smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(COC(=O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000005515481 203811254 /nfs/dbraw/zinc/81/12/54/203811254.db2.gz IBVOIFDQPVJLSZ-UHFFFAOYSA-N 0 0 364.697 3.196 40 5 FGBBRN COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 ZINC000003900417 204114740 /nfs/dbraw/zinc/11/47/40/204114740.db2.gz FCDYKXDGKIIWLT-UTNBAMHJSA-N 0 0 372.421 3.083 40 5 FGBBRN Nc1ccc(Br)cc1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000008418016 204330844 /nfs/dbraw/zinc/33/08/44/204330844.db2.gz LNOGSVIOLSIWNG-UHFFFAOYSA-N 0 0 366.127 3.079 40 5 FGBBRN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)nc2c1C(=O)C[C@H](C)C2 ZINC000013636162 204540415 /nfs/dbraw/zinc/54/04/15/204540415.db2.gz LVCYGYLONHONIG-MRVPVSSYSA-N 0 0 374.784 3.364 40 5 FGBBRN COc1cc(OCC(=O)Nc2cccc3c2CCCC3)ccc1[N+](=O)[O-] ZINC000022259310 204773958 /nfs/dbraw/zinc/77/39/58/204773958.db2.gz WPXUGDHFJLZXTG-UHFFFAOYSA-N 0 0 356.378 3.500 40 5 FGBBRN COc1cc(-c2n[nH]c(-c3ccccc3[N+](=O)[O-])n2)cc(OC)c1OC ZINC000034925936 204985839 /nfs/dbraw/zinc/98/58/39/204985839.db2.gz OKRMGOGZCHCVBQ-UHFFFAOYSA-N 0 0 356.338 3.073 40 5 FGBBRN COc1ccc(-c2nnc(NC(=O)Cc3ccccc3[N+](=O)[O-])s2)cc1 ZINC000136373320 206129625 /nfs/dbraw/zinc/12/96/25/206129625.db2.gz GVXKEDINOYRQMI-UHFFFAOYSA-N 0 0 370.390 3.303 40 5 FGBBRN CC[C@H](NC(=O)CCn1ccc([N+](=O)[O-])n1)C12CC3CC(CC(C3)C1)C2 ZINC000006489229 206201665 /nfs/dbraw/zinc/20/16/65/206201665.db2.gz ZLNBJCHZJMLDHS-DZPQGLOJSA-N 0 0 360.458 3.293 40 5 FGBBRN O=[N+]([O-])c1ccc(N2CCN(c3ccccn3)CC2)c(Br)c1 ZINC000258831091 132297535 /nfs/dbraw/zinc/29/75/35/132297535.db2.gz JJSFPHKHFMKDBB-UHFFFAOYSA-N 0 0 363.215 3.079 40 5 FGBBRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2=O)cc1C ZINC000007928003 263352398 /nfs/dbraw/zinc/35/23/98/263352398.db2.gz AXMZEYVYIRUJLL-CQSZACIVSA-N 0 0 353.378 3.203 40 5 FGBBRN Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000008273682 263353677 /nfs/dbraw/zinc/35/36/77/263353677.db2.gz LFAFBBGGVMJESF-UHFFFAOYSA-N 0 0 354.366 3.381 40 5 FGBBRN COc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c(OC)c1 ZINC000000936316 493779156 /nfs/dbraw/zinc/77/91/56/493779156.db2.gz JPEHYBGAXUMQLN-WEVVVXLNSA-N 0 0 358.350 3.273 40 5 FGBBRN O=C(NCc1ccccc1-n1ccnc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000030756772 493906224 /nfs/dbraw/zinc/90/62/24/493906224.db2.gz QYACYSPQLKRLQO-UHFFFAOYSA-N 0 0 356.769 3.364 40 5 FGBBRN O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccc([N+](=O)[O-])cc1 ZINC000033545150 494060724 /nfs/dbraw/zinc/06/07/24/494060724.db2.gz JYECQUZZYKZEAZ-UHFFFAOYSA-N 0 0 358.741 3.228 40 5 FGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cn2c3c(cccc3c1=O)CCC2 ZINC000022235484 494517499 /nfs/dbraw/zinc/51/74/99/494517499.db2.gz CGLCQRWIBDYXNF-UHFFFAOYSA-N 0 0 363.373 3.417 40 5 FGBBRN CCOc1ccc(S(=O)(=O)N(CC)c2cccc([N+](=O)[O-])c2)cc1 ZINC000224598565 497050396 /nfs/dbraw/zinc/05/03/96/497050396.db2.gz FFERCOHPDLVCPI-UHFFFAOYSA-N 0 0 350.396 3.209 40 5 FGBBRN CCOc1ccc(S(=O)(=O)N(C)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000224608782 497050442 /nfs/dbraw/zinc/05/04/42/497050442.db2.gz MJXFAWCIKPXSOG-UHFFFAOYSA-N 0 0 370.814 3.472 40 5 FGBBRN CC[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(OC)c(C)c1 ZINC000224582518 497050589 /nfs/dbraw/zinc/05/05/89/497050589.db2.gz XROWPXSSHQXTRV-CQSZACIVSA-N 0 0 364.423 3.341 40 5 FGBBRN CN(c1ccccc1Br)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224747299 497053246 /nfs/dbraw/zinc/05/32/46/497053246.db2.gz GOQUGFCNGHVOQJ-UHFFFAOYSA-N 0 0 371.212 3.182 40 5 FGBBRN CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225030231 497055005 /nfs/dbraw/zinc/05/50/05/497055005.db2.gz PRNZGVSXFBSJMB-UHFFFAOYSA-N 0 0 370.814 3.472 40 5 FGBBRN CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000225112774 497056482 /nfs/dbraw/zinc/05/64/82/497056482.db2.gz XLXNELHVDBYSHI-UHFFFAOYSA-N 0 0 368.386 3.266 40 5 FGBBRN CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cn1 ZINC000225872390 497078407 /nfs/dbraw/zinc/07/84/07/497078407.db2.gz PEVNTEQRGNOLDF-UHFFFAOYSA-N 0 0 371.393 3.075 40 5 FGBBRN CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408534302 499591863 /nfs/dbraw/zinc/59/18/63/499591863.db2.gz QFLWEQDVSGXVPM-UHFFFAOYSA-N 0 0 369.381 3.275 40 5 FGBBRN O=C(CSCc1cccc([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1 ZINC000408728236 499594543 /nfs/dbraw/zinc/59/45/43/499594543.db2.gz XQKDMMGWFJXUOT-UHFFFAOYSA-N 0 0 371.462 3.177 40 5 FGBBRN Cc1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000409072479 499595859 /nfs/dbraw/zinc/59/58/59/499595859.db2.gz SEICJZWSBFIXLW-OVCLIPMQSA-N 0 0 355.325 3.135 40 5 FGBBRN CC(C)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)n1 ZINC000329024809 519699715 /nfs/dbraw/zinc/69/97/15/519699715.db2.gz PBMWFMUWPGUNJF-UHFFFAOYSA-N 0 0 363.421 3.328 40 5 FGBBRN C[C@@H]1CCCC2=C1NN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@]2(O)C(F)(F)F ZINC000409177351 570583303 /nfs/dbraw/zinc/58/33/03/570583303.db2.gz FDNHUUAMQMPUEX-BCQZVRRWSA-N 0 0 371.315 3.094 40 5 FGBBRN O=[N+]([O-])c1ccc(C2=Nn3c(nnc3-c3ccc(Cl)cc3)SC2)o1 ZINC000003954657 204117496 /nfs/dbraw/zinc/11/74/96/204117496.db2.gz FBOLUDBCPRWEIO-UHFFFAOYSA-N 0 0 361.770 3.458 40 5 in-vitro FGBBRN COc1ccc(OCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000007815185 204307859 /nfs/dbraw/zinc/30/78/59/204307859.db2.gz GPHREWLZLORAAM-UHFFFAOYSA-N 0 0 350.758 3.066 40 5 FGBBRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1I ZINC000008569630 204335628 /nfs/dbraw/zinc/33/56/28/204335628.db2.gz ZPNYGGSYJAJOIH-UHFFFAOYSA-N 0 0 353.115 3.430 40 5 FGBBRN O=C(Cc1ccccc1[N+](=O)[O-])NCCOc1cccc2ccccc21 ZINC000054592465 205202015 /nfs/dbraw/zinc/20/20/15/205202015.db2.gz QAJSCQKKJXZEPM-UHFFFAOYSA-N 0 0 350.374 3.486 40 5 FGBBRN COc1ccc(-c2nnc(-c3ccc(OC)c([N+](=O)[O-])c3)o2)cc1[N+](=O)[O-] ZINC000002037308 493800367 /nfs/dbraw/zinc/80/03/67/493800367.db2.gz ZCKUCNRDDRIABG-UHFFFAOYSA-N 0 0 372.293 3.237 40 5 FGBBRN CCc1ccccc1N1C[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000060512818 493940926 /nfs/dbraw/zinc/94/09/26/493940926.db2.gz BHYWNWYGEYRIFJ-CQSZACIVSA-N 0 0 353.378 3.149 40 5 FGBBRN Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)o2)c([N+](=O)[O-])c1 ZINC000097601527 495039385 /nfs/dbraw/zinc/03/93/85/495039385.db2.gz DYFPWUOKXAMHJU-UHFFFAOYSA-N 0 0 371.378 3.079 40 5 FGBBRN COc1ccc(S(=O)(=O)N(C)c2cc([N+](=O)[O-])ccc2Cl)cc1C ZINC000224660859 497052286 /nfs/dbraw/zinc/05/22/86/497052286.db2.gz UWHSMUPHELARSM-UHFFFAOYSA-N 0 0 370.814 3.390 40 5 FGBBRN COc1ccc(C)cc1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225081007 497056331 /nfs/dbraw/zinc/05/63/31/497056331.db2.gz AADPCQVLKBASBO-UHFFFAOYSA-N 0 0 350.396 3.045 40 5 FGBBRN Cc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000408640511 499593307 /nfs/dbraw/zinc/59/33/07/499593307.db2.gz JBJXQILDFOFMEB-AWEZNQCLSA-N 0 0 353.378 3.203 40 5 FGBBRN CC1=C(C(=O)O[C@H]2CCC[C@@H](C)C2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000004065407 204119058 /nfs/dbraw/zinc/11/90/58/204119058.db2.gz RSFVOZCECOSQGZ-XQAQDONZSA-N 0 0 373.409 3.345 40 5 FGBBRN C[C@H]1C(=O)C[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000035590012 204995877 /nfs/dbraw/zinc/99/58/77/204995877.db2.gz ZXHZASIBIRBOFG-PBQZTSCYSA-N 0 0 355.350 3.484 40 5 FGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2cccs2)CC1 ZINC000007127061 206245476 /nfs/dbraw/zinc/24/54/76/206245476.db2.gz VXSLBJHRLAIQOT-UHFFFAOYSA-N 0 0 359.407 3.147 40 5 FGBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2ccccc2o1 ZINC000005034489 206239304 /nfs/dbraw/zinc/23/93/04/206239304.db2.gz DMVCAWCKIMOILA-UHFFFAOYSA-N 0 0 359.363 3.475 40 5 FGBBRN COc1cc(OCC(=O)NCCSC2CCCCC2)ccc1[N+](=O)[O-] ZINC000219821830 206391063 /nfs/dbraw/zinc/39/10/63/206391063.db2.gz OUOWYKIKBJSYFI-UHFFFAOYSA-N 0 0 368.455 3.164 40 5 FGBBRN Cc1cccc(N2C[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2=O)c1 ZINC000020372392 263379615 /nfs/dbraw/zinc/37/96/15/263379615.db2.gz RQXJDRCKLHRDRX-AWEZNQCLSA-N 0 0 353.378 3.203 40 5 FGBBRN S=C(Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4)N1CCCC1 ZINC000409002160 263516643 /nfs/dbraw/zinc/51/66/43/263516643.db2.gz YKLNMXJMGOMFAH-UHFFFAOYSA-N 0 0 366.446 3.347 40 5 FGBBRN O=Cc1cc([N+](=O)[O-])ccc1Sc1n[nH]c(COc2ccccc2F)n1 ZINC000409384865 263555004 /nfs/dbraw/zinc/55/50/04/263555004.db2.gz GBRXGZKYDXDRII-UHFFFAOYSA-N 0 0 374.353 3.395 40 5 FGBBRN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1F ZINC000001941376 493800502 /nfs/dbraw/zinc/80/05/02/493800502.db2.gz NDYRQHZTNMJKOO-UHFFFAOYSA-N 0 0 352.705 3.183 40 5 FGBBRN C[C@@H]1CCCC2=C1NN(C(=O)c1cccc([N+](=O)[O-])c1)[C@]2(O)C(F)(F)F ZINC000006522832 493966228 /nfs/dbraw/zinc/96/62/28/493966228.db2.gz