GGBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(N2CCOC2=O)c1 ZINC000271848193 1434854525 /nfs/dbraw/zinc/85/45/25/1434854525.db2.gz VZWUKLAJBWEPSF-KGLIPLIRSA-N 0 1 398.419 3.229 20 5 GGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000271855558 1434855105 /nfs/dbraw/zinc/85/51/05/1434855105.db2.gz XSDCLYFDYVKMTA-AWEZNQCLSA-N 0 1 398.419 3.149 20 5 GGBDMN CN(CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000272480061 1434899207 /nfs/dbraw/zinc/89/92/07/1434899207.db2.gz CAUCIEJIDSWJSV-HXUWFJFHSA-N 0 1 379.464 3.139 20 5 GGBDMN CN(CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000272480055 1434899276 /nfs/dbraw/zinc/89/92/76/1434899276.db2.gz CAUCIEJIDSWJSV-FQEVSTJZSA-N 0 1 379.464 3.139 20 5 GGBDMN CN(C)[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000272483128 1434899617 /nfs/dbraw/zinc/89/96/17/1434899617.db2.gz CIJRMBLQPWWVKH-PMACEKPBSA-N 0 1 397.454 3.449 20 5 GGBDMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272501935 1434901125 /nfs/dbraw/zinc/90/11/25/1434901125.db2.gz XHVROXIOWXKPAZ-OAHLLOKOSA-N 0 1 396.359 3.304 20 5 GGBDMN Cn1ccnc1[C@@H](N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272575028 1434909465 /nfs/dbraw/zinc/90/94/65/1434909465.db2.gz WXTBKAICAVWYNQ-CTNGQTDRSA-N 0 1 391.475 3.282 20 5 GGBDMN Cn1ccnc1[C@H](N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272575050 1434909664 /nfs/dbraw/zinc/90/96/64/1434909664.db2.gz WXTBKAICAVWYNQ-TZIWHRDSSA-N 0 1 391.475 3.282 20 5 GGBDMN CN(C)[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000272587010 1434911173 /nfs/dbraw/zinc/91/11/73/1434911173.db2.gz ZLASKEBDHYXQAQ-FUHWJXTLSA-N 0 1 385.493 3.372 20 5 GGBDMN CN(C)[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000272587018 1434911347 /nfs/dbraw/zinc/91/13/47/1434911347.db2.gz ZLASKEBDHYXQAQ-WMZOPIPTSA-N 0 1 385.493 3.372 20 5 GGBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000272637594 1434918368 /nfs/dbraw/zinc/91/83/68/1434918368.db2.gz XEFCECNCDRFEIH-LLVKDONJSA-N 0 1 384.392 3.075 20 5 GGBDMN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272643437 1434919094 /nfs/dbraw/zinc/91/90/94/1434919094.db2.gz LXXAYXSHZLZDDM-AWEZNQCLSA-N 0 1 398.467 3.363 20 5 GGBDMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272675440 1434921533 /nfs/dbraw/zinc/92/15/33/1434921533.db2.gz LZOMJESPEGTYJS-STQMWFEESA-N 0 1 393.440 3.066 20 5 GGBDMN COc1ccc(NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000272786225 1434930861 /nfs/dbraw/zinc/93/08/61/1434930861.db2.gz FUARTXPKIPOCMO-AWEZNQCLSA-N 0 1 399.451 3.346 20 5 GGBDMN COc1ccc(NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000272786232 1434930909 /nfs/dbraw/zinc/93/09/09/1434930909.db2.gz FUARTXPKIPOCMO-CQSZACIVSA-N 0 1 399.451 3.346 20 5 GGBDMN