smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)Nc1ccc(Nc2nc(C)c([N+](=O)[O-])c(Nc3ccc(NC(C)=O)cc3)n2)cc1 ZINC000006177607 193888298 /nfs/dbraw/zinc/88/82/98/193888298.db2.gz WJGRKDJAVLBEJA-UHFFFAOYSA-N 0 0 435.444 4.097 40 5 IIBBRN CC[C@H](C)N(Cc1nc(-c2cccc(C)c2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000022257250 523944391 /nfs/dbraw/zinc/94/43/91/523944391.db2.gz ZFTWHZJPKKGPMM-KRWDZBQOSA-N 0 0 438.484 4.468 40 5 IIBBRN O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000020611559 527228464 /nfs/dbraw/zinc/22/84/64/527228464.db2.gz ZPUIBVBGFFWDRB-UHFFFAOYSA-N 0 0 440.681 4.100 40 5 IIBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O ZINC000009449159 556292453 /nfs/dbraw/zinc/29/24/53/556292453.db2.gz ZAEFAAKYQHDFTI-UHFFFAOYSA-N 0 0 436.807 4.406 40 5 IIBBRN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccccc2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408684220 556617250 /nfs/dbraw/zinc/61/72/50/556617250.db2.gz NBBJRBANMYRDGJ-JOCHJYFZSA-N 0 0 437.473 4.201 40 5 IIBBRN O=C(CSCc1cccc([N+](=O)[O-])c1)Nc1ccc(I)cc1 ZINC000408723883 556618178 /nfs/dbraw/zinc/61/81/78/556618178.db2.gz YFLNFQCDDVIOGH-UHFFFAOYSA-N 0 0 428.251 4.071 40 5 IIBBRN COC(=O)C1=C(NC(=O)Nc2ccc([N+](=O)[O-])cc2)OC(C)(C)[C@H]1c1ccc(Cl)cc1 ZINC000005052945 556627708 /nfs/dbraw/zinc/62/77/08/556627708.db2.gz APEJWPBLLUHSIY-KRWDZBQOSA-N 0 0 445.859 4.347 40 5 IIBBRN CCc1ccc(N2C(=O)c3ccc(C(=O)OCc4ccccc4[N+](=O)[O-])cc3C2=O)cc1 ZINC000409177212 556632868 /nfs/dbraw/zinc/63/28/68/556632868.db2.gz DNSVXFCQQCFUQZ-UHFFFAOYSA-N 0 0 430.416 4.315 40 5 IIBBRN O=C(CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409224162 556635516 /nfs/dbraw/zinc/63/55/16/556635516.db2.gz LARCBLNOUNPXCC-VIZOYTHASA-N 0 0 435.820 4.062 40 5 IIBBRN CC(C)Oc1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409351629 556638207 /nfs/dbraw/zinc/63/82/07/556638207.db2.gz XWYHVEHAJFJAIB-ODLFYWEKSA-N 0 0 426.450 4.301 40 5 IIBBRN CCn1c(COc2ccc(Cl)cc2)nnc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409384418 556638986 /nfs/dbraw/zinc/63/89/86/556638986.db2.gz BBRWPBKTPPYZDQ-UHFFFAOYSA-N 0 0 435.849 4.498 40 5 IIBBRN O=c1c2cc3c(ccn(-c4cc(Cl)cc(Cl)c4)c3=O)nc2ccn1C[C@@H]1CCCO1 ZINC000040398719 556640662 /nfs/dbraw/zinc/64/06/62/556640662.db2.gz LNYWOCUAGZIZHW-INIZCTEOSA-N 0 0 442.302 4.186 40 5 IIBBRN C[C@@H]1CCCN(C(=O)CSc2ncnc3c(-c4ccc([N+](=O)[O-])cc4)nsc32)C1 ZINC000013511046 556666729 /nfs/dbraw/zinc/66/67/29/556666729.db2.gz XKFRTYIAKMMINL-GFCCVEGCSA-N 0 0 429.527 4.012 40 5 IIBBRN O=C1OC(c2cccc(I)c2)=N/C1=C\C=C\c1ccc([N+](=O)[O-])cc1 ZINC000013590465 556700510 /nfs/dbraw/zinc/70/05/10/556700510.db2.gz POQKZDLVCHLZHR-PPFNYLEDSA-N 0 0 446.200 4.100 40 5 IIBBRN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716832 556715182 /nfs/dbraw/zinc/71/51/82/556715182.db2.gz AEMFDIAYBYPTBK-SFHVURJKSA-N 0 0 439.921 4.048 40 5 IIBBRN CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000013841896 556745285 /nfs/dbraw/zinc/74/52/85/556745285.db2.gz URIYHBIKRUYMJS-UHFFFAOYSA-N 0 0 447.904 4.169 40 5 IIBBRN Cc1cc2nc3s/c(=C\c4ccc(Oc5ccc([N+](=O)[O-])cn5)cc4)c(=O)n3c2cc1C ZINC000408785992 556856233 /nfs/dbraw/zinc/85/62/33/556856233.db2.gz DJDGWBKKECWPSX-JAIQZWGSSA-N 0 0 444.472 4.169 40 5 IIBBRN Cc1ccc(-c2csc(NC(=O)CSCC(=O)Nc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000409172932 556984228 /nfs/dbraw/zinc/98/42/28/556984228.db2.gz GRKYGTWUMWPNAN-UHFFFAOYSA-N 0 0 442.522 4.337 40 5 IIBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)o2)c([N+](=O)[O-])c1 ZINC000205709517 557016725 /nfs/dbraw/zinc/01/67/25/557016725.db2.gz JNPRRLOVFHEZNI-RQZCQDPDSA-N 0 0 430.438 4.151 40 5 IIBBRN Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000409240580 557021517 /nfs/dbraw/zinc/02/15/17/557021517.db2.gz QOXUHFQLMGWOPZ-CXUHLZMHSA-N 0 0 431.857 4.232 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000220252657 557027614 /nfs/dbraw/zinc/02/76/14/557027614.db2.gz QPIFAZNSOSZWJC-LLVKDONJSA-N 0 0 446.312 4.003 40 5 IIBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000409410763 557103751 /nfs/dbraw/zinc/10/37/51/557103751.db2.gz PMVLBCFTEXMWCH-UHFFFAOYSA-N 0 0 431.857 4.301 40 5 IIBBRN CCn1c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1ccccc1OC ZINC000000793554 557192885 /nfs/dbraw/zinc/19/28/85/557192885.db2.gz CBENJFKOORJBQM-AWEZNQCLSA-N 0 0 441.513 4.310 40 5 IIBBRN CCn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccc(OC)cc1 ZINC000014083098 557298943 /nfs/dbraw/zinc/29/89/43/557298943.db2.gz UROLDYMXHUJYFI-UHFFFAOYSA-N 0 0 447.904 4.266 40 5 IIBBRN CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000013841894 557394889 /nfs/dbraw/zinc/39/48/89/557394889.db2.gz GBSXFHDRYUYWSC-UHFFFAOYSA-N 0 0 447.904 4.169 40 5 IIBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OC)c(Cl)c2)cc1 ZINC000408574542 557419953 /nfs/dbraw/zinc/41/99/53/557419953.db2.gz VDPDHCCGMQKLRB-SFHVURJKSA-N 0 0 434.905 4.356 40 5 IIBBRN O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c2)o1 ZINC000408599873 557421951 /nfs/dbraw/zinc/42/19/51/557421951.db2.gz NJEYGAUJQXROCE-UHFFFAOYSA-N 0 0 446.774 4.255 40 5 IIBBRN CCc1cccc(CC)c1NC(=O)COC(=O)CCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000408664403 557427173 /nfs/dbraw/zinc/42/71/73/557427173.db2.gz QPNLTFDKSPQNHC-UHFFFAOYSA-N 0 0 441.484 4.010 40 5 IIBBRN CCCC(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2Cl)CC1 ZINC000014273464 557433004 /nfs/dbraw/zinc/43/30/04/557433004.db2.gz WWTNGFIWPGQCMV-UHFFFAOYSA-N 0 0 444.919 4.258 40 5 IIBBRN Cc1cc(C(=O)OCC(=O)Nc2cccc(-c3cnc4ccccc4n3)c2)ccc1[N+](=O)[O-] ZINC000024522792 557439443 /nfs/dbraw/zinc/43/94/43/557439443.db2.gz KGEAYVLKSJSSJS-UHFFFAOYSA-N 0 0 442.431 4.309 40 5 IIBBRN O=C1S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1Cc1ccc(F)cc1Cl ZINC000106745404 557532346 /nfs/dbraw/zinc/53/23/46/557532346.db2.gz JDKCCJFBKHBNBB-XRVIQIRUSA-N 0 0 436.804 4.353 40 5 IIBBRN CC(C)C[C@H](NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1 ZINC000222367781 568638292 /nfs/dbraw/zinc/63/82/92/568638292.db2.gz BOOJWEAZAIVJFX-NRFANRHFSA-N 0 0 447.557 4.045 40 5 IIBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222509030 568649555 /nfs/dbraw/zinc/64/95/55/568649555.db2.gz PZASPXBIYGFQOV-IBGZPJMESA-N 0 0 431.920 4.123 40 5 IIBBRN CC[C@@H](NC(=O)[C@@H](CC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)cc1 ZINC000222542979 568652090 /nfs/dbraw/zinc/65/20/90/568652090.db2.gz TXJBAZCQMVBRAB-WOJBJXKFSA-N 0 0 447.557 4.024 40 5 IIBBRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000223939500 568879766 /nfs/dbraw/zinc/87/97/66/568879766.db2.gz GENDPHLSENULEF-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN CN1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000017099406 569173319 /nfs/dbraw/zinc/17/33/19/569173319.db2.gz COGZFMZTFHZJFO-XVNBXDOJSA-N 0 0 435.311 4.305 40 5 IIBBRN O=C(CSc1nnc(-c2ccc(Br)cc2)o1)Nc1cccc([N+](=O)[O-])c1 ZINC000000853633 569180358 /nfs/dbraw/zinc/18/03/58/569180358.db2.gz YTNOUHIERQQERD-UHFFFAOYSA-N 0 0 435.259 4.138 40 5 IIBBRN CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225068261 569215246 /nfs/dbraw/zinc/21/52/46/569215246.db2.gz YWKOHKDUGLKZAS-UHFFFAOYSA-N 0 0 448.884 4.160 40 5 IIBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225137248 569218123 /nfs/dbraw/zinc/21/81/23/569218123.db2.gz NQPXYSQOXXYZNE-JKSUJKDBSA-N 0 0 431.920 4.123 40 5 IIBBRN CCCCC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000009062502 569219566 /nfs/dbraw/zinc/21/95/66/569219566.db2.gz SUYZIMUILPKDOR-UHFFFAOYSA-N 0 0 425.470 4.494 40 5 IIBBRN CCOC(=O)C1CCN(C(=S)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)CC1 ZINC000038187500 569259096 /nfs/dbraw/zinc/25/90/96/569259096.db2.gz LRQJNXXKUMEALE-UHFFFAOYSA-N 0 0 433.537 4.236 40 5 IIBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225174950 569271403 /nfs/dbraw/zinc/27/14/03/569271403.db2.gz MBQYIHPTBWVZGX-HOTGVXAUSA-N 0 0 431.920 4.123 40 5 IIBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225174915 569271470 /nfs/dbraw/zinc/27/14/70/569271470.db2.gz MBQYIHPTBWVZGX-CVEARBPZSA-N 0 0 431.920 4.123 40 5 IIBBRN O=C(c1noc(-c2ccccc2)c1S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000019202811 569316640 /nfs/dbraw/zinc/31/66/40/569316640.db2.gz YMCKLMOVOOMHHW-UHFFFAOYSA-N 0 0 434.429 4.314 40 5 IIBBRN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1-c1ccc(CO)o1 ZINC000020142989 569336107 /nfs/dbraw/zinc/33/61/07/569336107.db2.gz DGKVKSIBLDEMNA-UHFFFAOYSA-N 0 0 437.452 4.208 40 5 IIBBRN Cc1ccc(NC(=O)CSc2nnc(COc3cc(C)cc(C)c3)o2)c([N+](=O)[O-])c1 ZINC000020197013 569355693 /nfs/dbraw/zinc/35/56/93/569355693.db2.gz FWNICGPOBXOIIN-UHFFFAOYSA-N 0 0 428.470 4.213 40 5 IIBBRN NC(=S)N1N=C2/C(=C\c3cccc([N+](=O)[O-])c3)CCC[C@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000096400849 569400292 /nfs/dbraw/zinc/40/02/92/569400292.db2.gz QJRKKZNCCYNRRE-DMFMNDFGSA-N 0 0 437.481 4.343 40 5 IIBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225700372 569407072 /nfs/dbraw/zinc/40/70/72/569407072.db2.gz ZGSQNXVUGKZABS-OAQYLSRUSA-N 0 0 443.569 4.160 40 5 IIBBRN O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCOc1cccc2ccccc21 ZINC000059417134 569461266 /nfs/dbraw/zinc/46/12/66/569461266.db2.gz FZZQYCWQUQSLST-UHFFFAOYSA-N 0 0 434.370 4.341 40 5 IIBBRN O=C1[C@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000059503322 569461632 /nfs/dbraw/zinc/46/16/32/569461632.db2.gz IAQOCUIOGPLLCD-ISQHLFTMSA-N 0 0 430.847 4.125 40 5 IIBBRN Cc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000059502192 569461654 /nfs/dbraw/zinc/46/16/54/569461654.db2.gz WLWHKNLOLOSKQZ-UHFFFAOYSA-N 0 0 429.432 4.112 40 5 IIBBRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000016194516 521836794 /nfs/dbraw/zinc/83/67/94/521836794.db2.gz VZOLAWKELIUAMB-FARCUNLSSA-N 0 0 436.295 4.272 40 5 IIBBRN Cc1cc(OCC(=O)N(Cc2nc(-c3cccs3)no2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000022257572 525356075 /nfs/dbraw/zinc/35/60/75/525356075.db2.gz FXKDFKYPJZMKCA-UHFFFAOYSA-N 0 0 430.486 4.221 40 5 IIBBRN O=C(CSc1nnc(Cc2ccccc2)[nH]1)c1cc([N+](=O)[O-])ccc1Br ZINC000408674571 556614278 /nfs/dbraw/zinc/61/42/78/556614278.db2.gz ATIHUKHCXMLQRP-UHFFFAOYSA-N 0 0 433.287 4.041 40 5 IIBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1=O ZINC000408679437 556614908 /nfs/dbraw/zinc/61/49/08/556614908.db2.gz FCKXZMNRDKSULA-AWEZNQCLSA-N 0 0 445.431 4.494 40 5 IIBBRN CCC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1 ZINC000408672569 556615119 /nfs/dbraw/zinc/61/51/19/556615119.db2.gz VLZVIAGDHUFOQK-HNNXBMFYSA-N 0 0 426.469 4.250 40 5 IIBBRN Cc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)O2)cc1 ZINC000408737417 556619156 /nfs/dbraw/zinc/61/91/56/556619156.db2.gz PMKIJINYDGJTGC-STZFKDTASA-N 0 0 428.400 4.467 40 5 IIBBRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000408923948 556623527 /nfs/dbraw/zinc/62/35/27/556623527.db2.gz INERWXZKGGRDOX-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN Cn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409137917 556631007 /nfs/dbraw/zinc/63/10/07/556631007.db2.gz ZPDLNSDCWPJXMI-UHFFFAOYSA-N 0 0 438.296 4.428 40 5 IIBBRN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000409178046 556633062 /nfs/dbraw/zinc/63/30/62/556633062.db2.gz GAIUUFGQHJXMOR-ZKKFKWFVSA-N 0 0 428.419 4.305 40 5 IIBBRN O=C(Oc1cccc(-c2nc3ccccc3c(=O)[nH]2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000409266703 556636383 /nfs/dbraw/zinc/63/63/83/556636383.db2.gz XUDQLZVOWYYDIE-UHFFFAOYSA-N 0 0 432.348 4.038 40 5 IIBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](C)Oc1ccccc1 ZINC000409328189 556637217 /nfs/dbraw/zinc/63/72/17/556637217.db2.gz PVCIVRHNYTXFSB-OAHLLOKOSA-N 0 0 441.513 4.385 40 5 IIBBRN O=c1c2cc3c(ccn(Cc4ccccc4F)c3=O)nc2ccn1CCc1ccccc1 ZINC000040398847 556640873 /nfs/dbraw/zinc/64/08/73/556640873.db2.gz YPNMEVIIANOWKU-UHFFFAOYSA-N 0 0 425.463 4.142 40 5 IIBBRN O=C1C[C@@H](c2cccs2)Cc2nc3nc(SCc4ccc([N+](=O)[O-])cc4)nn3cc21 ZINC000013634409 556704763 /nfs/dbraw/zinc/70/47/63/556704763.db2.gz WLRMVTUDHFVMEK-ZDUSSCGKSA-N 0 0 437.506 4.299 40 5 IIBBRN S=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)N1CCN(c2ccccn2)CC1 ZINC000408974926 556905475 /nfs/dbraw/zinc/90/54/75/556905475.db2.gz FYIWRKOZCSOJAU-UHFFFAOYSA-N 0 0 439.548 4.178 40 5 IIBBRN O=C(CSc1nnc(COc2ccc3c(c2)CCCC3)o1)Nc1ccccc1[N+](=O)[O-] ZINC000409005538 556915812 /nfs/dbraw/zinc/91/58/12/556915812.db2.gz FQBAAATYXAIOLB-UHFFFAOYSA-N 0 0 440.481 4.166 40 5 IIBBRN Nc1c(Br)cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1Br ZINC000409181571 556989637 /nfs/dbraw/zinc/98/96/37/556989637.db2.gz CTXPPGNAEPSDTE-UHFFFAOYSA-N 0 0 430.052 4.059 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000409318268 557061075 /nfs/dbraw/zinc/06/10/75/557061075.db2.gz YAKNGLLGNNISEL-UHFFFAOYSA-N 0 0 439.493 4.122 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000220381884 557133916 /nfs/dbraw/zinc/13/39/16/557133916.db2.gz XGVZEBBIJRCSPO-NSHDSACASA-N 0 0 446.312 4.003 40 5 IIBBRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)c(C)c1 ZINC000101154766 557262401 /nfs/dbraw/zinc/26/24/01/557262401.db2.gz WKNBXXKEUJIMDM-ZRBLBEILSA-N 0 0 443.459 4.263 40 5 IIBBRN CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1cc(Cl)ccc1OC ZINC000014084746 557299174 /nfs/dbraw/zinc/29/91/74/557299174.db2.gz DZDUWMYUBIDEPG-UHFFFAOYSA-N 0 0 447.904 4.266 40 5 IIBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])c(OC)c2)nnc1-c1ccc(Cl)cc1 ZINC000408550836 557415860 /nfs/dbraw/zinc/41/58/60/557415860.db2.gz FQFNYULZDZZGOC-UHFFFAOYSA-N 0 0 447.904 4.266 40 5 IIBBRN COc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OC ZINC000408576662 557419732 /nfs/dbraw/zinc/41/97/32/557419732.db2.gz XZZZIZTWYBFKPX-FQEVSTJZSA-N 0 0 428.514 4.320 40 5 IIBBRN CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc1OC ZINC000408574483 557419985 /nfs/dbraw/zinc/41/99/85/557419985.db2.gz UXYDENHBMRNHSR-HXUWFJFHSA-N 0 0 444.513 4.102 40 5 IIBBRN Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c(C)cc1Br ZINC000408649307 557425326 /nfs/dbraw/zinc/42/53/26/557425326.db2.gz ZYRWYRSQTGJHMH-CQSZACIVSA-N 0 0 446.301 4.274 40 5 IIBBRN Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000000851593 557830389 /nfs/dbraw/zinc/83/03/89/557830389.db2.gz QWNZPBYWJVZXLI-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000000907670 568636095 /nfs/dbraw/zinc/63/60/95/568636095.db2.gz YATPTBNFTQIHSA-UHFFFAOYSA-N 0 0 440.529 4.166 40 5 IIBBRN Cc1cccc(C(C)C)c1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222364034 568638206 /nfs/dbraw/zinc/63/82/06/568638206.db2.gz ZOPZCLVGCYAZBZ-UHFFFAOYSA-N 0 0 433.530 4.212 40 5 IIBBRN CC[C@H](C(=O)Nc1cc(Cl)ccc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222535732 568651753 /nfs/dbraw/zinc/65/17/53/568651753.db2.gz LWCHOZOBTSZZAX-QGZVFWFLSA-N 0 0 439.921 4.048 40 5 IIBBRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2)cc1 ZINC000015411182 568761941 /nfs/dbraw/zinc/76/19/41/568761941.db2.gz XSRLXQHEDXFYJL-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223728639 568876943 /nfs/dbraw/zinc/87/69/43/568876943.db2.gz QJZNOFYUCNMDMM-OAHLLOKOSA-N 0 0 449.960 4.035 40 5 IIBBRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224183167 568915502 /nfs/dbraw/zinc/91/55/02/568915502.db2.gz OTEQXLPUKQHXNO-NRFANRHFSA-N 0 0 443.569 4.080 40 5 IIBBRN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000017098383 569173438 /nfs/dbraw/zinc/17/34/38/569173438.db2.gz WLHHYSBRGJZGPD-UHFFFAOYSA-N 0 0 433.449 4.233 40 5 IIBBRN O=C(NC(=S)Nc1ccccc1C(F)(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000017102038 569173444 /nfs/dbraw/zinc/17/34/44/569173444.db2.gz XDWZPFHOUHEUKM-UHFFFAOYSA-N 0 0 438.431 4.341 40 5 IIBBRN Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224734653 569184186 /nfs/dbraw/zinc/18/41/86/569184186.db2.gz CQIBCFGXOLOULR-IBGZPJMESA-N 0 0 437.540 4.312 40 5 IIBBRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225139381 569218065 /nfs/dbraw/zinc/21/80/65/569218065.db2.gz AJKCEPPNEHFNCP-MRXNPFEDSA-N 0 0 431.920 4.124 40 5 IIBBRN CCn1c(CCCc2ccc(OC)cc2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000107863850 569251456 /nfs/dbraw/zinc/25/14/56/569251456.db2.gz RBNJRKJKQPQZIE-UHFFFAOYSA-N 0 0 440.525 4.365 40 5 IIBBRN CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000108213503 569252673 /nfs/dbraw/zinc/25/26/73/569252673.db2.gz JJVIDUKDWHMBRV-UHFFFAOYSA-N 0 0 441.513 4.133 40 5 IIBBRN CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)sc2c1 ZINC000008903191 569292192 /nfs/dbraw/zinc/29/21/92/569292192.db2.gz UMLKFCQPKUJIRI-UHFFFAOYSA-N 0 0 429.454 4.422 40 5 IIBBRN O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N21 ZINC000009313344 569295275 /nfs/dbraw/zinc/29/52/75/569295275.db2.gz QTTJYWUJBQKXDZ-XQUALCHDSA-N 0 0 441.443 4.491 40 5 IIBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000012492127 569304477 /nfs/dbraw/zinc/30/44/77/569304477.db2.gz KZOBOFANLRSHHP-UHFFFAOYSA-N 0 0 449.847 4.440 40 5 IIBBRN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)o2)c1 ZINC000012674967 569304787 /nfs/dbraw/zinc/30/47/87/569304787.db2.gz DNSHFJACZQHNTM-UHFFFAOYSA-N 0 0 434.861 4.249 40 5 IIBBRN COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3c(C)cc(C)cc3[N+](=O)[O-])o2)c1 ZINC000019929001 569332042 /nfs/dbraw/zinc/33/20/42/569332042.db2.gz WGUQLGVCFVVDBX-UHFFFAOYSA-N 0 0 444.469 4.010 40 5 IIBBRN Cc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000022278852 569402620 /nfs/dbraw/zinc/40/26/20/569402620.db2.gz LIOCOCVFZOVNGR-UHFFFAOYSA-N 0 0 439.493 4.046 40 5 IIBBRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 ZINC000057316825 569430766 /nfs/dbraw/zinc/43/07/66/569430766.db2.gz UBGCBMKKCKLZKV-UHFFFAOYSA-N 0 0 444.919 4.195 40 5 IIBBRN CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000217898524 569454662 /nfs/dbraw/zinc/45/46/62/569454662.db2.gz MGQQJCDHUOMQCV-JXMROGBWSA-N 0 0 443.257 4.079 40 5 IIBBRN CC(=O)Nc1ccc(S(=O)(=O)/C(=C\c2ccc(Cl)o2)c2ccc([N+](=O)[O-])o2)cc1 ZINC000031759554 569457215 /nfs/dbraw/zinc/45/72/15/569457215.db2.gz RREFPPNVXQNLRW-YBEGLDIGSA-N 0 0 436.829 4.365 40 5 IIBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(CN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000059502177 569461664 /nfs/dbraw/zinc/46/16/64/569461664.db2.gz SFCSLJSGVRXWOR-UHFFFAOYSA-N 0 0 435.823 4.149 40 5 IIBBRN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)NC(=S)N1 ZINC000408605196 193974459 /nfs/dbraw/zinc/97/44/59/193974459.db2.gz KXUCZPHEJWUMIH-KRWDZBQOSA-N 0 0 435.889 4.253 40 5 IIBBRN COCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000020633350 523970176 /nfs/dbraw/zinc/97/01/76/523970176.db2.gz IQBYIICQMWXVQS-IBGZPJMESA-N 0 0 442.859 4.076 40 5 IIBBRN Cc1cccc(-c2noc(CN(C(=O)COc3ccc([N+](=O)[O-])c(C)c3)C(C)(C)C)n2)c1 ZINC000022257256 524132820 /nfs/dbraw/zinc/13/28/20/524132820.db2.gz JOPHKJOSKVQNRQ-UHFFFAOYSA-N 0 0 438.484 4.468 40 5 IIBBRN COc1ccc(NC(=O)CN2CCC(c3nc4ccccc4s3)CC2)c([N+](=O)[O-])c1 ZINC000012876248 524493725 /nfs/dbraw/zinc/49/37/25/524493725.db2.gz UHQWOLZSYSHYKL-UHFFFAOYSA-N 0 0 426.498 4.031 40 5 IIBBRN COc1ccc(NC(=O)Cc2sc(Nc3ccc(Cl)cc3C)nc2O)c([N+](=O)[O-])c1 ZINC000017196743 524519744 /nfs/dbraw/zinc/51/97/44/524519744.db2.gz BNODKUWAGFYKQY-INIZCTEOSA-N 0 0 448.888 4.004 40 5 IIBBRN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 ZINC000012878260 526778624 /nfs/dbraw/zinc/77/86/24/526778624.db2.gz XGTCFCRVHGGFQH-UHFFFAOYSA-N 0 0 428.901 4.334 40 5 IIBBRN O=C(c1ccco1)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 ZINC000035828091 526831849 /nfs/dbraw/zinc/83/18/49/526831849.db2.gz LXLYGQMNQNVYNM-PTGPVQHPSA-N 0 0 443.459 4.096 40 5 IIBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1ccccc1 ZINC000408653969 556613410 /nfs/dbraw/zinc/61/34/10/556613410.db2.gz QGSFNYNPMPKYCA-HXUWFJFHSA-N 0 0 444.443 4.041 40 5 IIBBRN CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408714251 556617702 /nfs/dbraw/zinc/61/77/02/556617702.db2.gz MEMLHDZONCTXIQ-UHFFFAOYSA-N 0 0 439.428 4.123 40 5 IIBBRN CCOC(=O)C(=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1)C(=O)OCC ZINC000408724594 556618272 /nfs/dbraw/zinc/61/82/72/556618272.db2.gz CDYNALCKRPYWHG-UHFFFAOYSA-N 0 0 443.452 4.082 40 5 IIBBRN O=C1c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1CCCO ZINC000408757653 556619690 /nfs/dbraw/zinc/61/96/90/556619690.db2.gz OKCAQNAOGOZYJS-UHFFFAOYSA-N 0 0 425.828 4.123 40 5 IIBBRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409171912 556632214 /nfs/dbraw/zinc/63/22/14/556632214.db2.gz DHJVQXOBFGIWPR-UHFFFAOYSA-N 0 0 425.462 4.234 40 5 IIBBRN Nc1c(Br)cc(C(=O)OCc2ccccc2[N+](=O)[O-])cc1Br ZINC000409178279 556632860 /nfs/dbraw/zinc/63/28/60/556632860.db2.gz GGJZFVQJNLLHJG-UHFFFAOYSA-N 0 0 430.052 4.059 40 5 IIBBRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000409345749 556637674 /nfs/dbraw/zinc/63/76/74/556637674.db2.gz JMZRDBLOXJNATR-WOJGMQOQSA-N 0 0 425.466 4.393 40 5 IIBBRN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409342215 556637860 /nfs/dbraw/zinc/63/78/60/556637860.db2.gz ASCCLGBMZHSFGQ-RQZCQDPDSA-N 0 0 445.409 4.360 40 5 IIBBRN COc1ccc(C2=N/C(=C/c3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 ZINC000083260750 556693890 /nfs/dbraw/zinc/69/38/90/556693890.db2.gz KAPYUIJRDAFPNE-XSFVSMFZSA-N 0 0 444.399 4.167 40 5 IIBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000001359728 556786571 /nfs/dbraw/zinc/78/65/71/556786571.db2.gz YHLHBJQNBGKMKM-UHFFFAOYSA-N 0 0 448.866 4.327 40 5 IIBBRN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000014698605 556821984 /nfs/dbraw/zinc/82/19/84/556821984.db2.gz HLNUVSAKTCQHKV-UHFFFAOYSA-N 0 0 444.900 4.461 40 5 IIBBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C1=O ZINC000409009918 556917745 /nfs/dbraw/zinc/91/77/45/556917745.db2.gz ITEXFMHBNYDMIB-HJPCULJESA-N 0 0 430.438 4.151 40 5 IIBBRN O=C(COC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cccs1 ZINC000409172476 556983956 /nfs/dbraw/zinc/98/39/56/556983956.db2.gz IULWRCGCYALUAI-UHFFFAOYSA-N 0 0 428.378 4.397 40 5 IIBBRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)c1 ZINC000409175932 556985688 /nfs/dbraw/zinc/98/56/88/556985688.db2.gz FCNJTCSDPQJKDF-UHFFFAOYSA-N 0 0 439.493 4.194 40 5 IIBBRN O=C(CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C1=O)Nc1cccc(F)c1 ZINC000409241830 557032021 /nfs/dbraw/zinc/03/20/21/557032021.db2.gz YXPNWGWLDHABDW-VIZOYTHASA-N 0 0 435.820 4.062 40 5 IIBBRN Cc1ccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1Cl ZINC000220366458 557121176 /nfs/dbraw/zinc/12/11/76/557121176.db2.gz NFPMZRXPILFTHQ-LLVKDONJSA-N 0 0 446.312 4.003 40 5 IIBBRN CCn1c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1ccccc1OC ZINC000000793555 557192803 /nfs/dbraw/zinc/19/28/03/557192803.db2.gz CBENJFKOORJBQM-CQSZACIVSA-N 0 0 441.513 4.310 40 5 IIBBRN CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000014117539 557307548 /nfs/dbraw/zinc/30/75/48/557307548.db2.gz UCMNNGYBMZXPMB-UHFFFAOYSA-N 0 0 441.513 4.133 40 5 IIBBRN Cc1[nH][nH]c(=O)c1C(c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1c(C)[nH][nH]c1=O ZINC000014134624 557308760 /nfs/dbraw/zinc/30/87/60/557308760.db2.gz XGRKFKIWDJEBCI-UHFFFAOYSA-N 0 0 429.820 4.163 40 5 IIBBRN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220573969 557352860 /nfs/dbraw/zinc/35/28/60/557352860.db2.gz SOMBLLHJKKGMPF-GOSISDBHSA-N 0 0 439.921 4.048 40 5 IIBBRN CS(=O)(=O)N(CCCC(=O)Nc1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000222685640 557374230 /nfs/dbraw/zinc/37/42/30/557374230.db2.gz JRKFTOLWODIIRU-UHFFFAOYSA-N 0 0 446.312 4.087 40 5 IIBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1 ZINC000408580519 557418970 /nfs/dbraw/zinc/41/89/70/557418970.db2.gz CDJXZFLJTITQFN-UHFFFAOYSA-N 0 0 444.513 4.185 40 5 IIBBRN COc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1Br ZINC000408570976 557419613 /nfs/dbraw/zinc/41/96/13/557419613.db2.gz MMUVIRGWUYHLAZ-QGZVFWFLSA-N 0 0 449.330 4.457 40 5 IIBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2c(c(C(F)(F)F)n1)CCCC2 ZINC000408583105 557420497 /nfs/dbraw/zinc/42/04/97/557420497.db2.gz RPYLPTCSCFLCEM-UHFFFAOYSA-N 0 0 442.419 4.022 40 5 IIBBRN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)N1CCc2ccccc21 ZINC000408603709 557421109 /nfs/dbraw/zinc/42/11/09/557421109.db2.gz GWVULBLSAYTTKC-CSKARUKUSA-N 0 0 435.436 4.038 40 5 IIBBRN CCCCc1ccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000222364358 568638250 /nfs/dbraw/zinc/63/82/50/568638250.db2.gz UEJFJBIHODSWGR-UHFFFAOYSA-N 0 0 433.530 4.122 40 5 IIBBRN CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222531942 568651518 /nfs/dbraw/zinc/65/15/18/568651518.db2.gz PNICJUMWVAVVJF-IBGZPJMESA-N 0 0 433.530 4.210 40 5 IIBBRN Cc1c(Cl)cccc1N(CCCC(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O ZINC000222666965 568657720 /nfs/dbraw/zinc/65/77/20/568657720.db2.gz PBWJBYHNMAICSU-UHFFFAOYSA-N 0 0 439.921 4.050 40 5 IIBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222949591 568754599 /nfs/dbraw/zinc/75/45/99/568754599.db2.gz RFAUMTJIXYKVRR-GOSISDBHSA-N 0 0 443.569 4.162 40 5 IIBBRN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000001312475 568779461 /nfs/dbraw/zinc/77/94/61/568779461.db2.gz YOOFYTSTNYPFKN-UHFFFAOYSA-N 0 0 438.431 4.341 40 5 IIBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223227846 568785737 /nfs/dbraw/zinc/78/57/37/568785737.db2.gz KAFJUPKPPAXVMF-FQEVSTJZSA-N 0 0 425.529 4.168 40 5 IIBBRN CC(C)(C)CC(C)(C)NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223527452 568861734 /nfs/dbraw/zinc/86/17/34/568861734.db2.gz BOIVNKCSUJOHKM-UHFFFAOYSA-N 0 0 447.557 4.121 40 5 IIBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Sc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000006302301 568882746 /nfs/dbraw/zinc/88/27/46/568882746.db2.gz LETOVCGNRNZZOX-LLVKDONJSA-N 0 0 444.538 4.199 40 5 IIBBRN CCCOc1ccc([N+](=O)[O-])cc1[C@@H]1Nc2ccccc2[C@H]2C(=O)NC(SCC)=NN12 ZINC000588229077 569145723 /nfs/dbraw/zinc/14/57/23/569145723.db2.gz CDYFNAOCMSDVPA-RBUKOAKNSA-N 0 0 441.513 4.005 40 5 IIBBRN O=[N+]([O-])c1ccccc1NC1CC[NH+](CCCC2(c3ccc(F)cc3)OCCO2)CC1 