FDNHUUAMQMPUEX-DDHOLCJHSA-N 0 0 371.315 3.094 40 5 FGBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000007504856 494026089 /nfs/dbraw/zinc/02/60/89/494026089.db2.gz CPVZQTLXYWAURD-UHFFFAOYSA-N 0 0 361.785 3.337 40 5 FGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCc1ccc(Cl)cc1 ZINC000013649770 494292507 /nfs/dbraw/zinc/29/25/07/494292507.db2.gz DDJQEHPOIAYINT-UHFFFAOYSA-N 0 0 368.842 3.468 40 5 FGBBRN C[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000018230994 494429809 /nfs/dbraw/zinc/42/98/09/494429809.db2.gz BVOTYHPZHPXKOC-LJLILKBBSA-N 0 0 354.362 3.257 40 5 FGBBRN CCc1c(C)n(Cc2ccc([N+](=O)[O-])cc2)c2nc3ccccc3n2c1=O ZINC000020798250 494481372 /nfs/dbraw/zinc/48/13/72/494481372.db2.gz IIKOTAUIRDMVSI-UHFFFAOYSA-N 0 0 362.389 3.477 40 5 FGBBRN Cc1ccc([N+](=O)[O-])cc1-c1oc(/C=C\C(N)=O)cc1Br ZINC000221397964 497019174 /nfs/dbraw/zinc/01/91/74/497019174.db2.gz YGHUIPXPHJEGNW-PLNGDYQASA-N 0 0 351.156 3.424 40 5 FGBBRN Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1[N+](=O)[O-] ZINC000223184594 497033156 /nfs/dbraw/zinc/03/31/56/497033156.db2.gz BTGNZGNHNLXLSP-ZDUSSCGKSA-N 0 0 360.435 3.431 40 5 FGBBRN O=[N+]([O-])c1cc(Nc2cc(C3CC3)nc(NC3CCCC3)n2)ccc1F ZINC000329041236 499023109 /nfs/dbraw/zinc/02/31/09/499023109.db2.gz SGTHACRTXYFJDY-UHFFFAOYSA-N 0 0 357.389 3.343 40 5 FGBBRN Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)o2)cc1[N+](=O)[O-] ZINC000408583916 499592450 /nfs/dbraw/zinc/59/24/50/499592450.db2.gz YRGOLDGYENBFSU-UHFFFAOYSA-N 0 0 371.378 3.079 40 5 FGBBRN Cc1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1C ZINC000408659875 499593588 /nfs/dbraw/zinc/59/35/88/499593588.db2.gz KWLXLNDEQFKMTD-HNNXBMFYSA-N 0 0 368.389 3.479 40 5 FGBBRN CCCCC1=C[C@](O)(C(F)(F)F)N(C(=O)c2ccccc2[N+](=O)[O-])N1 ZINC000408738563 499594648 /nfs/dbraw/zinc/59/46/48/499594648.db2.gz MCGQFVMEZAWLSN-AWEZNQCLSA-N 0 0 359.304 3.238 40 5 FGBBRN CCCOc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000409373601 570587559 /nfs/dbraw/zinc/58/75/59/570587559.db2.gz WFJQBQRHFDVFPL-UHFFFAOYSA-N 0 0 373.361 3.432 40 5 FGBBRN CCOC(=O)Cn1c2cc3ccccc3cc2nc(-c2ccccc2N)c1=O ZINC000001511565 204011321 /nfs/dbraw/zinc/01/13/21/204011321.db2.gz FKZCNSXFRCKVFS-UHFFFAOYSA-N 0 0 373.412 3.362 40 5 FGBBRN CCOC(=O)CCc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)cc1 ZINC000001642489 204015478 /nfs/dbraw/zinc/01/54/78/204015478.db2.gz XKPGTXPAAQXOAG-CSKARUKUSA-N 0 0 358.350 3.335 40 5 FGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC=CC[C@H]1C(=O)N1CCCCC1 ZINC000004104002 204120471 /nfs/dbraw/zinc/12/04/71/204120471.db2.gz JJAXGSODXIZZKC-IAGOWNOFSA-N 0 0 357.410 3.128 40 5 FGBBRN Cc1ccc(-c2noc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 ZINC000007759216 204305823 /nfs/dbraw/zinc/30/58/23/204305823.db2.gz UYMCPDDUDKXTCR-UHFFFAOYSA-N 0 0 352.350 3.192 40 5 FGBBRN CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000044900284 205113308 /nfs/dbraw/zinc/11/33/08/205113308.db2.gz QJKWJHAPEOEAJQ-MRXNPFEDSA-N 0 0 350.396 3.033 40 5 FGBBRN CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000046902707 205140610 /nfs/dbraw/zinc/14/06/10/205140610.db2.gz YNACFAXKPZHECB-UHFFFAOYSA-N 0 0 364.402 3.116 40 5 FGBBRN O=[N+]([O-])c1ccc2nc3c(nc2c1)O[C@H](c1ccc2c(c1)OCO2)C3O ZINC000103911045 205997285 /nfs/dbraw/zinc/99/72/85/205997285.db2.gz WFLJHZQSONECAX-MRXNPFEDSA-N 0 0 353.290 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FGBBRN COc1ccc(-c2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000136351833 495374256 /nfs/dbraw/zinc/37/42/56/495374256.db2.gz ZFAAHXMRWYWDLD-UHFFFAOYSA-N 0 0 356.363 3.374 40 5 FGBBRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCOc2cccc3ccccc32)cc1 ZINC000223530636 497038610 /nfs/dbraw/zinc/03/86/10/497038610.db2.gz ZNHDJCWJVIJEBK-UHFFFAOYSA-N 0 0 372.402 3.105 40 5 FGBBRN CC[C@@H](C)Nc1nc(NCc2ccccc2[N+](=O)[O-])cc(C(F)(F)F)n1 ZINC000329032872 499021528 /nfs/dbraw/zinc/02/15/28/499021528.db2.gz QQRKMHHHDCNZJZ-SNVBAGLBSA-N 0 0 369.347 3.070 40 5 FGBBRN CSc1ncc(/C=C/C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cn1 ZINC000408535413 499591869 /nfs/dbraw/zinc/59/18/69/499591869.db2.gz YREPCQVUJZANBZ-GORDUTHDSA-N 0 0 373.419 3.368 40 5 FGBBRN CC(C)c1ccc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc1 ZINC000408564988 499592261 /nfs/dbraw/zinc/59/22/61/499592261.db2.gz GYOUBGGADPYBHG-LDQXTDLNSA-N 0 0 365.433 3.332 40 5 FGBBRN O=C(Nc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408638758 499593318 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FGBBRN O=C(Nc1cccc(Cl)c1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000007882633 494049115 /nfs/dbraw/zinc/04/91/15/494049115.db2.gz BSUDAUXOLHGKMJ-LLVKDONJSA-N 0 0 359.769 3.240 40 5 FGBBRN Cc1cc(C)cc(N2C[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2=O)c1 ZINC000007882585 494049433 /nfs/dbraw/zinc/04/94/33/494049433.db2.gz CWOMPUBDOYNMFG-CQSZACIVSA-N 0 0 353.378 3.203 40 5 FGBBRN COc1ccc(NCCc2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1OC ZINC000064873698 494157012 /nfs/dbraw/zinc/15/70/12/494157012.db2.gz RUUHJPWNQXNVTG-UHFFFAOYSA-N 0 0 369.381 3.052 40 5 FGBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)Cn1cc(C=O)c2ccccc21 ZINC000014137353 494305730 /nfs/dbraw/zinc/30/57/30/494305730.db2.gz PIMNPVRKKZYILP-UHFFFAOYSA-N 0 0 353.334 3.009 40 5 FGBBRN CC(C)Oc1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000044848102 494383986 /nfs/dbraw/zinc/38/39/86/494383986.db2.gz YGILCQOXROEJGD-UHFFFAOYSA-N 0 0 350.396 3.324 40 5 FGBBRN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc4ccccc4n32)cc1[N+](=O)[O-] ZINC000017075037 494407925 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O=C(Oc1ccccc1Cl)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408657042 499593665 /nfs/dbraw/zinc/59/36/65/499593665.db2.gz IGVSLUIPHXOTOQ-LLVKDONJSA-N 0 0 360.753 3.207 40 5 FGBBRN Cc1ccc(-c2nnc(CN(C)C(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000408714079 499594249 /nfs/dbraw/zinc/59/42/49/499594249.db2.gz HZFKNFBTNZYFPM-UHFFFAOYSA-N 0 0 352.350 3.225 40 5 FGBBRN O=C1NC(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)S1 ZINC000408811465 499595051 /nfs/dbraw/zinc/59/50/51/499595051.db2.gz LKJNZOADGBEJCO-SDQBBNPISA-N 0 0 361.291 3.087 40 5 FGBBRN CCc1nc(SCc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)n[nH]1 ZINC000020611425 522135442 /nfs/dbraw/zinc/13/54/42/522135442.db2.gz QPAXEYVONDKYPQ-UHFFFAOYSA-N 0 0 373.394 3.413 40 5 FGBBRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(C2CC2)n1 ZINC000329064667 528482816 /nfs/dbraw/zinc/48/28/16/528482816.db2.gz XLDUHALUMUJNLW-MRXNPFEDSA-N 0 0 357.414 3.435 40 5 FGBBRN C[C@@H]1CCCC2=C1NN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@]2(O)C(F)(F)F ZINC000409177352 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ZINC000223199373 497033404 /nfs/dbraw/zinc/03/34/04/497033404.db2.gz YTRYZPWCSUBWLG-ZDUSSCGKSA-N 0 0 360.435 3.431 40 5 FGBBRN CCOc1cccc(CN(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000223726581 497042377 /nfs/dbraw/zinc/04/23/77/497042377.db2.gz PFQMFBMFHDQBEZ-UHFFFAOYSA-N 0 0 364.423 3.123 40 5 FGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)COc1cccc2c1CCCC2 ZINC000225115982 497057262 /nfs/dbraw/zinc/05/72/62/497057262.db2.gz JAENJDDHJHAWQU-UHFFFAOYSA-N 0 0 356.378 3.500 40 5 FGBBRN CC(C)CSc1nnc(NC(=O)Cc2ccccc2[N+](=O)[O-])s1 ZINC000225715710 497072827 /nfs/dbraw/zinc/07/28/27/497072827.db2.gz QHZHLQAJJQDEDE-UHFFFAOYSA-N 0 0 352.441 3.376 40 5 FGBBRN COc1ccccc1NC(=O)c1cnc(-c2cccc([N+](=O)[O-])c2)nc1 ZINC000408529337 499591532 /nfs/dbraw/zinc/59/15/32/499591532.db2.gz GYJXZCVOVFUGGZ-UHFFFAOYSA-N 0 0 350.334 3.313 40 5 FGBBRN Cc1cccc(C)c1NC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408642532 499593389 /nfs/dbraw/zinc/59/33/89/499593389.db2.gz OTFIQNNMLZQSJD-AWEZNQCLSA-N 0 0 353.378 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O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000011475084 494179149 /nfs/dbraw/zinc/17/91/49/494179149.db2.gz MSHQWZWKJCRNLE-UHFFFAOYSA-N 0 0 373.369 3.045 40 5 FGBBRN COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1C ZINC000135687515 495326157 /nfs/dbraw/zinc/32/61/57/495326157.db2.gz KLPIYMVHSOVCCN-UHFFFAOYSA-N 0 0 350.396 3.329 40 5 FGBBRN CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225034527 497055246 /nfs/dbraw/zinc/05/52/46/497055246.db2.gz RPVVOKMGXBQWAK-UHFFFAOYSA-N 0 0 365.367 3.027 40 5 FGBBRN COc1ccc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)cc1[N+](=O)[O-] ZINC000408619229 499593205 /nfs/dbraw/zinc/59/32/05/499593205.db2.gz AIJZJJUSMNWFJS-UHFFFAOYSA-N 0 0 374.246 3.421 40 5 FGBBRN CCCc1nnc(SCC(=O)Nc2c(C)cc(C)cc2[N+](=O)[O-])o1 ZINC000020033826 521569960 /nfs/dbraw/zinc/56/99/60/521569960.db2.gz OIRLLZVPUAGDLF-UHFFFAOYSA-N 0 0 350.400 3.278 40 5 FGBBRN COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CC[N@@+]1(C)[O-] ZINC000253529710 523019829 /nfs/dbraw/zinc/01/98/29/523019829.db2.gz NBDQYITZRPEYEM-LHSJRXKWSA-N 0 0 357.406 3.183 40 5 biogenic,in-vitro FGBBRN O=c1oc2ccc(Cl)cc2c(=O)n1-c1cc(Cl)ccc1[N+](=O)[O-] ZINC000001591110 204013294 /nfs/dbraw/zinc/01/32/94/204013294.db2.gz VIUTZULDRPMUTJ-UHFFFAOYSA-N 0 0 353.117 3.159 40 5 FGBBRN O=C1NC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1ccc(Br)cc1 ZINC000003173849 204081392 /nfs/dbraw/zinc/08/13/92/204081392.db2.gz YTULLWICDZATGL-ZROIWOOFSA-N 0 0 372.178 3.275 40 5 FGBBRN Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)NCCc2ccccc2)cc1 ZINC000002756129 204054538 /nfs/dbraw/zinc/05/45/38/204054538.db2.gz FOCUUAYFGFZLJT-UHFFFAOYSA-N 0 0 364.405 3.121 40 5 FGBBRN COc1ccc(CN(C(C)=O)c2cc(C)c([N+](=O)[O-])cc2OC)cc1OC ZINC000005181024 204196251 /nfs/dbraw/zinc/19/62/51/204196251.db2.gz FYHIZSWDWJOYBD-UHFFFAOYSA-N 0 0 374.393 3.482 40 5 FGBBRN CSc1ccc(CN(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000007247496 204292890 /nfs/dbraw/zinc/29/28/90/204292890.db2.gz YPEFUTIAQFMRQB-UHFFFAOYSA-N 0 0 366.464 3.446 40 5 FGBBRN O=C(NCc1nc(-c2ccccc2)no1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007721336 204304645 /nfs/dbraw/zinc/30/46/45/204304645.db2.gz KUYNOOYDVFEUOU-UHFFFAOYSA-N 0 0 358.741 3.228 40 5 FGBBRN Cc1cccc(-c2noc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)c1 ZINC000007759212 204305954 /nfs/dbraw/zinc/30/59/54/204305954.db2.gz MDLAVXWGMRVWJR-UHFFFAOYSA-N 0 0 352.350 3.192 40 5 FGBBRN O=c1c2cc3c(ccn(C4CCCC4)c3=O)nc2ccn1-c1ccccn1 ZINC000038829312 205043597 /nfs/dbraw/zinc/04/35/97/205043597.db2.gz AZHJBZKSBHFJOA-UHFFFAOYSA-N 0 0 358.401 3.211 40 5 FGBBRN CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000044900283 205112376 /nfs/dbraw/zinc/11/23/76/205112376.db2.gz QJKWJHAPEOEAJQ-INIZCTEOSA-N 0 0 350.396 3.033 40 5 FGBBRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000044850125 205112435 /nfs/dbraw/zinc/11/24/35/205112435.db2.gz MDWMOIYFMIVAQX-INIZCTEOSA-N 0 0 360.366 3.408 40 5 FGBBRN O=[N+]([O-])c1cccc([C@@H]2Oc3nc4cc([N+](=O)[O-])ccc4nc3C2O)c1 ZINC000104097548 205998339 /nfs/dbraw/zinc/99/83/39/205998339.db2.gz NUTBSPVKUAEZGT-HNNXBMFYSA-N 0 0 354.278 3.500 40 5 FGBBRN CC(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000106022384 206011885 /nfs/dbraw/zinc/01/18/85/206011885.db2.gz INJLQZRUQYRZLB-UHFFFAOYSA-N 0 0 362.254 3.471 40 5 FGBBRN CCNC(=O)N[C@@H]1C=C[C@@H](c2c(C)nn(-c3ccccc3[N+](=O)[O-])c2C)C1 ZINC000008636101 206215852 /nfs/dbraw/zinc/21/58/52/206215852.db2.gz OBOPSDSPEGTKCR-HUUCEWRRSA-N 0 0 369.425 3.129 40 5 biogenic,in-vitro FGBBRN O=C(CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000104181972 222353032 /nfs/dbraw/zinc/35/30/32/222353032.db2.gz LHPCXAVFHOHRMG-UHFFFAOYSA-N 0 0 363.307 3.386 40 5 FGBBRN O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)NC1CCCCC1 ZINC000008209532 263353166 /nfs/dbraw/zinc/35/31/66/263353166.db2.gz ILUZOUFWPVRIDZ-UHFFFAOYSA-N 0 0 362.411 3.186 40 5 FGBBRN O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1cccc([N+](=O)[O-])c1 ZINC000008378482 263354549 /nfs/dbraw/zinc/35/45/49/263354549.db2.gz XOPCETVRNHYSEU-UHFFFAOYSA-N 0 0 359.451 3.168 40 5 FGBBRN CC(C)CC(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br ZINC000008559920 263356294 /nfs/dbraw/zinc/35/62/94/263356294.db2.gz GKJNZZKGJAZPEE-UHFFFAOYSA-N 0 0 360.233 3.216 40 5 FGBBRN COc1cc(CO)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409120060 263529627 /nfs/dbraw/zinc/52/96/27/263529627.db2.gz USTURPPFBMTUMS-UHFFFAOYSA-N 0 0 354.702 3.450 40 5 FGBBRN O=C1N/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 ZINC000409206084 263542009 /nfs/dbraw/zinc/54/20/09/263542009.db2.gz MFLKQNOHTBTQAM-ZSOIEALJSA-N 0 0 357.753 3.341 40 5 FGBBRN CCOc1cccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000008902395 494108711 /nfs/dbraw/zinc/10/87/11/494108711.db2.gz XAWAOLOYLBSOHC-UHFFFAOYSA-N 0 0 371.393 3.082 40 5 FGBBRN Cc1nc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)nc2c1C(=O)C[C@H](C)C2 ZINC000013636156 494291326 /nfs/dbraw/zinc/29/13/26/494291326.db2.gz VEJRDNBAJDMKAS-MRVPVSSYSA-N 0 0 374.784 3.364 40 5 FGBBRN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc4ccccc4n32)cc1[N+](=O)[O-] ZINC000017075036 494407649 /nfs/dbraw/zinc/40/76/49/494407649.db2.gz ZYXVNHHUWIWYGH-HNNXBMFYSA-N 0 0 365.349 3.424 40 5 FGBBRN C[C@H]1CC(=O)c2cn3nc(SCc4cccc([N+](=O)[O-])c4)nc3nc2C1 ZINC000020632359 494478527 /nfs/dbraw/zinc/47/85/27/494478527.db2.gz LFBMLDYSUPWIEX-SNVBAGLBSA-N 0 0 369.406 3.090 40 5 FGBBRN CC1CCN(c2nc3nccc(-c4cccc([N+](=O)[O-])c4)c3c(=O)[nH]2)CC1 ZINC000022606915 494528627 /nfs/dbraw/zinc/52/86/27/494528627.db2.gz FNUWLPZLBLJONJ-UHFFFAOYSA-N 0 0 365.393 3.130 40 5 FGBBRN COC(=O)c1c(C)n(C(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000216937335 496993042 /nfs/dbraw/zinc/99/30/42/496993042.db2.gz BHMGBVFMMXYKNO-UHFFFAOYSA-N 0 0 368.345 3.364 40 5 FGBBRN CCOc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000408587197 499592525 /nfs/dbraw/zinc/59/25/25/499592525.db2.gz SEDXWRJZVUOOGU-UHFFFAOYSA-N 0 0 356.787 3.448 40 5 FGBBRN O=C(NC(=S)Nc1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000408628758 499593379 /nfs/dbraw/zinc/59/33/79/499593379.db2.gz XEBUBKLEGNGBQB-UHFFFAOYSA-N 0 0 370.434 3.322 40 5 FGBBRN CC(C)c1ccccc1OCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000078644029 519847442 /nfs/dbraw/zinc/84/74/42/519847442.db2.gz FOVAIXBRPWXOAL-UHFFFAOYSA-N 0 0 364.423 3.076 40 5 FGBBRN CCN(Cc1nc(-c2cccs2)no1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000218163579 521446562 /nfs/dbraw/zinc/44/65/62/521446562.db2.gz VPUJTLHMOKVZPV-UHFFFAOYSA-N 0 0 372.406 3.298 40 5 FGBBRN O=C(NCCSC1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000409025619 570714265 /nfs/dbraw/zinc/71/42/65/570714265.db2.gz UYNAZXWKLICCDC-UHFFFAOYSA-N 0 0 353.400 3.299 40 5 FGBBRN O=C1N/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1ccccc1 ZINC000409195191 570738543 /nfs/dbraw/zinc/73/85/43/570738543.db2.gz NJQKTOILKZJTGE-DHDCSXOGSA-N 0 0 357.753 3.341 40 5 FGBBRN COc1ccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1[N+](=O)[O-] ZINC000409231630 570743933 /nfs/dbraw/zinc/74/39/33/570743933.db2.gz DLPDGDNIAPINNX-OQLLNIDSSA-N 0 0 367.361 3.005 40 5 FGBBRN CCNc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2ccncc2)n1 ZINC000328963773 203844618 /nfs/dbraw/zinc/84/46/18/203844618.db2.gz BQUFIXRTHZUGDR-UHFFFAOYSA-N 0 0 370.800 3.119 40 5 FGBBRN COc1cc([C@H](O)c2ccc(Br)cc2)c([N+](=O)[O-])cc1OC ZINC000004290858 204130672 /nfs/dbraw/zinc/13/06/72/204130672.db2.gz WGFAIWSMELBPEV-OAHLLOKOSA-N 0 0 368.183 3.456 40 5 FGBBRN NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3ncccc32)cc1 ZINC000006229331 204242475 /nfs/dbraw/zinc/24/24/75/204242475.db2.gz FNZOWNMQXCJNJA-UHFFFAOYSA-N 0 0 350.403 3.174 40 5 FGBBRN COc1ccc(CCCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000065086863 205317332 /nfs/dbraw/zinc/31/73/32/205317332.db2.gz FZDCIAZNYANQMU-UHFFFAOYSA-N 0 0 358.394 3.283 40 5 FGBBRN CCC1=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@](O)(c2ccc(C)cc2)C1 ZINC000000827428 206133571 /nfs/dbraw/zinc/13/35/71/206133571.db2.gz IESJVVPRMOTVCD-LJQANCHMSA-N 0 0 353.378 3.360 40 5 FGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000006615209 206243729 /nfs/dbraw/zinc/24/37/29/206243729.db2.gz HMZWZAIQYYTBRD-UHFFFAOYSA-N 0 0 356.338 3.356 40 5 FGBBRN COc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000003514291 263330070 /nfs/dbraw/zinc/33/00/70/263330070.db2.gz AWQRGGQCFMCZNV-UHFFFAOYSA-N 0 0 364.741 3.052 40 5 FGBBRN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc2nsnc2c1 ZINC000059294504 493903392 /nfs/dbraw/zinc/90/33/92/493903392.db2.gz YSRDGWOSKZCIPQ-UHFFFAOYSA-N 0 0 357.376 3.462 40 5 FGBBRN CCc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000007927957 494053259 /nfs/dbraw/zinc/05/32/59/494053259.db2.gz QFBGKKRZAUQLNM-CQSZACIVSA-N 0 0 353.378 3.149 40 5 FGBBRN CCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC000007928521 494053320 /nfs/dbraw/zinc/05/33/20/494053320.db2.gz VFTPIFUUYXMCLH-OAHLLOKOSA-N 0 0 367.405 3.457 40 5 FGBBRN Cc1ccc(C)c(OC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000007929178 494054061 /nfs/dbraw/zinc/05/40/61/494054061.db2.gz GLBGRYKQVZPPRL-AWEZNQCLSA-N 0 0 354.362 3.170 40 5 FGBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccccc2)CC1 ZINC000020238359 494469933 /nfs/dbraw/zinc/46/99/33/494469933.db2.gz RDFFPHXWWTVTHE-UHFFFAOYSA-N 0 0 371.462 3.177 40 5 FGBBRN C[C@@H]1CC(=O)c2cn3nc(SCc4ccc([N+](=O)[O-])cc4)nc3nc2C1 ZINC000020632291 494478189 /nfs/dbraw/zinc/47/81/89/494478189.db2.gz KSHVUHNQIJYLMJ-JTQLQIEISA-N 0 0 369.406 3.090 40 5 FGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2C)C1 ZINC000021347252 494493672 /nfs/dbraw/zinc/49/36/72/494493672.db2.gz DIDILDDTGLOOSL-CQSZACIVSA-N 0 0 353.378 3.203 40 5 FGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cn(C)c2ccc(F)cc2c1=O ZINC000022236477 494517648 /nfs/dbraw/zinc/51/76/48/494517648.db2.gz RRFGGZNWITUGQP-UHFFFAOYSA-N 0 0 355.325 3.147 40 5 FGBBRN COc1ccc(S(=O)(=O)N(C)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000224872325 497053148 /nfs/dbraw/zinc/05/31/48/497053148.db2.gz MUHRGBVRCNFCMK-UHFFFAOYSA-N 0 0 356.787 3.082 40 5 FGBBRN COc1ccc(S(=O)(=O)N(C)c2cc([N+](=O)[O-])ccc2C)cc1Cl ZINC000224964641 497054154 /nfs/dbraw/zinc/05/41/54/497054154.db2.gz DJXIAGCUKREAOE-UHFFFAOYSA-N 0 0 370.814 3.390 40 5 FGBBRN CN(c1cccc(Br)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225020377 497055198 /nfs/dbraw/zinc/05/51/98/497055198.db2.gz VNDXVWYGADAKBL-UHFFFAOYSA-N 0 0 371.212 3.182 40 5 FGBBRN CCn1c2cc(NC(=O)c3ccccc3F)c([N+](=O)[O-])cc2n(CC)c1=O ZINC000408534650 499591832 /nfs/dbraw/zinc/59/18/32/499591832.db2.gz WFYAQBMAWCBZQF-UHFFFAOYSA-N 0 0 372.356 3.142 40 5 FGBBRN CN(Cc1nnc(-c2ccccc2)o1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000408713942 499594400 /nfs/dbraw/zinc/59/44/00/499594400.db2.gz DHQNXJSSFWAACU-FMIVXFBMSA-N 0 0 364.361 3.317 40 5 FGBBRN Cc1ccc2c([nH]c(=O)c3c(=O)cc(C(=O)OCCC(C)C)oc23)c1C ZINC000000538285 219304852 /nfs/dbraw/zinc/30/48/52/219304852.db2.gz NFQIAEMCQGTTIR-UHFFFAOYSA-N 0 0 355.390 3.454 40 5 world FGBBRN Nc1c(Br)cc(Br)c([N+](=O)[O-])c1Br ZINC000003096053 204078003 /nfs/dbraw/zinc/07/80/03/204078003.db2.gz WXKZWLNXOMHHIV-UHFFFAOYSA-N 0 0 374.814 3.465 40 5 FGBBRN CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000010675371 204399877 /nfs/dbraw/zinc/39/98/77/204399877.db2.gz ABFKVOZNSDWTNG-CYBMUJFWSA-N 0 0 364.423 3.341 40 5 FGBBRN Cc1cc(C)c(C)c(S(=O)(=O)n2cnc3cc([N+](=O)[O-])ccc32)c1C ZINC000041095987 205088647 /nfs/dbraw/zinc/08/86/47/205088647.db2.gz QEPYKPNMZMDITG-UHFFFAOYSA-N 0 0 359.407 3.415 40 5 FGBBRN O=C(NCc1nc(-c2cccs2)no1)c1ccc([N+](=O)[O-])cc1Cl ZINC000065778713 205361348 /nfs/dbraw/zinc/36/13/48/205361348.db2.gz BGSHCXKBTSRTTQ-UHFFFAOYSA-N 0 0 364.770 3.290 40 5 FGBBRN COc1cc(OCC(=O)Nc2ccc(N3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000066015584 205362099 /nfs/dbraw/zinc/36/20/99/205362099.db2.gz SPAFTDTTWRKQHV-UHFFFAOYSA-N 0 0 371.393 3.221 40 5 FGBBRN O=C(N1CCOCC1)C12C[C@@H]3C[C@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2 ZINC000001452413 206150256 /nfs/dbraw/zinc/15/02/56/206150256.db2.gz QJCKLNCMTGLKIJ-XBLGPDGASA-N 0 0 370.449 3.292 40 5 FGBBRN O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004981348 206187981 /nfs/dbraw/zinc/18/79/81/206187981.db2.gz XLVXYSIRXFHZDJ-INIZCTEOSA-N 0 0 354.366 3.230 40 5 FGBBRN COc1ccc(C(=O)Nc2ncccc2Br)cc1[N+](=O)[O-] ZINC000006625085 206243935 /nfs/dbraw/zinc/24/39/35/206243935.db2.gz JIHHAUSOZWAMRX-UHFFFAOYSA-N 0 0 352.144 3.013 40 5 FGBBRN CCCCC(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br ZINC000014009762 206308357 /nfs/dbraw/zinc/30/83/57/206308357.db2.gz XNMUICLDPFYQKH-UHFFFAOYSA-N 0 0 360.233 3.361 40 5 FGBBRN Cn1c(=O)sc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc21 ZINC000225022469 206467887 /nfs/dbraw/zinc/46/78/87/206467887.db2.gz YZXUTKDKTVYBDQ-UHFFFAOYSA-N 0 0 363.782 3.414 40 5 FGBBRN CCCN1C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C1=O ZINC000409245636 263546526 /nfs/dbraw/zinc/54/65/26/263546526.db2.gz WVFAGNPIAILBMO-GDNBJRDFSA-N 0 0 355.350 3.466 40 5 FGBBRN COc1ccc(CN(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000029264347 493830181 /nfs/dbraw/zinc/83/01/81/493830181.db2.gz ZLAKDMGAKXQYSY-YRNVUSSQSA-N 0 0 356.378 3.284 40 5 FGBBRN O=C(NC(=S)Nc1ccccn1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000006817011 493981870 /nfs/dbraw/zinc/98/18/70/493981870.db2.gz VZLKRRSOQSUWTC-UHFFFAOYSA-N 0 0 368.374 3.377 40 5 FGBBRN CCCOC(=O)c1cc(Cl)c(Sc2nnc(C)[nH]2)c([N+](=O)[O-])c1 ZINC000070462505 494044497 /nfs/dbraw/zinc/04/44/97/494044497.db2.gz NJLOYKNZZYZMRK-UHFFFAOYSA-N 0 0 356.791 3.393 40 5 FGBBRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(F)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000007928487 494053534 /nfs/dbraw/zinc/05/35/34/494053534.db2.gz OYRXYNSGHRDYND-GFCCVEGCSA-N 0 0 357.341 3.034 40 5 FGBBRN O=[N+]([O-])c1ccccc1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000039956739 494124874 /nfs/dbraw/zinc/12/48/74/494124874.db2.gz NLDSYUZJJWFVSU-UHFFFAOYSA-N 0 0 353.132 3.273 40 5 FGBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCC1(c2ccccc2)CCOCC1 ZINC000016849007 494402903 /nfs/dbraw/zinc/40/29/03/494402903.db2.gz VSCICQLPLTYTOA-MDZDMXLPSA-N 0 0 366.417 3.473 40 5 FGBBRN O=C1c2ccccc2N/C1=c1/c2ccccc2n2c1nc1ccccc1c2=O ZINC000102176295 495123905 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/nfs/dbraw/zinc/40/76/55/494407655.db2.gz MCGYNAHCQLQYCA-OAHLLOKOSA-N 0 0 365.349 3.424 40 5 FGBBRN COc1ccc(/C=C/C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000020496199 494474381 /nfs/dbraw/zinc/47/43/81/494474381.db2.gz HUIFSQQQVMOYFQ-NYYWCZLTSA-N 0 0 366.333 3.305 40 5 FGBBRN CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1cccc([N+](=O)[O-])c1)cn2C ZINC000022237279 494517688 /nfs/dbraw/zinc/51/76/88/494517688.db2.gz JBMWTHVZASBRJI-UHFFFAOYSA-N 0 0 367.361 3.098 40 5 FGBBRN Cc1ccc([N+](=O)[O-])cc1-c1oc(/C=C/C(N)=O)cc1Br ZINC000057351229 494720327 /nfs/dbraw/zinc/72/03/27/494720327.db2.gz YGHUIPXPHJEGNW-SNAWJCMRSA-N 0 0 351.156 3.424 40 5 FGBBRN O=C1c2ccccc2N/C1=c1\c2ccccc2n2c1nc1ccccc1c2=O ZINC000101100339 495067655 /nfs/dbraw/zinc/06/76/55/495067655.db2.gz DXENDDMPDZMHSQ-FMQUCBEESA-N 0 0 363.376 3.136 40 5 biogenic,in-vitro FGBBRN COc1cc2c(cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1)CCCC2 ZINC000225566445 497066885 /nfs/dbraw/zinc/06/68/85/497066885.db2.gz GNJZIOUZORITIN-UHFFFAOYSA-N 0 0 362.407 3.283 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/nfs/dbraw/zinc/58/55/94/570585594.db2.gz QLQUCILYAUFXNG-MDWZMJQESA-N 0 0 373.752 3.354 40 5 FGBBRN COc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000409406351 570588162 /nfs/dbraw/zinc/58/81/62/570588162.db2.gz BWZNFYDWAASHPH-CSKARUKUSA-N 0 0 358.350 3.273 40 5 FGBBRN COc1ccc(OC[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000010542530 204398719 /nfs/dbraw/zinc/39/87/19/204398719.db2.gz DEGCRAWIYCABLX-LLVKDONJSA-N 0 0 364.785 3.454 40 5 FGBBRN COc1ccc(CCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC ZINC000065086337 205316960 /nfs/dbraw/zinc/31/69/60/205316960.db2.gz VEMKZZXGLALSEM-UHFFFAOYSA-N 0 0 358.394 3.283 40 5 FGBBRN COc1cccc(OCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000105904620 206012290 /nfs/dbraw/zinc/01/22/90/206012290.db2.gz BQWCIUHRORJERV-UHFFFAOYSA-N 0 0 350.758 3.066 40 5 FGBBRN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C ZINC000182018653 206313873 /nfs/dbraw/zinc/31/38/73/206313873.db2.gz AGSYUUWEWHKVJM-UHFFFAOYSA-N 0 0 356.787 3.366 40 5 FGBBRN O=[N+]([O-])c1cccc(S(=O)(=O)NCCOc2cccc3ccccc32)c1 ZINC000195537836 206332353 /nfs/dbraw/zinc/33/23/53/206332353.db2.gz OLLOURUEUYGYEQ-UHFFFAOYSA-N 0 0 372.402 3.105 40 5 FGBBRN CCOc1cccc(C(=O)Nc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)c1 ZINC000008560790 263355753 /nfs/dbraw/zinc/35/57/53/263355753.db2.gz WQGDFGAGNHHQFW-UHFFFAOYSA-N 0 0 361.310 3.163 40 5 FGBBRN O=[N+]([O-])c1cc2c3c(nn2-c2ccccc2)[C@@H]2OC[C@H](CSc3c1)O2 ZINC000001072703 493783635 /nfs/dbraw/zinc/78/36/35/493783635.db2.gz HQFIYKYESWWZQR-SJKOYZFVSA-N 0 0 355.375 3.453 40 5 FGBBRN O=C(COC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc(C(F)(F)F)c1 ZINC000001935079 493800641 /nfs/dbraw/zinc/80/06/41/493800641.db2.gz ARMLXQVRQBEGTR-UHFFFAOYSA-N 0 0 368.267 3.409 40 5 FGBBRN Cc1ccc(F)cc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000003513897 493850677 /nfs/dbraw/zinc/85/06/77/493850677.db2.gz DQHBOWAFEQRCMK-UHFFFAOYSA-N 0 0 366.732 3.491 40 5 FGBBRN Cc1cccc(CSCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000006207105 493955486 /nfs/dbraw/zinc/95/54/86/493955486.db2.gz ZHAZQYPBOBVEFV-UHFFFAOYSA-N 0 0 366.464 3.115 40 5 FGBBRN Cc1ccc(NC(=O)COC(=O)CCC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000008433607 494090745 /nfs/dbraw/zinc/09/07/45/494090745.db2.gz GXYKRYNFKILORW-UHFFFAOYSA-N 0 0 370.361 3.048 40 5 FGBBRN Cc1cc(C(=O)NCC2(c3ccccc3)CCOCC2)ccc1[N+](=O)[O-] ZINC000016968844 494404578 /nfs/dbraw/zinc/40/45/78/494404578.db2.gz NONBFNMEGNOVRS-UHFFFAOYSA-N 0 0 354.406 3.381 40 5 FGBBRN O=C(/C=C/c1ccccc1)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000020410832 494472678 /nfs/dbraw/zinc/47/26/78/494472678.db2.gz VNLKRHCFYNOIHW-RMKNXTFCSA-N 0 0 353.378 3.083 40 5 FGBBRN CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225027837 497055225 /nfs/dbraw/zinc/05/52/25/497055225.db2.gz NEMJFMCRFWTBCJ-UHFFFAOYSA-N 0 0 370.814 3.472 40 5 FGBBRN