Cc1cc(C2CCN([C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)[nH]n1 ZINC000272875093 1434938001 /nfs/dbraw/zinc/93/80/01/1434938001.db2.gz BFVAVAQXINSPDF-GFCCVEGCSA-N 0 1 391.859 3.486 20 5 GGBDMN Cc1cc(N2CCC[C@@H](c3nnc4n3CCC4)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272882500 1434938373 /nfs/dbraw/zinc/93/83/73/1434938373.db2.gz VTFBIRITBLITOT-CQSZACIVSA-N 0 1 378.436 3.373 20 5 GGBDMN COc1cc(CN2CCC(CCCO)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272910156 1434940358 /nfs/dbraw/zinc/94/03/58/1434940358.db2.gz HGSXDYYJAWWSJJ-UHFFFAOYSA-N 0 1 388.411 3.232 20 5 GGBDMN Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2ccc([S@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000272942499 1434942955 /nfs/dbraw/zinc/94/29/55/1434942955.db2.gz LFOTVMXFUWNOQN-IVAFGUPBSA-N 0 1 389.477 3.318 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273534964 1434995240 /nfs/dbraw/zinc/99/52/40/1434995240.db2.gz RPNNCXJZRZJROL-CJNGLKHVSA-N 0 1 398.387 3.072 20 5 GGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273534961 1434995289 /nfs/dbraw/zinc/99/52/89/1434995289.db2.gz RPNNCXJZRZJROL-BBRMVZONSA-N 0 1 398.387 3.072 20 5 GGBDMN O=[N+]([O-])c1cccc(-c2nc(CNCCc3cn4c(n3)SCC4)cs2)c1 ZINC000274271214 1435056793 /nfs/dbraw/zinc/05/67/93/1435056793.db2.gz RBBOYYKXLQBVMN-UHFFFAOYSA-N 0 1 387.490 3.353 20 5 GGBDMN Cn1cc([C@H]2OCCC[C@@H]2NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000275574783 1435149741 /nfs/dbraw/zinc/14/97/41/1435149741.db2.gz ORCISMLVSPFYPF-ZWKOTPCHSA-N 0 1 399.476 3.462 20 5 GGBDMN CS[C@@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@@H]1N(C)C ZINC000275910268 1435179218 /nfs/dbraw/zinc/17/92/18/1435179218.db2.gz DJNQHIHMZONKTR-RBUKOAKNSA-N 0 1 381.501 3.211 20 5 GGBDMN CCOc1cc(CN2CCC[C@H](c3nnc4ccccn43)C2)ccc1[N+](=O)[O-] ZINC000276931035 1435244242 /nfs/dbraw/zinc/24/42/42/1435244242.db2.gz QTNJFLWSIBGWLK-INIZCTEOSA-N 0 1 381.436 3.416 20 5 GGBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)n[nH]1 ZINC000276941726 1435245448 /nfs/dbraw/zinc/24/54/48/1435245448.db2.gz UUQFXZHQDRPQFK-VHSXEESVSA-N 0 1 380.836 3.440 20 5 GGBDMN COc1cc(C(=O)N2CC[C@H](n3c(C)nc4c3CCCC4)C2)cc([N+](=O)[O-])c1C ZINC000277038064 1435255053 /nfs/dbraw/zinc/25/50/53/1435255053.db2.gz LUYPKTGMSKSCKV-INIZCTEOSA-N 0 1 398.463 3.383 20 5 GGBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])n[nH]1 ZINC000277935906 1435343755 /nfs/dbraw/zinc/34/37/55/1435343755.db2.gz SFBLYSALUODXAW-UWVGGRQHSA-N 0 1 393.469 3.448 20 5 GGBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])n[nH]1 ZINC000277935909 1435343855 /nfs/dbraw/zinc/34/38/55/1435343855.db2.gz SFBLYSALUODXAW-VHSXEESVSA-N 0 1 393.469 3.448 20 5 GGBDMN Cn1nccc1N1CCC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000278106522 