ZINC000005487906 569155560 /nfs/dbraw/zinc/15/55/60/569155560.db2.gz SWWABTYZAPRWPJ-UHFFFAOYSA-N 0 0 429.492 4.290 40 5 IIBBRN C[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224980687 569208352 /nfs/dbraw/zinc/20/83/52/569208352.db2.gz WDSVCXJKNQATHH-LJQANCHMSA-N 0 0 437.540 4.046 40 5 IIBBRN Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1NS(=O)(=O)c1ccccc1 ZINC000010371210 569224091 /nfs/dbraw/zinc/22/40/91/569224091.db2.gz YKPNVHWGZUQNKP-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000033593637 569244824 /nfs/dbraw/zinc/24/48/24/569244824.db2.gz IDZAEPILLFSADG-UHFFFAOYSA-N 0 0 430.373 4.029 40 5 IIBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccccc1F ZINC000035401615 569248621 /nfs/dbraw/zinc/24/86/21/569248621.db2.gz PBRRWQCDYRJOQL-UHFFFAOYSA-N 0 0 435.868 4.397 40 5 IIBBRN CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@@H](C)Oc1ccccc1 ZINC000107694570 569250985 /nfs/dbraw/zinc/25/09/85/569250985.db2.gz WTBDQOWOWPJVJA-OAHLLOKOSA-N 0 0 441.513 4.385 40 5 IIBBRN S=C(NCc1ccc2c(c1)OCO2)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000038206990 569259016 /nfs/dbraw/zinc/25/90/16/569259016.db2.gz BHWKNDDYANWMRU-UHFFFAOYSA-N 0 0 427.489 4.480 40 5 IIBBRN Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000009198650 569294217 /nfs/dbraw/zinc/29/42/17/569294217.db2.gz XUVBWCHTQROECQ-UHFFFAOYSA-N 0 0 434.861 4.249 40 5 IIBBRN CC(C)Nc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329027706 569322010 /nfs/dbraw/zinc/32/20/10/569322010.db2.gz PSWUMKAIWXHFIK-UHFFFAOYSA-N 0 0 447.417 4.227 40 5 IIBBRN COc1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1N1C(=O)c2ccccc2C1=O ZINC000019637847 569324088 /nfs/dbraw/zinc/32/40/88/569324088.db2.gz DRVLUYVGLLUSLC-FMIVXFBMSA-N 0 0 443.415 4.056 40 5 IIBBRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 ZINC000019645374 569324947 /nfs/dbraw/zinc/32/49/47/569324947.db2.gz MJQORYODIDFMLT-UHFFFAOYSA-N 0 0 446.891 4.076 40 5 IIBBRN O=C([O-])C1CC[NH+](Cc2c(-c3cccc([N+](=O)[O-])c3)nc3sc4ccccc4n23)CC1 ZINC000002528882 569407772 /nfs/dbraw/zinc/40/77/72/569407772.db2.gz BEERPNADQDAHHR-UHFFFAOYSA-N 0 0 436.493 4.421 40 5 IIBBRN Cc1ccccc1C(=O)N[C@H](Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000003019118 569435604 /nfs/dbraw/zinc/43/56/04/569435604.db2.gz JDCPAPDQSRLQFD-OAHLLOKOSA-N 0 0 448.646 4.317 40 5 IIBBRN CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000217892368 569454703 /nfs/dbraw/zinc/45/47/03/569454703.db2.gz LXVDXQYSQXZIMP-CMDGGOBGSA-N 0 0 443.257 4.079 40 5 IIBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1(Cl)c3ccccc3C2c2ccccc21 ZINC000059418763 569461289 /nfs/dbraw/zinc/46/12/89/569461289.db2.gz KHLDBANMWNUTRJ-ZRDDSIGQSA-N 0 0 430.847 4.342 40 5 IIBBRN COc1ccc(N(C)C(=O)c2cc(C(=O)N(C)c3ccc(OC)cc3)cc([N+](=O)[O-])c2)cc1 ZINC000059520230 569461698 /nfs/dbraw/zinc/46/16/98/569461698.db2.gz BHPPCDBRSNPMAD-UHFFFAOYSA-N 0 0 449.463 4.165 40 5 IIBBRN Cc1ccc2nc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2c1 ZINC000035074710 569584377 /nfs/dbraw/zinc/58/43/77/569584377.db2.gz QIBWGXKYLRYKPJ-UHFFFAOYSA-N 0 0 438.490 4.900 40 5 IIBBRN COc1c(C)cccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCC(C)(C)C)c2)CC1 ZINC000016362336 521804685 /nfs/dbraw/zinc/80/46/85/521804685.db2.gz MJCQMWCAFLOAQE-UHFFFAOYSA-N 0 0 440.544 4.332 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 ZINC000408738581 556618586 /nfs/dbraw/zinc/61/85/86/556618586.db2.gz SLEQYCUCCIWZPB-UZLBHIALSA-N 0 0 443.500 4.340 40 5 IIBBRN Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cccc1[N+](=O)[O-] ZINC000408923879 556623271 /nfs/dbraw/zinc/62/32/71/556623271.db2.gz HREVIFRPIADDKN-UHFFFAOYSA-N 0 0 429.429 4.095 40 5 IIBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2cccc(C)c2)cc1 ZINC000409028084 556628361 /nfs/dbraw/zinc/62/83/61/556628361.db2.gz JRXUDAKISSHGRI-UHFFFAOYSA-N 0 0 439.493 4.046 40 5 IIBBRN O=C1N/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1F ZINC000409102588 556630479 /nfs/dbraw/zinc/63/04/79/556630479.db2.gz BEHQUIFUOWMPFW-UDWIEESQSA-N 0 0 447.422 4.406 40 5 IIBBRN O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000409175696 556632878 /nfs/dbraw/zinc/63/28/78/556632878.db2.gz AMYAJVSHFHQFMP-DEOSSOPVSA-N 0 0 432.432 4.481 40 5 IIBBRN CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)N2 ZINC000409351903 556637847 /nfs/dbraw/zinc/63/78/47/556637847.db2.gz BPKLNGPDTLANID-AKCHCHLHSA-N 0 0 441.450 4.439 40 5 IIBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCCCCOC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000017381182 556677117 /nfs/dbraw/zinc/67/71/17/556677117.db2.gz JQNBUJKPUOPUCT-FNCQTZNRSA-N 0 0 440.408 4.096 40 5 IIBBRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)C1=O ZINC000205671015 556832654 /nfs/dbraw/zinc/83/26/54/556832654.db2.gz ALIDLKWWUFZMAI-RQZCQDPDSA-N 0 0 430.438 4.071 40 5 IIBBRN COc1cc2nc3ccc(NC(=S)NCc4ccc5c(c4)OCO5)cc3nc2cc1OC ZINC000409002714 556915096 /nfs/dbraw/zinc/91/50/96/556915096.db2.gz WKYAORMJHZVGDH-UHFFFAOYSA-N 0 0 448.504 4.016 40 5 IIBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O ZINC000409072429 556945970 /nfs/dbraw/zinc/94/59/70/556945970.db2.gz VLKFKMXVKCIXNY-HVIDBACLSA-N 0 0 436.829 4.106 40 5 IIBBRN Cc1c(NC(=O)[C@@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220434317 557155043 /nfs/dbraw/zinc/15/50/43/557155043.db2.gz IXMTZIDVGNAESB-LLVKDONJSA-N 0 0 446.312 4.003 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000220433975 557155081 /nfs/dbraw/zinc/15/50/81/557155081.db2.gz MYUYMXIBVRYSOU-LLVKDONJSA-N 0 0 446.312 4.003 40 5 IIBBRN O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014272681 557332047 /nfs/dbraw/zinc/33/20/47/557332047.db2.gz UVGXJATTZUHJMF-UHFFFAOYSA-N 0 0 446.442 4.320 40 5 IIBBRN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000220695109 557364238 /nfs/dbraw/zinc/36/42/38/557364238.db2.gz NXVOZOZGLAZHSN-MRXNPFEDSA-N 0 0 446.312 4.085 40 5 IIBBRN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000220735334 557365506 /nfs/dbraw/zinc/36/55/06/557365506.db2.gz SCGGUVQZLHGRPR-QGZVFWFLSA-N 0 0 439.921 4.048 40 5 IIBBRN Cc1ccc(COc2ccc([C@@H]3CN(C)[C@@]4(C(=O)Nc5ccccc54)C3[N+](=O)[O-])cc2)cc1 ZINC000408564703 557417666 /nfs/dbraw/zinc/41/76/66/557417666.db2.gz FAIBFODUIBOYTH-BBVWWWHTSA-N 0 0 443.503 4.096 40 5 IIBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(OC)ccc2OC)cc1 ZINC000408571813 557419516 /nfs/dbraw/zinc/41/95/16/557419516.db2.gz POWAJKLMTYKBNW-HXUWFJFHSA-N 0 0 444.513 4.102 40 5 IIBBRN CCc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000408639649 557423940 /nfs/dbraw/zinc/42/39/40/557423940.db2.gz GNNBCDZUIHORNZ-AWEZNQCLSA-N 0 0 446.301 4.220 40 5 IIBBRN Cc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000408661140 557427927 /nfs/dbraw/zinc/42/79/27/557427927.db2.gz BEHWZMHQKNQCIO-UHFFFAOYSA-N 0 0 447.875 4.156 40 5 IIBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000047156227 557518035 /nfs/dbraw/zinc/51/80/35/557518035.db2.gz BANDNBQZQTVVFE-UHFFFAOYSA-N 0 0 431.857 4.301 40 5 IIBBRN O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccc(-c4ccccn4)cc3)n2)c1 ZINC000015674887 560231314 /nfs/dbraw/zinc/23/13/14/560231314.db2.gz HAGCMESEZVVBDK-IRLDBZIGSA-N 0 0 443.463 4.015 40 5 biogenic,in-vitro IIBBRN CC[C@H](NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)cc1 ZINC000222378436 568639634 /nfs/dbraw/zinc/63/96/34/568639634.db2.gz XAUCZZIJQRYHBB-FQEVSTJZSA-N 0 0 447.557 4.025 40 5 IIBBRN Cc1ccc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1Cl ZINC000222374523 568640472 /nfs/dbraw/zinc/64/04/72/568640472.db2.gz WBCARXIOZVKPFR-UHFFFAOYSA-N 0 0 439.921 4.050 40 5 IIBBRN CCCCc1ccc(NC(=O)[C@@H](CC)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000222538792 568651671 /nfs/dbraw/zinc/65/16/71/568651671.db2.gz AJCUHRFQIRDXRV-HXUWFJFHSA-N 0 0 447.557 4.429 40 5 IIBBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000223079337 568778988 /nfs/dbraw/zinc/77/89/88/568778988.db2.gz GGYFYSVOGXHNOT-NHCUHLMSSA-N 0 0 438.509 4.259 40 5 IIBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223182319 568784020 /nfs/dbraw/zinc/78/40/20/568784020.db2.gz DFCPQMKSZHWNSY-HXUWFJFHSA-N 0 0 425.529 4.168 40 5 IIBBRN CC(C)(C)CC(C)(C)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223525074 568861246 /nfs/dbraw/zinc/86/12/46/568861246.db2.gz PBVBKKZJACSIRV-UHFFFAOYSA-N 0 0 447.557 4.121 40 5 IIBBRN COc1ccc2nccc(/C=C3\[C@@H](OC(=O)c4ccc([N+](=O)[O-])cc4)C4CCN3CC4)c2c1 ZINC000001719818 568880110 /nfs/dbraw/zinc/88/01/10/568880110.db2.gz HLNANWMLDWVFBH-PQBKBUHISA-N 0 0 445.475 4.444 40 5 IIBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224158459 568907835 /nfs/dbraw/zinc/90/78/35/568907835.db2.gz BPWXCDUPNLPGTB-JOCHJYFZSA-N 0 0 437.540 4.312 40 5 IIBBRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224226887 568916558 /nfs/dbraw/zinc/91/65/58/568916558.db2.gz VVSMEXQFOJIQLO-OAQYLSRUSA-N 0 0 443.569 4.080 40 5 IIBBRN CCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1OC ZINC000006878530 569094424 /nfs/dbraw/zinc/09/44/24/569094424.db2.gz NPPYHLHUJMVMPG-ZDUSSCGKSA-N 0 0 427.486 4.001 40 5 IIBBRN COCCCN(C(=O)COc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cs1 ZINC000006904373 569105733 /nfs/dbraw/zinc/10/57/33/569105733.db2.gz UOTPVTFALWRYOS-UHFFFAOYSA-N 0 0 427.482 4.167 40 5 IIBBRN Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000138916163 569130091 /nfs/dbraw/zinc/13/00/91/569130091.db2.gz HQTLOJPCEQSMKT-UHFFFAOYSA-N 0 0 427.638 4.115 40 5 IIBBRN CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000224887593 569190434 /nfs/dbraw/zinc/19/04/34/569190434.db2.gz YVBKNRFESWTXST-UHFFFAOYSA-N 0 0 449.710 4.235 40 5 IIBBRN O=C(Nc1nnc(-c2ccccc2)o1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009062079 569219348 /nfs/dbraw/zinc/21/93/48/569219348.db2.gz HEOYOOVLLIRQGZ-UHFFFAOYSA-N 0 0 429.392 4.149 40 5 IIBBRN Cc1cccc(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2)c1 ZINC000009062382 569219489 /nfs/dbraw/zinc/21/94/89/569219489.db2.gz JMEBSFVAIHLVQF-UHFFFAOYSA-N 0 0 443.419 4.458 40 5 IIBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC000011589683 569224741 /nfs/dbraw/zinc/22/47/41/569224741.db2.gz ZJAQAWDHELFVDY-UHFFFAOYSA-N 0 0 436.807 4.406 40 5 IIBBRN CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000033656956 569245507 /nfs/dbraw/zinc/24/55/07/569245507.db2.gz CKYKYXDORGJKFG-UHFFFAOYSA-N 0 0 426.498 4.377 40 5 IIBBRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008902579 569292204 /nfs/dbraw/zinc/29/22/04/569292204.db2.gz WIBIKLFSZRTBAU-LBPRGKRZSA-N 0 0 440.283 4.144 40 5 IIBBRN O=[N+]([O-])c1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CC3)n2)ccc1F ZINC000329019437 569321815 /nfs/dbraw/zinc/32/18/15/569321815.db2.gz NXCVOMIUCPIHDY-UHFFFAOYSA-N 0 0 449.364 4.251 40 5 IIBBRN Cc1ccc(NC(=O)CSc2nnc(COc3ccc(C)c(C)c3)o2)c([N+](=O)[O-])c1 ZINC000019928051 569332000 /nfs/dbraw/zinc/33/20/00/569332000.db2.gz MJJSHPUBPAJZCH-UHFFFAOYSA-N 0 0 428.470 4.213 40 5 IIBBRN CCCCOC(=O)c1ccc2nc(NC(=O)COc3ccccc3[N+](=O)[O-])sc2c1 ZINC000020411544 569363874 /nfs/dbraw/zinc/36/38/74/569363874.db2.gz SGQZTVCGKCOTFI-UHFFFAOYSA-N 0 0 429.454 4.179 40 5 IIBBRN CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000021578231 569390816 /nfs/dbraw/zinc/39/08/16/569390816.db2.gz ONPBRLQZUQJPSX-UHFFFAOYSA-N 0 0 444.919 4.258 40 5 IIBBRN COC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1Cl ZINC000225565493 569404425 /nfs/dbraw/zinc/40/44/25/569404425.db2.gz CRGOKRHGDMAHQA-OAHLLOKOSA-N 0 0 448.903 4.349 40 5 IIBBRN Cc1c(N[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C ZINC000003024221 569435847 /nfs/dbraw/zinc/43/58/47/569435847.db2.gz FEZACCWHDGLZMT-QHCPKHFHSA-N 0 0 442.475 4.429 40 5 IIBBRN O=C(Nc1nc2ccccc2s1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000003151953 569441018 /nfs/dbraw/zinc/44/10/18/569441018.db2.gz PTONPGGCPQSBJZ-UHFFFAOYSA-N 0 0 425.207 4.061 40 5 IIBBRN COc1cc([N+](=O)[O-])c(/C=C2\c3cc(OC)c(OC)cc3CCN2C)cc1Br ZINC000031719521 569457020 /nfs/dbraw/zinc/45/70/20/569457020.db2.gz GWSPZILJVPFFSJ-CAOOACKPSA-N 0 0 449.301 4.369 40 5 IIBBRN O=C1CCC(=O)N1CCCn1c2ccc(Br)cc2c2nc3ccccc3nc21 ZINC000006148188 193885301 /nfs/dbraw/zinc/88/53/01/193885301.db2.gz JQXHWMBFOIOTJI-UHFFFAOYSA-N 0 0 437.297 4.039 40 5 IIBBRN CCOc1ccccc1O[C@H](c1ccccc1)[C@H](O)COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000034068542 521568737 /nfs/dbraw/zinc/56/87/37/521568737.db2.gz WDILXXVWAWRMBW-NFBKMPQASA-N 0 0 437.448 4.332 40 5 IIBBRN O=C(COC(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1)c1cccc([N+](=O)[O-])c1 ZINC000024522616 526915432 /nfs/dbraw/zinc/91/54/32/526915432.db2.gz XMSZOVNHMCFVCN-UHFFFAOYSA-N 0 0 429.388 4.352 40 5 IIBBRN O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc(OCc2ccccc2)cc1 ZINC000020611738 527263175 /nfs/dbraw/zinc/26/31/75/527263175.db2.gz OQQJHQSIDZDQBM-UHFFFAOYSA-N 0 0 433.464 4.263 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC000408738575 556200530 /nfs/dbraw/zinc/20/05/30/556200530.db2.gz SLEQYCUCCIWZPB-JXFKEZNVSA-N 0 0 443.500 4.340 40 5 IIBBRN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712861 556285030 /nfs/dbraw/zinc/28/50/30/556285030.db2.gz QWAYIRMCKGMZAF-INIZCTEOSA-N 0 0 446.312 4.085 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCSCc1c(Cl)cccc1Cl ZINC000408706076 556617729 /nfs/dbraw/zinc/61/77/29/556617729.db2.gz USYKDXPGTMPVBG-UHFFFAOYSA-N 0 0 435.354 4.422 40 5 IIBBRN O=C(OCCCCCCCOC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000004991619 556618017 /nfs/dbraw/zinc/61/80/17/556618017.db2.gz CTJKMUPILPJSJO-UHFFFAOYSA-N 0 0 430.413 4.467 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 ZINC000408738579 556619260 /nfs/dbraw/zinc/61/92/60/556619260.db2.gz SLEQYCUCCIWZPB-OXQOHEQNSA-N 0 0 443.500 4.340 40 5 IIBBRN Cc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000409026188 556628312 /nfs/dbraw/zinc/62/83/12/556628312.db2.gz IJOGNEXLZVWCNX-UHFFFAOYSA-N 0 0 439.493 4.046 40 5 IIBBRN CCc1ccc(N2C(=O)c3ccc(C(=O)OCc4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 ZINC000409177023 556632446 /nfs/dbraw/zinc/63/24/46/556632446.db2.gz AXRSZSMQVROVTD-UHFFFAOYSA-N 0 0 430.416 4.315 40 5 IIBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)OCC(C)C)C3=O)o2)cc1[N+](=O)[O-] ZINC000409212156 556634734 /nfs/dbraw/zinc/63/47/34/556634734.db2.gz PPIAEOXXFUUHNA-GIJQJNRQSA-N 0 0 444.465 4.399 40 5 IIBBRN O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409219652 556634877 /nfs/dbraw/zinc/63/48/77/556634877.db2.gz OSRNNMGJVQSPPR-VIZOYTHASA-N 0 0 435.820 4.062 40 5 IIBBRN CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409228859 556635488 /nfs/dbraw/zinc/63/54/88/556635488.db2.gz GBLLRQNFNBHRFF-LICLKQGHSA-N 0 0 445.859 4.139 40 5 IIBBRN Cc1c([N+](=O)[O-])cc(C(=O)Oc2ccc(C(=S)N3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000013590259 556700491 /nfs/dbraw/zinc/70/04/91/556700491.db2.gz VHNVFQOEMACKFM-UHFFFAOYSA-N 0 0 429.454 4.192 40 5 IIBBRN O=C1C[C@H](c2ccccc2)Cc2nc3nc(SCc4cccc([N+](=O)[O-])c4)nn3cc21 ZINC000013634228 556704672 /nfs/dbraw/zinc/70/46/72/556704672.db2.gz XJHHONLNTSPNII-MRXNPFEDSA-N 0 0 431.477 4.238 40 5 IIBBRN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc([N+](=O)[O-])c4)N(c4ccccc4)O[C@@H]3C2=O)c(C)c1 ZINC000013687197 556711415 /nfs/dbraw/zinc/71/14/15/556711415.db2.gz PKIPREABKFBABA-VJBWXMMDSA-N 0 0 443.459 4.263 40 5 IIBBRN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2cc3c(cc2Cl)OCO3)C1=O ZINC000205662935 556832106 /nfs/dbraw/zinc/83/21/06/556832106.db2.gz CMHSITGKSDDYPG-UBKPWBPPSA-N 0 0 448.840 4.222 40 5 IIBBRN CCOc1cc(/C=C2/N=C(c3ccco3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408838266 556868148 /nfs/dbraw/zinc/86/81/48/556868148.db2.gz DADSNWQAUMXNAA-SFQUDFHCSA-N 0 0 448.387 4.150 40 5 IIBBRN O=C(Cn1nc(COc2ccc3c(c2)CCCC3)oc1=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000409168554 556983009 /nfs/dbraw/zinc/98/30/09/556983009.db2.gz MMNHDEKKZYVWJN-UHFFFAOYSA-N 0 0 440.481 4.210 40 5 IIBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)cc1[N+](=O)[O-])C1c3ccccc3C2(Cl)c2ccccc21 ZINC000409177987 556986892 /nfs/dbraw/zinc/98/68/92/556986892.db2.gz IBXBRYFVXANHJB-CAZKKTPXSA-N 0 0 448.837 4.481 40 5 IIBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225529655 557114950 /nfs/dbraw/zinc/11/49/50/557114950.db2.gz LWAONECDPMCCJH-RXVVDRJESA-N 0 0 425.529 4.168 40 5 IIBBRN O=C1CCC[C@@]2(c3ccc([N+](=O)[O-])cc3)[C@H]1[C@@H]1C(=O)CCC[C@]12c1ccc([N+](=O)[O-])cc1 ZINC000100491287 557410591 /nfs/dbraw/zinc/41/05/91/557410591.db2.gz VBZAFOXGSKTOGM-WAPCQROESA-N 0 0 434.448 4.431 40 5 IIBBRN CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1OC ZINC000408569877 557418637 /nfs/dbraw/zinc/41/86/37/557418637.db2.gz KBLPKNHUCLYVTG-HXUWFJFHSA-N 0 0 428.514 4.402 40 5 IIBBRN COc1cc(Cl)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1OC ZINC000408572652 557419064 /nfs/dbraw/zinc/41/90/64/557419064.db2.gz RQHCUJNUHLKGJB-GOSISDBHSA-N 0 0 434.905 4.356 40 5 IIBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OC)c(OC)c2)cc1 ZINC000408572617 557419489 /nfs/dbraw/zinc/41/94/89/557419489.db2.gz RMNIVTZGZLKMFH-HXUWFJFHSA-N 0 0 444.513 4.102 40 5 IIBBRN CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000014039000 557419955 /nfs/dbraw/zinc/41/99/55/557419955.db2.gz SXADLFSMKYWSTF-UHFFFAOYSA-N 0 0 438.303 4.271 40 5 IIBBRN Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1ccccc1[N+](=O)[O-] ZINC000408646058 557425103 /nfs/dbraw/zinc/42/51/03/557425103.db2.gz NPRXAMYPGXMBLF-UHFFFAOYSA-N 0 0 427.638 4.115 40 5 IIBBRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)c(C)c3C)CC2=O)cc1[N+](=O)[O-] ZINC000408647826 557425356 /nfs/dbraw/zinc/42/53/56/557425356.db2.gz XOXIAKPGWFQVNO-AWEZNQCLSA-N 0 0 446.301 4.274 40 5 IIBBRN O=C(CCCC(=O)OCC(=O)Nc1cccc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000408662473 557426325 /nfs/dbraw/zinc/42/63/25/557426325.db2.gz IVMVEVHPRFIBSL-UHFFFAOYSA-N 0 0 435.436 4.039 40 5 IIBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225006252 557676543 /nfs/dbraw/zinc/67/65/43/557676543.db2.gz OAZSHOUYBUBQKE-JOCHJYFZSA-N 0 0 437.540 4.394 40 5 IIBBRN COc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3cccc([N+](=O)[O-])c3)no2)c2ccccc12 ZINC000015674825 560231221 /nfs/dbraw/zinc/23/12/21/560231221.db2.gz ALSDIIRCXKMKKX-NQIIRXRSSA-N 0 0 446.463 4.115 40 5 biogenic,in-vitro IIBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000222372236 568640203 /nfs/dbraw/zinc/64/02/03/568640203.db2.gz UJZNQGIPRKCWRS-UHFFFAOYSA-N 0 0 433.530 4.212 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc(Cl)cc1C)S(C)(=O)=O ZINC000222374252 568640415 /nfs/dbraw/zinc/64/04/15/568640415.db2.gz POTDLBDHRWBQBW-UHFFFAOYSA-N 0 0 439.921 4.050 40 5 IIBBRN CC[C@H](C(=O)N[C@@H](CC)c1ccc(C)c(C)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222530165 568650487 /nfs/dbraw/zinc/65/04/87/568650487.db2.gz XRTGOOUGTRVMNJ-LEWJYISDSA-N 0 0 447.557 4.024 40 5 IIBBRN CC[C@@H](C(=O)Nc1ccccc1C(C)C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222537697 568651695 /nfs/dbraw/zinc/65/16/95/568651695.db2.gz HIXJADCMWZZQMH-IBGZPJMESA-N 0 0 433.530 4.210 40 5 IIBBRN CS(=O)(=O)N(CCCC(=O)Nc1cc(Cl)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000222686082 568657299 /nfs/dbraw/zinc/65/72/99/568657299.db2.gz YQGILPRDFBFZAO-UHFFFAOYSA-N 0 0 446.312 4.087 40 5 IIBBRN CCOc1ccc(C(=O)NC(=S)Nc2c3cccnc3ccc2[N+](=O)[O-])cc1Cl ZINC000032111860 568781295 /nfs/dbraw/zinc/78/12/95/568781295.db2.gz NCLHJVHZFDJPKE-UHFFFAOYSA-N 0 0 430.873 4.322 40 5 IIBBRN CCOc1ccc(C(=O)Nc2ccc(I)cc2CC)cc1[N+](=O)[O-] ZINC000016161258 568872054 /nfs/dbraw/zinc/87/20/54/568872054.db2.gz XBYLPKYQGLOJFR-UHFFFAOYSA-N 0 0 440.237 4.413 40 5 IIBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223705211 568876511 /nfs/dbraw/zinc/87/65/11/568876511.db2.gz MWRSTHGFROOEGZ-OAQYLSRUSA-N 0 0 425.529 4.169 40 5 IIBBRN COC(=O)c1ccccc1N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000001713720 568880083 /nfs/dbraw/zinc/88/00/83/568880083.db2.gz DWNNHKUZJLPGBW-UHFFFAOYSA-N 0 0 440.477 4.085 40 5 IIBBRN Cc1ccc(S(=O)(=O)/C=C(\I)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001725587 568880351 /nfs/dbraw/zinc/88/03/51/568880351.db2.gz AAONIAYFUHUSLX-GDNBJRDFSA-N 0 0 429.235 4.111 40 5 IIBBRN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nnc2-c2ccco2)cc1 ZINC000006280197 568881500 /nfs/dbraw/zinc/88/15/00/568881500.db2.gz SHWLCXONMFYDGT-UHFFFAOYSA-N 0 0 435.465 4.475 40 5 IIBBRN O=C(COc1ccc(Cl)cc1Cl)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000016383991 568885680 /nfs/dbraw/zinc/88/56/80/568885680.db2.gz UJIRXIJAFLJAEB-UHFFFAOYSA-N 0 0 444.702 4.283 40 5 IIBBRN Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2)c1 ZINC000224137174 568906522 /nfs/dbraw/zinc/90/65/22/568906522.db2.gz MHKYLCWBHPEBIM-UHFFFAOYSA-N 0 0 439.493 4.289 40 5 IIBBRN Cc1c(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)cccc1[N+](=O)[O-] ZINC000224158047 568907878 /nfs/dbraw/zinc/90/78/78/568907878.db2.gz NSYOKFCKYPDFKC-UHFFFAOYSA-N 0 0 443.456 4.120 40 5 IIBBRN O=[N+]([O-])c1ccc(S(=O)(=O)N2C(=S)Nc3ccccc3[C@H]2c2ccccc2)cc1 ZINC000016478548 568909364 /nfs/dbraw/zinc/90/93/64/568909364.db2.gz LCRZQAPOPBWZAV-LJQANCHMSA-N 0 0 425.491 4.086 40 5 IIBBRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224183119 568915419 /nfs/dbraw/zinc/91/54/19/568915419.db2.gz OTEQXLPUKQHXNO-OAQYLSRUSA-N 0 0 443.569 4.080 40 5 IIBBRN CCCOc1cccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000016678266 568937648 /nfs/dbraw/zinc/93/76/48/568937648.db2.gz WFFNQJQWKPUBQI-UHFFFAOYSA-N 0 0 437.418 4.365 40 5 IIBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224557454 568939906 /nfs/dbraw/zinc/93/99/06/568939906.db2.gz CKBXKHREOQBQHI-OAQYLSRUSA-N 0 0 425.529 4.025 40 5 IIBBRN COCCCN(C(=O)COc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000006904375 569105705 /nfs/dbraw/zinc/10/57/05/569105705.db2.gz RRNARRJXAOGDET-UHFFFAOYSA-N 0 0 427.482 4.167 40 5 IIBBRN CCOc1ccc(C(=O)NC(=S)Nc2nc3c(s2)c(C)ccc3C)cc1[N+](=O)[O-] ZINC000017096976 569172492 /nfs/dbraw/zinc/17/24/92/569172492.db2.gz HRJJCCXLDAPWPE-UHFFFAOYSA-N 0 0 430.511 4.347 40 5 IIBBRN O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000017094478 569172848 /nfs/dbraw/zinc/17/28/48/569172848.db2.gz VNLAPQMCYPLVMU-UHFFFAOYSA-N 0 0 425.510 4.284 40 5 IIBBRN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000017102092 569173325 /nfs/dbraw/zinc/17/33/25/569173325.db2.gz OUVOFNINJQLZEG-UHFFFAOYSA-N 0 0 438.465 4.330 40 5 IIBBRN COc1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000017101316 569173793 /nfs/dbraw/zinc/17/37/93/569173793.db2.gz CRKGIQQGSZQFJS-UHFFFAOYSA-N 0 0 437.477 4.309 40 5 IIBBRN Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NC2CCCCC2)c1 ZINC000224707285 569182004 /nfs/dbraw/zinc/18/20/04/569182004.db2.gz WOVMZKFFQPLHKU-LJQANCHMSA-N 0 0 437.540 4.312 40 5 IIBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224821437 569188919 /nfs/dbraw/zinc/18/89/19/569188919.db2.gz MZVPMOYYARXICJ-KRWDZBQOSA-N 0 0 441.503 4.143 40 5 IIBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224976273 569204774 /nfs/dbraw/zinc/20/47/74/569204774.db2.gz ZYJHENFZBKRIOY-ZWKOTPCHSA-N 0 0 443.569 4.160 40 5 IIBBRN Cc1cc(NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc([N+](=O)[O-])c1C ZINC000033764586 569246605 /nfs/dbraw/zinc/24/66/05/569246605.db2.gz YBGUPDWHZINFIG-IBGZPJMESA-N 0 0 443.500 4.260 40 5 IIBBRN CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000034737421 569247533 /nfs/dbraw/zinc/24/75/33/569247533.db2.gz RSUBZDGBSAPDME-UHFFFAOYSA-N 0 0 426.498 4.377 40 5 IIBBRN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008831261 569290981 /nfs/dbraw/zinc/29/09/81/569290981.db2.gz VNHFYPDKXPLHCT-OAHLLOKOSA-N 0 0 442.541 4.072 40 5 IIBBRN O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc(Br)cc1 ZINC000009056741 569293096 /nfs/dbraw/zinc/29/30/96/569293096.db2.gz ZBZRGPGRPMUNOV-UHFFFAOYSA-N 0 0 435.259 4.138 40 5 IIBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c(C)c1 ZINC000012482605 569304519 /nfs/dbraw/zinc/30/45/19/569304519.db2.gz JBJIWNXZGFNLPD-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN CCNc1nc(Nc2cccc([N+](=O)[O-])c2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329041929 569322215 /nfs/dbraw/zinc/32/22/15/569322215.db2.gz SLCXOLZFIOIJRV-UHFFFAOYSA-N 0 0 433.390 4.278 40 5 IIBBRN CNc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329068353 569322930 /nfs/dbraw/zinc/32/29/30/569322930.db2.gz YQDHFECMAMFBST-UHFFFAOYSA-N 0 0 439.781 4.233 40 5 IIBBRN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000019929050 569332024 /nfs/dbraw/zinc/33/20/24/569332024.db2.gz DWERKOKJNWARFV-UHFFFAOYSA-N 0 0 425.514 4.145 40 5 IIBBRN Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000019929286 569332173 /nfs/dbraw/zinc/33/21/73/569332173.db2.gz KQNCJYXSCLNUQF-UHFFFAOYSA-N 0 0 434.861 4.249 40 5 IIBBRN COc1c([N+](=O)[O-])cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000020528714 569371553 /nfs/dbraw/zinc/37/15/53/569371553.db2.gz NXXSWFQFKVLOIS-MRVPVSSYSA-N 0 0 430.200 4.224 40 5 IIBBRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CC1 ZINC000057317096 569430762 /nfs/dbraw/zinc/43/07/62/569430762.db2.gz CKGQTLKCSWNAQV-UHFFFAOYSA-N 0 0 444.919 4.195 40 5 IIBBRN Cc1cc(I)cnc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000032125409 569460357 /nfs/dbraw/zinc/46/03/57/569460357.db2.gz JXYIOLJCLJWCRR-HWKANZROSA-N 0 0 443.628 4.208 40 5 IIBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000059418744 569461255 /nfs/dbraw/zinc/46/12/55/569461255.db2.gz OCLSQCMVRCDUIH-YQORSWRPSA-N 0 0 430.847 4.342 40 5 IIBBRN O=C1[C@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000059418753 569461290 /nfs/dbraw/zinc/46/12/90/569461290.db2.gz MEMZBGHAQFNLRH-ISQHLFTMSA-N 0 0 430.847 4.342 40 5 IIBBRN CCOC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C)c(OCc2ccccc2)c1[N+](=O)[O-] ZINC000008627831 569469424 /nfs/dbraw/zinc/46/94/24/569469424.db2.gz UTBWPWJQXGAJNI-IBGZPJMESA-N 0 0 428.485 4.190 40 5 IIBBRN Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000039752774 569481899 /nfs/dbraw/zinc/48/18/99/569481899.db2.gz AGSBEDRCFRUOBC-UHFFFAOYSA-N 0 0 443.419 4.458 40 5 IIBBRN CC(C)[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2ccccc2)n1 ZINC000328985659 569583392 /nfs/dbraw/zinc/58/33/92/569583392.db2.gz HTSVIVIADFPYCX-SFHVURJKSA-N 0 0 427.892 4.878 40 5 IIBBRN CCCCc1ccc2nc(NC(=S)NC(=O)COc3ccccc3[N+](=O)[O-])sc2c1 ZINC000032118898 569583618 /nfs/dbraw/zinc/58/36/18/569583618.db2.gz REHIQMCKLUTKTE-UHFFFAOYSA-N 0 0 444.538 4.439 40 5 IIBBRN Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1[N+](=O)[O-] ZINC000006280876 193895124 /nfs/dbraw/zinc/89/51/24/193895124.db2.gz GGNFAEKGMDJNFU-UHFFFAOYSA-N 0 0 446.492 4.277 40 5 IIBBRN CCOc1ccc(-c2csc(-c3cc(NC(=O)c4ccc([N+](=O)[O-])o4)n(C)n3)n2)cc1 ZINC000035683036 520811572 /nfs/dbraw/zinc/81/15/72/520811572.db2.gz PISYYYUIQSLARQ-UHFFFAOYSA-N 0 0 439.453 4.363 40 5 IIBBRN CC[C@H](C)N(Cc1nc(-c2cccs2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000022257567 523944344 /nfs/dbraw/zinc/94/43/44/523944344.db2.gz JOGYSRCJPMDTLV-AWEZNQCLSA-N 0 0 430.486 4.221 40 5 IIBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1ccccc1 ZINC000408653967 556613432 /nfs/dbraw/zinc/61/34/32/556613432.db2.gz QGSFNYNPMPKYCA-FQEVSTJZSA-N 0 0 444.443 4.041 40 5 IIBBRN COCCN1C(=O)S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O ZINC000409135285 556630973 /nfs/dbraw/zinc/63/09/73/556630973.db2.gz UEEVICFZMDUCGE-UDWIEESQSA-N 0 0 437.477 4.281 40 5 IIBBRN Cc1ccc(N2C(=O)c3ccc(C(=O)OCc4cccc([N+](=O)[O-])c4)cc3C2=O)cc1C ZINC000409178209 556632807 /nfs/dbraw/zinc/63/28/07/556632807.db2.gz FOMJRQGYGXGZAX-UHFFFAOYSA-N 0 0 430.416 4.369 40 5 IIBBRN Cc1cccc(C)c1N1C(=O)c2ccc(C(=O)OCc3ccccc3[N+](=O)[O-])cc2C1=O ZINC000409177666 556633016 /nfs/dbraw/zinc/63/30/16/556633016.db2.gz HSCKTXFQPUUPKW-UHFFFAOYSA-N 0 0 430.416 4.369 40 5 IIBBRN Cc1c(C)c(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1Br ZINC000409204260 556634266 /nfs/dbraw/zinc/63/42/66/556634266.db2.gz DIEIYSFGIIAMJH-UHFFFAOYSA-N 0 0 441.665 4.423 40 5 IIBBRN CC(C)COC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O ZINC000409217218 556634670 /nfs/dbraw/zinc/63/46/70/556634670.db2.gz OCDKQVRYJFHCCS-PQMHYQBVSA-N 0 0 433.269 4.137 40 5 IIBBRN O=C1N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1Cc1ccccc1 ZINC000409243362 556636031 /nfs/dbraw/zinc/63/60/31/556636031.db2.gz VWLYVYYGWKPAMD-HYARGMPZSA-N 0 0 429.432 4.267 40 5 IIBBRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409347882 556637811 /nfs/dbraw/zinc/63/78/11/556637811.db2.gz NHKOROMOIADRJU-WOJGMQOQSA-N 0 0 425.466 4.393 40 5 IIBBRN O=C(CSc1nnc(-c2ccccc2O)n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000409381778 556639058 /nfs/dbraw/zinc/63/90/58/556639058.db2.gz WEVGYTZPXNZZGD-UHFFFAOYSA-N 0 0 447.476 4.279 40 5 IIBBRN CCOC(=O)c1cc([N+](=O)[O-])cc2nc(-c3cccc(I)c3)oc21 ZINC000073641704 556706153 /nfs/dbraw/zinc/70/61/53/556706153.db2.gz BXGLAIMDZQQGGZ-UHFFFAOYSA-N 0 0 438.177 4.184 40 5 IIBBRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2C)cc1 ZINC000013871322 556747560 /nfs/dbraw/zinc/74/75/60/556747560.db2.gz NNWOYBVDUPZRSX-AWEZNQCLSA-N 0 0 441.513 4.157 40 5 IIBBRN Cc1cccc(C(=O)Oc2ccccc2/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)c1 ZINC000408848676 556870124 /nfs/dbraw/zinc/87/01/24/556870124.db2.gz XRELGVLVNKAIPL-XSFVSMFZSA-N 0 0 428.400 4.467 40 5 IIBBRN C[C@H]1CCCC[C@H]1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 ZINC000408996734 556912439 /nfs/dbraw/zinc/91/24/39/556912439.db2.gz AIDBMSZNZCQAIY-WTOYTKOKSA-N 0 0 439.512 4.127 40 5 IIBBRN COc1cc(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000219822558 556917837 /nfs/dbraw/zinc/91/78/37/556917837.db2.gz FBHBMKUHZWRLRV-INIZCTEOSA-N 0 0 449.463 4.112 40 5 IIBBRN COc1ccc(CCCc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])o2)cc1C ZINC000409019676 556924083 /nfs/dbraw/zinc/92/40/83/556924083.db2.gz WRPLCRJBYITCNR-UHFFFAOYSA-N 0 0 442.497 4.201 40 5 IIBBRN COc1cc2c(cc1C)-c1nc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)sc1CC2 ZINC000409052165 556933711 /nfs/dbraw/zinc/93/37/11/556933711.db2.gz IOGHJZGOUAEFIK-UHFFFAOYSA-N 0 0 440.437 4.294 40 5 IIBBRN COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/SC(=O)N(CCCc2ccccc2)C1=O ZINC000409144308 556976041 /nfs/dbraw/zinc/97/60/41/556976041.db2.gz FFCRZKHDXCAVPY-XDHOZWIPSA-N 0 0 428.466 4.281 40 5 IIBBRN Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(C=O)o3)ccc2Cl)cc1[N+](=O)[O-] ZINC000409180637 556989110 /nfs/dbraw/zinc/98/91/10/556989110.db2.gz XNIDHGRYRQVEBI-UHFFFAOYSA-N 0 0 442.811 4.425 40 5 IIBBRN Cc1s/c(=N\C(=O)c2ccccc2[N+](=O)[O-])n(C)c1-c1ccc(Br)cc1 ZINC000409201150 557000364 /nfs/dbraw/zinc/00/03/64/557000364.db2.gz VXUBPTRUHBLBKD-ZZEZOPTASA-N 0 0 432.299 4.474 40 5 IIBBRN Cc1c(NC(=O)[C@H](C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220253069 557027693 /nfs/dbraw/zinc/02/76/93/557027693.db2.gz NEGDJPUHEWHSPM-NSHDSACASA-N 0 0 446.312 4.003 40 5 IIBBRN Cc1cc(Oc2cc([N+](=O)[O-])cc(N3C(=O)[C@H]4[C@H]5CC[C@H](O5)[C@@H]4C3=O)c2)ccc1Cl ZINC000013960243 557046861 /nfs/dbraw/zinc/04/68/61/557046861.db2.gz HCVVJGLGZKTONX-RDGPPVDQSA-N 0 0 428.828 4.016 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000220382699 557133887 /nfs/dbraw/zinc/13/38/87/557133887.db2.gz NUAIOXGLSSBYNS-NSHDSACASA-N 0 0 446.312 4.003 40 5 IIBBRN O=C1[C@H]2[C@H](ON(c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000101035062 557214427 /nfs/dbraw/zinc/21/44/27/557214427.db2.gz HBXSYPXOUMPLMU-NJYVYQBISA-N 0 0 449.850 4.299 40 5 IIBBRN CCc1nnc2sc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3)nn12 ZINC000057316881 557239893 /nfs/dbraw/zinc/23/98/93/557239893.db2.gz PCPLKSLUARUZEY-UHFFFAOYSA-N 0 0 428.861 4.229 40 5 IIBBRN O=C(NC(=S)Nc1ccc(Br)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014269945 557332379 /nfs/dbraw/zinc/33/23/79/557332379.db2.gz OFTGEHXGRPGJRT-UHFFFAOYSA-N 0 0 449.330 4.084 40 5 IIBBRN O=C(Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl)c1ccccc1Br ZINC000072229248 557343523 /nfs/dbraw/zinc/34/35/23/557343523.db2.gz ZNKVHOKKJALIDY-UHFFFAOYSA-N 0 0 440.681 4.100 40 5 IIBBRN O=C(CCc1ccccc1)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000100456395 557403658 /nfs/dbraw/zinc/40/36/58/557403658.db2.gz ZSAXQWWKSNTNNZ-UHFFFAOYSA-N 0 0 434.408 4.327 40 5 IIBBRN Cc1ccc(NC(=O)CSc2nc(C34CC5CC(CC(C5)C3)C4)n[nH]2)cc1[N+](=O)[O-] ZINC000408582990 557420508 /nfs/dbraw/zinc/42/05/08/557420508.db2.gz QMAVRCGETAJPTA-UHFFFAOYSA-N 0 0 427.530 4.220 40 5 IIBBRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)c2ccccc12 ZINC000408598758 557421946 /nfs/dbraw/zinc/42/19/46/557421946.db2.gz AXQLMUJORIYACI-UHFFFAOYSA-N 0 0 429.226 4.306 40 5 IIBBRN Cc1c(Cl)c(Br)ccc1NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000408664065 557427966 /nfs/dbraw/zinc/42/79/66/557427966.db2.gz JASMULCZSXRHOF-UHFFFAOYSA-N 0 0 427.638 4.115 40 5 IIBBRN CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000014795876 557454679 /nfs/dbraw/zinc/45/46/79/557454679.db2.gz CMEDOCYOPJYZNK-UHFFFAOYSA-N 0 0 438.303 4.271 40 5 IIBBRN CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)c1[O-] ZINC000106784084 557532378 /nfs/dbraw/zinc/53/23/78/557532378.db2.gz XJPKZQSJQQQSLH-WQRHYEAKSA-N 0 0 444.465 4.123 40 5 IIBBRN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)c2)cc1 ZINC000222546700 568652430 /nfs/dbraw/zinc/65/24/30/568652430.db2.gz FPEDABOOTGZDLP-UHFFFAOYSA-N 0 0 439.493 4.289 40 5 IIBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222827206 568663367 /nfs/dbraw/zinc/66/33/67/568663367.db2.gz XYAFWGVBQDKXNY-OAHLLOKOSA-N 0 0 431.920 4.123 40 5 IIBBRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222889010 568736641 /nfs/dbraw/zinc/73/66/41/568736641.db2.gz WOYDEABVWGACNR-OAHLLOKOSA-N 0 0 449.960 4.035 40 5 IIBBRN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)o2)c1C ZINC000059176148 568780466 /nfs/dbraw/zinc/78/04/66/568780466.db2.gz CCRGWTKGBCHNSX-UHFFFAOYSA-N 0 0 428.470 4.213 40 5 IIBBRN Cc1ccccc1N1O[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000006162642 568848689 /nfs/dbraw/zinc/84/86/89/568848689.db2.gz IOVYATFMQVVEGT-BHIFYINESA-N 0 0 447.422 4.093 40 5 IIBBRN CCCC[C@@H](CC)CNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223525329 568861195 /nfs/dbraw/zinc/86/11/95/568861195.db2.gz XRQUCVZHNWUNEK-GOSISDBHSA-N 0 0 447.557 4.123 40 5 IIBBRN COc1cc([N+](=O)[O-])c(/C=C2/c3cc(OC)c(OC)cc3CCN2C)cc1Br ZINC000001560120 568867134 /nfs/dbraw/zinc/86/71/34/568867134.db2.gz GWSPZILJVPFFSJ-IUXPMGMMSA-N 0 0 449.301 4.369 40 5 IIBBRN O=C(CSCCCSCC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000016400730 568887771 /nfs/dbraw/zinc/88/77/71/568887771.db2.gz OSIODGSCLLPCGK-UHFFFAOYSA-N 0 0 434.495 4.425 40 5 IIBBRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000017097458 569172740 /nfs/dbraw/zinc/17/27/40/569172740.db2.gz SXIZIZLUOFASEG-IZZDOVSWSA-N 0 0 431.448 4.413 40 5 IIBBRN O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(OCc2ccccc2)c1 ZINC000017094395 569172741 /nfs/dbraw/zinc/17/27/41/569172741.db2.gz CQMVFXKFKAAGFK-UHFFFAOYSA-N 0 0 425.441 4.440 40 5 IIBBRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017096676 569173071 /nfs/dbraw/zinc/17/30/71/569173071.db2.gz YWDAULSASCNFTP-UHFFFAOYSA-N 0 0 429.782 4.356 40 5 IIBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1Br ZINC000017101106 569173830 /nfs/dbraw/zinc/17/38/30/569173830.db2.gz UTTNQCJTAHEHTF-UHFFFAOYSA-N 0 0 437.300 4.094 40 5 IIBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225073086 569214148 /nfs/dbraw/zinc/21/41/48/569214148.db2.gz MFLNOLHPLQOUNX-OAQYLSRUSA-N 0 0 443.569 4.162 40 5 IIBBRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2C)cc1 ZINC000010315137 569222749 /nfs/dbraw/zinc/22/27/49/569222749.db2.gz XDODGWHFALYBLH-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN Cc1ccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1C ZINC000010325657 569223061 /nfs/dbraw/zinc/22/30/61/569223061.db2.gz NJACJDXRZPMOOP-UHFFFAOYSA-N 0 0 439.921 4.050 40 5 IIBBRN Cc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c([N+](=O)[O-])c1 ZINC000034895646 569248120 /nfs/dbraw/zinc/24/81/20/569248120.db2.gz HLQZJYKEEFDBQC-UHFFFAOYSA-N 0 0 426.410 4.198 40 5 IIBBRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2C)c1 ZINC000068874705 569250049 /nfs/dbraw/zinc/25/00/49/569250049.db2.gz KSOGTRMVBRFDSZ-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@H](C)Oc1ccccc1 ZINC000107694573 569250956 /nfs/dbraw/zinc/25/09/56/569250956.db2.gz WTBDQOWOWPJVJA-HNNXBMFYSA-N 0 0 441.513 4.385 40 5 IIBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225152920 569266280 /nfs/dbraw/zinc/26/62/80/569266280.db2.gz MAQCNTJTEKJRMB-QGZVFWFLSA-N 0 0 441.503 4.143 40 5 IIBBRN CN(C)c1ccc([C@H]2[C@@H](C(=O)c3ccccc3)N3N=Cc4ccccc4[C@H]3[C@H]2[N+](=O)[O-])cc1 ZINC000009007681 569292792 /nfs/dbraw/zinc/29/27/92/569292792.db2.gz PRAVMSFPXRPZKR-ROHNOIKCSA-N 0 0 440.503 4.137 40 5 IIBBRN Cc1ccc(S(=O)(=O)N(Cc2cccc([N+](=O)[O-])c2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000009056694 569293157 /nfs/dbraw/zinc/29/31/57/569293157.db2.gz KYHVYSLIXXPYFM-UHFFFAOYSA-N 0 0 427.438 4.207 40 5 IIBBRN NC(=S)N1N=C2/C(=C\c3cccc([N+](=O)[O-])c3)CCC[C@H]2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000096400847 569400285 /nfs/dbraw/zinc/40/02/85/569400285.db2.gz QJRKKZNCCYNRRE-TWRDJXJLSA-N 0 0 437.481 4.343 40 5 IIBBRN O=C(COC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000002751319 569420168 /nfs/dbraw/zinc/42/01/68/569420168.db2.gz KXDWHBYCOURSRH-UHFFFAOYSA-N 0 0 429.388 4.352 40 5 IIBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000059133037 569459449 /nfs/dbraw/zinc/45/94/49/569459449.db2.gz YAVXNOPPCZRGQZ-GIDUJCDVSA-N 0 0 437.477 4.356 40 5 IIBBRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 ZINC000040717808 569513797 /nfs/dbraw/zinc/51/37/97/569513797.db2.gz SHNNFDJUYXBTJJ-UHFFFAOYSA-N 0 0 444.919 4.195 40 5 IIBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223272984 517754005 /nfs/dbraw/zinc/75/40/05/517754005.db2.gz XSSIAYRLDGEJQG-FQEVSTJZSA-N 0 0 425.529 4.168 40 5 IIBBRN CCOc1ccccc1O[C@@H](c1ccccc1)[C@@H](O)COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000022058633 521568311 /nfs/dbraw/zinc/56/83/11/521568311.db2.gz WDILXXVWAWRMBW-REWPJTCUSA-N 0 0 437.448 4.332 40 5 IIBBRN CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000035808833 524013353 /nfs/dbraw/zinc/01/33/53/524013353.db2.gz FIXVGBLGVUHROG-UWUFEASWSA-N 0 0 445.450 4.110 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000015411112 526082882 /nfs/dbraw/zinc/08/28/82/526082882.db2.gz MEFIUUUKKOUHQY-UHFFFAOYSA-N 0 0 429.429 4.095 40 5 IIBBRN COc1ccc(NC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1Br ZINC000016226693 556592863 /nfs/dbraw/zinc/59/28/63/556592863.db2.gz AVUAVRPIEMIAIT-UHFFFAOYSA-N 0 0 444.694 4.146 40 5 IIBBRN O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408913287 556623548 /nfs/dbraw/zinc/62/35/48/556623548.db2.gz SOESMAOGPUKBNL-UHFFFAOYSA-N 0 0 430.269 4.473 40 5 IIBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O ZINC000409074415 556629790 /nfs/dbraw/zinc/62/97/90/556629790.db2.gz ZIIATUKSTJEPTA-HVIDBACLSA-N 0 0 436.829 4.106 40 5 IIBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O ZINC000409097020 556630109 /nfs/dbraw/zinc/63/01/09/556630109.db2.gz LIXLGYOGTRFYHH-HVIDBACLSA-N 0 0 436.829 4.106 40 5 IIBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1CC1CCCCC1 ZINC000409134169 556630948 /nfs/dbraw/zinc/63/09/48/556630948.db2.gz NAQRUEKMKPUBIG-UYRXBGFRSA-N 0 0 431.514 4.048 40 5 IIBBRN O=C(OCc1ccc(Cl)cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409177253 556632782 /nfs/dbraw/zinc/63/27/82/556632782.db2.gz FVBTZSIQWNQJPY-UHFFFAOYSA-N 0 0 431.853 4.438 40 5 IIBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)c(C)c1 ZINC000409173666 556633097 /nfs/dbraw/zinc/63/30/97/556633097.db2.gz OECQPZMYWJMENQ-UHFFFAOYSA-N 0 0 439.493 4.194 40 5 IIBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)o1 ZINC000409244383 556636334 /nfs/dbraw/zinc/63/63/34/556636334.db2.gz BTTKVYNYSSGYJN-XDHOZWIPSA-N 0 0 433.420 4.265 40 5 IIBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)o1 ZINC000409250930 556636407 /nfs/dbraw/zinc/63/64/07/556636407.db2.gz OWNSNOQEYFTOKM-XDHOZWIPSA-N 0 0 433.420 4.265 40 5 IIBBRN O=c1c2cc3c(ccn(Cc4ccccc4Cl)c3=O)nc2ccn1Cc1ccccc1 ZINC000040398769 556640587 /nfs/dbraw/zinc/64/05/87/556640587.db2.gz VGYZPYASIJFGFN-UHFFFAOYSA-N 0 0 427.891 4.461 40 5 IIBBRN O=c1c2cc3c(ccn(-c4cc(Cl)cc(Cl)c4)c3=O)nc2ccn1Cc1cccnc1 ZINC000040398713 556640593 /nfs/dbraw/zinc/64/05/93/556640593.db2.gz ZHYHJQWHRWNSSL-UHFFFAOYSA-N 0 0 449.297 4.451 40 5 IIBBRN C[C@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 ZINC000408996731 556912422 /nfs/dbraw/zinc/91/24/22/556912422.db2.gz AIDBMSZNZCQAIY-HSQYWUDLSA-N 0 0 439.512 4.127 40 5 IIBBRN COc1cc(OCC(=O)NCCSCc2c(Cl)cccc2Cl)ccc1[N+](=O)[O-] ZINC000219822015 556917864 /nfs/dbraw/zinc/91/78/64/556917864.db2.gz WNQDBVVOPOQBKJ-UHFFFAOYSA-N 0 0 445.324 4.339 40 5 IIBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)OC(C)C)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409152825 556978562 /nfs/dbraw/zinc/97/85/62/556978562.db2.gz KDADIPQKMUNEDQ-NVMNQCDNSA-N 0 0 444.465 4.460 40 5 IIBBRN O=C(CSCC(=O)Nc1ccccc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000409175788 556985676 /nfs/dbraw/zinc/98/56/76/556985676.db2.gz UWWDTMSFKIYJJZ-UHFFFAOYSA-N 0 0 428.495 4.029 40 5 IIBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409176421 556985909 /nfs/dbraw/zinc/98/59/09/556985909.db2.gz MVLDISIVUOQWSG-UHFFFAOYSA-N 0 0 433.416 4.091 40 5 IIBBRN CCc1ccc(N2C(=O)c3ccc(C(=O)OCc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1 ZINC000409178105 556986854 /nfs/dbraw/zinc/98/68/54/556986854.db2.gz GJIDTQIKDWVQOY-UHFFFAOYSA-N 0 0 430.416 4.315 40 5 IIBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=C1/N=C(c2ccco2)OC1=O ZINC000409192228 556992129 /nfs/dbraw/zinc/99/21/29/556992129.db2.gz BLYVFHROZDZQNA-ZXJFHEOESA-N 0 0 430.372 4.151 40 5 IIBBRN CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000409199252 556998527 /nfs/dbraw/zinc/99/85/27/556998527.db2.gz AQYHHXXSKHUPLB-RQZCQDPDSA-N 0 0 430.438 4.090 40 5 IIBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000409213715 557008146 /nfs/dbraw/zinc/00/81/46/557008146.db2.gz VAGUOMUHEBFGOI-GZTJUZNOSA-N 0 0 430.438 4.234 40 5 IIBBRN O=C(CN1C(=O)SC(=Cc2ccc(Br)c([N+](=O)[O-])c2)C1=O)c1ccccc1 ZINC000409224756 557013507 /nfs/dbraw/zinc/01/35/07/557013507.db2.gz LQUOZCVVWKJSRX-SXGWCWSVSA-N 0 0 447.266 4.277 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)o1 ZINC000205764285 557091949 /nfs/dbraw/zinc/09/19/49/557091949.db2.gz KUNSRNPVZSRREA-RQZCQDPDSA-N 0 0 430.438 4.151 40 5 IIBBRN Cc1ccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1Cl ZINC000220366384 557121169 /nfs/dbraw/zinc/12/11/69/557121169.db2.gz NFPMZRXPILFTHQ-NSHDSACASA-N 0 0 446.312 4.003 40 5 IIBBRN CS(=O)(=O)N(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000222381660 557336770 /nfs/dbraw/zinc/33/67/70/557336770.db2.gz JWTSYVBZGOXWBO-UHFFFAOYSA-N 0 0 446.312 4.087 40 5 IIBBRN O=C(Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1 ZINC000072229365 557343560 /nfs/dbraw/zinc/34/35/60/557343560.db2.gz KORVBBARMWOYOT-UHFFFAOYSA-N 0 0 440.681 4.100 40 5 IIBBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1Cl ZINC000102710658 557367970 /nfs/dbraw/zinc/36/79/70/557367970.db2.gz ZQCIRMREFLSTAI-NJYVYQBISA-N 0 0 449.850 4.299 40 5 IIBBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccccc2Cl)C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000102736758 557371209 /nfs/dbraw/zinc/37/12/09/557371209.db2.gz ZZNCQVJBBNCZSD-NJYVYQBISA-N 0 0 449.850 4.299 40 5 IIBBRN Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102737711 557371232 /nfs/dbraw/zinc/37/12/32/557371232.db2.gz UEWFDSYOPMVXMZ-BHIFYINESA-N 0 0 447.422 4.093 40 5 IIBBRN CCOc1c(I)cc(CNc2cccc([N+](=O)[O-])c2)cc1OC ZINC000408560265 557416822 /nfs/dbraw/zinc/41/68/22/557416822.db2.gz YHLZRIDAXLWMSZ-UHFFFAOYSA-N 0 0 428.226 4.219 40 5 IIBBRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000408563768 557417080 /nfs/dbraw/zinc/41/70/80/557417080.db2.gz PGMQFAWSRVIDIR-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OC)c(Cl)c2)cc1 ZINC000408574540 557419654 /nfs/dbraw/zinc/41/96/54/557419654.db2.gz VDPDHCCGMQKLRB-GOSISDBHSA-N 0 0 434.905 4.356 40 5 IIBBRN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000408605649 557421333 /nfs/dbraw/zinc/42/13/33/557421333.db2.gz MQFOYCGGPMHRCM-CFFMAPQLSA-N 0 0 429.473 4.144 40 5 IIBBRN CCN(CC)C(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000408606788 557421341 /nfs/dbraw/zinc/42/13/41/557421341.db2.gz PZYCGGJBBQPNCM-GOSISDBHSA-N 0 0 448.932 4.169 40 5 IIBBRN Cc1nc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1I ZINC000014272428 557431902 /nfs/dbraw/zinc/43/19/02/557431902.db2.gz KCPLHBYPUHNGIW-XVNBXDOJSA-N 0 0 443.628 4.208 40 5 IIBBRN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000019636426 557502789 /nfs/dbraw/zinc/50/27/89/557502789.db2.gz ZQEMBWCVHKJRRU-OAHLLOKOSA-N 0 0 442.541 4.072 40 5 IIBBRN Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1[C@@H](c1ccccc1[N+](=O)[O-])SC(=N)N2 ZINC000016958343 563021230 /nfs/dbraw/zinc/02/12/30/563021230.db2.gz QBZPGNXXOLBQBP-MRXNPFEDSA-N 0 0 427.873 4.224 40 5 IIBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222509090 568649623 /nfs/dbraw/zinc/64/96/23/568649623.db2.gz PZASPXBIYGFQOV-LJQANCHMSA-N 0 0 431.920 4.123 40 5 IIBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223032172 568775754 /nfs/dbraw/zinc/77/57/54/568775754.db2.gz VYYJKOTUZMSARC-CVEARBPZSA-N 0 0 431.920 4.123 40 5 IIBBRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223685139 568876488 /nfs/dbraw/zinc/87/64/88/568876488.db2.gz DABFDZXUKIQBOZ-OAHLLOKOSA-N 0 0 449.960 4.035 40 5 IIBBRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223728702 568876849 /nfs/dbraw/zinc/87/68/49/568876849.db2.gz QJZNOFYUCNMDMM-HNNXBMFYSA-N 0 0 449.960 4.035 40 5 IIBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223809726 568877224 /nfs/dbraw/zinc/87/72/24/568877224.db2.gz NUUNHDKZYJSRDS-HXUWFJFHSA-N 0 0 429.492 4.000 40 5 IIBBRN COc1ccc(Nc2nc(C)nc(Nc3ccc(OC)cc3OC)c2[N+](=O)[O-])c(OC)c1 ZINC000016363245 568878635 /nfs/dbraw/zinc/87/86/35/568878635.db2.gz RFDULWQNGHYPIY-UHFFFAOYSA-N 0 0 441.444 4.215 40 5 IIBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224158408 568907830 /nfs/dbraw/zinc/90/78/30/568907830.db2.gz BPWXCDUPNLPGTB-QFIPXVFZSA-N 0 0 437.540 4.312 40 5 IIBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000224538020 568937518 /nfs/dbraw/zinc/93/75/18/568937518.db2.gz UXGHVNPOSLERKX-UHFFFAOYSA-N 0 0 449.847 4.440 40 5 IIBBRN CCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)cc1[N+](=O)[O-] ZINC000016693020 568938035 /nfs/dbraw/zinc/93/80/35/568938035.db2.gz ZZRDNKUXTLWFKP-UHFFFAOYSA-N 0 0 436.902 4.383 40 5 IIBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224557404 568939870 /nfs/dbraw/zinc/93/98/70/568939870.db2.gz CKBXKHREOQBQHI-NRFANRHFSA-N 0 0 425.529 4.025 40 5 IIBBRN CCOc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1[N+](=O)[O-] ZINC000017097437 569173054 /nfs/dbraw/zinc/17/30/54/569173054.db2.gz ZUBKCLARNOWBSI-UHFFFAOYSA-N 0 0 431.404 4.046 40 5 IIBBRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1C ZINC000017101905 569173803 /nfs/dbraw/zinc/17/38/03/569173803.db2.gz XFXYFGCRXNBLHX-UHFFFAOYSA-N 0 0 438.303 4.110 40 5 IIBBRN O=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000009062362 569219501 /nfs/dbraw/zinc/21/95/01/569219501.db2.gz KJQIHBZYUSVKAI-UHFFFAOYSA-N 0 0 443.419 4.078 40 5 IIBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1ccc(Cl)cc1 ZINC000015270774 569225424 /nfs/dbraw/zinc/22/54/24/569225424.db2.gz BRIVQECXEFWVLC-UHFFFAOYSA-N 0 0 447.904 4.266 40 5 IIBBRN S=C(Oc1ccc2nc3[nH]c4ccccc4c3nc2c1)N1CCN(c2ccccn2)CC1 ZINC000038206890 569259097 /nfs/dbraw/zinc/25/90/97/569259097.db2.gz YGHFGKNEUHSVLP-UHFFFAOYSA-N 0 0 440.532 4.145 40 5 IIBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225152883 569266260 /nfs/dbraw/zinc/26/62/60/569266260.db2.gz MAQCNTJTEKJRMB-KRWDZBQOSA-N 0 0 441.503 4.143 40 5 IIBBRN Cc1c(C(=O)Nc2cccc(Cl)c2N2CCN(C(=O)C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000008904394 569292176 /nfs/dbraw/zinc/29/21/76/569292176.db2.gz PMEAUCNTZFGIEP-UHFFFAOYSA-N 0 0 444.919 4.114 40 5 IIBBRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 ZINC000008902817 569292218 /nfs/dbraw/zinc/29/22/18/569292218.db2.gz MHGJBJVQRKHYND-UHFFFAOYSA-N 0 0 438.421 4.067 40 5 IIBBRN COc1ccc([C@H]2[C@@H]([N+](=O)[O-])[C@@H]3c4ccccc4C=NN3[C@@H]2C(=O)c2ccccc2)cc1 ZINC000008970892 569292692 /nfs/dbraw/zinc/29/26/92/569292692.db2.gz BXQZNEAZIRJQPO-XQUALCHDSA-N 0 0 427.460 4.080 40 5 IIBBRN COc1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1Cl ZINC000009064645 569293271 /nfs/dbraw/zinc/29/32/71/569293271.db2.gz HSJFWJZYVJAMHL-UHFFFAOYSA-N 0 0 448.932 4.374 40 5 IIBBRN O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Oc2ccccc2Cl)c1 ZINC000013303406 569312841 /nfs/dbraw/zinc/31/28/41/569312841.db2.gz QNGZJXHDACQHFX-UHFFFAOYSA-N 0 0 432.841 4.268 40 5 IIBBRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(OCC)c([N+](=O)[O-])c2)cc1 ZINC000022527965 569403389 /nfs/dbraw/zinc/40/33/89/569403389.db2.gz UTRHQZSCXMIQEV-UHFFFAOYSA-N 0 0 449.463 4.412 40 5 IIBBRN COc1ccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2ccc(C)cc2)cc1 ZINC000003187457 569441375 /nfs/dbraw/zinc/44/13/75/569441375.db2.gz CGDUYXHVCQIWQE-PXLXIMEGSA-N 0 0 431.448 4.321 40 5 IIBBRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000218054342 569456146 /nfs/dbraw/zinc/45/61/46/569456146.db2.gz ZFBQUKQOKNDRTC-UHFFFAOYSA-N 0 0 432.889 4.190 40 5 IIBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1c3ccccc3C2(Cl)c2ccccc21 ZINC000059418747 569461275 /nfs/dbraw/zinc/46/12/75/569461275.db2.gz OCLSQCMVRCDUIH-CAZKKTPXSA-N 0 0 430.847 4.342 40 5 IIBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000059418746 569461309 /nfs/dbraw/zinc/46/13/09/569461309.db2.gz OCLSQCMVRCDUIH-ISQHLFTMSA-N 0 0 430.847 4.342 40 5 IIBBRN CCN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2cccc([N+](=O)[O-])c2)S1(=O)=O ZINC000219185426 569461902 /nfs/dbraw/zinc/46/19/02/569461902.db2.gz ROYIZPVQMKTAEE-UHFFFAOYSA-N 0 0 449.488 4.163 40 5 IIBBRN O=C(Nc1ccnc2c3ccccc3ccc12)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000040384372 569500850 /nfs/dbraw/zinc/50/08/50/569500850.db2.gz XWYVKDGVRKSDAM-UHFFFAOYSA-N 0 0 431.517 4.425 40 5 IIBBRN CCOC(=O)C1CCN(c2ncnc(Nc3cc(Cl)cc(Cl)c3)c2[N+](=O)[O-])CC1 ZINC000040587980 569509840 /nfs/dbraw/zinc/50/98/40/569509840.db2.gz PROVZJJGXMIQKX-UHFFFAOYSA-N 0 0 440.287 4.215 40 5 IIBBRN C=CC(=O)N1CCc2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnn(C)c6)cc5c43)cc21 ZINC000205121364 569583079 /nfs/dbraw/zinc/58/30/79/569583079.db2.gz RTRNJQOBEOISFQ-UHFFFAOYSA-N 0 0 447.498 4.015 40 5 IIBBRN CCCCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCC)c3)CC2)cc1 ZINC000013633029 132352191 /nfs/dbraw/zinc/35/21/91/132352191.db2.gz FUMQTCCUWRHOGI-UHFFFAOYSA-N 0 0 426.517 4.168 40 5 IIBBRN Cc1ccc(-c2noc(CN(C(=O)COc3ccc([N+](=O)[O-])c(C)c3)C(C)(C)C)n2)cc1 ZINC000022257319 525877837 /nfs/dbraw/zinc/87/78/37/525877837.db2.gz UFPDLADQSPOHKL-UHFFFAOYSA-N 0 0 438.484 4.468 40 5 IIBBRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000015438733 556527921 /nfs/dbraw/zinc/52/79/21/556527921.db2.gz JBYUOVBNVJJMLN-UHFFFAOYSA-N 0 0 431.857 4.301 40 5 IIBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O ZINC000408689261 556616308 /nfs/dbraw/zinc/61/63/08/556616308.db2.gz YADHOIUNMCFOMU-UHFFFAOYSA-N 0 0 435.823 4.102 40 5 IIBBRN O=C(N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCCC1)OCc1ccccc1 ZINC000408738677 556618895 /nfs/dbraw/zinc/61/88/95/556618895.db2.gz USPFWHFVYBRVJB-JOCHJYFZSA-N 0 0 439.512 4.271 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC(C)C ZINC000408736990 556619220 /nfs/dbraw/zinc/61/92/20/556619220.db2.gz KOECSMORKGXLAE-NRFANRHFSA-N 0 0 438.484 4.317 40 5 IIBBRN