Cc1cc(C)cc(OC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000408659303 499593672 /nfs/dbraw/zinc/59/36/72/499593672.db2.gz KPVRWPPCLYTISL-HNNXBMFYSA-N 0 0 368.389 3.479 40 5 FGBBRN O=C(NC[C@H]1CCCO1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408923322 499595529 /nfs/dbraw/zinc/59/55/29/499595529.db2.gz VVZHSRJMPHGWPM-UIMCMNAESA-N 0 0 352.390 3.431 40 5 FGBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCSC2CCCCC2)c1 ZINC000020039113 527387834 /nfs/dbraw/zinc/38/78/34/527387834.db2.gz UNXKXGYXDHUYGM-UHFFFAOYSA-N 0 0 358.485 3.080 40 5 FGBBRN O=C(CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCC(F)(F)C(F)F ZINC000002684864 204051862 /nfs/dbraw/zinc/05/18/62/204051862.db2.gz JDDHQLMDFGBQKT-UHFFFAOYSA-N 0 0 372.252 3.039 40 5 FGBBRN CC(C)=C1[C@@H]2C=C[C@H]1[C@@H]1C(=O)N(c3cc(C)c(C)cc3[N+](=O)[O-])C(=O)[C@H]21 ZINC000004550546 204145825 /nfs/dbraw/zinc/14/58/25/204145825.db2.gz YFAFYCQLEMIPJQ-VUWOVVPOSA-N 0 0 352.390 3.469 40 5 FGBBRN CCOc1ccc(Nc2nc(-n3ccnc3C)nc(C)c2[N+](=O)[O-])cc1 ZINC000005386261 204206571 /nfs/dbraw/zinc/20/65/71/204206571.db2.gz IVFRVDRHORYQOG-UHFFFAOYSA-N 0 0 354.370 3.330 40 5 FGBBRN CC[C@H](NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000008518262 204333837 /nfs/dbraw/zinc/33/38/37/204333837.db2.gz MIZYLFFOYLMPMG-INIZCTEOSA-N 0 0 364.423 3.341 40 5 FGBBRN CCC(=O)n1cnc2c1SC(c1cccc([N+](=O)[O-])c1)=NN2C(=O)CC ZINC000016807284 204643050 /nfs/dbraw/zinc/64/30/50/204643050.db2.gz KAHDVGPNFDYZJU-UHFFFAOYSA-N 0 0 373.394 3.052 40 5 FGBBRN CCOc1ccccc1CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000055268838 205213305 /nfs/dbraw/zinc/21/33/05/205213305.db2.gz RTHGRUNMKCPFQJ-UHFFFAOYSA-N 0 0 364.423 3.123 40 5 FGBBRN O=C(NCCCN1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1Cl ZINC000013670988 206305135 /nfs/dbraw/zinc/30/51/35/206305135.db2.gz VBUUGFFFXAETQW-UHFFFAOYSA-N 0 0 359.813 3.431 40 5 FGBBRN CN1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2Cl)CC1 ZINC000068933184 493897011 /nfs/dbraw/zinc/89/70/11/493897011.db2.gz BVQJDRINAOBTTD-UHFFFAOYSA-N 0 0 374.828 3.252 40 5 FGBBRN CCCCOC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnc(CC)[nH]1 ZINC000070462436 494044533 /nfs/dbraw/zinc/04/45/33/494044533.db2.gz YKHPXAFOTNIOQT-UHFFFAOYSA-N 0 0 350.400 3.383 40 5 FGBBRN C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000007882183 494049467 /nfs/dbraw/zinc/04/94/67/494049467.db2.gz NVGTXMBTGZHATJ-DZGCQCFKSA-N 0 0 353.378 3.143 40 5 FGBBRN Cc1cccc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c1C ZINC000007929163 494054169 /nfs/dbraw/zinc/05/41/69/494054169.db2.gz QJYQSKZDKFXRPQ-CQSZACIVSA-N 0 0 354.362 3.170 40 5 FGBBRN O=c1c2ccccc2ncn1CCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000012360127 494226985 /nfs/dbraw/zinc/22/69/85/494226985.db2.gz PETLWHCZFZSFSX-UHFFFAOYSA-N 0 0 358.785 3.460 40 5 FGBBRN Cc1nc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)nc2c1C(=O)C[C@@H](C)C2 ZINC000013636154 494291742 /nfs/dbraw/zinc/29/17/42/494291742.db2.gz VEJRDNBAJDMKAS-QMMMGPOBSA-N 0 0 374.784 3.364 40 5 FGBBRN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1Cl ZINC000014399435 494317131 /nfs/dbraw/zinc/31/71/31/494317131.db2.gz UMSSFCGDUXDGJS-UHFFFAOYSA-N 0 0 356.787 3.366 40 5 FGBBRN COc1ccccc1OCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000015381197 494351232 /nfs/dbraw/zinc/35/12/32/494351232.db2.gz DCECNDFGDHQYCC-UHFFFAOYSA-N 0 0 350.758 3.066 40 5 FGBBRN O=C(NCc1ccc(-n2ccnc2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000020459462 494473784 /nfs/dbraw/zinc/47/37/84/494473784.db2.gz OFSNNNWXFIDGGP-UHFFFAOYSA-N 0 0 356.769 3.364 40 5 FGBBRN CCc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1 ZINC000020611676 494478264 /nfs/dbraw/zinc/47/82/64/494478264.db2.gz NSEXOEUSOQHXIX-UHFFFAOYSA-N 0 0 355.394 3.246 40 5 FGBBRN Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1[N+](=O)[O-] ZINC000223184645 497033376 /nfs/dbraw/zinc/03/33/76/497033376.db2.gz BTGNZGNHNLXLSP-CYBMUJFWSA-N 0 0 360.435 3.431 40 5 FGBBRN Cc1ccc(S(=O)(=O)Nc2cccc(OC(C)C)c2)cc1[N+](=O)[O-] ZINC000223644050 497041143 /nfs/dbraw/zinc/04/11/43/497041143.db2.gz XYWVDUXGRJSYEU-UHFFFAOYSA-N 0 0 350.396 3.491 40 5 FGBBRN CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224713725 497051679 /nfs/dbraw/zinc/05/16/79/497051679.db2.gz MSDPQSOSXHTIHU-UHFFFAOYSA-N 0 0 370.814 3.472 40 5 FGBBRN CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225009197 497055554 /nfs/dbraw/zinc/05/55/54/497055554.db2.gz FMGUOLYJNNUCCW-UHFFFAOYSA-N 0 0 365.367 3.027 40 5 FGBBRN COC(=O)C1=CO[C@@H](C)[C@H]2C[N@+]3([O-])CCc4c5ccccc5[nH]c4[C@@H]3C[C@H]12 ZINC000263615778 497803691 /nfs/dbraw/zinc/80/36/91/497803691.db2.gz FEPWCBNZAPJQDK-DCOAGAMNSA-N 0 0 368.433 3.191 40 5 FGBBRN COc1ccc(Nc2cc(Cl)nc(-c3ccncc3)n2)c([N+](=O)[O-])c1 ZINC000328977134 499003582 /nfs/dbraw/zinc/00/35/82/499003582.db2.gz FRMGFGXBOGXUDP-UHFFFAOYSA-N 0 0 357.757 3.274 40 5 FGBBRN COc1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000408627164 499593310 /nfs/dbraw/zinc/59/33/10/499593310.db2.gz KWAVFZGDOPNXJN-UHFFFAOYSA-N 0 0 371.374 3.476 40 5 FGBBRN COc1ccc(OC)c(NC(=O)CSCc2cccc([N+](=O)[O-])c2)c1 ZINC000408723782 499594564 /nfs/dbraw/zinc/59/45/64/499594564.db2.gz LXEPPNQJBHCGBP-UHFFFAOYSA-N 0 0 362.407 3.484 40 5 FGBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCSCc1ccco1 ZINC000408925058 499595488 /nfs/dbraw/zinc/59/54/88/499595488.db2.gz SQTKVTWHWNZFNM-UHFFFAOYSA-N 0 0 366.464 3.471 40 5 FGBBRN COc1ccc(/C=C/C(=O)Nc2nnc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000020496236 523396803 /nfs/dbraw/zinc/39/68/03/523396803.db2.gz LDNFBTCUQTZEIP-DHZHZOJOSA-N 0 0 366.333 3.305 40 5 FGBBRN COc1cccc(-c2nnsc2C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000225766980 209833951 /nfs/dbraw/zinc/83/39/51/209833951.db2.gz SXHLDIYJRJOZRO-UHFFFAOYSA-N 0 0 356.363 3.374 40 5 FGBBRN CN(c1ccccc1Br)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225024546 209796938 /nfs/dbraw/zinc/79/69/38/209796938.db2.gz IUTJWYUGYKHXBJ-UHFFFAOYSA-N 0 0 371.212 3.182 40 5 FGBBRN CC[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000218161457 209662420 /nfs/dbraw/zinc/66/24/20/209662420.db2.gz ZZCUJXNJGRSGHA-HNNXBMFYSA-N 0 0 358.394 3.422 40 5 FGBBRN CCCc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1cccc(OC)c1 ZINC000000930725 209383161 /nfs/dbraw/zinc/38/31/61/209383161.db2.gz XQVMNCRWPVIKTQ-UHFFFAOYSA-N 0 0 353.378 3.314 40 5 FGBBRN CC(C)CC1=C[C@](O)(C(F)(F)F)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)N1 ZINC000000910605 209381789 /nfs/dbraw/zinc/38/17/89/209381789.db2.gz ICMLROSKXLTSQL-HNNXBMFYSA-N 0 0 373.331 3.023 40 5 FGBBRN Cc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000101280061 209222699 /nfs/dbraw/zinc/22/26/99/209222699.db2.gz HPVFIKJVVSHASK-UHFFFAOYSA-N 0 0 360.282 3.280 40 5 FGBBRN O=C1NC(=O)c2c1c1c3ccc(O)cc3[nH]c1c1[nH]c3cc(O)ccc3c12 ZINC000014855753 220134245 /nfs/dbraw/zinc/13/42/45/220134245.db2.gz COUUDSNRXUXNDW-UHFFFAOYSA-N 0 0 357.325 3.250 40 5 FGBBRN COc1ccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1[N+](=O)[O-] ZINC000005841919 207118477 /nfs/dbraw/zinc/11/84/77/207118477.db2.gz GHUUDUOODJYGMM-UHFFFAOYSA-N 0 0 357.366 3.450 40 5 FGBBRN COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(C)cc1C ZINC000006714728 207155861 /nfs/dbraw/zinc/15/58/61/207155861.db2.gz WQZDJEZVJFGERK-UHFFFAOYSA-N 0 0 359.407 3.347 40 5 FGBBRN O=[N+]([O-])c1ccc2nc(-c3ccc4c(c3)OCO4)c(Br)n2c1 ZINC000006740846 207158896 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O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000006152916 493953095 /nfs/dbraw/zinc/95/30/95/493953095.db2.gz CESCSNHHFDRLKZ-UHFFFAOYSA-N 0 0 361.785 3.337 40 5 FGBBRN Cc1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000007882171 494049545 /nfs/dbraw/zinc/04/95/45/494049545.db2.gz JIVNFOMRBVEVQZ-GOEBONIOSA-N 0 0 367.405 3.451 40 5 FGBBRN COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1Cl ZINC000066014134 494267706 /nfs/dbraw/zinc/26/77/06/494267706.db2.gz LGQYGSXHNVNTBJ-UHFFFAOYSA-N 0 0 366.757 3.283 40 5 FGBBRN COc1cc(OCC(=O)Nc2ccc(F)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000066013793 494267710 /nfs/dbraw/zinc/26/77/10/494267710.db2.gz ZBMLPFGCKLUEMR-UHFFFAOYSA-N 0 0 354.721 3.413 40 5 FGBBRN CC1(C)C[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2O1 ZINC000013669148 494292667 /nfs/dbraw/zinc/29/26/67/494292667.db2.gz HUEHGRUZBXOYPR-ZDUSSCGKSA-N 0 0 362.407 3.176 40 5 FGBBRN Cc1c(NC(=O)c2cn3c4c(cccc4c2=O)CCC3)cccc1[N+](=O)[O-] ZINC000022235490 494517867 /nfs/dbraw/zinc/51/78/67/494517867.db2.gz SWGTVEXJMMQJKQ-UHFFFAOYSA-N 0 0 363.373 3.417 40 5 FGBBRN Cc1cc([N+](=O)[O-])ccc1-n1ccc2c(cnc3nc4ccccc4n32)c1=O ZINC000022607845 494528382 /nfs/dbraw/zinc/52/83/82/494528382.db2.gz CYQKJNPKVCLABJ-UHFFFAOYSA-N 0 0 371.356 3.403 40 5 FGBBRN