1435360057 /nfs/dbraw/zinc/36/00/57/1435360057.db2.gz AVKITHUJJWUTPN-HNNXBMFYSA-N 0 1 398.492 3.210 20 5 GGBDMN Cn1cc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000278342377 1435381722 /nfs/dbraw/zinc/38/17/22/1435381722.db2.gz HTTLVPRSEUDECH-GUYCJALGSA-N 0 1 398.385 3.131 20 5 GGBDMN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1CCCc2cn[nH]c21 ZINC000278635181 1435408209 /nfs/dbraw/zinc/40/82/09/1435408209.db2.gz LCJBWUAJQTZONQ-CYBMUJFWSA-N 0 1 383.330 3.214 20 5 GGBDMN COc1cc(CNC[C@H](O)c2cc(F)cc(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000278691360 1435414270 /nfs/dbraw/zinc/41/42/70/1435414270.db2.gz IXOTXMQJYHTKCH-HNNXBMFYSA-N 0 1 384.791 3.228 20 5 GGBDMN Cc1nn(C)c2ncc(CNCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc12 ZINC000278816058 1435426447 /nfs/dbraw/zinc/42/64/47/1435426447.db2.gz SWJFARHSVWWSSH-UHFFFAOYSA-N 0 1 379.342 3.494 20 5 GGBDMN CC1(C)C[C@@H](NCc2ccc(N3CCOCC3)nc2)c2cc([N+](=O)[O-])ccc21 ZINC000278997751 1435450531 /nfs/dbraw/zinc/45/05/31/1435450531.db2.gz FLTLCPYNMYFLQX-LJQANCHMSA-N 0 1 382.464 3.339 20 5 GGBDMN CC1(C)C[C@H](N[C@@H]2CCCN(Cc3ccccn3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000279139806 1435464450 /nfs/dbraw/zinc/46/44/50/1435464450.db2.gz RUJHOWZZPBYYQR-UXHICEINSA-N 0 1 394.475 3.493 20 5 GGBDMN O=C(CN(Cc1ccc(F)cc1)C1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000279330195 1435487169 /nfs/dbraw/zinc/48/71/69/1435487169.db2.gz TVURVULWYULIEX-UHFFFAOYSA-N 0 1 387.411 3.354 20 5 GGBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cc([N+](=O)[O-])c(F)cc3N)[nH]c2c1 ZINC000279481329 1435504176 /nfs/dbraw/zinc/50/41/76/1435504176.db2.gz QUWJDRYBFDDTQW-INIZCTEOSA-N 0 1 383.383 3.478 20 5 GGBDMN Cc1nc2ccccc2n1C1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000279792496 1435543901 /nfs/dbraw/zinc/54/39/01/1435543901.db2.gz KMUTVIGXEFQLRK-UHFFFAOYSA-N 0 1 380.404 3.436 20 5 GGBDMN Cc1cc(C2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000279802600 1435544952 /nfs/dbraw/zinc/54/49/52/1435544952.db2.gz KENFGEZDTBQAGJ-UHFFFAOYSA-N 0 1 380.807 3.368 20 5 GGBDMN CCCc1[nH]nc(C(=O)Nc2nnc(-c3cc(F)ccc3C)s2)c1[N+](=O)[O-] ZINC000279965283 1435570344 /nfs/dbraw/zinc/57/03/44/1435570344.db2.gz KQCVBCXEHGCOEL-UHFFFAOYSA-N 0 1 390.400 3.489 20 5 GGBDMN Cc1nc2ccccc2n1C1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000280164161 1435602104 /nfs/dbraw/zinc/60/21/04/1435602104.db2.gz FLLOGBNPLVMPDN-UHFFFAOYSA-N 0 1 393.447 3.189 20 5 GGBDMN CN(C(=O)[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1)c1ccccc1 ZINC000280709073 1435707594 /nfs/dbraw/zinc/70/75/94/1435707594.db2.gz HJSMNVWJEUTAAG-AWEZNQCLSA-N 0 1 380.404 3.221 20 5 GGBDMN Cc1ccc([C@H](NCCOc2ccccc2[N+](=O)[O-])[C@@H](C)S(C)(=O)=O)cc1 