CCc1cc2cc3c(cc2nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C)OCO3 ZINC000013503600 556630561 /nfs/dbraw/zinc/63/05/61/556630561.db2.gz BSJXSEXQEHJSKM-UHFFFAOYSA-N 0 0 425.466 4.473 40 5 IIBBRN CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C)c(C)cc3[N+](=O)[O-])o2)C1=O ZINC000409161763 556632291 /nfs/dbraw/zinc/63/22/91/556632291.db2.gz ZFRVGWMSHHTRES-MFOYZWKCSA-N 0 0 430.438 4.071 40 5 IIBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3cccc([N+](=O)[O-])c3C)cc2)cc1 ZINC000409177262 556633083 /nfs/dbraw/zinc/63/30/83/556633083.db2.gz GAHQYUBKHARGCT-UHFFFAOYSA-N 0 0 433.416 4.471 40 5 IIBBRN O=C1N/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 ZINC000409231211 556635705 /nfs/dbraw/zinc/63/57/05/556635705.db2.gz IMVVAXLHQPMNSK-DEDYPNTBSA-N 0 0 429.432 4.267 40 5 IIBBRN CCN(CC)C(=O)[C@@H]1CCCN(C(=O)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)C1 ZINC000408987218 556909780 /nfs/dbraw/zinc/90/97/80/556909780.db2.gz AVTZAIBHQNGQOZ-MRXNPFEDSA-N 0 0 444.539 4.377 40 5 IIBBRN Cc1ccc(N2C(=O)c3ccc(C(=O)OCc4cccc([N+](=O)[O-])c4)cc3C2=O)c(C)c1 ZINC000409180098 556988970 /nfs/dbraw/zinc/98/89/70/556988970.db2.gz WMARTPJUKADQOQ-UHFFFAOYSA-N 0 0 430.416 4.369 40 5 IIBBRN O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])c2)o1 ZINC000409180696 556989147 /nfs/dbraw/zinc/98/91/47/556989147.db2.gz YSWQVRSWOZYERN-UHFFFAOYSA-N 0 0 428.784 4.116 40 5 IIBBRN Cc1ccc(Sc2ccc(C=Cc3nc(O)c([N+](=O)[O-])c(O)n3)cc2[N+](=O)[O-])cc1 ZINC000409348593 557076553 /nfs/dbraw/zinc/07/65/53/557076553.db2.gz NPLXGJDIADRFFZ-WEVVVXLNSA-N 0 0 426.410 4.334 40 5 IIBBRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2Cl)CC1 ZINC000021123904 557135661 /nfs/dbraw/zinc/13/56/61/557135661.db2.gz RHPHQKXJCQUZAG-UHFFFAOYSA-N 0 0 444.919 4.195 40 5 IIBBRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000021124614 557136267 /nfs/dbraw/zinc/13/62/67/557136267.db2.gz JXXGUQHLULBCAZ-UHFFFAOYSA-N 0 0 444.919 4.195 40 5 IIBBRN O=[N+]([O-])c1ccc(SCCSc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000100937265 557202366 /nfs/dbraw/zinc/20/23/66/557202366.db2.gz HZRDKVBQLVSVHL-UHFFFAOYSA-N 0 0 426.388 4.204 40 5 IIBBRN Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101092701 557243233 /nfs/dbraw/zinc/24/32/33/557243233.db2.gz UEWFDSYOPMVXMZ-FSSWDIPSSA-N 0 0 447.422 4.093 40 5 IIBBRN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)N[C@H]1CCCC[C@H]1C ZINC000408605655 557421369 /nfs/dbraw/zinc/42/13/69/557421369.db2.gz MQFOYCGGPMHRCM-JCECQIOLSA-N 0 0 429.473 4.144 40 5 IIBBRN Cn1c(COc2cccc3ccccc32)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000408597160 557421613 /nfs/dbraw/zinc/42/16/13/557421613.db2.gz XSOFTFOFVIJQKZ-UHFFFAOYSA-N 0 0 434.477 4.431 40 5 IIBBRN CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2Cl)CC1 ZINC000014273438 557433000 /nfs/dbraw/zinc/43/30/00/557433000.db2.gz ZGUIGPYGXVCRME-UHFFFAOYSA-N 0 0 444.919 4.258 40 5 IIBBRN CCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000014273489 557433240 /nfs/dbraw/zinc/43/32/40/557433240.db2.gz LHAKWAYYAAZJFN-UHFFFAOYSA-N 0 0 448.479 4.166 40 5 IIBBRN Cc1cccc(CN2C(=O)S/C(=C\c3ccc(SCCO)c([N+](=O)[O-])c3)C2=O)c1 ZINC000106707378 557531587 /nfs/dbraw/zinc/53/15/87/557531587.db2.gz LRCIRPNDJJFVHK-WQRHYEAKSA-N 0 0 430.507 4.224 40 5 IIBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222558028 568652932 /nfs/dbraw/zinc/65/29/32/568652932.db2.gz HOSZGIYZFGIZRF-LJQANCHMSA-N 0 0 431.920 4.123 40 5 IIBBRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223146665 568780370 /nfs/dbraw/zinc/78/03/70/568780370.db2.gz OADIBNZJGUJAMW-INIZCTEOSA-N 0 0 431.920 4.124 40 5 IIBBRN Cc1cccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)c1C ZINC000059176123 568780396 /nfs/dbraw/zinc/78/03/96/568780396.db2.gz CHGBSGDPOAVNTP-UHFFFAOYSA-N 0 0 428.470 4.213 40 5 IIBBRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223153531 568781761 /nfs/dbraw/zinc/78/17/61/568781761.db2.gz DDZKENNCGDUTEI-LJQANCHMSA-N 0 0 449.960 4.035 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000223596804 568875740 /nfs/dbraw/zinc/87/57/40/568875740.db2.gz DWXDVLHFFBYLJA-UHFFFAOYSA-N 0 0 444.513 4.071 40 5 IIBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223611601 568875896 /nfs/dbraw/zinc/87/58/96/568875896.db2.gz WGJFBZNIRCAAPP-NRFANRHFSA-N 0 0 425.529 4.169 40 5 IIBBRN Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1[N+](=O)[O-] ZINC000006280875 568881733 /nfs/dbraw/zinc/88/17/33/568881733.db2.gz OESUYMSSJBJPNE-UHFFFAOYSA-N 0 0 446.492 4.277 40 5 IIBBRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224138045 568906502 /nfs/dbraw/zinc/90/65/02/568906502.db2.gz UOKYSIXBXLNFJY-OAQYLSRUSA-N 0 0 443.569 4.080 40 5 IIBBRN CN(c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224271217 568917103 /nfs/dbraw/zinc/91/71/03/568917103.db2.gz FVOKQYYWVZAKGB-UHFFFAOYSA-N 0 0 445.884 4.326 40 5 IIBBRN CN1C[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000036550901 569117421 /nfs/dbraw/zinc/11/74/21/569117421.db2.gz NIYHWFXNKHYQTN-UWUFEASWSA-N 0 0 445.450 4.110 40 5 IIBBRN COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1cc(Cl)cc(Cl)c1OC ZINC000017096748 569172864 /nfs/dbraw/zinc/17/28/64/569172864.db2.gz JZUIBBWOAIAGAG-UHFFFAOYSA-N 0 0 430.269 4.046 40 5 IIBBRN CC(C)Oc1cccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000017101253 569173359 /nfs/dbraw/zinc/17/33/59/569173359.db2.gz UFZHGHMNDXTELV-UHFFFAOYSA-N 0 0 437.418 4.363 40 5 IIBBRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000017099481 569173574 /nfs/dbraw/zinc/17/35/74/569173574.db2.gz UCTRXRDLKVTBCP-UHFFFAOYSA-N 0 0 435.436 4.022 40 5 IIBBRN COc1ccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] ZINC000017098649 569173777 /nfs/dbraw/zinc/17/37/77/569173777.db2.gz ZDUFJLPHPBCQCR-UHFFFAOYSA-N 0 0 433.795 4.402 40 5 IIBBRN Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)NC2CCCCC2)c1 ZINC000224707241 569182003 /nfs/dbraw/zinc/18/20/03/569182003.db2.gz WOVMZKFFQPLHKU-IBGZPJMESA-N 0 0 437.540 4.312 40 5 IIBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225700345 569188613 /nfs/dbraw/zinc/18/86/13/569188613.db2.gz ZGSQNXVUGKZABS-NRFANRHFSA-N 0 0 443.569 4.160 40 5 IIBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224821483 569188922 /nfs/dbraw/zinc/18/89/22/569188922.db2.gz MZVPMOYYARXICJ-QGZVFWFLSA-N 0 0 441.503 4.143 40 5 IIBBRN CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000009062469 569219662 /nfs/dbraw/zinc/21/96/62/569219662.db2.gz YOUGKAYCEQXWGR-UHFFFAOYSA-N 0 0 425.470 4.350 40 5 IIBBRN CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000107930647 569251744 /nfs/dbraw/zinc/25/17/44/569251744.db2.gz QRBXNXYUXJSSAB-UHFFFAOYSA-N 0 0 426.498 4.377 40 5 IIBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225226683 569274534 /nfs/dbraw/zinc/27/45/34/569274534.db2.gz VXUOODLISQXAQN-LJQANCHMSA-N 0 0 431.920 4.124 40 5 IIBBRN O=C1S/C(=C/c2ccc(O)c(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000215254980 569290189 /nfs/dbraw/zinc/29/01/89/569290189.db2.gz TWPGKCLHEPPHGS-OVCLIPMQSA-N 0 0 435.255 4.299 40 5 IIBBRN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008831859 569291085 /nfs/dbraw/zinc/29/10/85/569291085.db2.gz AVNPSZQKIHXYAX-UHFFFAOYSA-N 0 0 443.463 4.227 40 5 IIBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(CNc2cccc(Cl)c2)o1 ZINC000009058418 569293295 /nfs/dbraw/zinc/29/32/95/569293295.db2.gz QXMXDJFAJAZNAB-UHFFFAOYSA-N 0 0 433.877 4.283 40 5 IIBBRN CCOc1ccc(C(=O)Oc2ccc(O)c(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000019075484 569316350 /nfs/dbraw/zinc/31/63/50/569316350.db2.gz DRVWDUXHGUPPLI-UHFFFAOYSA-N 0 0 437.404 4.275 40 5 IIBBRN CC(C)Nc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329071410 569322977 /nfs/dbraw/zinc/32/29/77/569322977.db2.gz ZPEHLOPTYRKWPH-UHFFFAOYSA-N 0 0 447.417 4.227 40 5 IIBBRN CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000019636430 569324084 /nfs/dbraw/zinc/32/40/84/569324084.db2.gz ZQEMBWCVHKJRRU-HNNXBMFYSA-N 0 0 442.541 4.072 40 5 IIBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000019934239 569331976 /nfs/dbraw/zinc/33/19/76/569331976.db2.gz UOTKLEBHQFAKGK-UHFFFAOYSA-N 0 0 431.857 4.301 40 5 IIBBRN COc1ccc(Cl)cc1-c1nc(SCC(=O)Nc2c(C)cc(C)cc2[N+](=O)[O-])n[nH]1 ZINC000019929199 569332123 /nfs/dbraw/zinc/33/21/23/569332123.db2.gz CXZJAIAHUUWGHK-UHFFFAOYSA-N 0 0 447.904 4.390 40 5 IIBBRN COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)ccc1-c1ccc(CO)o1 ZINC000020143001 569335840 /nfs/dbraw/zinc/33/58/40/569335840.db2.gz XFAVYRCKWKTSGW-UHFFFAOYSA-N 0 0 437.452 4.208 40 5 IIBBRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000020142983 569336010 /nfs/dbraw/zinc/33/60/10/569336010.db2.gz FUJHCHOZRMAYJU-UHFFFAOYSA-N 0 0 437.452 4.208 40 5 IIBBRN Cc1cc(C)cc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 ZINC000022278304 569402655 /nfs/dbraw/zinc/40/26/55/569402655.db2.gz KEUSKVCUVHBFBE-UHFFFAOYSA-N 0 0 439.493 4.046 40 5 IIBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225558971 569404264 /nfs/dbraw/zinc/40/42/64/569404264.db2.gz PWULNGOHMQOXFM-NQIIRXRSSA-N 0 0 425.529 4.168 40 5 IIBBRN CCOc1ccc(C(=O)Nc2cc(C)c(I)c(C)c2)cc1[N+](=O)[O-] ZINC000057315599 569430696 /nfs/dbraw/zinc/43/06/96/569430696.db2.gz SPSZFWPIWIHVAP-UHFFFAOYSA-N 0 0 440.237 4.467 40 5 IIBBRN O=C1[C@H]2[C@H](C(=O)N1c1cccc(Cl)c1)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000059503321 569461645 /nfs/dbraw/zinc/46/16/45/569461645.db2.gz IAQOCUIOGPLLCD-YQORSWRPSA-N 0 0 430.847 4.125 40 5 IIBBRN CC(C)[C@@H](CO)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2ccccc2)n1 ZINC000328985658 569583249 /nfs/dbraw/zinc/58/32/49/569583249.db2.gz HTSVIVIADFPYCX-GOSISDBHSA-N 0 0 427.892 4.878 40 5 IIBBRN CC(C)Nc1cc(N2CCN(C(=O)c3ccccc3Br)CC2)ccc1[N+](=O)[O-] ZINC000010231822 132335079 /nfs/dbraw/zinc/33/50/79/132335079.db2.gz YODLRUPPTRDPID-UHFFFAOYSA-N 0 0 447.333 4.140 40 5 IIBBRN CC(=O)n1c(C2CCCCC2)nc2c1SC(c1ccc([N+](=O)[O-])cc1)=NN2C(C)=O ZINC000016777990 518498966 /nfs/dbraw/zinc/49/89/66/518498966.db2.gz CMLBQCFNHQKEJZ-UHFFFAOYSA-N 0 0 427.486 4.320 40 5 IIBBRN CCOc1ccccc1O[C@@H](c1ccccc1)[C@H](O)COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000022058637 521567999 /nfs/dbraw/zinc/56/79/99/521567999.db2.gz WDILXXVWAWRMBW-OFNKIYASSA-N 0 0 437.448 4.332 40 5 IIBBRN CC[C@H](C)N(Cc1nc(-c2ccc(C)cc2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000022257314 523944798 /nfs/dbraw/zinc/94/47/98/523944798.db2.gz HQCZBZGTHWFQNW-KRWDZBQOSA-N 0 0 438.484 4.468 40 5 IIBBRN Cc1cc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)ccc1[N+](=O)[O-] ZINC000022257359 525356293 /nfs/dbraw/zinc/35/62/93/525356293.db2.gz YTKDSSQLQODSNG-UHFFFAOYSA-N 0 0 444.875 4.423 40 5 IIBBRN O=C(COc1cccc2ccccc21)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000016545058 526980014 /nfs/dbraw/zinc/98/00/14/526980014.db2.gz AKIZCKWXRXLCHW-UHFFFAOYSA-N 0 0 425.872 4.129 40 5 IIBBRN CSc1nc2sc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2c(N2CCCC2)n1 ZINC000408620964 555989915 /nfs/dbraw/zinc/98/99/15/555989915.db2.gz NDYQHVXWAUQKLJ-UHFFFAOYSA-N 0 0 429.527 4.482 40 5 IIBBRN Cc1cccc(C2=N/C(=C\c3cccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3)C(=O)O2)c1 ZINC000408763150 556620063 /nfs/dbraw/zinc/62/00/63/556620063.db2.gz NQKWDZCOYDRRHW-STZFKDTASA-N 0 0 428.400 4.467 40 5 IIBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000409176987 556632527 /nfs/dbraw/zinc/63/25/27/556632527.db2.gz CZKRXXPVGSAXSZ-LZYBPNLTSA-N 0 0 431.857 4.232 40 5 IIBBRN O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000409175698 556633020 /nfs/dbraw/zinc/63/30/20/556633020.db2.gz AMYAJVSHFHQFMP-XMMPIXPASA-N 0 0 432.432 4.481 40 5 IIBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1/C=C1/N=C(c2ccco2)OC1=O ZINC000409194169 556633562 /nfs/dbraw/zinc/63/35/62/556633562.db2.gz NQVLTZPGAQCBLK-NJESZQPCSA-N 0 0 430.372 4.151 40 5 IIBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](C)Oc1ccccc1 ZINC000409328188 556637293 /nfs/dbraw/zinc/63/72/93/556637293.db2.gz PVCIVRHNYTXFSB-HNNXBMFYSA-N 0 0 441.513 4.385 40 5 IIBBRN O=c1c2cc3c(ccn(-c4cc(Cl)cc(Cl)c4)c3=O)nc2ccn1Cc1ccccn1 ZINC000040398712 556640598 /nfs/dbraw/zinc/64/05/98/556640598.db2.gz BTUYNOWIEMSIPB-UHFFFAOYSA-N 0 0 449.297 4.451 40 5 IIBBRN O=c1c2cc3c(ccn(-c4cc(Cl)cc(Cl)c4)c3=O)nc2ccn1C[C@H]1CCCO1 ZINC000040398720 556640638 /nfs/dbraw/zinc/64/06/38/556640638.db2.gz LNYWOCUAGZIZHW-MRXNPFEDSA-N 0 0 442.302 4.186 40 5 IIBBRN CC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)N2 ZINC000409099793 556954963 /nfs/dbraw/zinc/95/49/63/556954963.db2.gz UFOZJYYGQGXAGA-FRIZHTMISA-N 0 0 427.423 4.049 40 5 IIBBRN Cn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409128589 556966328 /nfs/dbraw/zinc/96/63/28/556966328.db2.gz SEJYXCXAKAXEBH-UHFFFAOYSA-N 0 0 438.296 4.428 40 5 IIBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000409179001 556987368 /nfs/dbraw/zinc/98/73/68/556987368.db2.gz MKFZJSCCBJDQGA-YVLHZVERSA-N 0 0 445.884 4.486 40 5 IIBBRN O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3)c2)o1 ZINC000409181130 556989427 /nfs/dbraw/zinc/98/94/27/556989427.db2.gz XIWSELWTOULILQ-UHFFFAOYSA-N 0 0 428.784 4.116 40 5 IIBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O ZINC000409181961 556989755 /nfs/dbraw/zinc/98/97/55/556989755.db2.gz HBJCBUNYVHQJFO-UHFFFAOYSA-N 0 0 436.807 4.406 40 5 IIBBRN CCC(=O)Oc1ccc(Br)cc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O ZINC000409193281 556992757 /nfs/dbraw/zinc/99/27/57/556992757.db2.gz INPLQEHGUUJOIA-GDNBJRDFSA-N 0 0 445.225 4.017 40 5 IIBBRN CCCCOC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O ZINC000409217535 557012274 /nfs/dbraw/zinc/01/22/74/557012274.db2.gz PURKYKKNGKBKDV-MLPAPPSSSA-N 0 0 433.269 4.281 40 5 IIBBRN O=C(CN1C(=O)SC(=Cc2cccc(Br)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409356830 557084473 /nfs/dbraw/zinc/08/44/73/557084473.db2.gz ODCCVTRVYFIECC-CXUHLZMHSA-N 0 0 447.266 4.277 40 5 IIBBRN CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000220735267 557365433 /nfs/dbraw/zinc/36/54/33/557365433.db2.gz SCGGUVQZLHGRPR-KRWDZBQOSA-N 0 0 439.921 4.048 40 5 IIBBRN CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000013879594 557392836 /nfs/dbraw/zinc/39/28/36/557392836.db2.gz USOJETRSHDRBMF-UHFFFAOYSA-N 0 0 441.513 4.133 40 5 IIBBRN CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(CC)c1-c1ccccc1 ZINC000408559683 557416509 /nfs/dbraw/zinc/41/65/09/557416509.db2.gz BAIHEBXGWSZCAW-MRCUWXFGSA-N 0 0 426.454 4.356 40 5 IIBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(OC)c1OC ZINC000408573687 557419563 /nfs/dbraw/zinc/41/95/63/557419563.db2.gz UBPPOOJYGIAQDD-LJQANCHMSA-N 0 0 444.513 4.020 40 5 IIBBRN Cc1ccc(N2C[C@H](C(=O)Nc3cc(C)c(Br)c(C)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408642395 557424477 /nfs/dbraw/zinc/42/44/77/557424477.db2.gz OMWBHVMHRXNKQD-CQSZACIVSA-N 0 0 446.301 4.274 40 5 IIBBRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)c(C)c3C)CC2=O)cc1[N+](=O)[O-] ZINC000408647827 557425274 /nfs/dbraw/zinc/42/52/74/557425274.db2.gz XOXIAKPGWFQVNO-CQSZACIVSA-N 0 0 446.301 4.274 40 5 IIBBRN Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000408667850 557426776 /nfs/dbraw/zinc/42/67/76/557426776.db2.gz RQJRLEPNWZVBNS-UHFFFAOYSA-N 0 0 427.638 4.115 40 5 IIBBRN CSc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)N1CCCCCC1 ZINC000026120251 557451165 /nfs/dbraw/zinc/45/11/65/557451165.db2.gz DWXZQEOUBHBQBK-UHFFFAOYSA-N 0 0 449.554 4.134 40 5 IIBBRN O=C(Nc1ccc(Br)cc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000014785115 557453097 /nfs/dbraw/zinc/45/30/97/557453097.db2.gz XJGAKLCVGNENQH-UHFFFAOYSA-N 0 0 440.681 4.100 40 5 IIBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OC(F)F ZINC000106729069 557531856 /nfs/dbraw/zinc/53/18/56/557531856.db2.gz POTBYOZESJTDID-SXGWCWSVSA-N 0 0 436.392 4.441 40 5 IIBBRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2C)cc1 ZINC000224209075 557575489 /nfs/dbraw/zinc/57/54/89/557575489.db2.gz JVABHGURWDWXFL-UHFFFAOYSA-N 0 0 439.493 4.289 40 5 IIBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225006217 557676575 /nfs/dbraw/zinc/67/65/75/557676575.db2.gz OAZSHOUYBUBQKE-QFIPXVFZSA-N 0 0 437.540 4.394 40 5 IIBBRN CC[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222517248 568650076 /nfs/dbraw/zinc/65/00/76/568650076.db2.gz KZPRHBDQUJYKQU-MRXNPFEDSA-N 0 0 446.312 4.085 40 5 IIBBRN CCc1cccc(CC)c1NC(=O)[C@@H](CC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222537538 568651726 /nfs/dbraw/zinc/65/17/26/568651726.db2.gz VNIMXSGPGHXVGH-LJQANCHMSA-N 0 0 447.557 4.211 40 5 IIBBRN CC[C@@H](C(=O)Nc1ccc(Cl)cc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222535518 568651766 /nfs/dbraw/zinc/65/17/66/568651766.db2.gz PKBPEDKNUDYPIE-KRWDZBQOSA-N 0 0 439.921 4.048 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000222666767 568657634 /nfs/dbraw/zinc/65/76/34/568657634.db2.gz IIZBSZAQPUYPEN-UHFFFAOYSA-N 0 0 439.921 4.050 40 5 IIBBRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223108514 568779670 /nfs/dbraw/zinc/77/96/70/568779670.db2.gz HIOTYAGIJHSFBT-IBGZPJMESA-N 0 0 449.960 4.035 40 5 IIBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223153476 568781754 /nfs/dbraw/zinc/78/17/54/568781754.db2.gz DDZKENNCGDUTEI-IBGZPJMESA-N 0 0 449.960 4.035 40 5 IIBBRN Cc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000001511033 568836097 /nfs/dbraw/zinc/83/60/97/568836097.db2.gz PFEABELKKUPOID-UHFFFAOYSA-N 0 0 429.432 4.112 40 5 IIBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000006194303 568876243 /nfs/dbraw/zinc/87/62/43/568876243.db2.gz RGCVASZPWOZBEF-UHFFFAOYSA-N 0 0 446.492 4.277 40 5 IIBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223815072 568877387 /nfs/dbraw/zinc/87/73/87/568877387.db2.gz LAXLETVXNFPNOK-MRXNPFEDSA-N 0 0 443.931 4.267 40 5 IIBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000224538088 568937492 /nfs/dbraw/zinc/93/74/92/568937492.db2.gz PNOCLKOUWCSWKZ-UHFFFAOYSA-N 0 0 449.847 4.440 40 5 IIBBRN CC(=O)n1c(-c2ccc(C)cc2)nc2c1SC(c1cccc([N+](=O)[O-])c1)=NN2C(C)=O ZINC000016777640 569161933 /nfs/dbraw/zinc/16/19/33/569161933.db2.gz LBHKGHNQCUYQHZ-UHFFFAOYSA-N 0 0 435.465 4.247 40 5 IIBBRN O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017096677 569172608 /nfs/dbraw/zinc/17/26/08/569172608.db2.gz OEHKCZXQCZNEFR-UHFFFAOYSA-N 0 0 429.782 4.356 40 5 IIBBRN O=C(NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000017097911 569173529 /nfs/dbraw/zinc/17/35/29/569173529.db2.gz GFBUSEQTXMDZJY-UHFFFAOYSA-N 0 0 432.461 4.208 40 5 IIBBRN CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224669277 569179080 /nfs/dbraw/zinc/17/90/80/569179080.db2.gz QMXJOYWTVTWJMK-SFHVURJKSA-N 0 0 443.569 4.080 40 5 IIBBRN Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224734701 569184195 /nfs/dbraw/zinc/18/41/95/569184195.db2.gz CQIBCFGXOLOULR-LJQANCHMSA-N 0 0 437.540 4.312 40 5 IIBBRN CCCC[C@H](CC)CNC(=O)CCCN(c1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O ZINC000224935806 569193677 /nfs/dbraw/zinc/19/36/77/569193677.db2.gz YKELDYFEIVDUNB-HNNXBMFYSA-N 0 0 447.985 4.127 40 5 IIBBRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000010332368 569223353 /nfs/dbraw/zinc/22/33/53/569223353.db2.gz IWLUNVOFRNNBSM-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000033622650 569245022 /nfs/dbraw/zinc/24/50/22/569245022.db2.gz ZSXBRZPUWJHPFB-UHFFFAOYSA-N 0 0 426.410 4.198 40 5 IIBBRN O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cc(Br)ccc1Cl ZINC000008902370 569292108 /nfs/dbraw/zinc/29/21/08/569292108.db2.gz YMZCFSIRGVVOKQ-UHFFFAOYSA-N 0 0 440.681 4.100 40 5 IIBBRN Cc1cc(C(=O)Nc2cccc(Cl)c2N2CCN(C(=O)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000008904401 569292194 /nfs/dbraw/zinc/29/21/94/569292194.db2.gz FAUFUCZTRBVSOQ-UHFFFAOYSA-N 0 0 444.919 4.114 40 5 IIBBRN Cn1c(COc2cccc3ccccc32)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000009059449 569293282 /nfs/dbraw/zinc/29/32/82/569293282.db2.gz PRAMTOOHSGGUAB-UHFFFAOYSA-N 0 0 449.492 4.186 40 5 IIBBRN Cc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)C2=O)c(C)c1 ZINC000009185426 569294069 /nfs/dbraw/zinc/29/40/69/569294069.db2.gz WKNBXXKEUJIMDM-ZLNRFVROSA-N 0 0 443.459 4.263 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 ZINC000010314670 569299635 /nfs/dbraw/zinc/29/96/35/569299635.db2.gz OIAHCSNIGIBGFF-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN Cc1cc(Br)ccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000010667062 569300584 /nfs/dbraw/zinc/30/05/84/569300584.db2.gz WYDIJEADJCGBAG-UHFFFAOYSA-N 0 0 427.638 4.115 40 5 IIBBRN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000013424514 569316129 /nfs/dbraw/zinc/31/61/29/569316129.db2.gz SXQVRZNBQIFZPM-UHFFFAOYSA-N 0 0 446.492 4.027 40 5 IIBBRN COc1ccc(-c2nc3cc(NC(=O)COc4ccccc4[N+](=O)[O-])ccc3o2)cc1OC ZINC000020412051 569363833 /nfs/dbraw/zinc/36/38/33/569363833.db2.gz SXSGIPWRNWZIJS-UHFFFAOYSA-N 0 0 449.419 4.438 40 5 IIBBRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000020529105 569371587 /nfs/dbraw/zinc/37/15/87/569371587.db2.gz ZGTXWRYMMGNRLC-UHFFFAOYSA-N 0 0 444.919 4.195 40 5 IIBBRN O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1[N+](=O)[O-])OCc1ccccc1 ZINC000002572680 569409755 /nfs/dbraw/zinc/40/97/55/569409755.db2.gz XXIJMZFDXMOASX-NRFANRHFSA-N 0 0 434.448 4.176 40 5 IIBBRN CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)C=Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000032114517 569460232 /nfs/dbraw/zinc/46/02/32/569460232.db2.gz QEPVLOQFJALUPP-VQHVLOKHSA-N 0 0 446.916 4.369 40 5 IIBBRN O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1F ZINC000032124759 569460300 /nfs/dbraw/zinc/46/03/00/569460300.db2.gz YMWFFUNQOWTMEV-YVLHZVERSA-N 0 0 434.470 4.055 40 5 IIBBRN CCOc1ccc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1[N+](=O)[O-] ZINC000032127256 569460387 /nfs/dbraw/zinc/46/03/87/569460387.db2.gz PQVINRDUISMUKF-UHFFFAOYSA-N 0 0 438.469 4.029 40 5 IIBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1(Cl)c3ccccc3C2c2ccccc21 ZINC000059418760 569461282 /nfs/dbraw/zinc/46/12/82/569461282.db2.gz KHLDBANMWNUTRJ-ISQHLFTMSA-N 0 0 430.847 4.342 40 5 IIBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000059418756 569461294 /nfs/dbraw/zinc/46/12/94/569461294.db2.gz MEMZBGHAQFNLRH-ZRDDSIGQSA-N 0 0 430.847 4.342 40 5 IIBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000059503326 569461613 /nfs/dbraw/zinc/46/16/13/569461613.db2.gz NPCPMPDUCVSLEO-ISQHLFTMSA-N 0 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O=C(N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1)OCc1ccccc1 ZINC000408738182 556619532 /nfs/dbraw/zinc/61/95/32/556619532.db2.gz QGNKOCKSQWGJBD-OAQYLSRUSA-N 0 0 437.427 4.210 40 5 IIBBRN C[C@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1)c1ccccc1 ZINC000409005078 556627744 /nfs/dbraw/zinc/62/77/44/556627744.db2.gz ZARRXFKZNWUASG-MBSDFSHPSA-N 0 0 447.491 4.310 40 5 IIBBRN CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000409179702 556632853 /nfs/dbraw/zinc/63/28/53/556632853.db2.gz NJCMJPQBWFAJHW-FPMFRTRJSA-N 0 0 442.446 4.479 40 5 IIBBRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000409183896 556633322 /nfs/dbraw/zinc/63/33/22/556633322.db2.gz UQWQPWVZZSVNAH-NTEUORMPSA-N 0 0 437.477 4.356 40 5 IIBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1c1cccc(Cl)c1 ZINC000409202145 556634251 /nfs/dbraw/zinc/63/42/51/556634251.db2.gz PIRPRVMZGSWCHW-WQRHYEAKSA-N 0 0 445.884 4.326 40 5 IIBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000409219098 556634945 /nfs/dbraw/zinc/63/49/45/556634945.db2.gz NFQRASHCIZKHPH-VAKHEIKFSA-N 0 0 430.438 4.233 40 5 IIBBRN Cc1cccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccccc2)c1 ZINC000409258985 556636193 /nfs/dbraw/zinc/63/61/93/556636193.db2.gz YRVOLPUTGYFURM-UHFFFAOYSA-N 0 0 439.493 4.046 40 5 IIBBRN CCN1C(=O)S/C(=C\c2cccc(OC)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000409366653 556638417 /nfs/dbraw/zinc/63/84/17/556638417.db2.gz UBWCSDGDIGLYSC-CXUHLZMHSA-N 0 0 445.409 4.360 40 5 IIBBRN COc1ccc(Cn2ccc3nc4ccn(Cc5ccc(C)cc5)c(=O)c4cc3c2=O)cc1 ZINC000040398802 556640652 /nfs/dbraw/zinc/64/06/52/556640652.db2.gz JVYSHYDDNSLCFN-UHFFFAOYSA-N 0 0 437.499 4.125 40 5 IIBBRN COc1ccc([N+](=O)[O-])cc1C=C1SC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O ZINC000409344960 557072224 /nfs/dbraw/zinc/07/22/24/557072224.db2.gz KIIAORUACBJZQS-RQZCQDPDSA-N 0 0 432.841 4.176 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000220434040 557155055 /nfs/dbraw/zinc/15/50/55/557155055.db2.gz MYUYMXIBVRYSOU-NSHDSACASA-N 0 0 446.312 4.003 40 5 IIBBRN CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 ZINC000100979729 557208942 /nfs/dbraw/zinc/20/89/42/557208942.db2.gz BAOOYJHBRZQXGB-VABKMULXSA-N 0 0 443.459 4.208 40 5 IIBBRN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4[N+](=O)[O-])N(c4ccccc4)O[C@@H]3C2=O)c(C)c1 ZINC000101237112 557263819 /nfs/dbraw/zinc/26/38/19/557263819.db2.gz IVBAGKFXHHRVFK-VJBWXMMDSA-N 0 0 443.459 4.263 40 5 IIBBRN COc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Br ZINC000014018622 557282555 /nfs/dbraw/zinc/28/25/55/557282555.db2.gz DLRRNESQDYBNDS-UHFFFAOYSA-N 0 0 444.694 4.146 40 5 IIBBRN CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000220703499 557364985 /nfs/dbraw/zinc/36/49/85/557364985.db2.gz NUZXBNKKLRHINF-INIZCTEOSA-N 0 0 446.312 4.085 40 5 IIBBRN CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102735686 557371166 /nfs/dbraw/zinc/37/11/66/557371166.db2.gz KQUUKWFYSLEOIV-XPWALMASSA-N 0 0 443.459 4.208 40 5 IIBBRN O=C1[C@@H]2[C@H](c3ccccc3[N+](=O)[O-])N(c3ccccc3)O[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102759321 557380897 /nfs/dbraw/zinc/38/08/97/557380897.db2.gz ZVQDMUNZKRPRMG-HKBOAZHASA-N 0 0 449.850 4.299 40 5 IIBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])c(OC)c2)nnc1-c1cccc(Cl)c1 ZINC000408559235 557416474 /nfs/dbraw/zinc/41/64/74/557416474.db2.gz YNWIFSKJGDYKCV-UHFFFAOYSA-N 0 0 447.904 4.266 40 5 IIBBRN COc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OC ZINC000408571614 557419918 /nfs/dbraw/zinc/41/99/18/557419918.db2.gz PGDRLZNASONLKK-SFHVURJKSA-N 