CC[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C12CC3CC(CC(C3)C1)C2 ZINC000026531277 494830852 /nfs/dbraw/zinc/83/08/52/494830852.db2.gz SZBRVQRLPNCLOT-MUGCCGGLSA-N 0 0 360.458 3.293 40 5 FGBBRN COc1cc(C)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000225499002 497065299 /nfs/dbraw/zinc/06/52/99/497065299.db2.gz KMHUUYAKPNGYDS-UHFFFAOYSA-N 0 0 350.396 3.329 40 5 FGBBRN COc1cc(NC(=O)Cn2cc(C=O)c3ccccc32)ccc1[N+](=O)[O-] ZINC000408550142 499592180 /nfs/dbraw/zinc/59/21/80/499592180.db2.gz AEDPWBPPBKKQOL-UHFFFAOYSA-N 0 0 353.334 3.009 40 5 FGBBRN CC(C)c1ccc(CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000020482855 519835739 /nfs/dbraw/zinc/83/57/39/519835739.db2.gz BKWDWYYMNIITDH-UHFFFAOYSA-N 0 0 362.451 3.380 40 5 FGBBRN O=Cc1ccc(Sc2n[nH]c(COc3ccccc3F)n2)c([N+](=O)[O-])c1 ZINC000409384839 570588084 /nfs/dbraw/zinc/58/80/84/570588084.db2.gz FFFOGOYTISZBJZ-UHFFFAOYSA-N 0 0 374.353 3.395 40 5 FGBBRN COc1ccc([N+](=O)[O-])cc1/C=C1/NC(=O)N(Cc2cccc(C)c2)C1=O ZINC000409238643 570743138 /nfs/dbraw/zinc/74/31/38/570743138.db2.gz KQWJMRASYVJSPM-MHWRWJLKSA-N 0 0 367.361 3.005 40 5 FGBBRN COc1c(C)cccc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000013632907 209582982 /nfs/dbraw/zinc/58/29/82/209582982.db2.gz PLJKVOULSPSZGD-UHFFFAOYSA-N 0 0 363.801 3.407 40 5 FGBBRN O=[N+]([O-])c1cccc([C@H]2Oc3nc4cc([N+](=O)[O-])ccc4nc3C2O)c1 ZINC000104097542 209258100 /nfs/dbraw/zinc/25/81/00/209258100.db2.gz NUTBSPVKUAEZGT-OAHLLOKOSA-N 0 0 354.278 3.500 40 5 FGBBRN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)oc2c1 ZINC000006478347 207142503 /nfs/dbraw/zinc/14/25/03/207142503.db2.gz GYRQTCDCELPIGI-UHFFFAOYSA-N 0 0 354.322 3.255 40 5 FGBBRN COc1ccc(NC(=S)NC(=O)c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000006546048 207144537 /nfs/dbraw/zinc/14/45/37/207144537.db2.gz DTHYXKSICOMGQJ-UHFFFAOYSA-N 0 0 359.407 3.347 40 5 FGBBRN CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 ZINC000008517738 207235187 /nfs/dbraw/zinc/23/51/87/207235187.db2.gz ATZBSZSNVRXPEJ-INIZCTEOSA-N 0 0 350.396 3.033 40 5 FGBBRN CC(C)CCn1ccc2nc3ccn(-c4ccncc4)c(=O)c3cc2c1=O ZINC000038828935 208206818 /nfs/dbraw/zinc/20/68/18/208206818.db2.gz WWQWVETVTJUVEX-UHFFFAOYSA-N 0 0 360.417 3.142 40 5 FGBBRN CC(C)Cn1ccc2nc3ccn(Cc4ccccc4)c(=O)c3cc2c1=O ZINC000040398749 208251379 /nfs/dbraw/zinc/25/13/79/208251379.db2.gz DGBXZINBRJSUMO-UHFFFAOYSA-N 0 0 359.429 3.416 40 5 FGBBRN COc1cc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000091365835 132201229 /nfs/dbraw/zinc/20/12/29/132201229.db2.gz NHLIZIJOYAOBNF-GFCCVEGCSA-N 0 0 351.403 3.049 40 5 FGBBRN CC1CCN(c2cc3sc(NC(N)=S)nc3cc2[N+](=O)[O-])CC1 ZINC000020154717 132894778 /nfs/dbraw/zinc/89/47/78/132894778.db2.gz ZAKAYVJHSSQKEV-UHFFFAOYSA-N 0 0 351.457 3.096 40 5 FGBBRN NC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCC2 ZINC000006330152 493960373 /nfs/dbraw/zinc/96/03/73/493960373.db2.gz YMDDXSKPMICYPW-UHFFFAOYSA-N 0 0 365.798 3.150 40 5 FGBBRN Cc1nnc(Sc2c(Cl)cc(C(=O)OC(C)C)cc2[N+](=O)[O-])[nH]1 ZINC000070462497 494044777 /nfs/dbraw/zinc/04/47/77/494044777.db2.gz BEOBDUKEHXAICC-UHFFFAOYSA-N 0 0 356.791 3.391 40 5 FGBBRN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1C ZINC000007927953 494053401 /nfs/dbraw/zinc/05/34/01/494053401.db2.gz JLDCPLJMHDARNR-CQSZACIVSA-N 0 0 353.378 3.203 40 5 FGBBRN CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(OC)c(C)c1 ZINC000224921593 497054127 /nfs/dbraw/zinc/05/41/27/497054127.db2.gz PDYZLXKHKHNYLD-INIZCTEOSA-N 0 0 364.423 3.341 40 5 FGBBRN COc1ccc(-c2nnsc2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000225762774 497074659 /nfs/dbraw/zinc/07/46/59/497074659.db2.gz FQWURXMCYSICSO-UHFFFAOYSA-N 0 0 356.363 3.374 40 5 FGBBRN O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1cccc([N+](=O)[O-])c1 ZINC000225800569 497075828 /nfs/dbraw/zinc/07/58/28/497075828.db2.gz PLCMFTQPGXWIMC-UHFFFAOYSA-N 0 0 356.313 3.355 40 5 FGBBRN CC(C)Oc1ccc(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000194669321 497734586 /nfs/dbraw/zinc/73/45/86/497734586.db2.gz GAHPJMVSXLGAHA-UHFFFAOYSA-N 0 0 350.396 3.207 40 5 FGBBRN Cc1noc(/C=C/c2ccc(OCC(=O)N3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000408605595 499592743 /nfs/dbraw/zinc/59/27/43/499592743.db2.gz MLMGBIDTWAQXBB-JXMROGBWSA-N 0 0 371.393 3.453 40 5 FGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCSC1CCCCC1 ZINC000408705520 499593979 /nfs/dbraw/zinc/59/39/79/499593979.db2.gz HQSNBLPEBUTKFZ-UHFFFAOYSA-N 0 0 358.485 3.247 40 5 FGBBRN CCn1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)c2cc(C)ccc21 ZINC000408713111 499594345 /nfs/dbraw/zinc/59/43/45/499594345.db2.gz KQNPJSKCNJMAHP-UHFFFAOYSA-N 0 0 351.362 3.490 40 5 FGBBRN CC[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000020040408 522676773 /nfs/dbraw/zinc/67/67/73/522676773.db2.gz PKIOAHZETFBIBP-KRWDZBQOSA-N 0 0 364.423 3.174 40 5 FGBBRN Cc1ccc(OCCNC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000218049633 525420234 /nfs/dbraw/zinc/42/02/34/525420234.db2.gz PXGYFZSSSRGVBA-UHFFFAOYSA-N 0 0 360.435 3.332 40 5 FGBBRN CNc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2ccccc2)n1 ZINC000329030324 210130913 /nfs/dbraw/zinc/13/09/13/210130913.db2.gz QCRNUGUJUPBKPU-UHFFFAOYSA-N 0 0 355.785 3.334 40 5 FGBBRN CC(C)(C)c1ccc(S(=O)(=O)n2cnc3cc([N+](=O)[O-])ccc32)cc1 ZINC000041095990 211769699 /nfs/dbraw/zinc/76/96/99/211769699.db2.gz HCXROTGRLLKBQJ-UHFFFAOYSA-N 0 0 359.407 3.479 40 5 FGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(OC(C)C)cc1 ZINC000022516074 211352356 /nfs/dbraw/zinc/35/23/56/211352356.db2.gz JSYHPTAGJMLYRO-UHFFFAOYSA-N 0 0 364.423 3.169 40 5 FGBBRN C[C@@H]1CC(=O)c2cnc(NC(=O)c3cccc([N+](=O)[O-])c3Cl)nc2C1 ZINC000013635965 211044286 /nfs/dbraw/zinc/04/42/86/211044286.db2.gz WKOCCTWUMRYUAU-QMMMGPOBSA-N 0 0 360.757 3.056 40 5 FGBBRN O=C(Oc1ccccc1[N+](=O)[O-])[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000001584661 210359329 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Nc1nnc(-c2ccc(Nc3nc4ccccc4[nH]3)c([N+](=O)[O-])c2)s1 ZINC000008652567 494099097 /nfs/dbraw/zinc/09/90/97/494099097.db2.gz HWYROVGCLXDMLQ-UHFFFAOYSA-N 0 0 353.367 3.315 40 5 FGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(c2ccccc2C)C1 ZINC000021347247 494493307 /nfs/dbraw/zinc/49/33/07/494493307.db2.gz DIDILDDTGLOOSL-AWEZNQCLSA-N 0 0 353.378 3.203 40 5 FGBBRN COc1cccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000223433984 497037182 /nfs/dbraw/zinc/03/71/82/497037182.db2.gz NXZBCYNSMMEFAN-UHFFFAOYSA-N 0 0 350.758 3.066 40 5 FGBBRN Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)o2)cc1[N+](=O)[O-] ZINC000408583015 499592402 /nfs/dbraw/zinc/59/24/02/499592402.db2.gz QXIFSCORZULFHH-UHFFFAOYSA-N 0 0 360.351 3.277 40 5 FGBBRN COc1ccc(/C=C/c2nnc(N)o2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000216907074 523409441 /nfs/dbraw/zinc/40/94/41/523409441.db2.gz LASBECVLMGOCCY-WEVVVXLNSA-N 0 0 368.349 3.318 40 5 FGBBRN CN(Cc1nc(-c2ccccc2)no1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000217891555 523546851 /nfs/dbraw/zinc/54/68/51/523546851.db2.gz ORBMCQUOVFWNMR-ZHACJKMWSA-N 0 0 364.361 3.317 40 5 FGBBRN COc1ccccc1CN(C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000020491959 524430291 /nfs/dbraw/zinc/43/02/91/524430291.db2.gz CSMJGMNEYPGIBQ-UHFFFAOYSA-N 0 0 360.435 3.495 40 5 FGBBRN O=[N+]([O-])c1ccccc1CNc1cc(-c2ccccc2)nc(NC2CC2)n1 ZINC000329057795 210133124 /nfs/dbraw/zinc/13/31/24/210133124.db2.gz VZKPDBFDCOLXSO-UHFFFAOYSA-N 0 0 361.405 3.082 40 5 FGBBRN Cc1nn(Cc2ccc(C(=O)NCc3ccccc3)cc2)c(C)c1[N+](=O)[O-] ZINC000002755888 210075243 /nfs/dbraw/zinc/07/52/43/210075243.db2.gz ZFZXJUANZMDPDP-UHFFFAOYSA-N 0 0 364.405 3.386 40 5 FGBBRN COc1ccc(OC[C@@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000010542518 219906449 /nfs/dbraw/zinc/90/64/49/219906449.db2.gz XKURKGKZHZIDCG-LLVKDONJSA-N 0 0 364.785 3.454 40 5 FGBBRN COc1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)NC2=O)cc1 ZINC000016215900 211156377 /nfs/dbraw/zinc/15/63/77/211156377.db2.gz GVNICJLKFMJBBF-ZSOIEALJSA-N 0 0 357.753 3.174 40 5 FGBBRN 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O=C(CCC1OCCO1)Nc1cc([N+](=O)[O-])ccc1OCc1ccccc1 ZINC000001705719 210365634 /nfs/dbraw/zinc/36/56/34/210365634.db2.gz DDYUCJHFTXCGQN-UHFFFAOYSA-N 0 0 372.377 3.265 40 5 FGBBRN COc1cc(OCC(=O)NCc2ccc(OC(C)C)cc2)ccc1[N+](=O)[O-] ZINC000066020900 221238626 /nfs/dbraw/zinc/23/86/26/221238626.db2.gz NBMVRHQDLRBHKO-UHFFFAOYSA-N 0 0 374.393 3.086 40 5 FGBBRN Cc1nccn1-c1ccc(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000030753501 493905427 /nfs/dbraw/zinc/90/54/27/493905427.db2.gz ICIGLPSHDQKKGV-JXMROGBWSA-N 0 0 362.389 3.419 40 5 FGBBRN O=[N+]([O-])c1ccc2c(CSc3nnnn3Cc3ccccc3)c[nH]c2c1 ZINC000059489577 493907766 /nfs/dbraw/zinc/90/77/66/493907766.db2.gz TYZDTJDBETYCCE-UHFFFAOYSA-N 0 0 366.406 3.403 40 5 FGBBRN