ZINC000280817457 1435725506 /nfs/dbraw/zinc/72/55/06/1435725506.db2.gz NANLKICSBSQPFV-DNVCBOLYSA-N 0 1 392.477 3.046 20 5 GGBDMN COc1cc(CN2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000281083821 1435771130 /nfs/dbraw/zinc/77/11/30/1435771130.db2.gz JNTOCGSIHRSEQK-OAHLLOKOSA-N 0 1 399.447 3.097 20 5 GGBDMN CN(C)[C@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000282747352 1435858884 /nfs/dbraw/zinc/85/88/84/1435858884.db2.gz YNFMXOPZBUVYOQ-MRXNPFEDSA-N 0 1 376.482 3.143 20 5 GGBDMN CC(C)(C)c1csc([C@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCO2)n1 ZINC000283023469 1435870801 /nfs/dbraw/zinc/87/08/01/1435870801.db2.gz GZUGCYSXQXCVBK-CQSZACIVSA-N 0 1 391.449 3.268 20 5 GGBDMN CC(C)(C)c1csc([C@@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCO2)n1 ZINC000283023464 1435870818 /nfs/dbraw/zinc/87/08/18/1435870818.db2.gz GZUGCYSXQXCVBK-AWEZNQCLSA-N 0 1 391.449 3.268 20 5 GGBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](n3c(C)nc4c3CCCC4)C2)c1 ZINC000283355547 1435885843 /nfs/dbraw/zinc/88/58/43/1435885843.db2.gz ZLNLAKZHJAPNPU-OAHLLOKOSA-N 0 1 398.463 3.464 20 5 GGBDMN CC(=O)c1cc(N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000283734016 1435913030 /nfs/dbraw/zinc/91/30/30/1435913030.db2.gz IDWXKYFNVZPTON-GASCZTMLSA-N 0 1 375.469 3.123 20 5 GGBDMN Cc1cc(F)c(NC(=O)NC2CCN(Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000283846625 1435935503 /nfs/dbraw/zinc/93/55/03/1435935503.db2.gz HMAWYOFWSBZSRM-UHFFFAOYSA-N 0 1 387.415 3.223 20 5 GGBDMN O=[N+]([O-])c1ccc(N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826498637 1441555478 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395.467 3.156 20 5 GGBDMN CC(C)N(C)Cc1cnc2n1CCN(c1ncnc3ccc([N+](=O)[O-])cc31)[C@@H]2C ZINC001164860451 720954219 /nfs/dbraw/zinc/95/42/19/720954219.db2.gz PUPKRULICZWQSC-CQSZACIVSA-N 0 1 395.467 3.156 20 5 GGBDMN CC(C)N(C)Cc1cnc2n1CCN(c1ncnc3cc([N+](=O)[O-])ccc31)[C@H]2C ZINC001164860519 720954263 /nfs/dbraw/zinc/95/42/63/720954263.db2.gz QLXJUPQKJQPTDL-AWEZNQCLSA-N 0 1 395.467 3.156 20 5 GGBDMN O=[N+]([O-])c1cc(Cl)cnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164896284 721512201 /nfs/dbraw/zinc/51/22/01/721512201.db2.gz AMYLWLMBOISGNN-ZBFHGGJFSA-N 0 1 392.818 3.124 20 5 GGBDMN COc1cccc(OC)c1CN1CCC(N(C)c2cccc([N+](=O)[O-])n2)CC1 ZINC001165021305 721839038 /nfs/dbraw/zinc/83/90/38/721839038.db2.gz LDQYLAOWCHJSRL-UHFFFAOYSA-N 0 1 386.452 3.108 20 5 GGBDMN Cc1ccc(CN2CCOC3(CCN(c4ncc([N+](=O)[O-])cc4C)CC3)C2)cc1 ZINC001164938809 721921290 /nfs/dbraw/zinc/92/12/90/721921290.db2.gz RPTGQXRMZQTWAY-UHFFFAOYSA-N 0 1 396.491 3.478 20 5 GGBDMN O=[N+]([O-])c1ccc2ccnc(N3CCN(CCOc4ccccc4)CC3)c2c1 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