0 0 434.905 4.356 40 5 IIBBRN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)N[C@@H]1CCCC[C@H]1C ZINC000408605658 557421377 /nfs/dbraw/zinc/42/13/77/557421377.db2.gz MQFOYCGGPMHRCM-RMPFSWKXSA-N 0 0 429.473 4.144 40 5 IIBBRN O=C(NC(=S)Nc1ccccc1Br)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014269925 557429193 /nfs/dbraw/zinc/42/91/93/557429193.db2.gz SNRBELRWMJEJQU-UHFFFAOYSA-N 0 0 449.330 4.084 40 5 IIBBRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000103718754 557440473 /nfs/dbraw/zinc/44/04/73/557440473.db2.gz DAZQBHVKWRYSKA-JTQLQIEISA-N 0 0 427.766 4.259 40 5 IIBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)OC(C)C)C2=O)o1 ZINC000106753994 557532225 /nfs/dbraw/zinc/53/22/25/557532225.db2.gz FEOMSKYFJKPJKF-MFOYZWKCSA-N 0 0 430.438 4.151 40 5 IIBBRN Cc1ccc(NC(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000015676036 560094656 /nfs/dbraw/zinc/09/46/56/560094656.db2.gz OFRROZNHFKWTIB-IBGZPJMESA-N 0 0 445.439 4.008 40 5 biogenic,in-vitro IIBBRN CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222532023 568651511 /nfs/dbraw/zinc/65/15/11/568651511.db2.gz PNICJUMWVAVVJF-LJQANCHMSA-N 0 0 433.530 4.210 40 5 IIBBRN O=C(Nc1cccc([N+](=O)[O-])c1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000026780027 568739033 /nfs/dbraw/zinc/73/90/33/568739033.db2.gz TVMCHVYHNPLSTH-UHFFFAOYSA-N 0 0 438.893 4.067 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000218516261 568759747 /nfs/dbraw/zinc/75/97/47/568759747.db2.gz YZFCYLRPLFCPHV-UHFFFAOYSA-N 0 0 431.514 4.029 40 5 IIBBRN C[C@@H]1Cc2cc(Br)cc3c2n1cc(C(=O)Nc1cccc([N+](=O)[O-])c1)c3=O ZINC000223106752 568779672 /nfs/dbraw/zinc/77/96/72/568779672.db2.gz PGRGDAYOYDZCBI-SNVBAGLBSA-N 0 0 428.242 4.042 40 5 IIBBRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223195344 568784740 /nfs/dbraw/zinc/78/47/40/568784740.db2.gz PIMBGEPODXRDLO-INIZCTEOSA-N 0 0 431.920 4.124 40 5 IIBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Sc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000006302303 568882713 /nfs/dbraw/zinc/88/27/13/568882713.db2.gz LETOVCGNRNZZOX-NSHDSACASA-N 0 0 444.538 4.199 40 5 IIBBRN O=C(Nc1ccccc1)Nc1cc([N+](=O)[O-])ccc1N(CCO)C(=O)Nc1ccccc1 ZINC000016489597 568915058 /nfs/dbraw/zinc/91/50/58/568915058.db2.gz XGNDPHWQCIKNCO-UHFFFAOYSA-N 0 0 435.440 4.270 40 5 IIBBRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224226940 568916550 /nfs/dbraw/zinc/91/65/50/568916550.db2.gz VVSMEXQFOJIQLO-NRFANRHFSA-N 0 0 443.569 4.080 40 5 IIBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224369286 568923529 /nfs/dbraw/zinc/92/35/29/568923529.db2.gz CXXBOVZFWVBGHF-OAQYLSRUSA-N 0 0 441.503 4.143 40 5 IIBBRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000016637132 568926802 /nfs/dbraw/zinc/92/68/02/568926802.db2.gz QPBIOGGQZFDEHV-UHFFFAOYSA-N 0 0 434.905 4.422 40 5 IIBBRN O=C(COC(=O)CCCOc1ccc(Cl)cc1Cl)Nc1cccc([N+](=O)[O-])c1 ZINC000138680409 569101620 /nfs/dbraw/zinc/10/16/20/569101620.db2.gz DZRHXVZQXVEVQY-UHFFFAOYSA-N 0 0 427.240 4.243 40 5 IIBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc(Br)c1 ZINC000017101104 569173728 /nfs/dbraw/zinc/17/37/28/569173728.db2.gz PGZZZFDDJJZQMK-UHFFFAOYSA-N 0 0 437.300 4.094 40 5 IIBBRN COc1ccc(S(=O)(=O)N(C)c2cc([N+](=O)[O-])ccc2Cl)c(Cl)c1Cl ZINC000224630757 569177108 /nfs/dbraw/zinc/17/71/08/569177108.db2.gz UDYLEOULTZKCOF-UHFFFAOYSA-N 0 0 425.677 4.389 40 5 IIBBRN CCOC(=O)CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225037546 569213519 /nfs/dbraw/zinc/21/35/19/569213519.db2.gz UYFSSDSEZZLALP-UHFFFAOYSA-N 0 0 440.477 4.020 40 5 IIBBRN Cc1cccc(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)c1 ZINC000009062361 569219458 /nfs/dbraw/zinc/21/94/58/569219458.db2.gz FARPADDJUMSPQN-UHFFFAOYSA-N 0 0 443.419 4.458 40 5 IIBBRN O=C(NC(=S)Nc1ccc(Br)cn1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000107627154 569250692 /nfs/dbraw/zinc/25/06/92/569250692.db2.gz QRXNFEBOEPSEKE-UHFFFAOYSA-N 0 0 447.270 4.139 40 5 IIBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O)Nc1cccc2ccccc21 ZINC000108923096 569253154 /nfs/dbraw/zinc/25/31/54/569253154.db2.gz GRGDWALIZLEZFA-XDHOZWIPSA-N 0 0 433.445 4.423 40 5 IIBBRN Cc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NCCc2ccccc2)cc1 ZINC000008809453 569290786 /nfs/dbraw/zinc/29/07/86/569290786.db2.gz RFKWLRUHBYPYBR-QJOMJCCJSA-N 0 0 429.476 4.033 40 5 IIBBRN Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000008831429 569290900 /nfs/dbraw/zinc/29/09/00/569290900.db2.gz DFYVGEXTUZCEDZ-UHFFFAOYSA-N 0 0 448.504 4.211 40 5 IIBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225495953 569304496 /nfs/dbraw/zinc/30/44/96/569304496.db2.gz GICXDTZHAALLIX-NQIIRXRSSA-N 0 0 425.529 4.168 40 5 IIBBRN O=C(CSc1nnc(COc2ccc3ccccc3c2)o1)Nc1ccccc1[N+](=O)[O-] ZINC000013401474 569315311 /nfs/dbraw/zinc/31/53/11/569315311.db2.gz CZIQHMJYFGBWEX-UHFFFAOYSA-N 0 0 436.449 4.441 40 5 IIBBRN Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)c1 ZINC000216060230 569423948 /nfs/dbraw/zinc/42/39/48/569423948.db2.gz QESHGYYGFKWRPP-UHFFFAOYSA-N 0 0 428.470 4.213 40 5 IIBBRN O=C(Oc1ccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000059463881 569461497 /nfs/dbraw/zinc/46/14/97/569461497.db2.gz LBZUODKREIWNGJ-NDENLUEZSA-N 0 0 432.363 4.298 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1=C(c2ccccc2)c2ccccc2N(C)S1(=O)=O ZINC000219179988 569461951 /nfs/dbraw/zinc/46/19/51/569461951.db2.gz FGVMNUXIPGGLMU-UHFFFAOYSA-N 0 0 449.488 4.081 40 5 IIBBRN COc1ccc(NC(=O)CSc2nnc3scc(-c4ccccc4)n23)c([N+](=O)[O-])c1 ZINC000012878570 524516959 /nfs/dbraw/zinc/51/69/59/524516959.db2.gz KTVGUIGTQAXYOI-UHFFFAOYSA-N 0 0 441.494 4.105 40 5 IIBBRN O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000020611555 527228084 /nfs/dbraw/zinc/22/80/84/527228084.db2.gz DDCGKWMWUOQRQS-UHFFFAOYSA-N 0 0 440.681 4.100 40 5 IIBBRN Cc1ccc2c(c1)oc1c2c([N+](=O)[O-])c(N2CCN(c3nc(C)cc(C)n3)CC2)nc1C ZINC000016348705 556602007 /nfs/dbraw/zinc/60/20/07/556602007.db2.gz MYENMBMPVUBQCH-UHFFFAOYSA-N 0 0 432.484 4.239 40 5 IIBBRN Cc1cccc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)c1 ZINC000408737819 556618883 /nfs/dbraw/zinc/61/88/83/556618883.db2.gz PBCJMGNJSUWKBP-QFIPXVFZSA-N 0 0 433.464 4.379 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCC(C)C ZINC000408736993 556619164 /nfs/dbraw/zinc/61/91/64/556619164.db2.gz KOECSMORKGXLAE-OAQYLSRUSA-N 0 0 438.484 4.317 40 5 IIBBRN C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 ZINC000408996732 556627414 /nfs/dbraw/zinc/62/74/14/556627414.db2.gz AIDBMSZNZCQAIY-WTNAPCKOSA-N 0 0 439.512 4.127 40 5 IIBBRN Cc1ccc(S(=O)(=O)NCCSCc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000409027088 556628318 /nfs/dbraw/zinc/62/83/18/556628318.db2.gz XYPXTQOPXJBDOR-UHFFFAOYSA-N 0 0 435.354 4.422 40 5 IIBBRN O=C(CN1C(=O)SC(=Cc2ccc([N+](=O)[O-])cc2)C1=O)c1ccc(Br)cc1 ZINC000409220075 556634628 /nfs/dbraw/zinc/63/46/28/556634628.db2.gz XWVBDDSXFPHQOW-CXUHLZMHSA-N 0 0 447.266 4.277 40 5 IIBBRN COc1ccccc1Cn1ccc2nc3ccn(CCc4ccccc4)c(=O)c3cc2c1=O ZINC000040398842 556640836 /nfs/dbraw/zinc/64/08/36/556640836.db2.gz OFMDJPYZNLSBGM-UHFFFAOYSA-N 0 0 437.499 4.011 40 5 IIBBRN O=c1c2cc3c(ccn(Cc4cccc(F)c4)c3=O)nc2ccn1CCc1ccccc1 ZINC000040398848 556640850 /nfs/dbraw/zinc/64/08/50/556640850.db2.gz UJVMZOXHIRRNKB-UHFFFAOYSA-N 0 0 425.463 4.142 40 5 IIBBRN O=C1[C@@H]2[C@H](c3cccc([N+](=O)[O-])c3)N(c3ccccc3)O[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000100712025 556655964 /nfs/dbraw/zinc/65/59/64/556655964.db2.gz OCOMGUVWMJYQJY-HKBOAZHASA-N 0 0 449.850 4.299 40 5 IIBBRN CCCNC(=O)/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccc(C)cc1 ZINC000013476238 556746575 /nfs/dbraw/zinc/74/65/75/556746575.db2.gz SUSVDPZAASCIHN-RCCKNPSSSA-N 0 0 433.464 4.460 40 5 IIBBRN COc1ccc(N(C)C(=S)Nc2ccc3nc4cc5c(cc4nc3c2)OCCO5)cc1 ZINC000408998140 556913250 /nfs/dbraw/zinc/91/32/50/556913250.db2.gz TTXVEBHZSSFLHK-UHFFFAOYSA-N 0 0 432.505 4.396 40 5 IIBBRN Cc1ccc(C)c(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 ZINC000409028569 556924836 /nfs/dbraw/zinc/92/48/36/556924836.db2.gz OZFFOIWOVUKMSM-UHFFFAOYSA-N 0 0 439.493 4.046 40 5 IIBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O ZINC000409074416 556946969 /nfs/dbraw/zinc/94/69/69/556946969.db2.gz ZIIATUKSTJEPTA-KOLYXTFFSA-N 0 0 436.829 4.106 40 5 IIBBRN CCN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)C1=O ZINC000409098401 556954132 /nfs/dbraw/zinc/95/41/32/556954132.db2.gz OQMMYAVGMWJWAD-RQZCQDPDSA-N 0 0 445.409 4.360 40 5 IIBBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000409160178 556978136 /nfs/dbraw/zinc/97/81/36/556978136.db2.gz WEIVGBAOECOROW-SXGWCWSVSA-N 0 0 431.857 4.232 40 5 IIBBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O ZINC000409174596 556985019 /nfs/dbraw/zinc/98/50/19/556985019.db2.gz VHCNTMLPOZVSKI-SXGWCWSVSA-N 0 0 431.857 4.232 40 5 IIBBRN CCc1ccccc1N1C(=O)c2ccc(C(=O)OCc3ccccc3[N+](=O)[O-])cc2C1=O ZINC000409181373 556989646 /nfs/dbraw/zinc/98/96/46/556989646.db2.gz BRSGEMJYUNMLEA-UHFFFAOYSA-N 0 0 430.416 4.315 40 5 IIBBRN CCCCc1ccc(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000220390445 557135191 /nfs/dbraw/zinc/13/51/91/557135191.db2.gz GKQSBJIZCYMDOX-INIZCTEOSA-N 0 0 433.530 4.039 40 5 IIBBRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2ccc(OCC)c([N+](=O)[O-])c2)cc1 ZINC000022527971 557224809 /nfs/dbraw/zinc/22/48/09/557224809.db2.gz JPBCRTGISOXHEG-UHFFFAOYSA-N 0 0 449.463 4.412 40 5 IIBBRN CCc1nc2sc3c(c2c(NCCNC(=O)c2ccc([N+](=O)[O-])cc2)n1)CC[C@H](C)C3 ZINC000013510224 557331922 /nfs/dbraw/zinc/33/19/22/557331922.db2.gz PDVMISSRQPYNQL-ZDUSSCGKSA-N 0 0 439.541 4.129 40 5 IIBBRN CCOc1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2CC)cc1 ZINC000014409763 557337109 /nfs/dbraw/zinc/33/71/09/557337109.db2.gz HVRRQSHUKSOVKB-UHFFFAOYSA-N 0 0 427.486 4.003 40 5 IIBBRN CCc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102735682 557371112 /nfs/dbraw/zinc/37/11/12/557371112.db2.gz KQUUKWFYSLEOIV-RJGXRXQPSA-N 0 0 443.459 4.208 40 5 IIBBRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000408570073 557417361 /nfs/dbraw/zinc/41/73/61/557417361.db2.gz YLNGUZXDQOHAAI-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1OC ZINC000408569875 557417582 /nfs/dbraw/zinc/41/75/82/557417582.db2.gz KBLPKNHUCLYVTG-FQEVSTJZSA-N 0 0 428.514 4.402 40 5 IIBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)c([N+](=O)[O-])c1 ZINC000408576389 557419062 /nfs/dbraw/zinc/41/90/62/557419062.db2.gz XTUDDXWFEPTDDP-UHFFFAOYSA-N 0 0 439.512 4.031 40 5 IIBBRN O=C(Nc1ccc(Br)c(Cl)c1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408638428 557423887 /nfs/dbraw/zinc/42/38/87/557423887.db2.gz CFSZAELYXYKPBV-JTQLQIEISA-N 0 0 438.665 4.002 40 5 IIBBRN CCc1cccc(CC)c1NC(=O)COC(=O)CCCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000408661027 557427341 /nfs/dbraw/zinc/42/73/41/557427341.db2.gz AOSIVTFEFHPTAI-UHFFFAOYSA-N 0 0 441.484 4.010 40 5 IIBBRN O=C(COC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000408665715 557427453 /nfs/dbraw/zinc/42/74/53/557427453.db2.gz WGXMYWZXYJRUEI-UHFFFAOYSA-N 0 0 447.447 4.222 40 5 IIBBRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000218223678 568740791 /nfs/dbraw/zinc/74/07/91/568740791.db2.gz FPJDHCISZOCCSQ-UHFFFAOYSA-N 0 0 445.884 4.082 40 5 IIBBRN CSc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1NC(=O)C(C)C ZINC000223413335 568826429 /nfs/dbraw/zinc/82/64/29/568826429.db2.gz DKJGNOCSEWWKIB-UHFFFAOYSA-N 0 0 443.934 4.365 40 5 IIBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000006194305 568876220 /nfs/dbraw/zinc/87/62/20/568876220.db2.gz HSRIMPSOOFXOJQ-UHFFFAOYSA-N 0 0 446.492 4.277 40 5 IIBBRN CCOP(=O)(OCC)O[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000001637905 568877099 /nfs/dbraw/zinc/87/70/99/568877099.db2.gz KAMNHDQESIZJNO-ROUUACIJSA-N 0 0 440.345 4.475 40 5 IIBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223832960 568877380 /nfs/dbraw/zinc/87/73/80/568877380.db2.gz LKUWDPMKOQLAAI-MRXNPFEDSA-N 0 0 443.931 4.267 40 5 IIBBRN CCOC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(C)c(OCc2ccccc2)c1[N+](=O)[O-] ZINC000001715272 568880235 /nfs/dbraw/zinc/88/02/35/568880235.db2.gz UTBWPWJQXGAJNI-LJQANCHMSA-N 0 0 428.485 4.190 40 5 IIBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224020036 568880720 /nfs/dbraw/zinc/88/07/20/568880720.db2.gz KBJKLSKRZIFBQW-OAHLLOKOSA-N 0 0 431.920 4.123 40 5 IIBBRN Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)c2)c1 ZINC000224137349 568906457 /nfs/dbraw/zinc/90/64/57/568906457.db2.gz ABPVXKFDWVOVCV-UHFFFAOYSA-N 0 0 439.493 4.289 40 5 IIBBRN O=C(CSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000006474720 568919842 /nfs/dbraw/zinc/91/98/42/568919842.db2.gz GQJLZBOFONVOSS-UHFFFAOYSA-N 0 0 447.476 4.279 40 5 IIBBRN CCN(Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccccc1 ZINC000224447588 568927554 /nfs/dbraw/zinc/92/75/54/568927554.db2.gz QRIXFJNXKATWJI-UHFFFAOYSA-N 0 0 439.493 4.058 40 5 IIBBRN CCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(OC)cc1 ZINC000006878529 569094449 /nfs/dbraw/zinc/09/44/49/569094449.db2.gz YKLCHPISJRKTJR-ZDUSSCGKSA-N 0 0 427.486 4.001 40 5 IIBBRN CCOc1ccc(C(=O)NC(=S)Nc2nc3c(cc(C)cc3C)s2)cc1[N+](=O)[O-] ZINC000017096975 569172930 /nfs/dbraw/zinc/17/29/30/569172930.db2.gz TZLSVAZCTCBMPZ-UHFFFAOYSA-N 0 0 430.511 4.347 40 5 IIBBRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000017099476 569173282 /nfs/dbraw/zinc/17/32/82/569173282.db2.gz IGFDDXNCYBOHPS-UHFFFAOYSA-N 0 0 435.436 4.022 40 5 IIBBRN CC[C@H](C)c1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000017097734 569173538 /nfs/dbraw/zinc/17/35/38/569173538.db2.gz MRAJQXHETYMLPK-INIZCTEOSA-N 0 0 431.920 4.489 40 5 IIBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224705912 569182061 /nfs/dbraw/zinc/18/20/61/569182061.db2.gz PDNQNSSNNXPFLS-HXUWFJFHSA-N 0 0 445.947 4.370 40 5 IIBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225137317 569218130 /nfs/dbraw/zinc/21/81/30/569218130.db2.gz NQPXYSQOXXYZNE-HOTGVXAUSA-N 0 0 431.920 4.123 40 5 IIBBRN Cc1c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cccc1[N+](=O)[O-] ZINC000108991980 569253441 /nfs/dbraw/zinc/25/34/41/569253441.db2.gz NBPHSVQPQBHWBK-UHFFFAOYSA-N 0 0 426.410 4.198 40 5 IIBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225174834 569271363 /nfs/dbraw/zinc/27/13/63/569271363.db2.gz MBQYIHPTBWVZGX-HZPDHXFCSA-N 0 0 431.920 4.123 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000008816583 569290774 /nfs/dbraw/zinc/29/07/74/569290774.db2.gz LFKRANQHWNYDOO-UHFFFAOYSA-N 0 0 449.504 4.004 40 5 IIBBRN COC(=O)c1c(C)c(C(=O)NC2CCCCC2)sc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000008926614 569292302 /nfs/dbraw/zinc/29/23/02/569292302.db2.gz CXTKGIXCMJCUIB-UHFFFAOYSA-N 0 0 445.497 4.066 40 5 IIBBRN CC(C)c1ccc(N2C[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3Br)CC2=O)cc1 ZINC000009231881 569294548 /nfs/dbraw/zinc/29/45/48/569294548.db2.gz GQQIHUMIAPQVFC-CQSZACIVSA-N 0 0 446.301 4.472 40 5 IIBBRN COc1cccc(OCc2nnc(SCC(=O)c3cc([N+](=O)[O-])ccc3Cl)o2)c1 ZINC000019927425 569331861 /nfs/dbraw/zinc/33/18/61/569331861.db2.gz WYWYUXWHVKOMDC-UHFFFAOYSA-N 0 0 435.845 4.194 40 5 IIBBRN COc1ccc(Cl)cc1-c1nc(SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])n[nH]1 ZINC000019929203 569332044 /nfs/dbraw/zinc/33/20/44/569332044.db2.gz HAGKMFDADBVVLG-UHFFFAOYSA-N 0 0 433.877 4.081 40 5 IIBBRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 ZINC000020411109 569363809 /nfs/dbraw/zinc/36/38/09/569363809.db2.gz BPYRJFZQWNLSDA-UHFFFAOYSA-N 0 0 438.421 4.067 40 5 IIBBRN O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000021124709 569376979 /nfs/dbraw/zinc/37/69/79/569376979.db2.gz OGDXSXRXYMQRTH-UHFFFAOYSA-N 0 0 432.421 4.273 40 5 IIBBRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c1 ZINC000021124232 569377085 /nfs/dbraw/zinc/37/70/85/569377085.db2.gz WYICBTUULYIHIY-ONEGZZNKSA-N 0 0 442.211 4.479 40 5 IIBBRN O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1nc(-c2ccccc2)cs1 ZINC000059212635 569460514 /nfs/dbraw/zinc/46/05/14/569460514.db2.gz NCRIZJSTZUVMLS-UHFFFAOYSA-N 0 0 439.478 4.499 40 5 IIBBRN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2([N+](=O)[O-])c4ccccc4C3c3ccccc32)cc1Cl ZINC000059503347 569461702 /nfs/dbraw/zinc/46/17/02/569461702.db2.gz SREIKTSNCSLKBG-YCIYHOANSA-N 0 0 444.874 4.433 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc2c(n1)[C@]1(C)CC[C@H]2C1(C)C ZINC000008435625 569464288 /nfs/dbraw/zinc/46/42/88/569464288.db2.gz MZCHETKOFCDYCU-YOEYROIRSA-N 0 0 427.530 4.382 40 5 IIBBRN O=C(COc1ccc(Cl)cc1)NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000016399998 569583545 /nfs/dbraw/zinc/58/35/45/569583545.db2.gz HSLPXICRXQDRJJ-UHFFFAOYSA-N 0 0 448.913 4.264 40 5 IIBBRN Cc1cc2sc(NC(=S)NC(=O)COc3ccccc3[N+](=O)[O-])nc2cc1Cl ZINC000016284256 569584015 /nfs/dbraw/zinc/58/40/15/569584015.db2.gz VGDUYPRVNTXJLY-UHFFFAOYSA-N 0 0 436.902 4.058 40 5 IIBBRN COc1ccc(OCCn2c3ccccc3nc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000924130 569584687 /nfs/dbraw/zinc/58/46/87/569584687.db2.gz QGIWNCHFRGIVOT-UHFFFAOYSA-N 0 0 432.436 4.284 40 5 IIBBRN CC[C@H](C)c1ccc(OCC(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 ZINC000016610520 522039460 /nfs/dbraw/zinc/03/94/60/522039460.db2.gz SDTABXCMXQPYSH-INIZCTEOSA-N 0 0 431.920 4.489 40 5 IIBBRN COc1cccc(-c2csc(-c3cc(NC(=O)c4ccccc4[N+](=O)[O-])n(C)n3)n2)c1 ZINC000035683047 525718135 /nfs/dbraw/zinc/71/81/35/525718135.db2.gz LCUJTCVOBWXTFQ-UHFFFAOYSA-N 0 0 435.465 4.380 40 5 IIBBRN O=C(COC(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000024522620 526915093 /nfs/dbraw/zinc/91/50/93/526915093.db2.gz VYLGTYWOYUUBGR-UHFFFAOYSA-N 0 0 429.388 4.352 40 5 IIBBRN COc1cc(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCCC3)ccc1[N+](=O)[O-] ZINC000408552750 555880585 /nfs/dbraw/zinc/88/05/85/555880585.db2.gz NMQSDLOIWLTWSQ-UHFFFAOYSA-N 0 0 442.419 4.022 40 5 IIBBRN O=C(c1ccccc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000408689792 556617216 /nfs/dbraw/zinc/61/72/16/556617216.db2.gz ZBJMFXXSFRQFHS-UHFFFAOYSA-N 0 0 435.823 4.102 40 5 IIBBRN Cc1ccc(C)c(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1 ZINC000408702881 556617696 /nfs/dbraw/zinc/61/76/96/556617696.db2.gz JMIIJLVOVSLMSU-UHFFFAOYSA-N 0 0 439.921 4.050 40 5 IIBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000408703202 556618011 /nfs/dbraw/zinc/61/80/11/556618011.db2.gz PRBYRUULFIUQJR-UHFFFAOYSA-N 0 0 437.905 4.065 40 5 IIBBRN Cc1ccc(-n2cccc2/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000409011629 556627408 /nfs/dbraw/zinc/62/74/08/556627408.db2.gz OAIJYIJLFLIXST-NDENLUEZSA-N 0 0 436.855 4.440 40 5 IIBBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C1=O ZINC000409009921 556627692 /nfs/dbraw/zinc/62/76/92/556627692.db2.gz ITEXFMHBNYDMIB-NJPLLEPOSA-N 0 0 430.438 4.151 40 5 IIBBRN CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])o2)cc1 ZINC000409167693 556632207 /nfs/dbraw/zinc/63/22/07/556632207.db2.gz JFPOTCQBASNBBA-UHFFFAOYSA-N 0 0 428.470 4.411 40 5 IIBBRN CCc1cc2cc3c(cc2nc1SCC(=O)Nc1ccccc1[N+](=O)[O-])OCCO3 ZINC000013503635 556633657 /nfs/dbraw/zinc/63/36/57/556633657.db2.gz SKDSOVWQZMVYQX-UHFFFAOYSA-N 0 0 425.466 4.207 40 5 IIBBRN Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C1=O)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000409374032 556638152 /nfs/dbraw/zinc/63/81/52/556638152.db2.gz WWTTWISUJKQRCE-LQDNNDEMSA-N 0 0 444.874 4.433 40 5 IIBBRN COc1ccc(CCn2ccc3nc4ccn(Cc5ccccc5)c(=O)c4cc3c2=O)cc1 ZINC000040398777 556640623 /nfs/dbraw/zinc/64/06/23/556640623.db2.gz ZXSVAVMHOUXAGC-UHFFFAOYSA-N 0 0 437.499 4.011 40 5 IIBBRN CCCCCCn1ccc2nc3ccn(-c4nc(C5CCCCC5)n[nH]4)c(=O)c3cc2c1=O ZINC000040399018 556641210 /nfs/dbraw/zinc/64/12/10/556641210.db2.gz ZYCCNQFLTPMPEK-UHFFFAOYSA-N 0 0 446.555 4.447 40 5 IIBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(C)=O ZINC000205699478 556889734 /nfs/dbraw/zinc/88/97/34/556889734.db2.gz JXOJPGDKRSTPGO-YBFXNURJSA-N 0 0 442.449 4.155 40 5 IIBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000409177721 556986696 /nfs/dbraw/zinc/98/66/96/556986696.db2.gz CIEIFGGSVQMZNC-UHFFFAOYSA-N 0 0 436.376 4.217 40 5 IIBBRN Cc1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(C)c1-c1ccc(Br)cc1 ZINC000409197283 556994951 /nfs/dbraw/zinc/99/49/51/556994951.db2.gz ANEDNMCOARYOLG-ZZEZOPTASA-N 0 0 432.299 4.474 40 5 IIBBRN Cc1ccccc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccccc1 ZINC000409261879 557040901 /nfs/dbraw/zinc/04/09/01/557040901.db2.gz DXSCWHHAOWOUSQ-UHFFFAOYSA-N 0 0 439.493 4.046 40 5 IIBBRN CCCCSC(C[C@@H](O)[C@H](O)COC(=O)c1ccc([N+](=O)[O-])cc1)SCCCC ZINC000004743044 557068629 /nfs/dbraw/zinc/06/86/29/557068629.db2.gz SQHJTFPCDMQCNV-QZTJIDSGSA-N 0 0 445.603 4.256 40 5 IIBBRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)CC1 ZINC000021123852 557135608 /nfs/dbraw/zinc/13/56/08/557135608.db2.gz WCNHQXMXRBCUGN-UHFFFAOYSA-N 0 0 444.919 4.195 40 5 IIBBRN CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000021578208 557152406 /nfs/dbraw/zinc/15/24/06/557152406.db2.gz DWOITLSEXCFOPI-UHFFFAOYSA-N 0 0 444.919 4.258 40 5 IIBBRN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000220717115 557364616 /nfs/dbraw/zinc/36/46/16/557364616.db2.gz RANZLLSCAHXXKD-KRWDZBQOSA-N 0 0 439.921 4.048 40 5 IIBBRN CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408563055 557418651 /nfs/dbraw/zinc/41/86/51/557418651.db2.gz TXKDIWQFOZYQCQ-MRCUWXFGSA-N 0 0 426.454 4.411 40 5 IIBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224595843 557628789 /nfs/dbraw/zinc/62/87/89/557628789.db2.gz JWJVHTSOKLQEAE-OAQYLSRUSA-N 0 0 425.529 4.025 40 5 IIBBRN Cn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 ZINC000000869907 557832004 /nfs/dbraw/zinc/83/20/04/557832004.db2.gz QOHDUPAOBDNHPA-UHFFFAOYSA-N 0 0 438.296 4.428 40 5 IIBBRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)c2)cc1 ZINC000015790592 568837980 /nfs/dbraw/zinc/83/79/80/568837980.db2.gz HSYLHGCWMKORPT-UHFFFAOYSA-N 0 0 439.493 4.289 40 5 IIBBRN Cc1ccc(C(C)C)c(OCC(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 ZINC000016291084 568875525 /nfs/dbraw/zinc/87/55/25/568875525.db2.gz PDWUIGGOHKYTRD-UHFFFAOYSA-N 0 0 431.920 4.408 40 5 IIBBRN Cc1ccc2c(cccc2NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000016348824 568877533 /nfs/dbraw/zinc/87/75/33/568877533.db2.gz HLGOAJNSURVTIL-UHFFFAOYSA-N 0 0 435.509 4.178 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccccc2)c1 ZINC000224295570 568917377 /nfs/dbraw/zinc/91/73/77/568917377.db2.gz FQVBKPPUOYPSCY-UHFFFAOYSA-N 0 0 439.493 4.289 40 5 IIBBRN Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2C)cc1 ZINC000224308694 568917599 /nfs/dbraw/zinc/91/75/99/568917599.db2.gz LYRMROCJZMOFPG-UHFFFAOYSA-N 0 0 439.493 4.289 40 5 IIBBRN Cc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000017094783 569172413 /nfs/dbraw/zinc/17/24/13/569172413.db2.gz NSJAKLAHUKWHBJ-UHFFFAOYSA-N 0 0 426.410 4.198 40 5 IIBBRN CC(C)COc1cccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1 ZINC000017096977 569172637 /nfs/dbraw/zinc/17/26/37/569172637.db2.gz YVWZXXSZGQOYQY-UHFFFAOYSA-N 0 0 430.511 4.366 40 5 IIBBRN Cc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc1Cl ZINC000017096159 569172970 /nfs/dbraw/zinc/17/29/70/569172970.db2.gz KLNPVZFCPFZDPR-UHFFFAOYSA-N 0 0 428.695 4.446 40 5 IIBBRN COc1cc2sc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3C)nc2cc1Cl ZINC000017100847 569173522 /nfs/dbraw/zinc/17/35/22/569173522.db2.gz NLZBDSISUFSVLX-UHFFFAOYSA-N 0 0 436.902 4.302 40 5 IIBBRN O=C(Nc1ccc(I)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000017101058 569173744 /nfs/dbraw/zinc/17/37/44/569173744.db2.gz RULXPUXUFDQZNR-UHFFFAOYSA-N 0 0 437.237 4.052 40 5 IIBBRN O=C(CSc1nnc(-c2ccc(Br)cc2)o1)Nc1ccc([N+](=O)[O-])cc1 ZINC000008759129 569218972 /nfs/dbraw/zinc/21/89/72/569218972.db2.gz ALOBBCSVHYJEHA-UHFFFAOYSA-N 0 0 435.259 4.138 40 5 IIBBRN Cc1noc(/C=C/c2ccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1[N+](=O)[O-] ZINC000033853777 569246994 /nfs/dbraw/zinc/24/69/94/569246994.db2.gz ZARXNPDSGHJESY-UXBLZVDNSA-N 0 0 445.409 4.046 40 5 IIBBRN O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(OCc2ccccc2)cc1 ZINC000008902402 569292077 /nfs/dbraw/zinc/29/20/77/569292077.db2.gz NVUVOCJRLLTDJM-UHFFFAOYSA-N 0 0 433.464 4.263 40 5 IIBBRN CC(C)c1ccc(N2C[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3Br)CC2=O)cc1 ZINC000009231882 569294579 /nfs/dbraw/zinc/29/45/79/569294579.db2.gz GQQIHUMIAPQVFC-AWEZNQCLSA-N 0 0 446.301 4.472 40 5 IIBBRN Cc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccccc3[N+](=O)[O-])C2=O)c(C)c1 ZINC000009292253 569295108 /nfs/dbraw/zinc/29/51/08/569295108.db2.gz IVBAGKFXHHRVFK-ZLNRFVROSA-N 0 0 443.459 4.263 40 5 IIBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc21 ZINC000010010614 569299011 /nfs/dbraw/zinc/29/90/11/569299011.db2.gz MCXFFGVSCHBXGX-HWKANZROSA-N 0 0 434.817 4.427 40 5 IIBBRN O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000011169954 569301832 /nfs/dbraw/zinc/30/18/32/569301832.db2.gz GLVVMOWYDZEHBS-UHFFFAOYSA-N 0 0 431.242 4.313 40 5 IIBBRN CC[C@H](NC(=O)[C@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1C ZINC000260504272 569306884 /nfs/dbraw/zinc/30/68/84/569306884.db2.gz FZVHMMRPSKEHIK-SFTDATJTSA-N 0 0 447.557 4.024 40 5 IIBBRN C[C@@H](Sc1nnc(CNc2ccc(Cl)cc2)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000013401866 569315350 /nfs/dbraw/zinc/31/53/50/569315350.db2.gz GKBCCDSWOMANNO-GFCCVEGCSA-N 0 0 446.920 4.108 40 5 IIBBRN Cc1ccc2nc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)sc2c1 ZINC000014269915 569584339 /nfs/dbraw/zinc/58/43/39/569584339.db2.gz AQRRLSYLVWQOCJ-UHFFFAOYSA-N 0 0 441.538 4.240 40 5 IIBBRN O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000020611556 527228119 /nfs/dbraw/zinc/22/81/19/527228119.db2.gz YVXQUPURHDTBKR-UHFFFAOYSA-N 0 0 440.681 4.100 40 5 IIBBRN COc1ccc(C(=O)COC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)cc1[N+](=O)[O-] ZINC000408671362 556061129 /nfs/dbraw/zinc/06/11/29/556061129.db2.gz KNWFRFCEAJZCDO-UHFFFAOYSA-N 0 0 448.431 4.204 40 5 IIBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1cccc(Cl)c1 ZINC000009822953 556309377 /nfs/dbraw/zinc/30/93/77/556309377.db2.gz WGOPATMYZYLGAW-UHFFFAOYSA-N 0 0 447.904 4.266 40 5 IIBBRN Cc1cc(C)c(OCC(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c(Cl)c1 ZINC000016267597 556595805 /nfs/dbraw/zinc/59/58/05/556595805.db2.gz PMIXKGRFLMCIKL-UHFFFAOYSA-N 0 0 438.311 4.246 40 5 IIBBRN O=C(c1ccc(Cl)cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000408687756 556616657 /nfs/dbraw/zinc/61/66/57/556616657.db2.gz UXUUKZHODICPKT-UHFFFAOYSA-N 0 0 435.823 4.102 40 5 IIBBRN Cc1c(NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cccc1[N+](=O)[O-] ZINC000013679538 556710383 /nfs/dbraw/zinc/71/03/83/556710383.db2.gz BQFFBWOHBNHSBT-UHFFFAOYSA-N 0 0 431.495 4.042 40 5 IIBBRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1 ZINC000408913213 556886613 /nfs/dbraw/zinc/88/66/13/556886613.db2.gz SDIZVZGQSUTYDC-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN O=C(CSc1nnc(COc2ccc3c(c2)CCCC3)o1)Nc1ccc([N+](=O)[O-])cc1 ZINC000409007977 556916749 /nfs/dbraw/zinc/91/67/49/556916749.db2.gz TWPQXXOVJLHDFX-UHFFFAOYSA-N 0 0 440.481 4.166 40 5 IIBBRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000409176691 556986232 /nfs/dbraw/zinc/98/62/32/556986232.db2.gz VBMQHUXUPMDNGG-UHFFFAOYSA-N 0 0 445.884 4.230 40 5 IIBBRN CCc1ccccc1N1C(=O)c2ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc2C1=O ZINC000409177147 556986394 /nfs/dbraw/zinc/98/63/94/556986394.db2.gz BYOUWPVHRPOPPF-UHFFFAOYSA-N 0 0 430.416 4.315 40 5 IIBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000409219099 557013131 /nfs/dbraw/zinc/01/31/31/557013131.db2.gz NFQRASHCIZKHPH-YXHQGMJNSA-N 0 0 430.438 4.233 40 5 IIBBRN CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O ZINC000409236088 557018288 /nfs/dbraw/zinc/01/82/88/557018288.db2.gz QWBKDTDPQKYVKP-CXUHLZMHSA-N 0 0 436.251 4.393 40 5 IIBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000205757175 557091700 /nfs/dbraw/zinc/09/17/00/557091700.db2.gz JNJNPHAOKQAKBP-GIJQJNRQSA-N 0 0 444.465 4.460 40 5 IIBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000013981742 557189348 /nfs/dbraw/zinc/18/93/48/557189348.db2.gz ZRFGPRILZYCDTA-UHFFFAOYSA-N 0 0 431.857 4.301 40 5 IIBBRN CCn1c2ccccc2n2c3nnc(SCc4ccc(Br)cc4)n3nc12 ZINC000033373570 557212813 /nfs/dbraw/zinc/21/28/13/557212813.db2.gz KTPZUQOEQVNVAT-UHFFFAOYSA-N 0 0 427.331 4.406 40 5 IIBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccccc1 ZINC000101135659 557261364 /nfs/dbraw/zinc/26/13/64/557261364.db2.gz KFNBYDOZONUQFI-ACRUOGEOSA-N 0 0 449.850 4.299 40 5 IIBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccccc1 ZINC000101135664 557261474 /nfs/dbraw/zinc/26/14/74/557261474.db2.gz KFNBYDOZONUQFI-HBMCJLEFSA-N 0 0 449.850 4.299 40 5 IIBBRN CCOc1cc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc(Cl)c1OC(C)=O ZINC000000824615 557266307 /nfs/dbraw/zinc/26/63/07/557266307.db2.gz JYIFQIIHKDJGTQ-PXNMLYILSA-N 0 0 444.827 4.225 40 5 IIBBRN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br ZINC000014270388 557332393 /nfs/dbraw/zinc/33/23/93/557332393.db2.gz MGYMMTRBEJBNOP-UHFFFAOYSA-N 0 0 444.694 4.146 40 5 IIBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCCCCOC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000004946023 557412405 /nfs/dbraw/zinc/41/24/05/557412405.db2.gz JQNBUJKPUOPUCT-MFUUIURDSA-N 0 0 440.408 4.096 40 5 IIBBRN Cc1ccc(COc2ccc([C@@H]3CN(C)[C@]4(C(=O)Nc5ccccc54)C3[N+](=O)[O-])cc2)cc1 ZINC000408564705 557418410 /nfs/dbraw/zinc/41/84/10/557418410.db2.gz FAIBFODUIBOYTH-NZJKTDFXSA-N 0 0 443.503 4.096 40 5 IIBBRN CCN(CC)C(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000408606790 557421299 /nfs/dbraw/zinc/42/12/99/557421299.db2.gz PZYCGGJBBQPNCM-SFHVURJKSA-N 0 0 448.932 4.169 40 5 IIBBRN O=C(Nc1ccc(Br)cc1Cl)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408640488 557424243 /nfs/dbraw/zinc/42/42/43/557424243.db2.gz IXGBDRJOPGYXRO-SNVBAGLBSA-N 0 0 438.665 4.002 40 5 IIBBRN Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000408643798 557424693 /nfs/dbraw/zinc/42/46/93/557424693.db2.gz CCKIXEGYWVAWIZ-UHFFFAOYSA-N 0 0 449.463 4.347 40 5 IIBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(F)F ZINC000106739203 557531846 /nfs/dbraw/zinc/53/18/46/557531846.db2.gz NAKHOXIUBJCGLR-SXGWCWSVSA-N 0 0 436.392 4.441 40 5 IIBBRN CCOC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)CC1c2ccccc2-c2ccccc21 ZINC000001633025 562923412 /nfs/dbraw/zinc/92/34/12/562923412.db2.gz CZDHNHKGWOVFMP-DEOSSOPVSA-N 0 0 444.487 4.388 40 5 IIBBRN CC[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222524630 568650302 /nfs/dbraw/zinc/65/03/02/568650302.db2.gz DNKSNISVECADFD-MRXNPFEDSA-N 0 0 446.312 4.085 40 5 IIBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223032056 568775720 /nfs/dbraw/zinc/77/57/20/568775720.db2.gz VYYJKOTUZMSARC-HZPDHXFCSA-N 0 0 431.920 4.123 40 5 IIBBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000223070539 568778778 /nfs/dbraw/zinc/77/87/78/568778778.db2.gz UVSPJFOPRQPYQS-NHCUHLMSSA-N 0 0 438.509 4.259 40 5 IIBBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000223079003 568778795 /nfs/dbraw/zinc/77/87/95/568778795.db2.gz YYJHMHJOQHUCDQ-LEWJYISDSA-N 0 0 438.509 4.259 40 5 IIBBRN CCN(c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1)S(=O)(=O)c1ccccc1 ZINC000224361325 568923460 /nfs/dbraw/zinc/92/34/60/568923460.db2.gz HMVJEKFPEZHHRI-UHFFFAOYSA-N 0 0 439.493 4.371 40 5 IIBBRN CC(=O)n1c(-c2ccc(C)cc2)nc2c1SC(c1ccc([N+](=O)[O-])cc1)=NN2C(C)=O ZINC000016777613 569161922 /nfs/dbraw/zinc/16/19/22/569161922.db2.gz JETXDJTWDNQPRV-UHFFFAOYSA-N 0 0 435.465 4.247 40 5 IIBBRN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000017095362 569172598 /nfs/dbraw/zinc/17/25/98/569172598.db2.gz SXQPTCILSUZDSB-UHFFFAOYSA-N 0 0 427.442 4.355 40 5 IIBBRN Cc1ccc(-c2ccc(C(=O)NC(=S)NNc3ccc([N+](=O)[O-])cc3)o2)cc1Cl ZINC000017097214 569172729 /nfs/dbraw/zinc/17/27/29/569172729.db2.gz TYVLMNYDVOTTEV-UHFFFAOYSA-N 0 0 430.873 4.448 40 5 IIBBRN CC(C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000017095915 569172952 /nfs/dbraw/zinc/17/29/52/569172952.db2.gz YOVXCFOREUHXDY-UHFFFAOYSA-N 0 0 428.514 4.151 40 5 IIBBRN COc1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000017101321 569173686 /nfs/dbraw/zinc/17/36/86/569173686.db2.gz BPMNLUAYULKGIC-UHFFFAOYSA-N 0 0 437.477 4.309 40 5 IIBBRN O=C(Cc1ccccc1)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000009062383 569219608 /nfs/dbraw/zinc/21/96/08/569219608.db2.gz FFZNFTUMAQWZGU-UHFFFAOYSA-N 0 0 443.419 4.078 40 5 IIBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O ZINC000009450557 569220120 /nfs/dbraw/zinc/22/01/20/569220120.db2.gz OJUAQVHEUNZSGP-UHFFFAOYSA-N 0 0 436.807 4.406 40 5 IIBBRN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCc4ccccc4[N+](=O)[O-])cc3C2=O)c1 ZINC000011184546 569224598 /nfs/dbraw/zinc/22/45/98/569224598.db2.gz FGBAVVWZUAPVEA-UHFFFAOYSA-N 0 0 430.416 4.369 40 5 IIBBRN C[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C ZINC000035251284 569248509 /nfs/dbraw/zinc/24/85/09/569248509.db2.gz BUATVIIXRXSMKS-GFCCVEGCSA-N 0 0 431.905 4.160 40 5 IIBBRN CN(C)c1ccc([C@H]2[C@@H]([N+](=O)[O-])[C@@H]3c4ccccc4C=NN3[C@@H]2C(=O)c2ccccc2)cc1 ZINC000009008775 569292821 /nfs/dbraw/zinc/29/28/21/569292821.db2.gz PRAVMSFPXRPZKR-JBXUNAHCSA-N 0 0 440.503 4.137 40 5 IIBBRN C[C@@]12C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]1ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000009272171 569294909 /nfs/dbraw/zinc/29/49/09/569294909.db2.gz UOSGPBIVRHWILZ-IMSXRSKXSA-N 0 0 429.432 4.036 40 5 IIBBRN Cc1ccccc1N1O[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]1c1cccs1 ZINC000012017544 569303581 /nfs/dbraw/zinc/30/35/81/569303581.db2.gz OCTBGNLBMWPCNX-HSALFYBXSA-N 0 0 435.461 4.016 40 5 IIBBRN O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000019642419 569324981 /nfs/dbraw/zinc/32/49/81/569324981.db2.gz BDRLCOVDCGWXIO-UHFFFAOYSA-N 0 0 444.919 4.327 40 5 IIBBRN Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000020063283 569332855 /nfs/dbraw/zinc/33/28/55/569332855.db2.gz NOYSVOAGODTJEY-UHFFFAOYSA-N 0 0 437.477 4.026 40 5 IIBBRN Cc1ccc(C(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc1[N+](=O)[O-] ZINC000057317300 569430824 /nfs/dbraw/zinc/43/08/24/569430824.db2.gz MORCAXSHCUIRHV-UHFFFAOYSA-N 0 0 431.773 4.075 40 5 IIBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000059418749 569461270 /nfs/dbraw/zinc/46/12/70/569461270.db2.gz OCLSQCMVRCDUIH-ZRDDSIGQSA-N 0 0 430.847 4.342 40 5 IIBBRN Cc1c(NC(=O)C2=C(c3ccccc3)c3ccccc3N(C)S2(=O)=O)cccc1[N+](=O)[O-] ZINC000219180114 569461939 /nfs/dbraw/zinc/46/19/39/569461939.db2.gz FXHIJRXKFIMFRY-UHFFFAOYSA-N 0 0 449.488 4.081 40 5 IIBBRN O=C(c1ccccc1Cl)N(Cc1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408681155 556616673 /nfs/dbraw/zinc/61/66/73/556616673.db2.gz HGCZGXWGSDCQDY-UHFFFAOYSA-N 0 0 435.823 4.102 40 5 IIBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O ZINC000409097021 556630065 /nfs/dbraw/zinc/63/00/65/556630065.db2.gz LIXLGYOGTRFYHH-KOLYXTFFSA-N 0 0 436.829 4.106 40 5 IIBBRN O=C1N/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1F ZINC000409106777 556630526 /nfs/dbraw/zinc/63/05/26/556630526.db2.gz UGQKZCVAAULDDS-FYJGNVAPSA-N 0 0 447.422 4.406 40 5 IIBBRN CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O ZINC000409236265 556635776 /nfs/dbraw/zinc/63/57/76/556635776.db2.gz FXMPELYPIDWJRG-CXUHLZMHSA-N 0 0 436.251 4.393 40 5 IIBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000408906184 556884475 /nfs/dbraw/zinc/88/44/75/556884475.db2.gz CTDNSMAMIFTMLM-YIXHJXPBSA-N 0 0 441.440 4.187 40 5 IIBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2C)cc1 ZINC000409029028 556924902 /nfs/dbraw/zinc/92/49/02/556924902.db2.gz XNDQCACNDRRYKA-UHFFFAOYSA-N 0 0 439.493 4.046 40 5 IIBBRN COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409194194 556993124 /nfs/dbraw/zinc/99/31/24/556993124.db2.gz OIICCPCDRLSJMN-UYRXBGFRSA-N 0 0 444.399 4.167 40 5 IIBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000409216422 557011410 /nfs/dbraw/zinc/01/14/10/557011410.db2.gz KYYJLJDZJHYUDY-GZTJUZNOSA-N 0 0 430.438 4.234 40 5 IIBBRN O=C1N/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 ZINC000409246650 557028275 /nfs/dbraw/zinc/02/82/75/557028275.db2.gz KEKDFIAORKOFBI-KGENOOAVSA-N 0 0 429.432 4.267 40 5 IIBBRN CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000409329164 557063479 /nfs/dbraw/zinc/06/34/79/557063479.db2.gz DFFOCLNMFGZVCF-UHFFFAOYSA-N 0 0 441.513 4.133 40 5 IIBBRN O=C1[C@@H]2[C@H](c3ccccc3)N(c3cccc([N+](=O)[O-])c3)O[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000101035066 557214514 /nfs/dbraw/zinc/21/45/14/557214514.db2.gz HBXSYPXOUMPLMU-HKBOAZHASA-N 0 0 449.850 4.299 40 5 IIBBRN CCc1nc2sc3c(c2c(NCCNC(=O)c2ccc([N+](=O)[O-])cc2)n1)CC[C@@H](C)C3 ZINC000013510221 557332018 /nfs/dbraw/zinc/33/20/18/557332018.db2.gz PDVMISSRQPYNQL-CYBMUJFWSA-N 0 0 439.541 4.129 40 5 IIBBRN Cc1ccc(-c2csc(NC(=O)COC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 ZINC000023552121 557365848 /nfs/dbraw/zinc/36/58/48/557365848.db2.gz CKHVDMXZEPQUCZ-UHFFFAOYSA-N 0 0 431.857 4.476 40 5 IIBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(I)c1OCC ZINC000408541602 557416243 /nfs/dbraw/zinc/41/62/43/557416243.db2.gz DLJKXLDOAVWOTD-SREVYHEPSA-N 0 0 444.225 4.464 40 5 IIBBRN COC(=O)c1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1 ZINC000408570395 557417590 /nfs/dbraw/zinc/41/75/90/557417590.db2.gz LIROKDWZWMKJJD-IBGZPJMESA-N 0 0 426.498 4.089 40 5 IIBBRN Cc1ccc(COc2ccc([C@@H]3CN(C)[C@@]4(C(=O)Nc5ccccc54)C3[N+](=O)[O-])cc2)cc1 ZINC000408564706 557418076 /nfs/dbraw/zinc/41/80/76/557418076.db2.gz FAIBFODUIBOYTH-PMWMKWCKSA-N 0 0 443.503 4.096 40 5 IIBBRN COc1cc(Cl)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1OC ZINC000408572653 557419624 /nfs/dbraw/zinc/41/96/24/557419624.db2.gz RQHCUJNUHLKGJB-SFHVURJKSA-N 0 0 434.905 4.356 40 5 IIBBRN CCCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000014031204 557419964 /nfs/dbraw/zinc/41/99/64/557419964.db2.gz RBCUQSVWKREVSS-UHFFFAOYSA-N 0 0 438.303 4.273 40 5 IIBBRN Cc1c(NS(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000408584145 557420475 /nfs/dbraw/zinc/42/04/75/557420475.db2.gz MIYUOQJGKHPDLP-UHFFFAOYSA-N 0 0 432.502 4.112 40 5 IIBBRN O=[N+]([O-])c1ccc(Sc2nnc(-c3ccccc3O)n2-c2ccccc2)c2nonc21 ZINC000408606837 557421290 /nfs/dbraw/zinc/42/12/90/557421290.db2.gz RDRMQVXJGWDMAA-UHFFFAOYSA-N 0 0 432.421 4.236 40 5 IIBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224668886 557638731 /nfs/dbraw/zinc/63/87/31/557638731.db2.gz JJHGKZXFUBWXJP-FQEVSTJZSA-N 0 0 445.947 4.370 40 5 IIBBRN CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000000907675 568636056 /nfs/dbraw/zinc/63/60/56/568636056.db2.gz DTYHCIHFMVHADL-UHFFFAOYSA-N 0 0 440.529 4.166 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1cccc2ccccc21)S(C)(=O)=O ZINC000222372562 568640222 /nfs/dbraw/zinc/64/02/22/568640222.db2.gz PRBMDEDCDKGWEP-UHFFFAOYSA-N 0 0 441.509 4.241 40 5 IIBBRN CC[C@H](C(=O)Nc1ccc(C)c(Cl)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222536029 568651646 /nfs/dbraw/zinc/65/16/46/568651646.db2.gz NIZOFEZNKHVAON-QGZVFWFLSA-N 0 0 439.921 4.048 40 5 IIBBRN CC[C@H](C(=O)Nc1ccccc1C(C)C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222537751 568651690 /nfs/dbraw/zinc/65/16/90/568651690.db2.gz HIXJADCMWZZQMH-LJQANCHMSA-N 0 0 433.530 4.210 40 5 IIBBRN CCCCc1ccc(NC(=O)[C@H](CC)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000222538859 568651705 /nfs/dbraw/zinc/65/17/05/568651705.db2.gz AJCUHRFQIRDXRV-FQEVSTJZSA-N 0 0 447.557 4.429 40 5 IIBBRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223108573 568779634 /nfs/dbraw/zinc/77/96/34/568779634.db2.gz HIOTYAGIJHSFBT-LJQANCHMSA-N 0 0 449.960 4.035 40 5 IIBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000028462566 568834487 /nfs/dbraw/zinc/83/44/87/568834487.db2.gz YACJZMKFWXMKPT-UHFFFAOYSA-N 0 0 438.893 4.067 40 5 IIBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223832907 568877423 /nfs/dbraw/zinc/87/74/23/568877423.db2.gz LKUWDPMKOQLAAI-INIZCTEOSA-N 0 0 443.931 4.267 40 5 IIBBRN Cc1ccc(NCc2nnc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)n2C)cc1 ZINC000006245352 568880656 /nfs/dbraw/zinc/88/06/56/568880656.db2.gz WFWXVCDLHUHAOL-UHFFFAOYSA-N 0 0 446.920 4.028 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000224195606 568915729 /nfs/dbraw/zinc/91/57/29/568915729.db2.gz SNCWJKAPXWHEKH-UHFFFAOYSA-N 0 0 439.493 4.289 40 5 IIBBRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224531952 568937659 /nfs/dbraw/zinc/93/76/59/568937659.db2.gz QKDIXXNRAQUZMH-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN CCCOc1ccc([N+](=O)[O-])cc1[C@H]1Nc2ccccc2[C@@H]2C(=O)NC(SCC)=NN21 ZINC000588229075 569145523 /nfs/dbraw/zinc/14/55/23/569145523.db2.gz CDYFNAOCMSDVPA-MOPGFXCFSA-N 0 0 441.513 4.005 40 5 IIBBRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1C ZINC000017101903 569173763 /nfs/dbraw/zinc/17/37/63/569173763.db2.gz PXFAPUZZWYDXBH-UHFFFAOYSA-N 0 0 438.303 4.110 40 5 IIBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000010314217 569222389 /nfs/dbraw/zinc/22/23/89/569222389.db2.gz CZRFZEROIOXQLT-UHFFFAOYSA-N 0 0 431.857 4.301 40 5 IIBBRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2C)cc1 ZINC000010364217 569223840 /nfs/dbraw/zinc/22/38/40/569223840.db2.gz KUHIMLRCWCNEIO-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1NS(=O)(=O)c1ccccc1 ZINC000010368453 569223969 /nfs/dbraw/zinc/22/39/69/569223969.db2.gz IMHLKVNRTHPXGD-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000033618227 569244965 /nfs/dbraw/zinc/24/49/65/569244965.db2.gz PMBXGBOBJATNDP-UHFFFAOYSA-N 0 0 441.513 4.133 40 5 IIBBRN CC(C)c1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000107670049 569250864 /nfs/dbraw/zinc/25/08/64/569250864.db2.gz ZFLZBRPXPMTMIY-UHFFFAOYSA-N 0 0 446.960 4.209 40 5 IIBBRN CCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000108993653 569253412 /nfs/dbraw/zinc/25/34/12/569253412.db2.gz RZQRZHPPLOPRIY-UHFFFAOYSA-N 0 0 438.465 4.330 40 5 IIBBRN CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008831263 569290908 /nfs/dbraw/zinc/29/09/08/569290908.db2.gz VNHFYPDKXPLHCT-HNNXBMFYSA-N 0 0 442.541 4.072 40 5 IIBBRN O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008902505 569292034 /nfs/dbraw/zinc/29/20/34/569292034.db2.gz HOWHYFPHWZYAHP-JXMROGBWSA-N 0 0 437.427 4.482 40 5 IIBBRN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008902585 569292219 /nfs/dbraw/zinc/29/22/19/569292219.db2.gz HMQKCPCDKWXHSW-UHFFFAOYSA-N 0 0 440.283 4.064 40 5 IIBBRN CCCCOc1ccc(C(=O)N2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)cc1 ZINC000009541899 569297202 /nfs/dbraw/zinc/29/72/02/569297202.db2.gz FQFOSVWKCIDXHI-UHFFFAOYSA-N 0 0 440.525 4.346 40 5 IIBBRN C[C@@H]1CCc2c(sc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCC3)c2C(N)=O)C1 ZINC000010372900 569299850 /nfs/dbraw/zinc/29/98/50/569299850.db2.gz QDRXYIPOYJGPLC-CYBMUJFWSA-N 0 0 427.526 4.331 40 5 IIBBRN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O ZINC000010434430 569300108 /nfs/dbraw/zinc/30/01/08/569300108.db2.gz JMNIPIASJGJYNP-NSHDSACASA-N 0 0 446.312 4.003 40 5 IIBBRN O=C(Nc1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1cccs1 ZINC000027835997 569302016 /nfs/dbraw/zinc/30/20/16/569302016.db2.gz HXMWREUKRHEPNI-UHFFFAOYSA-N 0 0 426.479 4.035 40 5 IIBBRN Cc1ccccc1CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)NC(C)C ZINC000225478169 569303507 /nfs/dbraw/zinc/30/35/07/569303507.db2.gz RVDHQOWVIKZURC-GOSISDBHSA-N 0 0 443.569 4.078 40 5 IIBBRN O=[N+]([O-])c1ccc(N2C(c3ccccc3)=N[C@H](N3CCCCC3)[C@H]2N2CCCCC2)cc1 ZINC000019329957 569318441 /nfs/dbraw/zinc/31/84/41/569318441.db2.gz WJRWIWYSOBDDOG-RPBOFIJWSA-N 0 0 433.556 4.486 40 5 IIBBRN Cc1c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CC3)n2)cccc1[N+](=O)[O-] ZINC000329013137 569321890 /nfs/dbraw/zinc/32/18/90/569321890.db2.gz MPFARPVAQYWESD-UHFFFAOYSA-N 0 0 445.401 4.421 40 5 IIBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225558927 569404254 /nfs/dbraw/zinc/40/42/54/569404254.db2.gz PWULNGOHMQOXFM-WIYYLYMNSA-N 0 0 425.529 4.168 40 5 IIBBRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CC1 ZINC000057316824 569430794 /nfs/dbraw/zinc/43/07/94/569430794.db2.gz UZZAJWPZTOAVJD-UHFFFAOYSA-N 0 0 444.919 4.195 40 5 IIBBRN O=C(c1noc(-c2ccc([N+](=O)[O-])cc2)c1S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000003848926 569456665 /nfs/dbraw/zinc/45/66/65/569456665.db2.gz FKKPOACNIKDZSN-UHFFFAOYSA-N 0 0 434.429 4.314 40 5 IIBBRN CN(c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000218303470 569456958 /nfs/dbraw/zinc/45/69/58/569456958.db2.gz RBHVUANUQSLWQT-UHFFFAOYSA-N 0 0 445.884 4.326 40 5 IIBBRN Cc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3)nn12 ZINC000032127739 569460348 /nfs/dbraw/zinc/46/03/48/569460348.db2.gz DZCJQZLIPLTFQW-UHFFFAOYSA-N 0 0 428.861 4.284 40 5 IIBBRN COC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1=O ZINC000032125000 569460384 /nfs/dbraw/zinc/46/03/84/569460384.db2.gz UXRBQGPZCCSQGH-YVLHZVERSA-N 0 0 444.490 4.264 40 5 IIBBRN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2([N+](=O)[O-])c4ccccc4C3c3ccccc32)cc1Cl ZINC000059503348 569461675 /nfs/dbraw/zinc/46/16/75/569461675.db2.gz SREIKTSNCSLKBG-ZKKFKWFVSA-N 0 0 444.874 4.433 40 5 IIBBRN CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccc(F)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000035828088 524013301 /nfs/dbraw/zinc/01/33/01/524013301.db2.gz UCKQUOYGFUKWRC-UWUFEASWSA-N 0 0 445.450 4.110 40 5 IIBBRN Cc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1C ZINC000409028821 556628370 /nfs/dbraw/zinc/62/83/70/556628370.db2.gz UEQIOOQWWSDVEL-UHFFFAOYSA-N 0 0 439.493 4.046 40 5 IIBBRN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000409029164 556628463 /nfs/dbraw/zinc/62/84/63/556628463.db2.gz YOCPERSBXRRHTJ-UHFFFAOYSA-N 0 0 445.884 4.082 40 5 IIBBRN O=[N+]([O-])c1ccc(Oc2c(Br)cc(CO)cc2Br)c([N+](=O)[O-])c1 ZINC000409109693 556630177 /nfs/dbraw/zinc/63/01/77/556630177.db2.gz JJJWDAWNDCCRFH-UHFFFAOYSA-N 0 0 448.023 4.313 40 5 IIBBRN Cn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409129972 556631023 /nfs/dbraw/zinc/63/10/23/556631023.db2.gz HVYZSCDDBGUJLF-UHFFFAOYSA-N 0 0 438.296 4.428 40 5 IIBBRN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000409178027 556632279 /nfs/dbraw/zinc/63/22/79/556632279.db2.gz GAIUUFGQHJXMOR-LQDNNDEMSA-N 0 0 428.419 4.305 40 5 IIBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1c1ccc(Cl)cc1 ZINC000409188678 556632300 /nfs/dbraw/zinc/63/23/00/556632300.db2.gz JQVWXTSHMGVTBI-PDGQHHTCSA-N 0 0 445.884 4.326 40 5 IIBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1 ZINC000409177818 556633002 /nfs/dbraw/zinc/63/30/02/556633002.db2.gz HTBSXPLTKSDIRS-YVLHZVERSA-N 0 0 445.884 4.486 40 5 IIBBRN COCCCN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O ZINC000409236089 556635826 /nfs/dbraw/zinc/63/58/26/556635826.db2.gz QWDIGZHMDGFQPS-CPNJWEJPSA-N 0 0 428.466 4.247 40 5 IIBBRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2C)cc1 ZINC000013871323 556747402 /nfs/dbraw/zinc/74/74/02/556747402.db2.gz NNWOYBVDUPZRSX-CQSZACIVSA-N 0 0 441.513 4.157 40 5 IIBBRN COC(=O)C(=Cc1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000409046185 556930499 /nfs/dbraw/zinc/93/04/99/556930499.db2.gz JCILEMOEDAQRSN-UHFFFAOYSA-N 0 0 440.235 4.210 40 5 IIBBRN Cc1cccc(-c2nc(SCC(=O)c3cc([N+](=O)[O-])ccc3Br)n[nH]2)c1 ZINC000019927261 556945343 /nfs/dbraw/zinc/94/53/43/556945343.db2.gz HGDKATOYAWVTAX-UHFFFAOYSA-N 0 0 433.287 4.426 40 5 IIBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)c1 ZINC000409173352 556984462 /nfs/dbraw/zinc/98/44/62/556984462.db2.gz PJEKQDHSWCJELV-SXGWCWSVSA-N 0 0 431.857 4.232 40 5 IIBBRN Cc1ccc(N2C(=O)c3ccc(C(=O)OCc4ccccc4[N+](=O)[O-])cc3C2=O)cc1C ZINC000409176817 556986204 /nfs/dbraw/zinc/98/62/04/556986204.db2.gz YPUJLIUCVOLNJH-UHFFFAOYSA-N 0 0 430.416 4.369 40 5 IIBBRN COc1ccc(C(=O)OCC(=O)c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1[N+](=O)[O-] ZINC000409181137 556989354 /nfs/dbraw/zinc/98/93/54/556989354.db2.gz XNZAROZLQQSKAN-UHFFFAOYSA-N 0 0 449.415 4.171 40 5 IIBBRN CCCCOC(=O)c1cc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000409218473 557012939 /nfs/dbraw/zinc/01/29/39/557012939.db2.gz VMHIRIROLLVYDT-UHFFFAOYSA-N 0 0 434.832 4.001 40 5 IIBBRN COCCCN1C(=O)S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O ZINC000409221018 557016483 /nfs/dbraw/zinc/01/64/83/557016483.db2.gz JIEUCONWZWBASN-CPNJWEJPSA-N 0 0 428.466 4.247 40 5 IIBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccccc2)cc1 ZINC000409268535 557039785 /nfs/dbraw/zinc/03/97/85/557039785.db2.gz VFQLIUFNTMBHAK-UHFFFAOYSA-N 0 0 439.493 4.046 40 5 IIBBRN Cc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000409316386 557060360 /nfs/dbraw/zinc/06/03/60/557060360.db2.gz YROHEUWMSJNKMW-UHFFFAOYSA-N 0 0 439.493 4.046 40 5 IIBBRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409354316 557080874 /nfs/dbraw/zinc/08/08/74/557080874.db2.gz BXTVYQDNUYGCAC-LZYBPNLTSA-N 0 0 431.857 4.232 40 5 IIBBRN CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 ZINC000100979737 557208816 /nfs/dbraw/zinc/20/88/16/557208816.db2.gz BAOOYJHBRZQXGB-ZRBLBEILSA-N 0 0 443.459 4.208 40 5 IIBBRN COc1ccc2nc3sc4c(ncnc4SCC(=O)Nc4cc(C)on4)c3cc2c1 ZINC000013086140 557280356 /nfs/dbraw/zinc/28/03/56/557280356.db2.gz SYFIYUSMIISKBT-UHFFFAOYSA-N 0 0 437.506 4.429 40 5 IIBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C2CCCCC2)cc1 ZINC000014135471 557308708 /nfs/dbraw/zinc/30/87/08/557308708.db2.gz YUDUEZKNPHWFQF-UHFFFAOYSA-N 0 0 445.541 4.174 40 5 IIBBRN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000220734998 557310560 /nfs/dbraw/zinc/31/05/60/557310560.db2.gz YLLAPQGXZAJEPH-GOSISDBHSA-N 0 0 439.921 4.048 40 5 IIBBRN COCCNC(=O)c1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000014412966 557337192 /nfs/dbraw/zinc/33/71/92/557337192.db2.gz DMIGRGSKFOXNCB-OQKWZONESA-N 0 0 445.475 4.150 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000014398822 557337252 /nfs/dbraw/zinc/33/72/52/557337252.db2.gz QBXAWORDEYRHLS-UHFFFAOYSA-N 0 0 435.354 4.422 40 5 IIBBRN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220546293 557351846 /nfs/dbraw/zinc/35/18/46/557351846.db2.gz NQPDYRZLWBVJQY-QGZVFWFLSA-N 0 0 439.921 4.048 40 5 IIBBRN Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)Nc1ccccc1 ZINC000408546898 557415790 /nfs/dbraw/zinc/41/57/90/557415790.db2.gz HDSWMNLRTWVIET-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN COc1ccccc1NC(=O)COc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1OC ZINC000408542933 557416207 /nfs/dbraw/zinc/41/62/07/557416207.db2.gz LWITZXBXUYQCKB-PKNBQFBNSA-N 0 0 439.424 4.096 40 5 IIBBRN Cc1ccc(COc2ccc([C@@H]3CN(C)[C@]4(C(=O)Nc5ccccc54)C3[N+](=O)[O-])cc2)cc1 ZINC000408564704 557418094 /nfs/dbraw/zinc/41/80/94/557418094.db2.gz FAIBFODUIBOYTH-CVJWPJSTSA-N 0 0 443.503 4.096 40 5 IIBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(OC)c1OC ZINC000408571974 557419475 /nfs/dbraw/zinc/41/94/75/557419475.db2.gz QDNBOGIMQFQRDO-LJQANCHMSA-N 0 0 444.513 4.020 40 5 IIBBRN O=C(Nc1ccc(Br)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408638430 557423843 /nfs/dbraw/zinc/42/38/43/557423843.db2.gz CFSZAELYXYKPBV-SNVBAGLBSA-N 0 0 438.665 4.002 40 5 IIBBRN CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000014269943 557429189 /nfs/dbraw/zinc/42/91/89/557429189.db2.gz LKFLZOWEGGMLGV-UHFFFAOYSA-N 0 0 441.557 4.168 40 5 IIBBRN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000000868703 557831629 /nfs/dbraw/zinc/83/16/29/557831629.db2.gz GIBNDRZSALOFJO-UHFFFAOYSA-N 0 0 445.504 4.497 40 5 IIBBRN Cc1nnc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)n1CCc1ccccc1 ZINC000000891386 557858891 /nfs/dbraw/zinc/85/88/91/557858891.db2.gz MTJDSFCORNFTMG-OAHLLOKOSA-N 0 0 425.514 4.165 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1cccc(Cl)c1C)S(C)(=O)=O ZINC000222374437 568640392 /nfs/dbraw/zinc/64/03/92/568640392.db2.gz BMRUVHNEHVGTQH-UHFFFAOYSA-N 0 0 439.921 