Cc1cc(C(=O)N(C)Cc2nc(-c3ccccc3)no2)ccc1[N+](=O)[O-] ZINC000007759553 494040527 /nfs/dbraw/zinc/04/05/27/494040527.db2.gz HBYUSAZJSFKTQG-UHFFFAOYSA-N 0 0 352.350 3.225 40 5 FGBBRN COc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1F ZINC000008041005 494062536 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COCCNC(=S)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000408977647 499595366 /nfs/dbraw/zinc/59/53/66/499595366.db2.gz XORYXYIJKXCIET-UHFFFAOYSA-N 0 0 351.435 3.197 40 5 FGBBRN CCCc1nnc(SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])n1CC ZINC000020033974 521571033 /nfs/dbraw/zinc/57/10/33/521571033.db2.gz WUYLALNXMNMWKJ-UHFFFAOYSA-N 0 0 363.443 3.198 40 5 FGBBRN Cc1ccccc1OCCNC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223407906 571120619 /nfs/dbraw/zinc/12/06/19/571120619.db2.gz BTJBWDRUMQCVQW-UHFFFAOYSA-N 0 0 360.435 3.332 40 5 FGBBRN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-] ZINC000014258176 210144578 /nfs/dbraw/zinc/14/45/78/210144578.db2.gz MDJHPTCRKOXZRH-UHFFFAOYSA-N 0 0 351.702 3.417 40 5 FGBBRN CC[C@H](C)Nc1nc(Nc2ccc(OC)cc2[N+](=O)[O-])cc(C2CC2)n1 ZINC000329019341 210131972 /nfs/dbraw/zinc/13/19/72/210131972.db2.gz NWHSSXMIGHDBMJ-NSHDSACASA-N 0 0 357.414 3.069 40 5 FGBBRN COc1c(O)ccc2c(=O)c3c(O)cc4c(c3n(C)c21)C=CC(C)(C)O4 ZINC000014927070 220136074 /nfs/dbraw/zinc/13/60/74/220136074.db2.gz DIDVBISMWJGFOF-UHFFFAOYSA-N 0 0 353.374 3.296 40 5 endogenous,in-man FGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cccc(C(F)(F)F)c1 ZINC000021821515 211327284 /nfs/dbraw/zinc/32/72/84/211327284.db2.gz OICZGDOOIWTNOH-UHFFFAOYSA-N 0 0 374.340 3.401 40 5 FGBBRN CCc1c(C)n(Cc2cccc([N+](=O)[O-])c2)c2nc3ccccc3n2c1=O ZINC000020798284 211298050 /nfs/dbraw/zinc/29/80/50/211298050.db2.gz NPJKFSCJXKIATK-UHFFFAOYSA-N 0 0 362.389 3.477 40 5 FGBBRN CC[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000020110424 211268120 /nfs/dbraw/zinc/26/81/20/211268120.db2.gz XRZVOLBQFWVOAT-AWEZNQCLSA-N 0 0 350.396 3.033 40 5 FGBBRN COc1ccccc1OCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000014869039 211102208 /nfs/dbraw/zinc/10/22/08/211102208.db2.gz DLCAKHMPAXOVSP-UHFFFAOYSA-N 0 0 350.758 3.066 40 5 FGBBRN COc1ccc(CCCNC(=O)c2cccc([N+](=O)[O-])c2C)cc1OC ZINC000065086458 221169047 /nfs/dbraw/zinc/16/90/47/221169047.db2.gz PHXHVJYCDQZJKM-UHFFFAOYSA-N 0 0 358.394 3.283 40 5 FGBBRN COc1cc(OCC(=O)N[C@@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000068751829 221318684 /nfs/dbraw/zinc/31/86/84/221318684.db2.gz JMSKFKDOLAWKKK-MRXNPFEDSA-N 0 0 356.378 3.176 40 5 FGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC=CC[C@H]1C(=O)N1CCCCC1 ZINC000004104003 493864993 /nfs/dbraw/zinc/86/49/93/493864993.db2.gz JJAXGSODXIZZKC-DLBZAZTESA-N 0 0 357.410 3.128 40 5 FGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC=CC[C@@H]1C(=O)N1CCCCC1 ZINC000004104000 493865225 /nfs/dbraw/zinc/86/52/25/493865225.db2.gz JJAXGSODXIZZKC-SJORKVTESA-N 0 0 357.410 3.128 40 5 FGBBRN CN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)CC1 ZINC000068933176 493897066 /nfs/dbraw/zinc/89/70/66/493897066.db2.gz JPHCWZATGQSEJQ-UHFFFAOYSA-N 0 0 374.828 3.252 40 5 FGBBRN Cc1ccc(NC(=O)CSc2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000005210348 493919678 /nfs/dbraw/zinc/91/96/78/493919678.db2.gz HNBRZSLXQVNPHX-UHFFFAOYSA-N 0 0 369.406 3.419 40 5 FGBBRN COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CC[N+]1(C)[O-] ZINC000006068288 493950708 /nfs/dbraw/zinc/95/07/08/493950708.db2.gz NBDQYITZRPEYEM-YXWRBFHGSA-N 0 0 357.406 3.183 40 5 biogenic,in-vitro FGBBRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000007077288 494000074 /nfs/dbraw/zinc/00/00/74/494000074.db2.gz RTLKNRHDKSFAKR-ZDUSSCGKSA-N 0 0 355.394 3.304 40 5 FGBBRN CC(C)Oc1cccc(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000038772023 494117612 /nfs/dbraw/zinc/11/76/12/494117612.db2.gz FFACEGMNGPOMHW-UHFFFAOYSA-N 0 0 364.423 3.002 40 5 FGBBRN CCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000020410771 494472012 /nfs/dbraw/zinc/47/20/12/494472012.db2.gz URPYJDNKOIKADA-UHFFFAOYSA-N 0 0 371.393 3.082 40 5 FGBBRN COc1cc(/C=C\[N+](=O)[O-])ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000206215515 496973724 /nfs/dbraw/zinc/97/37/24/496973724.db2.gz RQDDGEVWVSWWPL-YGKWUCAESA-N 0 0 370.317 3.470 40 5 FGBBRN Cc1cc(C)c2c(=O)ccn(CC(=O)Nc3cccc([N+](=O)[O-])c3)c2c1 ZINC000225756335 497073986 /nfs/dbraw/zinc/07/39/86/497073986.db2.gz UKCUEDRSHKBYIF-UHFFFAOYSA-N 0 0 351.362 3.165 40 5 FGBBRN Cc1ccc(NC(=O)CSc2nc3c(c(C)n2)CCC3)cc1[N+](=O)[O-] ZINC000408582496 499592515 /nfs/dbraw/zinc/59/25/15/499592515.db2.gz OKNNCZKCCJUSHE-UHFFFAOYSA-N 0 0 358.423 3.221 40 5 FGBBRN O=C(Sc1nnc(COc2ccccc2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000408623748 499593149 /nfs/dbraw/zinc/59/31/49/499593149.db2.gz RVCSXWFEWDOZHK-UHFFFAOYSA-N 0 0 357.347 3.489 40 5 FGBBRN Cc1ccc(N2C[C@@H](C(=O)Oc3c(C)cccc3C)CC2=O)cc1[N+](=O)[O-] ZINC000408657666 499593541 /nfs/dbraw/zinc/59/35/41/499593541.db2.gz ISNXXOANKJDMFK-HNNXBMFYSA-N 0 0 368.389 3.479 40 5 FGBBRN Cc1nc2ccccc2c2c(=O)[n-]c(SCc3ccc(Cl)cc3)n[n+]12 ZINC000588227633 506243270 /nfs/dbraw/zinc/24/32/70/506243270.db2.gz BJXYHYRAJVTHNY-UHFFFAOYSA-O 0 0 369.857 3.311 40 5 FGBBRN CC[C@@H](C)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(C(F)(F)F)n1 ZINC000329017975 210131736 /nfs/dbraw/zinc/13/17/36/210131736.db2.gz NOJSXBDRQSBHLC-SNVBAGLBSA-N 0 0 369.347 3.070 40 5 FGBBRN O=[N+]([O-])c1ccc(OCc2nc(-c3ccc(Br)o3)n[nH]2)cc1 ZINC000064873718 212048622 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COc1cc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000091365838 132201093 /nfs/dbraw/zinc/20/10/93/132201093.db2.gz JCAFRTSSLOQIQV-LBPRGKRZSA-N 0 0 351.403 3.049 40 5 FGBBRN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2ccccc2F)CC1 ZINC000005936683 132304532 /nfs/dbraw/zinc/30/45/32/132304532.db2.gz MDXJDLMNYUAKMS-UHFFFAOYSA-N 0 0 363.776 3.350 40 5 FGBBRN CS(=O)(=O)c1ccc([N+](=O)[O-])c(N2CCC(Cc3ccccc3)CC2)c1 ZINC000016808013 132883343 /nfs/dbraw/zinc/88/33/43/132883343.db2.gz XAKVOONFAXMPCR-UHFFFAOYSA-N 0 0 374.462 3.457 40 5 FGBBRN Cc1ccc2c(c1)c1nc3ccccc3nc1n2CCN1C(=O)CCC1=O ZINC000004744637 493890837 /nfs/dbraw/zinc/89/08/37/493890837.db2.gz ZPPKVBFQIZFMQP-UHFFFAOYSA-N 0 0 358.401 3.195 40 5 FGBBRN Cc1ccc2nsnc2c1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000059513572 493907659 /nfs/dbraw/zinc/90/76/59/493907659.db2.gz CCZAEHRTSBEVFA-UHFFFAOYSA-N 0 0 373.419 3.035 40 5 FGBBRN NC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CCCCC2 ZINC000006336238 493960071 /nfs/dbraw/zinc/96/00/71/493960071.db2.gz OFJAUPSCIMXEIZ-UHFFFAOYSA-N 0 0 359.407 3.276 40 5 FGBBRN Cc1c(C(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)cccc1[N+](=O)[O-] ZINC000006500394 493964952 /nfs/dbraw/zinc/96/49/52/493964952.db2.gz UIOZPTUGFOSTFO-UHFFFAOYSA-N 0 0 373.478 3.476 40 5 FGBBRN CCc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC000007928522 494053549 /nfs/dbraw/zinc/05/35/49/494053549.db2.gz VFTPIFUUYXMCLH-HNNXBMFYSA-N 0 0 367.405 3.457 40 5 FGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000038856395 494118747 /nfs/dbraw/zinc/11/87/47/494118747.db2.gz BHGMAFXQLZAOHL-UHFFFAOYSA-N 0 0 352.350 3.101 40 5 FGBBRN COc1ccc(C)cc1N(C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224777501 497052859 /nfs/dbraw/zinc/05/28/59/497052859.db2.gz QLVNGDKPDGYCCD-UHFFFAOYSA-N 0 0 350.396 3.045 40 5 FGBBRN CCN(c1cc(C)ccc1OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225003944 497055233 /nfs/dbraw/zinc/05/52/33/497055233.db2.gz NIMNJUPJISZVNF-UHFFFAOYSA-N 0 0 350.396 3.127 40 5 FGBBRN CN(c1ccc(Br)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000224998921 497055322 /nfs/dbraw/zinc/05/53/22/497055322.db2.gz XQRANOJDWPYLMI-UHFFFAOYSA-N 0 0 371.212 3.182 40 5 FGBBRN Cn1c(=O)sc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc21 ZINC000225022406 497055677 /nfs/dbraw/zinc/05/56/77/497055677.db2.gz FQJGWULCLUNSLA-UHFFFAOYSA-N 0 0 363.782 3.414 40 5 FGBBRN CCOC(=O)Cc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000225990024 497080227 /nfs/dbraw/zinc/08/02/27/497080227.db2.gz IYIDTQMRDXNFNB-UHFFFAOYSA-N 0 0 368.389 3.371 40 5 FGBBRN O=Cc1ccc(Sc2nnc3c4ccccc4[nH]c3n2)c([N+](=O)[O-])c1 ZINC000408554904 499592131 /nfs/dbraw/zinc/59/21/31/499592131.db2.gz GDTSGGOIRUZUCZ-UHFFFAOYSA-N 0 0 351.347 3.378 40 5 FGBBRN S=C(Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4)NC1CC1 ZINC000408992684 499595505 /nfs/dbraw/zinc/59/55/05/499595505.db2.gz AWSIWGIZHSOCBM-UHFFFAOYSA-N 0 0 352.419 3.003 40 5 FGBBRN Cc1cccc(-c2noc(CNC(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000217890513 524132586 /nfs/dbraw/zinc/13/25/86/524132586.db2.gz RMWRZKDXVOTGRC-CMDGGOBGSA-N 0 0 364.361 3.283 40 5 FGBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCCc2ccccc2Cl)c1 