4.050 40 5 IIBBRN CN(c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1)S(=O)(=O)c1ccccc1 ZINC000222534611 568651454 /nfs/dbraw/zinc/65/14/54/568651454.db2.gz NOMMJZYZEUJNBA-UHFFFAOYSA-N 0 0 445.884 4.326 40 5 IIBBRN CC[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222535959 568651693 /nfs/dbraw/zinc/65/16/93/568651693.db2.gz NIZOFEZNKHVAON-KRWDZBQOSA-N 0 0 439.921 4.048 40 5 IIBBRN CCOP(=O)(OCC)O[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000001637903 568877150 /nfs/dbraw/zinc/87/71/50/568877150.db2.gz KAMNHDQESIZJNO-MSOLQXFVSA-N 0 0 440.345 4.475 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2F)c1 ZINC000224157889 568907793 /nfs/dbraw/zinc/90/77/93/568907793.db2.gz SVXRPIGYKQPMQQ-UHFFFAOYSA-N 0 0 443.456 4.120 40 5 IIBBRN CCN(c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccccc1 ZINC000224359470 568923468 /nfs/dbraw/zinc/92/34/68/568923468.db2.gz AYXPGBBYYJHMSG-UHFFFAOYSA-N 0 0 425.466 4.062 40 5 IIBBRN COc1ccc(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1[N+](=O)[O-] ZINC000017096750 569172387 /nfs/dbraw/zinc/17/23/87/569172387.db2.gz YNQCMFRKLFOJLS-UHFFFAOYSA-N 0 0 430.269 4.046 40 5 IIBBRN O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(OCc2ccccc2)cc1 ZINC000017094391 569172842 /nfs/dbraw/zinc/17/28/42/569172842.db2.gz AYAUKYIYLNMODY-UHFFFAOYSA-N 0 0 425.441 4.440 40 5 IIBBRN CCOc1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000017095896 569172945 /nfs/dbraw/zinc/17/29/45/569172945.db2.gz BBSGMSAYOXJMMK-UHFFFAOYSA-N 0 0 428.514 4.111 40 5 IIBBRN COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000017101309 569173775 /nfs/dbraw/zinc/17/37/75/569173775.db2.gz MDKUYWYUPOJZON-UHFFFAOYSA-N 0 0 437.477 4.309 40 5 IIBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224633019 569177088 /nfs/dbraw/zinc/17/70/88/569177088.db2.gz GIGAXFGRQAIEGO-OAQYLSRUSA-N 0 0 425.529 4.025 40 5 IIBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224644916 569177725 /nfs/dbraw/zinc/17/77/25/569177725.db2.gz SOHTZXWTAKCBGY-MRXNPFEDSA-N 0 0 443.931 4.267 40 5 IIBBRN CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224706225 569181981 /nfs/dbraw/zinc/18/19/81/569181981.db2.gz GMIXUTUNRGHVCM-GOSISDBHSA-N 0 0 443.569 4.080 40 5 IIBBRN O=C(Nc1nnc(-c2ccccc2)o1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000009062102 569219448 /nfs/dbraw/zinc/21/94/48/569219448.db2.gz YLLIXVXXICRYCZ-UHFFFAOYSA-N 0 0 429.392 4.149 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000010336122 569223485 /nfs/dbraw/zinc/22/34/85/569223485.db2.gz FBZMGPKWMAXXAU-UHFFFAOYSA-N 0 0 439.921 4.050 40 5 IIBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC000011589466 569224759 /nfs/dbraw/zinc/22/47/59/569224759.db2.gz AHWUGOWTPSAEMH-UHFFFAOYSA-N 0 0 436.807 4.406 40 5 IIBBRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008902582 569292193 /nfs/dbraw/zinc/29/21/93/569292193.db2.gz WIBIKLFSZRTBAU-GFCCVEGCSA-N 0 0 440.283 4.144 40 5 IIBBRN COc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000009064655 569293258 /nfs/dbraw/zinc/29/32/58/569293258.db2.gz KTPIZUGQSINAMM-UHFFFAOYSA-N 0 0 448.932 4.374 40 5 IIBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cc(Br)ccc3OC)nc21 ZINC000010010579 569299074 /nfs/dbraw/zinc/29/90/74/569299074.db2.gz NSCLMNLFLMAGHA-UHFFFAOYSA-N 0 0 438.259 4.237 40 5 IIBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225495982 569304505 /nfs/dbraw/zinc/30/45/05/569304505.db2.gz GICXDTZHAALLIX-RXVVDRJESA-N 0 0 425.529 4.168 40 5 IIBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c(C)c1 ZINC000012482615 569304512 /nfs/dbraw/zinc/30/45/12/569304512.db2.gz KUWIKAQXHAWYNI-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN CC[C@@H](C(=O)N[C@H](CC(C)C)c1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260507403 569307034 /nfs/dbraw/zinc/30/70/34/569307034.db2.gz KYRUKGDYAIDKRX-RTWAWAEBSA-N 0 0 447.557 4.043 40 5 IIBBRN O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1)OCc1ccccc1 ZINC000018411598 569316280 /nfs/dbraw/zinc/31/62/80/569316280.db2.gz UQMKSJHSHSCQBP-QFIPXVFZSA-N 0 0 434.448 4.176 40 5 IIBBRN CC(C)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329060307 569322995 /nfs/dbraw/zinc/32/29/95/569322995.db2.gz WLGNYJDELPXXCX-UHFFFAOYSA-N 0 0 447.417 4.227 40 5 IIBBRN COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])o1 ZINC000019929139 569332010 /nfs/dbraw/zinc/33/20/10/569332010.db2.gz JFKPVWVLNSNVFC-UHFFFAOYSA-N 0 0 434.861 4.346 40 5 IIBBRN COC(=O)c1ccc2nc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)sc2c1 ZINC000020412337 569363875 /nfs/dbraw/zinc/36/38/75/569363875.db2.gz HGXRCELOOQZCLC-UHFFFAOYSA-N 0 0 440.481 4.234 40 5 IIBBRN Cc1ccccc1C(=O)N[C@@H](Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000003019119 569435581 /nfs/dbraw/zinc/43/55/81/569435581.db2.gz JDCPAPDQSRLQFD-HNNXBMFYSA-N 0 0 448.646 4.317 40 5 IIBBRN O=C(Oc1csc(SC(=O)c2cccc([N+](=O)[O-])c2)n1)c1cccc([N+](=O)[O-])c1 ZINC000003116028 569440498 /nfs/dbraw/zinc/44/04/98/569440498.db2.gz KCBKXRCJBVZRTM-UHFFFAOYSA-N 0 0 431.407 4.111 40 5 IIBBRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000218054239 569456113 /nfs/dbraw/zinc/45/61/13/569456113.db2.gz SUJSBESFNHCZBG-UHFFFAOYSA-N 0 0 432.889 4.190 40 5 IIBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000218406239 569457387 /nfs/dbraw/zinc/45/73/87/569457387.db2.gz NXEUALAVYIPBTP-UHFFFAOYSA-N 0 0 431.857 4.301 40 5 IIBBRN O=C(/C=C/c1ccco1)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000039741459 569481885 /nfs/dbraw/zinc/48/18/85/569481885.db2.gz FKTXKJUGSZJBPC-VAWYXSNFSA-N 0 0 445.391 4.142 40 5 IIBBRN CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(OCC)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000020610241 520840638 /nfs/dbraw/zinc/84/06/38/520840638.db2.gz QFIDCWOPCTYPKS-UHFFFAOYSA-N 0 0 447.451 4.378 40 5 IIBBRN CCCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000022257354 521692545 /nfs/dbraw/zinc/69/25/45/521692545.db2.gz HPALCXLLNGHAEX-UHFFFAOYSA-N 0 0 444.875 4.424 40 5 IIBBRN CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000035808617 524014139 /nfs/dbraw/zinc/01/41/39/524014139.db2.gz KREHSFWSVJADLV-LERMDLETSA-N 0 0 433.489 4.032 40 5 IIBBRN Cc1cccc(-c2noc(CN(CC(C)C)C(=O)COc3ccc([N+](=O)[O-])c(C)c3)n2)c1 ZINC000022257242 524131335 /nfs/dbraw/zinc/13/13/35/524131335.db2.gz IEMISPUJWMUSFG-UHFFFAOYSA-N 0 0 438.484 4.325 40 5 IIBBRN O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1cccc(OCc2ccccc2)c1 ZINC000020611742 527262908 /nfs/dbraw/zinc/26/29/08/527262908.db2.gz ZQXNEADQARBCGM-UHFFFAOYSA-N 0 0 433.464 4.263 40 5 IIBBRN Cn1nc(-c2nc(-c3ccc4c(c3)OCO4)cs2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000035683152 527539317 /nfs/dbraw/zinc/53/93/17/527539317.db2.gz QPLRURXOWDKHGG-UHFFFAOYSA-N 0 0 449.448 4.100 40 5 IIBBRN Cc1ccc(C(=O)N[C@H](c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)C(C)C)cc1 ZINC000035225392 556021206 /nfs/dbraw/zinc/02/12/06/556021206.db2.gz GADMCWPARRKDSX-IBGZPJMESA-N 0 0 439.541 4.451 40 5 IIBBRN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2cccc([N+](=O)[O-])c2)C(=O)c2ccccc2)cc1 ZINC000408677528 556614841 /nfs/dbraw/zinc/61/48/41/556614841.db2.gz CBKITDOAQMXHGH-JOCHJYFZSA-N 0 0 437.473 4.201 40 5 IIBBRN Cc1ccc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)cc1 ZINC000408737038 556618643 /nfs/dbraw/zinc/61/86/43/556618643.db2.gz LDOFJDUCHGOQIQ-JOCHJYFZSA-N 0 0 433.464 4.379 40 5 IIBBRN CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409131896 556631406 /nfs/dbraw/zinc/63/14/06/556631406.db2.gz PMZCSYLGDCUFHP-UHFFFAOYSA-N 0 0 447.904 4.266 40 5 IIBBRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409177238 556632506 /nfs/dbraw/zinc/63/25/06/556632506.db2.gz FIENMDDVURSKQH-OVCLIPMQSA-N 0 0 437.477 4.356 40 5 IIBBRN Nc1c(Br)cc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1Br ZINC000409184046 556633267 /nfs/dbraw/zinc/63/32/67/556633267.db2.gz WFYKMWWMXKLCHL-UHFFFAOYSA-N 0 0 430.052 4.059 40 5 IIBBRN O=C(CN1C(=O)S/C(=C/C=C/c2ccccc2[N+](=O)[O-])C1=O)Nc1ccccc1Cl ZINC000409236769 556635772 /nfs/dbraw/zinc/63/57/72/556635772.db2.gz HJGJATIHWDUJOX-ARCZGTBSSA-N 0 0 443.868 4.479 40 5 IIBBRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O ZINC000409343811 556637968 /nfs/dbraw/zinc/63/79/68/556637968.db2.gz IJWKJKSXOMAVHZ-LZYBPNLTSA-N 0 0 431.857 4.232 40 5 IIBBRN Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C1=O)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000409374044 556639034 /nfs/dbraw/zinc/63/90/34/556639034.db2.gz WWTTWISUJKQRCE-YCIYHOANSA-N 0 0 444.874 4.433 40 5 IIBBRN O=c1c2cc3c(ccn(C4CCCCC4)c3=O)nc2ccn1-c1nc(C2CCCCC2)n[nH]1 ZINC000040399026 556641411 /nfs/dbraw/zinc/64/14/11/556641411.db2.gz PIZJGZYKDRJMFO-UHFFFAOYSA-N 0 0 444.539 4.372 40 5 IIBBRN Cc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3n2)cc1C ZINC000013590705 556700483 /nfs/dbraw/zinc/70/04/83/556700483.db2.gz XOPLQRUNEDFVLI-UHFFFAOYSA-N 0 0 432.396 4.106 40 5 IIBBRN CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2C)cc1 ZINC000013842446 556745233 /nfs/dbraw/zinc/74/52/33/556745233.db2.gz DERZYGNEYWETHH-UHFFFAOYSA-N 0 0 441.513 4.157 40 5 IIBBRN CCOc1ccccc1O[C@H](c1ccccc1)[C@@H](O)COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000034068543 556763990 /nfs/dbraw/zinc/76/39/90/556763990.db2.gz WDILXXVWAWRMBW-NZQKXSOJSA-N 0 0 437.448 4.332 40 5 in-vitro IIBBRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)c1 ZINC000408907269 556884924 /nfs/dbraw/zinc/88/49/24/556884924.db2.gz NTXONVGHKWHSRT-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN CCN(CC)C(=O)[C@H]1CCCN(C(=O)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)C1 ZINC000408987215 556909840 /nfs/dbraw/zinc/90/98/40/556909840.db2.gz AVTZAIBHQNGQOZ-INIZCTEOSA-N 0 0 444.539 4.377 40 5 IIBBRN CC(C)(C)[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)N2 ZINC000409099797 556954914 /nfs/dbraw/zinc/95/49/14/556954914.db2.gz UFOZJYYGQGXAGA-WTANOLMUSA-N 0 0 427.423 4.049 40 5 IIBBRN Cc1cc(Br)ccc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000409168582 556983000 /nfs/dbraw/zinc/98/30/00/556983000.db2.gz NAJJMXJWZGEYSQ-UHFFFAOYSA-N 0 0 449.286 4.447 40 5 IIBBRN Cc1cc(Br)cc(C)c1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000409195020 556993671 /nfs/dbraw/zinc/99/36/71/556993671.db2.gz OOTPZDCEQRLXGM-UHFFFAOYSA-N 0 0 441.665 4.423 40 5 IIBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000409214449 557008911 /nfs/dbraw/zinc/00/89/11/557008911.db2.gz VHWNSLKGPCFQNK-YXHQGMJNSA-N 0 0 430.438 4.233 40 5 IIBBRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)c1 ZINC000409249639 557030097 /nfs/dbraw/zinc/03/00/97/557030097.db2.gz NSPKPQJFUVKKRV-UDWIEESQSA-N 0 0 430.420 4.183 40 5 IIBBRN CCCCSC(C[C@H](O)[C@@H](O)COC(=O)c1ccc([N+](=O)[O-])cc1)SCCCC ZINC000004743047 557063557 /nfs/dbraw/zinc/06/35/57/557063557.db2.gz SQHJTFPCDMQCNV-ROUUACIJSA-N 0 0 445.603 4.256 40 5 IIBBRN O=C(CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O)Nc1cccc2ccccc21 ZINC000409342187 557069621 /nfs/dbraw/zinc/06/96/21/557069621.db2.gz AKBFLGMVSJPBAA-XDHOZWIPSA-N 0 0 433.445 4.423 40 5 IIBBRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000013997901 557257124 /nfs/dbraw/zinc/25/71/24/557257124.db2.gz JEIIWJFVRLEKQF-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1 ZINC000014273436 557332061 /nfs/dbraw/zinc/33/20/61/557332061.db2.gz DOVWLAYLUFTQPA-UHFFFAOYSA-N 0 0 448.479 4.166 40 5 IIBBRN CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000014269595 557332322 /nfs/dbraw/zinc/33/23/22/557332322.db2.gz XCXIHPMFEAGQKK-OAHLLOKOSA-N 0 0 442.541 4.072 40 5 IIBBRN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000220686804 557363904 /nfs/dbraw/zinc/36/39/04/557363904.db2.gz RCAPFASOSHBVPY-OAHLLOKOSA-N 0 0 446.312 4.085 40 5 IIBBRN CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000220695056 557364194 /nfs/dbraw/zinc/36/41/94/557364194.db2.gz NXVOZOZGLAZHSN-INIZCTEOSA-N 0 0 446.312 4.085 40 5 IIBBRN CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1OCC ZINC000408567542 557418561 /nfs/dbraw/zinc/41/85/61/557418561.db2.gz GUPDLZRVJKNKBR-FQEVSTJZSA-N 0 0 428.514 4.483 40 5 IIBBRN CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000408602504 557420809 /nfs/dbraw/zinc/42/08/09/557420809.db2.gz BZLWPMSYOJEWRM-NRFANRHFSA-N 0 0 449.488 4.348 40 5 IIBBRN CSc1nc2sc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2c(N2CCCC2)n1 ZINC000408623238 557422500 /nfs/dbraw/zinc/42/25/00/557422500.db2.gz RULUCVSTJFCZLX-UHFFFAOYSA-N 0 0 429.527 4.482 40 5 IIBBRN O=C(CCCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1cccc2ccccc21 ZINC000408648726 557425359 /nfs/dbraw/zinc/42/53/59/557425359.db2.gz YRZBEHNGTQYSDA-UHFFFAOYSA-N 0 0 435.436 4.039 40 5 IIBBRN Cc1ccc(NC(=O)COC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000408669887 557427091 /nfs/dbraw/zinc/42/70/91/557427091.db2.gz PJJVHAHHYKZTCQ-UHFFFAOYSA-N 0 0 447.491 4.087 40 5 IIBBRN Cc1ccc(NC(=O)CSc2nnc(CNc3cccc(Cl)c3)n2C)cc1[N+](=O)[O-] ZINC000000870500 557841034 /nfs/dbraw/zinc/84/10/34/557841034.db2.gz VRKFCSINBMHWKK-UHFFFAOYSA-N 0 0 446.920 4.028 40 5 IIBBRN CC(C)C[C@@H](NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1 ZINC000222367720 568638278 /nfs/dbraw/zinc/63/82/78/568638278.db2.gz BOOJWEAZAIVJFX-OAQYLSRUSA-N 0 0 447.557 4.045 40 5 IIBBRN CC[C@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222523763 568650299 /nfs/dbraw/zinc/65/02/99/568650299.db2.gz UGOOLPFPUBHSJZ-LJQANCHMSA-N 0 0 433.530 4.210 40 5 IIBBRN CC[C@@H](C(=O)Nc1cc(Cl)ccc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222535665 568651707 /nfs/dbraw/zinc/65/17/07/568651707.db2.gz LWCHOZOBTSZZAX-KRWDZBQOSA-N 0 0 439.921 4.048 40 5 IIBBRN CC[C@H](C(=O)N[C@@H](CC)c1ccc(C)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222543055 568652060 /nfs/dbraw/zinc/65/20/60/568652060.db2.gz TXJBAZCQMVBRAB-VQTJNVASSA-N 0 0 447.557 4.024 40 5 IIBBRN O=C(Oc1ccc(/C=C2/N=C(c3cccc(F)c3)OC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000001152387 568662331 /nfs/dbraw/zinc/66/23/31/568662331.db2.gz CLJJOXROXISMLM-RGVLZGJSSA-N 0 0 432.363 4.298 40 5 IIBBRN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000016071073 568869771 /nfs/dbraw/zinc/86/97/71/568869771.db2.gz KRKIVBRITHVZOI-UHFFFAOYSA-N 0 0 437.905 4.065 40 5 IIBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223611550 568875987 /nfs/dbraw/zinc/87/59/87/568875987.db2.gz WGJFBZNIRCAAPP-OAQYLSRUSA-N 0 0 425.529 4.169 40 5 IIBBRN CCCOc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000016678245 568937642 /nfs/dbraw/zinc/93/76/42/568937642.db2.gz BNYBYWOGUCMBTQ-UHFFFAOYSA-N 0 0 437.418 4.365 40 5 IIBBRN COc1ccc(NC(=O)CSc2ncnc3sc4c(c32)CCCC4)c([N+](=O)[O-])c1 ZINC000006924655 569109391 /nfs/dbraw/zinc/10/93/91/569109391.db2.gz LJPGPBVWSYCVCK-UHFFFAOYSA-N 0 0 430.511 4.218 40 5 IIBBRN COc1ccc(-n2c(SCC(=O)c3cccc([N+](=O)[O-])c3)nnc2-c2cccnc2)cc1 ZINC000016789457 569162043 /nfs/dbraw/zinc/16/20/43/569162043.db2.gz LGKIYJGUCNZUGR-UHFFFAOYSA-N 0 0 447.476 4.221 40 5 IIBBRN CC(=O)n1c(C2CCCCC2)nc2c1SC(c1cccc([N+](=O)[O-])c1)=NN2C(C)=O ZINC000016807229 569162238 /nfs/dbraw/zinc/16/22/38/569162238.db2.gz GGNQDCZAMWKUFU-UHFFFAOYSA-N 0 0 427.486 4.320 40 5 IIBBRN O=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000017100199 569173298 /nfs/dbraw/zinc/17/32/98/569173298.db2.gz LVFHXJCQBIDZKE-UHFFFAOYSA-N 0 0 436.493 4.181 40 5 IIBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224632976 569177072 /nfs/dbraw/zinc/17/70/72/569177072.db2.gz GIGAXFGRQAIEGO-NRFANRHFSA-N 0 0 425.529 4.025 40 5 IIBBRN CCOC(=O)CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225012329 569213533 /nfs/dbraw/zinc/21/35/33/569213533.db2.gz DOWOYPBRHCQFSR-UHFFFAOYSA-N 0 0 440.477 4.020 40 5 IIBBRN CSc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C(=O)N1CCCCC1 ZINC000026116520 569242340 /nfs/dbraw/zinc/24/23/40/569242340.db2.gz BNCRXXCKYKSDTA-UHFFFAOYSA-N 0 0 449.554 4.052 40 5 IIBBRN CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000033619313 569244974 /nfs/dbraw/zinc/24/49/74/569244974.db2.gz LMGVBMGEVIWZDG-UHFFFAOYSA-N 0 0 441.513 4.133 40 5 IIBBRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000058059106 569249518 /nfs/dbraw/zinc/24/95/18/569249518.db2.gz LWRXUYOENUNHKQ-UHFFFAOYSA-N 0 0 445.884 4.230 40 5 IIBBRN O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N21 ZINC000009313346 569295284 /nfs/dbraw/zinc/29/52/84/569295284.db2.gz QTTJYWUJBQKXDZ-ZJZGAYNASA-N 0 0 441.443 4.491 40 5 IIBBRN C[C@H]1CCc2c(sc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCC3)c2C(N)=O)C1 ZINC000010372901 569299897 /nfs/dbraw/zinc/29/98/97/569299897.db2.gz QDRXYIPOYJGPLC-ZDUSSCGKSA-N 0 0 427.526 4.331 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000010543794 569300595 /nfs/dbraw/zinc/30/05/95/569300595.db2.gz ZPXBXZNVRYGOKQ-UHFFFAOYSA-N 0 0 430.457 4.100 40 5 IIBBRN O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000027906951 569305444 /nfs/dbraw/zinc/30/54/44/569305444.db2.gz YLRFORQHPCEGRU-UHFFFAOYSA-N 0 0 425.510 4.284 40 5 IIBBRN O=[N+]([O-])c1cc(F)ccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CC2)n1 ZINC000329048471 569322230 /nfs/dbraw/zinc/32/22/30/569322230.db2.gz UKSDLXZPPFWPKF-UHFFFAOYSA-N 0 0 449.364 4.251 40 5 IIBBRN CC[C@H](C)c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000019636465 569324186 /nfs/dbraw/zinc/32/41/86/569324186.db2.gz GJPFEBMPKMWXCZ-HNNXBMFYSA-N 0 0 442.541 4.072 40 5 IIBBRN O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000020528741 569371536 /nfs/dbraw/zinc/37/15/36/569371536.db2.gz PVGSLASSXGJZDF-UHFFFAOYSA-N 0 0 432.421 4.273 40 5 IIBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1Cl)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 ZINC000028628560 569415221 /nfs/dbraw/zinc/41/52/21/569415221.db2.gz UHAXNTKXHILPLR-ZRDDSIGQSA-N 0 0 430.847 4.125 40 5 IIBBRN CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)nn12 ZINC000057316883 569430756 /nfs/dbraw/zinc/43/07/56/569430756.db2.gz VUXSTBKVXQOJOW-UHFFFAOYSA-N 0 0 428.861 4.229 40 5 IIBBRN Cc1cc(C)c(OCCNC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1 ZINC000059417130 569461277 /nfs/dbraw/zinc/46/12/77/569461277.db2.gz JIFHDWAHBJFELU-UHFFFAOYSA-N 0 0 426.391 4.113 40 5 IIBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223273053 193960945 /nfs/dbraw/zinc/96/09/45/193960945.db2.gz XSSIAYRLDGEJQG-HXUWFJFHSA-N 0 0 425.529 4.168 40 5 IIBBRN O=C1[C@H]2[C@H](ON(c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2Cl)C(=O)N1c1ccccc1 ZINC000018129727 527119509 /nfs/dbraw/zinc/11/95/09/527119509.db2.gz KFNBYDOZONUQFI-NJYVYQBISA-N 0 0 449.850 4.299 40 5 IIBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCSCc2c(Cl)cccc2Cl)c1 ZINC000022527551 527387921 /nfs/dbraw/zinc/38/79/21/527387921.db2.gz NPVUKFFXYJYOQO-UHFFFAOYSA-N 0 0 435.354 4.254 40 5 IIBBRN Cc1cc(OCC(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc(C)c1Cl ZINC000016269394 556596238 /nfs/dbraw/zinc/59/62/38/556596238.db2.gz XIRLRPBKQRLSDV-UHFFFAOYSA-N 0 0 438.311 4.246 40 5 IIBBRN CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1 ZINC000408672571 556614487 /nfs/dbraw/zinc/61/44/87/556614487.db2.gz VLZVIAGDHUFOQK-OAHLLOKOSA-N 0 0 426.469 4.250 40 5 IIBBRN COc1ccc(C(=O)COC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000408672939 556614864 /nfs/dbraw/zinc/61/48/64/556614864.db2.gz PLDFMBCWINSHKW-UHFFFAOYSA-N 0 0 448.431 4.204 40 5 IIBBRN CS(=O)(=O)N(CCCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(Cl)c1 ZINC000408694913 556615724 /nfs/dbraw/zinc/61/57/24/556615724.db2.gz JOIUSPQQAFHUAR-UHFFFAOYSA-N 0 0 446.312 4.087 40 5 IIBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000409179966 556632382 /nfs/dbraw/zinc/63/23/82/556632382.db2.gz RDOIERFITJYMNV-LZYBPNLTSA-N 0 0 431.857 4.232 40 5 IIBBRN O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)c2)o1 ZINC000409181865 556632440 /nfs/dbraw/zinc/63/24/40/556632440.db2.gz GENVISHJQBVXJG-UHFFFAOYSA-N 0 0 428.784 4.116 40 5 IIBBRN O=C1N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccccc1 ZINC000409197902 556633659 /nfs/dbraw/zinc/63/36/59/556633659.db2.gz RQCHFRGGJQYKPZ-HYARGMPZSA-N 0 0 429.432 4.267 40 5 IIBBRN O=C(CN1C(=O)SC(=Cc2ccccc2[N+](=O)[O-])C1=O)c1ccc(Br)cc1 ZINC000409217252 556634647 /nfs/dbraw/zinc/63/46/47/556634647.db2.gz AQNPLKRJAABZFO-CXUHLZMHSA-N 0 0 447.266 4.277 40 5 IIBBRN Cc1c(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000409269707 556636026 /nfs/dbraw/zinc/63/60/26/556636026.db2.gz LXGKCNWHTFGELP-UHFFFAOYSA-N 0 0 439.493 4.122 40 5 IIBBRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)C2=O)cc1 ZINC000409344574 556637499 /nfs/dbraw/zinc/63/74/99/556637499.db2.gz HDUISGOFYFQBMH-VCHYOVAHSA-N 0 0 441.465 4.099 40 5 IIBBRN COCCCn1ccc2nc3ccn(-c4cc(Cl)cc(Cl)c4)c(=O)c3cc2c1=O ZINC000040398705 556640321 /nfs/dbraw/zinc/64/03/21/556640321.db2.gz AIMZIHRXZRFNOL-UHFFFAOYSA-N 0 0 430.291 4.044 40 5 IIBBRN O=c1c2cc3c(ccn(-c4cc(Cl)cc(Cl)c4)c3=O)nc2ccn1Cc1ccncc1 ZINC000040398714 556640621 /nfs/dbraw/zinc/64/06/21/556640621.db2.gz QAQOXZNPGSCFHA-UHFFFAOYSA-N 0 0 449.297 4.451 40 5 IIBBRN O=C1S/C(=C/c2ccc(O)c(Br)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214982498 556676390 /nfs/dbraw/zinc/67/63/90/556676390.db2.gz UKWKMIXRVVYQFJ-OVCLIPMQSA-N 0 0 435.255 4.299 40 5 IIBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013752320 556725999 /nfs/dbraw/zinc/72/59/99/556725999.db2.gz HBXSYPXOUMPLMU-ACRUOGEOSA-N 0 0 449.850 4.299 40 5 IIBBRN COc1ccccc1N1CCN(C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000408912373 556886361 /nfs/dbraw/zinc/88/63/61/556886361.db2.gz QAZTXMWKYSLNMM-FCDQGJHFSA-N 0 0 443.503 4.493 40 5 IIBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O ZINC000409071035 556945297 /nfs/dbraw/zinc/94/52/97/556945297.db2.gz IDAPUZMRDDOLRE-VMSYHEBLSA-N 0 0 436.829 4.106 40 5 IIBBRN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220573896 557352752 /nfs/dbraw/zinc/35/27/52/557352752.db2.gz SOMBLLHJKKGMPF-SFHVURJKSA-N 0 0 439.921 4.048 40 5 IIBBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000102736757 557371269 /nfs/dbraw/zinc/37/12/69/557371269.db2.gz ZZNCQVJBBNCZSD-HBMCJLEFSA-N 0 0 449.850 4.299 40 5 IIBBRN CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)n1CC ZINC000408581185 557420130 /nfs/dbraw/zinc/42/01/30/557420130.db2.gz HJVOOCKQZDXATC-UHFFFAOYSA-N 0 0 441.513 4.311 40 5 IIBBRN Cc1ccc(N2C[C@@H](C(=O)Nc3cc(C)c(Br)c(C)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408642394 557424435 /nfs/dbraw/zinc/42/44/35/557424435.db2.gz OMWBHVMHRXNKQD-AWEZNQCLSA-N 0 0 446.301 4.274 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000014398358 557436196 /nfs/dbraw/zinc/43/61/96/557436196.db2.gz LNERNFXHTRNLQU-UHFFFAOYSA-N 0 0 435.354 4.422 40 5 IIBBRN CCOc1ccc(OC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000024522265 557439486 /nfs/dbraw/zinc/43/94/86/557439486.db2.gz CAHYRTAJPQGLJP-UHFFFAOYSA-N 0 0 427.434 4.046 40 5 IIBBRN CCCOc1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000014641471 557448748 /nfs/dbraw/zinc/44/87/48/557448748.db2.gz QAZNRDVMYVIZQT-UHFFFAOYSA-N 0 0 438.303 4.273 40 5 IIBBRN CCc1cccc(CC)c1NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222375381 568639373 /nfs/dbraw/zinc/63/93/73/568639373.db2.gz UQUALVBNBIPGIX-UHFFFAOYSA-N 0 0 447.557 4.213 40 5 IIBBRN CCCCc1ccc(NC(=O)[C@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000222524342 568650317 /nfs/dbraw/zinc/65/03/17/568650317.db2.gz FWTFSOKQRUYHPJ-FQEVSTJZSA-N 0 0 433.530 4.121 40 5 IIBBRN CC[C@H](C(=O)Nc1cccc2ccccc21)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222532674 568651480 /nfs/dbraw/zinc/65/14/80/568651480.db2.gz YQYBMMRMBQTZIS-HXUWFJFHSA-N 0 0 441.509 4.240 40 5 IIBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222787325 568661578 /nfs/dbraw/zinc/66/15/78/568661578.db2.gz AMNLYLRSHJWVJZ-HNNXBMFYSA-N 0 0 431.920 4.123 40 5 IIBBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000223070479 568778815 /nfs/dbraw/zinc/77/88/15/568778815.db2.gz UVSPJFOPRQPYQS-LEWJYISDSA-N 0 0 438.509 4.259 40 5 IIBBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000223079209 568779000 /nfs/dbraw/zinc/77/90/00/568779000.db2.gz GGYFYSVOGXHNOT-RTWAWAEBSA-N 0 0 438.509 4.259 40 5 IIBBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000223079275 568779034 /nfs/dbraw/zinc/77/90/34/568779034.db2.gz GGYFYSVOGXHNOT-LEWJYISDSA-N 0 0 438.509 4.259 40 5 IIBBRN COc1cc2ccccc2cc1C(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000016215137 568873233 /nfs/dbraw/zinc/87/32/33/568873233.db2.gz SUKAXLNXVUVPRB-UHFFFAOYSA-N 0 0 425.872 4.372 40 5 IIBBRN CCN(CC)c1cc2oc(=O)cc(C)c2cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001600336 568876178 /nfs/dbraw/zinc/87/61/78/568876178.db2.gz GEMNJEVJDBZWPO-UHFFFAOYSA-N 0 0 440.412 4.016 40 5 IIBBRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224138101 568906481 /nfs/dbraw/zinc/90/64/81/568906481.db2.gz UOKYSIXBXLNFJY-NRFANRHFSA-N 0 0 443.569 4.080 40 5 IIBBRN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000006446369 568906934 /nfs/dbraw/zinc/90/69/34/568906934.db2.gz YXRJQJJVNUWXLK-UHFFFAOYSA-N 0 0 445.504 4.497 40 5 IIBBRN O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc([N+](=O)[O-])c2)N1CCc1ccccc1 ZINC000016789733 569162034 /nfs/dbraw/zinc/16/20/34/569162034.db2.gz QHARKIWDPAXKEF-QFIPXVFZSA-N 0 0 426.428 4.489 40 5 IIBBRN Cc1ccc(S(=O)(=O)/C=C(/I)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000016954664 569167123 /nfs/dbraw/zinc/16/71/23/569167123.db2.gz AAONIAYFUHUSLX-XNTDXEJSSA-N 0 0 429.235 4.111 40 5 IIBBRN COc1c(Br)cc(Br)cc1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000017096733 569172940 /nfs/dbraw/zinc/17/29/40/569172940.db2.gz CGMJXZIRYDAEKC-UHFFFAOYSA-N 0 0 430.052 4.381 40 5 IIBBRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)c([N+](=O)[O-])c1 ZINC000008759133 569218997 /nfs/dbraw/zinc/21/89/97/569218997.db2.gz QNUWMIWHWKKYSI-UHFFFAOYSA-N 0 0 449.286 4.447 40 5 IIBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000009904529 569220210 /nfs/dbraw/zinc/22/02/10/569220210.db2.gz VNEJGOZUKTXGMU-UHFFFAOYSA-N 0 0 431.857 4.301 40 5 IIBBRN