ZINC000020453880 527387595 /nfs/dbraw/zinc/38/75/95/527387595.db2.gz KRFZPWPBJNFZCW-UHFFFAOYSA-N 0 0 368.842 3.300 40 5 FGBBRN COCCN1C(=O)S/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409140483 570582380 /nfs/dbraw/zinc/58/23/80/570582380.db2.gz DYOYGCZSXGDZQH-RVDMUPIBSA-N 0 0 373.390 3.068 40 5 FGBBRN CC(C)Oc1ccc(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000192256038 222620687 /nfs/dbraw/zinc/62/06/87/222620687.db2.gz ARBOHWMYWAJKMW-UHFFFAOYSA-N 0 0 350.396 3.207 40 5 FGBBRN CCOC(=O)c1cccc([N+](=O)[O-])c1C(=O)Nc1cc(Cl)ccc1O ZINC000001054265 219359766 /nfs/dbraw/zinc/35/97/66/219359766.db2.gz RUAAKGYQCUMHBX-UHFFFAOYSA-N 0 0 364.741 3.383 40 5 FGBBRN O=[N+]([O-])c1cc2c(cc1[C@H](O)c1cccc(Br)c1)OCCO2 ZINC000004290845 219561758 /nfs/dbraw/zinc/56/17/58/219561758.db2.gz AKRHQTFTWJJTLD-OAHLLOKOSA-N 0 0 366.167 3.210 40 5 FGBBRN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCOc1ccc2ccccc2c1 ZINC000015362099 220152909 /nfs/dbraw/zinc/15/29/09/220152909.db2.gz DLIKOHZLUIABMH-UHFFFAOYSA-N 0 0 372.402 3.105 40 5 FGBBRN O=[N+]([O-])c1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000104098108 222349685 /nfs/dbraw/zinc/34/96/85/222349685.db2.gz FGYXHKVHFINDSD-UHFFFAOYSA-N 0 0 350.199 3.112 40 5 FGBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccco2)n1C ZINC000005861955 263343603 /nfs/dbraw/zinc/34/36/03/263343603.db2.gz ILFYIAGPFYWLIA-UHFFFAOYSA-N 0 0 373.394 3.023 40 5 FGBBRN CC1(C)C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000010544171 263366217 /nfs/dbraw/zinc/36/62/17/263366217.db2.gz ZTQWJJIQBBFICN-OAHLLOKOSA-N 0 0 362.407 3.176 40 5 FGBBRN O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1ccccc1[N+](=O)[O-] ZINC000020529023 263381765 /nfs/dbraw/zinc/38/17/65/263381765.db2.gz LKECXCPEEIVMSK-UHFFFAOYSA-N 0 0 366.362 3.013 40 5 FGBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSCC(=O)Nc1ccccc1 ZINC000059267961 263418148 /nfs/dbraw/zinc/41/81/48/263418148.db2.gz JXZUKIHMFMJURL-UHFFFAOYSA-N 0 0 359.407 3.214 40 5 FGBBRN CCN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O ZINC000409248925 263546682 /nfs/dbraw/zinc/54/66/82/263546682.db2.gz LUNZLDLFXWWSFE-GZTJUZNOSA-N 0 0 367.361 3.086 40 5 FGBBRN COc1ccc(Cl)cc1NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000003506700 493850627 /nfs/dbraw/zinc/85/06/27/493850627.db2.gz JOAUOYIEIHUTHK-UHFFFAOYSA-N 0 0 364.741 3.052 40 5 FGBBRN Cc1ccc(NC(=O)CSc2n[nH]c(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000003550505 493853543 /nfs/dbraw/zinc/85/35/43/493853543.db2.gz OLFFCXTYMGIJET-UHFFFAOYSA-N 0 0 369.406 3.419 40 5 FGBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cccnc2)o1 ZINC000004977242 493904961 /nfs/dbraw/zinc/90/49/61/493904961.db2.gz OXKZBRQNHYKYFU-UHFFFAOYSA-N 0 0 371.378 3.079 40 5 FGBBRN Cn1c(=O)nc2n(-c3cccc4ccccc43)c3ccccc3cc-2c1=O ZINC000059497803 493907433 /nfs/dbraw/zinc/90/74/33/493907433.db2.gz ICBFFSNXSMUIKT-UHFFFAOYSA-N 0 0 353.381 3.342 40 5 FGBBRN O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000006548381 493966923 /nfs/dbraw/zinc/96/69/23/493966923.db2.gz DIIPGUFWHNWYQA-UHFFFAOYSA-N 0 0 356.338 3.356 40 5 FGBBRN CCOc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC ZINC000007361083 494017871 /nfs/dbraw/zinc/01/78/71/494017871.db2.gz GCJBWKYGKKEQSX-UHFFFAOYSA-N 0 0 366.395 3.193 40 5 FGBBRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2=O)c(C)c1 ZINC000007928074 494053186 /nfs/dbraw/zinc/05/31/86/494053186.db2.gz QQMQWHQLJMYNFK-AWEZNQCLSA-N 0 0 353.378 3.203 40 5 FGBBRN CCc1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000007929168 494054200 /nfs/dbraw/zinc/05/42/00/494054200.db2.gz JMKNKRABBAENFM-AWEZNQCLSA-N 0 0 354.362 3.116 40 5 FGBBRN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000015592519 494361713 /nfs/dbraw/zinc/36/17/13/494361713.db2.gz HTIVSEJRSHJJFK-UHFFFAOYSA-N 0 0 374.328 3.495 40 5 FGBBRN O=C(c1cccc(F)c1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000018042728 494421845 /nfs/dbraw/zinc/42/18/45/494421845.db2.gz PHORKHPNHDEXFH-UHFFFAOYSA-N 0 0 363.776 3.350 40 5 FGBBRN Cc1cc(C)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)c1 ZINC000020611674 494477949 /nfs/dbraw/zinc/47/79/49/494477949.db2.gz XUXVBFCKMVKBIJ-UHFFFAOYSA-N 0 0 355.394 3.301 40 5 FGBBRN O=C(Nc1ccccc1Cl)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408648355 499593651 /nfs/dbraw/zinc/59/36/51/499593651.db2.gz XXISFPPZEFIOOK-NSHDSACASA-N 0 0 359.769 3.240 40 5 FGBBRN COc1ccc(Nc2cc(Cl)nc(-c3cccnc3)n2)c([N+](=O)[O-])c1 ZINC000329069944 534025128 /nfs/dbraw/zinc/02/51/28/534025128.db2.gz ZBOAEODFXKEVJL-UHFFFAOYSA-N 0 0 357.757 3.274 40 5 FGBBRN COc1ccc(CN(C)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1OC ZINC000020459965 523992322 /nfs/dbraw/zinc/99/23/22/523992322.db2.gz WUSKNZFPEOCHSB-CSKARUKUSA-N 0 0 356.378 3.284 40 5 FGBBRN Cc1c(C(=O)NCCCN2CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000217878886 525609262 /nfs/dbraw/zinc/60/92/62/525609262.db2.gz INESTERWNVRPNF-UHFFFAOYSA-N 0 0 353.422 3.476 40 5 FGBBRN COc1cc(N2CCC(N(C)C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000091355793 536824611 /nfs/dbraw/zinc/82/46/11/536824611.db2.gz WJGXUQWOEIKACI-UHFFFAOYSA-N 0 0 365.430 3.439 40 5 FGBBRN COc1cc(OCC(=O)N[C@@H](C)c2ccc(C)cc2C)ccc1[N+](=O)[O-] ZINC000219826487 568306324 /nfs/dbraw/zinc/30/63/24/568306324.db2.gz NXEGKKQGGKODOL-AWEZNQCLSA-N 0 0 358.394 3.476 40 5 FGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2ccccc2c(=O)[nH]1 ZINC000409174702 570735505 /nfs/dbraw/zinc/73/55/05/570735505.db2.gz UFZPAUAQVLLFQT-UHFFFAOYSA-N 0 0 370.390 3.283 40 5 FGBBRN Cc1ccc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc1[N+](=O)[O-] ZINC000409392724 570755926 /nfs/dbraw/zinc/75/59/26/570755926.db2.gz NGUANHZADSRYTD-MFOYZWKCSA-N 0 0 365.414 3.290 40 5 FGBBRN CC(C)=C1[C@@H]2C=C[C@H]1[C@@H]1C(=O)N(c3cc(C)c(C)cc3[N+](=O)[O-])C(=O)[C@@H]21 ZINC000004550547 219585216 /nfs/dbraw/zinc/58/52/16/219585216.db2.gz YFAFYCQLEMIPJQ-GGNLRSJOSA-N 0 0 352.390 3.469 40 5 FGBBRN Cc1c(Nc2cc(C(F)(F)F)nc(NC(C)C)n2)cccc1[N+](=O)[O-] ZINC000329058463 223130640 /nfs/dbraw/zinc/13/06/40/223130640.db2.gz WCZPBASOXZPMOU-UHFFFAOYSA-N 0 0 355.320 3.120 40 5 FGBBRN CC[C@H](Sc1ncnc2[nH]cnc21)C(=O)Nc1cc(C)ccc1[N+](=O)[O-] ZINC000013572017 220075767 /nfs/dbraw/zinc/07/57/67/220075767.db2.gz ATIFHVWKPXZMIB-LBPRGKRZSA-N 0 0 372.410 3.079 40 5 FGBBRN COc1c(C)cccc1C(=O)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 ZINC000020611748 132897750 /nfs/dbraw/zinc/89/77/50/132897750.db2.gz TXWRCCNLPJBWCA-UHFFFAOYSA-N 0 0 371.393 3.001 40 5 FGBBRN Cc1ccc2nsnc2c1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000059513570 263421067 /nfs/dbraw/zinc/42/10/67/263421067.db2.gz QOKKKBVVDQITOZ-UHFFFAOYSA-N 0 0 373.419 3.035 40 5 FGBBRN CCOc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000057651848 493783197 /nfs/dbraw/zinc/78/31/97/493783197.db2.gz AOMIABQGDGLLJR-UHFFFAOYSA-N 0 0 359.334 3.042 40 5 FGBBRN O=C(c1ccc2ccccc2n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000005660893 493939610 /nfs/dbraw/zinc/93/96/10/493939610.db2.gz PCGOTGZZASOWIN-UHFFFAOYSA-N 0 0 362.389 3.105 40 5 FGBBRN 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40 5 FGBBRN COc1cc(/C=C(/C)[N+](=O)[O-])ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000006157480 493953170 /nfs/dbraw/zinc/95/31/70/493953170.db2.gz ZAHHGECFNYXYHS-XFFZJAGNSA-N 0 0 357.318 3.281 40 5 FGBBRN O=[N+]([O-])c1cc(Br)ccc1N1CCN(c2ccccn2)CC1 ZINC000007270146 494012195 /nfs/dbraw/zinc/01/21/95/494012195.db2.gz FDTWLIPBMJQKIJ-UHFFFAOYSA-N 0 0 363.215 3.079 40 5 FGBBRN C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000007882186 494049311 /nfs/dbraw/zinc/04/93/11/494049311.db2.gz NVGTXMBTGZHATJ-HIFRSBDPSA-N 0 0 353.378 3.143 40 5 FGBBRN Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c(C)c1 ZINC000007882618 494049331 /nfs/dbraw/zinc/04/93/31/494049331.db2.gz PCTBJKQZVCLGDV-AWEZNQCLSA-N 0 0 353.378 3.203 40 5 FGBBRN COc1ccc(C(=O)Nc2nc3c(cc([N+](=O)[O-])cc3OC)s2)cc1 ZINC000010010555 494139527 /nfs/dbraw/zinc/13/95/27/494139527.db2.gz HQPFVTLOORUUPY-UHFFFAOYSA-N 0 0 359.363 3.474 40 5 FGBBRN Cc1cccc(N2C[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)c1C ZINC000014206925 494311260 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Cc1ccc(NC(=O)CSc2nnc(-c3ccccn3)o2)cc1[N+](=O)[O-] ZINC000408583495 499592422 /nfs/dbraw/zinc/59/24/22/499592422.db2.gz VAUUMGCATBDCPP-UHFFFAOYSA-N 0 0 371.378 3.079 40 5 FGBBRN COc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1 ZINC000002468558 536662968 /nfs/dbraw/zinc/66/29/68/536662968.db2.gz LFSWMEWPTYWTET-YJBOKZPZSA-N 0 0 355.350 3.373 40 5 FGBBRN CC(C)NC(=S)Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4 ZINC000408997952 570710132 /nfs/dbraw/zinc/71/01/32/570710132.db2.gz PEVBQUDWJYBJQS-UHFFFAOYSA-N 0 0 354.435 3.249 40 5 FGBBRN