Cc1cccc(C(=O)N[C@H](c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)C(C)C)c1 ZINC000034703670 569247314 /nfs/dbraw/zinc/24/73/14/569247314.db2.gz UKRQVFZLBROYRS-IBGZPJMESA-N 0 0 439.541 4.451 40 5 IIBBRN Cc1cccc(C(=O)N[C@@H](c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)C(C)C)c1 ZINC000034703669 569247356 /nfs/dbraw/zinc/24/73/56/569247356.db2.gz UKRQVFZLBROYRS-LJQANCHMSA-N 0 0 439.541 4.451 40 5 IIBBRN COc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1[N+](=O)[O-] ZINC000008902732 569292228 /nfs/dbraw/zinc/29/22/28/569292228.db2.gz FNQQJECHBJXNMK-UHFFFAOYSA-N 0 0 438.421 4.311 40 5 IIBBRN O=C(NCCCCCCNC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1cccc([N+](=O)[O-])c1 ZINC000009056988 569293410 /nfs/dbraw/zinc/29/34/10/569293410.db2.gz ZWNZUYYUJMWCSU-UHFFFAOYSA-N 0 0 444.448 4.007 40 5 IIBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225495886 569304524 /nfs/dbraw/zinc/30/45/24/569304524.db2.gz GICXDTZHAALLIX-WIYYLYMNSA-N 0 0 425.529 4.168 40 5 IIBBRN COc1c([N+](=O)[O-])cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000020528715 569371579 /nfs/dbraw/zinc/37/15/79/569371579.db2.gz NXXSWFQFKVLOIS-QMMMGPOBSA-N 0 0 430.200 4.224 40 5 IIBBRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2Cl)CC1 ZINC000021124181 569376977 /nfs/dbraw/zinc/37/69/77/569376977.db2.gz CZEDIVMZPWPOAD-UHFFFAOYSA-N 0 0 444.919 4.195 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 ZINC000003146050 569440902 /nfs/dbraw/zinc/44/09/02/569440902.db2.gz RRVNKFJKULGWOJ-BKUYFWCQSA-N 0 0 446.419 4.221 40 5 IIBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(I)cc1 ZINC000218048015 569456115 /nfs/dbraw/zinc/45/61/15/569456115.db2.gz UTMDZXYGMRPDAF-UHFFFAOYSA-N 0 0 428.251 4.071 40 5 IIBBRN O=C(c1cccs1)c1noc(-c2ccc([N+](=O)[O-])cc2)c1S(=O)(=O)c1ccccc1 ZINC000003848884 569456673 /nfs/dbraw/zinc/45/66/73/569456673.db2.gz DKTCVPJVNRYKPG-UHFFFAOYSA-N 0 0 440.458 4.375 40 5 IIBBRN O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1 ZINC000032125009 569460376 /nfs/dbraw/zinc/46/03/76/569460376.db2.gz OVDXVIFGSGWYHH-YVLHZVERSA-N 0 0 434.470 4.055 40 5 IIBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(c2nc3ccccc3s2)CC1 ZINC000012876262 522976828 /nfs/dbraw/zinc/97/68/28/522976828.db2.gz ZNEBILZCWFYHNC-UHFFFAOYSA-N 0 0 426.498 4.031 40 5 IIBBRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 ZINC000020611882 525932405 /nfs/dbraw/zinc/93/24/05/525932405.db2.gz HAYWBZAXRFJGHS-LBPRGKRZSA-N 0 0 440.283 4.144 40 5 IIBBRN O=C(c1ccco1)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 ZINC000035828092 526832231 /nfs/dbraw/zinc/83/22/31/526832231.db2.gz LXLYGQMNQNVYNM-DYZUWXGSSA-N 0 0 443.459 4.096 40 5 IIBBRN O=C1C[C@@H](c2ccc(F)cc2)Cc2nc3nc(SCc4cccc([N+](=O)[O-])c4)nn3cc21 ZINC000020671468 527022976 /nfs/dbraw/zinc/02/29/76/527022976.db2.gz ZSYIENPHJQNPFT-HNNXBMFYSA-N 0 0 449.467 4.377 40 5 IIBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000020570863 527375326 /nfs/dbraw/zinc/37/53/26/527375326.db2.gz YEXRCIQCTRXATJ-UHFFFAOYSA-N 0 0 431.857 4.301 40 5 IIBBRN CCOc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccccc1 ZINC000408555855 555892979 /nfs/dbraw/zinc/89/29/79/555892979.db2.gz HBXWCKDPHHDXLP-UHFFFAOYSA-N 0 0 441.465 4.047 40 5 IIBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(I)c1OC ZINC000035146010 555897769 /nfs/dbraw/zinc/89/77/69/555897769.db2.gz NTVWYKGUSIZFPJ-WAYWQWQTSA-N 0 0 430.198 4.074 40 5 IIBBRN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc2)cc1 ZINC000408688892 556616849 /nfs/dbraw/zinc/61/68/49/556616849.db2.gz XAUSYDMGQVUGGN-QFIPXVFZSA-N 0 0 437.473 4.201 40 5 IIBBRN O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408718465 556617985 /nfs/dbraw/zinc/61/79/85/556617985.db2.gz YYTFDNOCVVCRHI-UHFFFAOYSA-N 0 0 431.364 4.472 40 5 IIBBRN O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1)OCc1ccccc1 ZINC000408738179 556618892 /nfs/dbraw/zinc/61/88/92/556618892.db2.gz QGNKOCKSQWGJBD-NRFANRHFSA-N 0 0 437.427 4.210 40 5 IIBBRN CCCN1C(=O)C(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)NC1=S ZINC000409084605 556629889 /nfs/dbraw/zinc/62/98/89/556629889.db2.gz WVWWCRNQMHSXTM-BOPFTXTBSA-N 0 0 431.901 4.295 40 5 IIBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)OCC(C)C)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409208605 556634217 /nfs/dbraw/zinc/63/42/17/556634217.db2.gz DAEFNTLFEFJTCC-GIJQJNRQSA-N 0 0 444.465 4.399 40 5 IIBBRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000409365362 556638561 /nfs/dbraw/zinc/63/85/61/556638561.db2.gz YXXWVDCHUMOQKN-LZYBPNLTSA-N 0 0 431.857 4.232 40 5 IIBBRN O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000409412646 556639455 /nfs/dbraw/zinc/63/94/55/556639455.db2.gz VUBHQTLMZQEDEQ-UHFFFAOYSA-N 0 0 425.253 4.281 40 5 IIBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)Nc1ccc(F)cc1 ZINC000408873566 556875517 /nfs/dbraw/zinc/87/55/17/556875517.db2.gz SBRCFFIANHVSEK-NVNXTCNLSA-N 0 0 435.820 4.062 40 5 IIBBRN COc1ccccc1N1CCN(C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 ZINC000408908198 556886886 /nfs/dbraw/zinc/88/68/86/556886886.db2.gz VDKYYYVUCBAOTD-FCDQGJHFSA-N 0 0 443.503 4.493 40 5 IIBBRN C[C@@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1)c1ccccc1 ZINC000409005075 556915623 /nfs/dbraw/zinc/91/56/23/556915623.db2.gz ZARRXFKZNWUASG-JPYJTQIMSA-N 0 0 447.491 4.310 40 5 IIBBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O ZINC000409011616 556918194 /nfs/dbraw/zinc/91/81/94/556918194.db2.gz NXXVMKRDWZBOAH-VAKHEIKFSA-N 0 0 430.438 4.151 40 5 IIBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O ZINC000409072433 556945989 /nfs/dbraw/zinc/94/59/89/556945989.db2.gz VLKFKMXVKCIXNY-KOLYXTFFSA-N 0 0 436.829 4.106 40 5 IIBBRN Cn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409128391 556966578 /nfs/dbraw/zinc/96/65/78/556966578.db2.gz ONTIMOMHNVPDSA-UHFFFAOYSA-N 0 0 438.296 4.428 40 5 IIBBRN CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000409170037 556980714 /nfs/dbraw/zinc/98/07/14/556980714.db2.gz SAMOKDAALYFQSA-UHFFFAOYSA-N 0 0 428.470 4.411 40 5 IIBBRN Cc1ccc(N2C(=O)c3ccc(C(=O)OCc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1C ZINC000409178343 556987027 /nfs/dbraw/zinc/98/70/27/556987027.db2.gz GRCRNXAVLPEMJA-UHFFFAOYSA-N 0 0 430.416 4.369 40 5 IIBBRN O=C1N/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1 ZINC000409204287 557002839 /nfs/dbraw/zinc/00/28/39/557002839.db2.gz DRJSIOQJEMAKEU-STZFKDTASA-N 0 0 429.432 4.267 40 5 IIBBRN COC(=O)c1c(C)c(C(=O)Nc2cccc([N+](=O)[O-])c2)sc1NC(=O)c1cccs1 ZINC000013424277 557322869 /nfs/dbraw/zinc/32/28/69/557322869.db2.gz QFKLVBLCSJGMAB-UHFFFAOYSA-N 0 0 445.478 4.317 40 5 IIBBRN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220546233 557351823 /nfs/dbraw/zinc/35/18/23/557351823.db2.gz NQPDYRZLWBVJQY-KRWDZBQOSA-N 0 0 439.921 4.048 40 5 IIBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000408563045 557417104 /nfs/dbraw/zinc/41/71/04/557417104.db2.gz IBEWGXCKGWOADA-UHFFFAOYSA-N 0 0 439.459 4.196 40 5 IIBBRN COc1ccc(OC)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)c1 ZINC000408569576 557417606 /nfs/dbraw/zinc/41/76/06/557417606.db2.gz JQNVNGMPXWIEJJ-FQEVSTJZSA-N 0 0 428.514 4.320 40 5 IIBBRN COc1ccc(OC)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)c1 ZINC000408570587 557418269 /nfs/dbraw/zinc/41/82/69/557418269.db2.gz LLMXPUVQVLNXBB-GOSISDBHSA-N 0 0 434.905 4.356 40 5 IIBBRN COc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1Br ZINC000408570974 557419668 /nfs/dbraw/zinc/41/96/68/557419668.db2.gz MMUVIRGWUYHLAZ-KRWDZBQOSA-N 0 0 449.330 4.457 40 5 IIBBRN Cc1c(Cl)c(Br)ccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408665441 557426600 /nfs/dbraw/zinc/42/66/00/557426600.db2.gz LVYMHZXZBVNVEV-UHFFFAOYSA-N 0 0 427.638 4.115 40 5 IIBBRN O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014272275 557431670 /nfs/dbraw/zinc/43/16/70/557431670.db2.gz PDNANCWVVWSJKB-UHFFFAOYSA-N 0 0 444.447 4.492 40 5 IIBBRN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000014822565 557459019 /nfs/dbraw/zinc/45/90/19/557459019.db2.gz GHJIKUPIIGUXNW-UHFFFAOYSA-N 0 0 437.905 4.065 40 5 IIBBRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000017103299 557491997 /nfs/dbraw/zinc/49/19/97/557491997.db2.gz FIHCKZXXHPNCRT-UHFFFAOYSA-N 0 0 439.453 4.479 40 5 IIBBRN COC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1Cl ZINC000225565528 557743310 /nfs/dbraw/zinc/74/33/10/557743310.db2.gz CRGOKRHGDMAHQA-HNNXBMFYSA-N 0 0 448.903 4.349 40 5 IIBBRN Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1[C@H](c1ccccc1[N+](=O)[O-])SC(=N)N2 ZINC000005852575 562945248 /nfs/dbraw/zinc/94/52/48/562945248.db2.gz QBZPGNXXOLBQBP-INIZCTEOSA-N 0 0 427.873 4.224 40 5 IIBBRN CS(=O)(=O)N(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000222364535 568638311 /nfs/dbraw/zinc/63/83/11/568638311.db2.gz FYPHVLJCZDSYKT-UHFFFAOYSA-N 0 0 446.312 4.087 40 5 IIBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222787382 568661609 /nfs/dbraw/zinc/66/16/09/568661609.db2.gz AMNLYLRSHJWVJZ-OAHLLOKOSA-N 0 0 431.920 4.123 40 5 IIBBRN C[C@@]12C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000001138968 568661894 /nfs/dbraw/zinc/66/18/94/568661894.db2.gz UOSGPBIVRHWILZ-DPLHUUCSSA-N 0 0 429.432 4.036 40 5 IIBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223146609 568780443 /nfs/dbraw/zinc/78/04/43/568780443.db2.gz OADIBNZJGUJAMW-MRXNPFEDSA-N 0 0 431.920 4.124 40 5 IIBBRN O=C(c1ccco1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CCCN2[C@]12C(=O)Nc1ccccc12 ZINC000015972399 568861312 /nfs/dbraw/zinc/86/13/12/568861312.db2.gz LXLYGQMNQNVYNM-RHQSAMMMSA-N 0 0 443.459 4.096 40 5 IIBBRN CN(C)c1ccc(-n2nc3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3n2)cc1 ZINC000016186539 568872265 /nfs/dbraw/zinc/87/22/65/568872265.db2.gz QJRQUCZPJZCKQR-UHFFFAOYSA-N 0 0 436.859 4.300 40 5 IIBBRN COc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Br ZINC000016226705 568873450 /nfs/dbraw/zinc/87/34/50/568873450.db2.gz IIBJENLEXCCSPD-UHFFFAOYSA-N 0 0 444.694 4.146 40 5 IIBBRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1 ZINC000016310513 568876708 /nfs/dbraw/zinc/87/67/08/568876708.db2.gz AFQYFRGYVXJAEW-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1CCc1ccccc1 ZINC000016789735 569162017 /nfs/dbraw/zinc/16/20/17/569162017.db2.gz QHARKIWDPAXKEF-JOCHJYFZSA-N 0 0 426.428 4.489 40 5 IIBBRN CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1[N+](=O)[O-] ZINC000017099469 569173531 /nfs/dbraw/zinc/17/35/31/569173531.db2.gz IHCKGSSJOZNQSH-UHFFFAOYSA-N 0 0 435.415 4.427 40 5 IIBBRN CCCC[C@@H](CC)CNC(=O)CCCN(c1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O ZINC000224935763 569193704 /nfs/dbraw/zinc/19/37/04/569193704.db2.gz YKELDYFEIVDUNB-OAHLLOKOSA-N 0 0 447.985 4.127 40 5 IIBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224976237 569204747 /nfs/dbraw/zinc/20/47/47/569204747.db2.gz ZYJHENFZBKRIOY-QZTJIDSGSA-N 0 0 443.569 4.160 40 5 IIBBRN O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000009062123 569219510 /nfs/dbraw/zinc/21/95/10/569219510.db2.gz DDCYTUSZJLANAZ-UHFFFAOYSA-N 0 0 429.392 4.149 40 5 IIBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O ZINC000009450568 569220118 /nfs/dbraw/zinc/22/01/18/569220118.db2.gz PAPTXSWQOZGLSQ-UHFFFAOYSA-N 0 0 436.807 4.406 40 5 IIBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2oc1=O ZINC000010000222 569220766 /nfs/dbraw/zinc/22/07/66/569220766.db2.gz ZDPNCJKQMDPIRX-JOCHJYFZSA-N 0 0 429.384 4.482 40 5 IIBBRN CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1ccccc1C ZINC000108925238 569253148 /nfs/dbraw/zinc/25/31/48/569253148.db2.gz MHIKGNHEYZIGBK-OAHLLOKOSA-N 0 0 425.514 4.298 40 5 IIBBRN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc([N+](=O)[O-])cc4)N(c4ccccc4)O[C@@H]3C2=O)c(C)c1 ZINC000017916925 569275272 /nfs/dbraw/zinc/27/52/72/569275272.db2.gz WKNBXXKEUJIMDM-VJBWXMMDSA-N 0 0 443.459 4.263 40 5 IIBBRN CCOc1ccc(-n2nc3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3n2)cc1 ZINC000008767581 569290327 /nfs/dbraw/zinc/29/03/27/569290327.db2.gz FUDIOBANJKXVAR-AWNIVKPZSA-N 0 0 429.436 4.379 40 5 IIBBRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000008832163 569291058 /nfs/dbraw/zinc/29/10/58/569291058.db2.gz KILASWGPEGBJKC-UHFFFAOYSA-N 0 0 442.479 4.490 40 5 IIBBRN CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000008832520 569291083 /nfs/dbraw/zinc/29/10/83/569291083.db2.gz FPVFWBILVTZOAG-UHFFFAOYSA-N 0 0 444.919 4.258 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 ZINC000010315300 569299671 /nfs/dbraw/zinc/29/96/71/569299671.db2.gz KTMWVUXAPMIKHZ-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN Cc1ccc(S(=O)(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1[N+](=O)[O-] ZINC000010543780 569300636 /nfs/dbraw/zinc/30/06/36/569300636.db2.gz AXHQRIFTTPDUCX-UHFFFAOYSA-N 0 0 430.457 4.100 40 5 IIBBRN CC[C@H](C(=O)N[C@H](CC(C)C)c1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260507397 569306871 /nfs/dbraw/zinc/30/68/71/569306871.db2.gz KYRUKGDYAIDKRX-NHCUHLMSSA-N 0 0 447.557 4.043 40 5 IIBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(CNc2ccc(Cl)cc2)n1C ZINC000013401877 569315431 /nfs/dbraw/zinc/31/54/31/569315431.db2.gz HLCMVWQKYQYFTJ-UHFFFAOYSA-N 0 0 446.920 4.028 40 5 IIBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1ccccc1Cl ZINC000020051101 569332888 /nfs/dbraw/zinc/33/28/88/569332888.db2.gz IXSRQFVZCGZARA-UHFFFAOYSA-N 0 0 447.904 4.266 40 5 IIBBRN CCN(CC)C(=O)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NC(=O)c1ccccc1 ZINC000095116742 569358447 /nfs/dbraw/zinc/35/84/47/569358447.db2.gz BAVWIHUDTRSESR-PGMHBOJBSA-N 0 0 433.464 4.494 40 5 IIBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000059132969 569459380 /nfs/dbraw/zinc/45/93/80/569459380.db2.gz HNEAXWDFDGBQCV-VGOFMYFVSA-N 0 0 437.477 4.356 40 5 IIBBRN CCCc1ccc(OCCNC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000059417132 569461246 /nfs/dbraw/zinc/46/12/46/569461246.db2.gz QRUDWJAVMGIXCI-UHFFFAOYSA-N 0 0 426.391 4.140 40 5 IIBBRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000059422254 569461351 /nfs/dbraw/zinc/46/13/51/569461351.db2.gz AHAKVVMQYOCKLO-UHFFFAOYSA-N 0 0 439.493 4.194 40 5 IIBBRN O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000059503327 569461625 /nfs/dbraw/zinc/46/16/25/569461625.db2.gz NPCPMPDUCVSLEO-CAZKKTPXSA-N 0 0 430.847 4.125 40 5 IIBBRN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)N[C@H]1CCCC[C@@H]1C ZINC000408605651 193974325 /nfs/dbraw/zinc/97/43/25/193974325.db2.gz MQFOYCGGPMHRCM-CIWSBSAOSA-N 0 0 429.473 4.144 40 5 IIBBRN Cc1cccc(NC(=O)COC(=O)c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)c1C ZINC000035933798 524598771 /nfs/dbraw/zinc/59/87/71/524598771.db2.gz YZCHPFSRRUPBLF-UHFFFAOYSA-N 0 0 447.447 4.259 40 5 IIBBRN Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000408702142 556618041 /nfs/dbraw/zinc/61/80/41/556618041.db2.gz JWZJYDKAPQFJFG-UHFFFAOYSA-N 0 0 431.514 4.029 40 5 IIBBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)N3N=Cc4ccccc4[C@H]3[C@H]2[N+](=O)[O-])cc1 ZINC000033656776 556618664 /nfs/dbraw/zinc/61/86/64/556618664.db2.gz BXQZNEAZIRJQPO-SBFWRKJZSA-N 0 0 427.460 4.080 40 5 IIBBRN O=C(NCCSCc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408906542 556623282 /nfs/dbraw/zinc/62/32/82/556623282.db2.gz GYVIWLPETXPBTC-UHFFFAOYSA-N 0 0 430.269 4.473 40 5 IIBBRN COC(=O)C(=Cc1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)C(=O)OC ZINC000409086094 556629823 /nfs/dbraw/zinc/62/98/23/556629823.db2.gz QDBZSWLKAIGDRR-UHFFFAOYSA-N 0 0 425.315 4.135 40 5 IIBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409226533 556635580 /nfs/dbraw/zinc/63/55/80/556635580.db2.gz UGEJEDISEFFXCZ-VIZOYTHASA-N 0 0 435.820 4.062 40 5 IIBBRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409344252 556637507 /nfs/dbraw/zinc/63/75/07/556637507.db2.gz IEQUAXNMYHNAHM-WOJGMQOQSA-N 0 0 425.466 4.393 40 5 IIBBRN CCOC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccc(I)cc3)oc21 ZINC000073641732 556706088 /nfs/dbraw/zinc/70/60/88/556706088.db2.gz MOWUMTXCENDXPE-UHFFFAOYSA-N 0 0 438.177 4.184 40 5 IIBBRN C[C@@H](Oc1ccccc1Cl)c1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1C ZINC000013870612 556747461 /nfs/dbraw/zinc/74/74/61/556747461.db2.gz HEFLIVJBGOAMCH-GFCCVEGCSA-N 0 0 447.904 4.248 40 5 IIBBRN Cc1cccc(C2=N/C(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)O2)c1 ZINC000408976263 556906183 /nfs/dbraw/zinc/90/61/83/556906183.db2.gz QDJDLRZXHHNRDN-BKUYFWCQSA-N 0 0 428.400 4.467 40 5 IIBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)o2)cc1[N+](=O)[O-] ZINC000205707296 557018322 /nfs/dbraw/zinc/01/83/22/557018322.db2.gz GNLMEDDLVMBVEX-RQZCQDPDSA-N 0 0 430.438 4.151 40 5 IIBBRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000409256114 557035053 /nfs/dbraw/zinc/03/50/53/557035053.db2.gz JXWRJQKNEQROGI-UHFFFAOYSA-N 0 0 439.493 4.289 40 5 IIBBRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000013997883 557257120 /nfs/dbraw/zinc/25/71/20/557257120.db2.gz RJWOCACJVMNBFJ-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)c(C)c1 ZINC000101154762 557262484 /nfs/dbraw/zinc/26/24/84/557262484.db2.gz WKNBXXKEUJIMDM-VABKMULXSA-N 0 0 443.459 4.263 40 5 IIBBRN O=C1OC(c2cccc(I)c2)=N/C1=C\C=C\c1ccccc1[N+](=O)[O-] ZINC000000823904 557266347 /nfs/dbraw/zinc/26/63/47/557266347.db2.gz SYEJVZQBMUHXCI-UQSVOVAVSA-N 0 0 446.200 4.100 40 5 IIBBRN CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000220717438 557364645 /nfs/dbraw/zinc/36/46/45/557364645.db2.gz BGQDNVWUIQXHKJ-INIZCTEOSA-N 0 0 439.921 4.048 40 5 IIBBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccccc1 ZINC000102763616 557385241 /nfs/dbraw/zinc/38/52/41/557385241.db2.gz QZSZKPFFTURYGA-HBMCJLEFSA-N 0 0 449.850 4.299 40 5 IIBBRN C[C@H](Oc1ccccc1Cl)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C ZINC000013870617 557391871 /nfs/dbraw/zinc/39/18/71/557391871.db2.gz ZMOHGOWYBYJUJV-LBPRGKRZSA-N 0 0 447.904 4.248 40 5 IIBBRN CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408560647 557416099 /nfs/dbraw/zinc/41/60/99/557416099.db2.gz DTJGNVDFJPTFCY-VZCXRCSSSA-N 0 0 430.417 4.242 40 5 IIBBRN COc1ccc(NC(=O)CSc2nnc(C34CC5CC(CC(C5)C3)C4)o2)c([N+](=O)[O-])c1 ZINC000408580601 557419166 /nfs/dbraw/zinc/41/91/66/557419166.db2.gz CZOUVEILGQTECO-UHFFFAOYSA-N 0 0 444.513 4.185 40 5 IIBBRN Cc1ccc(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCCC3)cc1[N+](=O)[O-] ZINC000408580591 557419417 /nfs/dbraw/zinc/41/94/17/557419417.db2.gz CUXSLQRAOSZSSK-UHFFFAOYSA-N 0 0 426.420 4.322 40 5 IIBBRN Cc1ccc2nsnc2c1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000408576435 557419715 /nfs/dbraw/zinc/41/97/15/557419715.db2.gz XYMGAQFCRZQKEE-UHFFFAOYSA-N 0 0 439.478 4.295 40 5 IIBBRN Cc1c(NC(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000408584555 557420223 /nfs/dbraw/zinc/42/02/23/557420223.db2.gz RIHNWTQBRGADSF-UHFFFAOYSA-N 0 0 445.541 4.086 40 5 IIBBRN CC[C@H](C(=O)N[C@@H](CC)c1ccc(C)cc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222530315 568651509 /nfs/dbraw/zinc/65/15/09/568651509.db2.gz FZVHMMRPSKEHIK-LEWJYISDSA-N 0 0 447.557 4.024 40 5 IIBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223705266 568876502 /nfs/dbraw/zinc/87/65/02/568876502.db2.gz MWRSTHGFROOEGZ-NRFANRHFSA-N 0 0 425.529 4.169 40 5 IIBBRN O=C(CSCCCSCC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000016399765 568887706 /nfs/dbraw/zinc/88/77/06/568887706.db2.gz YTFCHHAYGRCYDQ-UHFFFAOYSA-N 0 0 434.495 4.425 40 5 IIBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224244408 568916714 /nfs/dbraw/zinc/91/67/14/568916714.db2.gz GFRJCJNWSITMAD-QFIPXVFZSA-N 0 0 437.540 4.312 40 5 IIBBRN Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000224295742 568917383 /nfs/dbraw/zinc/91/73/83/568917383.db2.gz QCLGNHZDWWIQPN-UHFFFAOYSA-N 0 0 439.493 4.289 40 5 IIBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000224526835 568937169 /nfs/dbraw/zinc/93/71/69/568937169.db2.gz RTWWPCBDECWWKW-UHFFFAOYSA-N 0 0 431.857 4.301 40 5 IIBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000224529014 568937183 /nfs/dbraw/zinc/93/71/83/568937183.db2.gz BCTLSSXDGAZOFL-MDWZMJQESA-N 0 0 441.440 4.187 40 5 IIBBRN CCn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000006878454 569094496 /nfs/dbraw/zinc/09/44/96/569094496.db2.gz QFWWRVUASHFRCN-UHFFFAOYSA-N 0 0 446.920 4.203 40 5 IIBBRN O=C(NC(=S)Nc1cc(Cl)ccc1O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000017099239 569173571 /nfs/dbraw/zinc/17/35/71/569173571.db2.gz AGPLQBBISAJUEB-UHFFFAOYSA-N 0 0 434.905 4.071 40 5 IIBBRN CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000224626775 569176010 /nfs/dbraw/zinc/17/60/10/569176010.db2.gz GHCCRBMWGFBSQG-UHFFFAOYSA-N 0 0 435.285 4.134 40 5 IIBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224976307 569204760 /nfs/dbraw/zinc/20/47/60/569204760.db2.gz ZYJHENFZBKRIOY-MSOLQXFVSA-N 0 0 443.569 4.160 40 5 IIBBRN CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225139420 569218100 /nfs/dbraw/zinc/21/81/00/569218100.db2.gz AJKCEPPNEHFNCP-INIZCTEOSA-N 0 0 431.920 4.124 40 5 IIBBRN Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3Cl)o2)cc1[N+](=O)[O-] ZINC000012677280 569225031 /nfs/dbraw/zinc/22/50/31/569225031.db2.gz QJGKPDJNJHRGDT-UHFFFAOYSA-N 0 0 434.861 4.249 40 5 IIBBRN Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000033398042 569243871 /nfs/dbraw/zinc/24/38/71/569243871.db2.gz WPMYHMSFXVIOLR-UHFFFAOYSA-N 0 0 426.410 4.198 40 5 IIBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225196189 569272624 /nfs/dbraw/zinc/27/26/24/569272624.db2.gz GLTBWQBTTKPFCP-LJQANCHMSA-N 0 0 431.920 4.124 40 5 IIBBRN CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225226712 569274542 /nfs/dbraw/zinc/27/45/42/569274542.db2.gz VXUOODLISQXAQN-IBGZPJMESA-N 0 0 431.920 4.124 40 5 IIBBRN Cc1c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)cccc1[N+](=O)[O-] ZINC000008810757 569290795 /nfs/dbraw/zinc/29/07/95/569290795.db2.gz KZRNFJPKCAZCKW-UHFFFAOYSA-N 0 0 447.419 4.235 40 5 IIBBRN C[C@@]12C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]1ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000009272173 569294949 /nfs/dbraw/zinc/29/49/49/569294949.db2.gz UOSGPBIVRHWILZ-LGVFNWMJSA-N 0 0 429.432 4.036 40 5 IIBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000009311890 569295434 /nfs/dbraw/zinc/29/54/34/569295434.db2.gz HBXSYPXOUMPLMU-HBMCJLEFSA-N 0 0 449.850 4.299 40 5 IIBBRN Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1cccc2ccccc21 ZINC000013424586 569316127 /nfs/dbraw/zinc/31/61/27/569316127.db2.gz BBPMCVGZHMZOQD-UHFFFAOYSA-N 0 0 449.492 4.186 40 5 IIBBRN O=C(Nc1cccc(Cl)c1N1CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000019642411 569324853 /nfs/dbraw/zinc/32/48/53/569324853.db2.gz OWMGLNWXWAOBFS-UHFFFAOYSA-N 0 0 444.919 4.327 40 5 IIBBRN Cc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(=O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000020412546 569363778 /nfs/dbraw/zinc/36/37/78/569363778.db2.gz QMSVTQKQEQIDEX-UHFFFAOYSA-N 0 0 444.919 4.114 40 5 IIBBRN O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1Cl)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000028628563 569415271 /nfs/dbraw/zinc/41/52/71/569415271.db2.gz UHAXNTKXHILPLR-CAZKKTPXSA-N 0 0 430.847 4.125 40 5 IIBBRN COc1ccc(N[C@@H](NC(=O)c2ccc(C)cc2)C(Cl)(Cl)Cl)cc1[N+](=O)[O-] ZINC000003111975 569440400 /nfs/dbraw/zinc/44/04/00/569440400.db2.gz ZNTYQOWKKCBIFV-INIZCTEOSA-N 0 0 432.691 4.450 40 5 IIBBRN COc1ccccc1NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(C)cc1 ZINC000003187454 569441380 /nfs/dbraw/zinc/44/13/80/569441380.db2.gz HSKLRRWBKKLVDR-RCCKNPSSSA-N 0 0 431.448 4.321 40 5 IIBBRN O=C(Oc1c(=O)c2ccccc2oc1-c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003847600 569456681 /nfs/dbraw/zinc/45/66/81/569456681.db2.gz KPJWUDUVASYVSX-UHFFFAOYSA-N 0 0 432.344 4.496 40 5 IIBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1c3ccccc3C2(Cl)c2ccccc21 ZINC000059418762 569461298 /nfs/dbraw/zinc/46/12/98/569461298.db2.gz KHLDBANMWNUTRJ-CAZKKTPXSA-N 0 0 430.847 4.342 40 5 IIBBRN COC(=O)C1=C(NC(=O)Nc2ccc([N+](=O)[O-])cc2)OC(C)(C)[C@@H]1c1ccc(Cl)cc1 ZINC000008642340 569469559 /nfs/dbraw/zinc/46/95/59/569469559.db2.gz APEJWPBLLUHSIY-QGZVFWFLSA-N 0 0 445.859 4.347 40 5 IIBBRN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nnc2-c2cccnc2)cc1 ZINC000006280195 193895226 /nfs/dbraw/zinc/89/52/26/193895226.db2.gz SGESPCCWIHBBOY-UHFFFAOYSA-N 0 0 446.492 4.277 40 5 IIBBRN CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)Cc1nc2ccc([N+](=O)[O-])cc2[nH]c1=O ZINC000016958065 519840993 /nfs/dbraw/zinc/84/09/93/519840993.db2.gz JGMORPPRUGATOM-UHFFFAOYSA-N 0 0 436.468 4.241 40 5 IIBBRN Cc1cc(OCC(=O)N(Cc2nc(-c3cccs3)no2)C2CCCC2)ccc1[N+](=O)[O-] ZINC000022257577 525356768 /nfs/dbraw/zinc/35/67/68/525356768.db2.gz JJSQZYPONLGTMS-UHFFFAOYSA-N 0 0 442.497 4.365 40 5 IIBBRN Cc1ccc(-c2noc(CN(CC(C)C)C(=O)COc3ccc([N+](=O)[O-])c(C)c3)n2)cc1 ZINC000022257304 525877394 /nfs/dbraw/zinc/87/73/94/525877394.db2.gz FCOFAOCKNIWYJQ-UHFFFAOYSA-N 0 0 438.484 4.325 40 5 IIBBRN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712859 556285060 /nfs/dbraw/zinc/28/50/60/556285060.db2.gz QWAYIRMCKGMZAF-MRXNPFEDSA-N 0 0 446.312 4.085 40 5 IIBBRN O=C(Oc1cccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000059959053 556377829 /nfs/dbraw/zinc/37/78/29/556377829.db2.gz JBXRXUAVOMQOIG-MOSHPQCFSA-N 0 0 432.363 4.298 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC000408738577 556619452 /nfs/dbraw/zinc/61/94/52/556619452.db2.gz SLEQYCUCCIWZPB-OXJNMPFZSA-N 0 0 443.500 4.340 40 5 IIBBRN COc1ccc(CCCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1C ZINC000409010589 556627717 /nfs/dbraw/zinc/62/77/17/556627717.db2.gz CJSLCXMPZOUGCS-UHFFFAOYSA-N 0 0 442.497 4.201 40 5 IIBBRN COc1cc2c(cc1C)-c1nc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)sc1CC2 ZINC000409055275 556629271 /nfs/dbraw/zinc/62/92/71/556629271.db2.gz YGTVAUAXFJCBOS-UHFFFAOYSA-N 0 0 425.466 4.395 40 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4.085 40 5 IIBBRN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1Br ZINC000016226634 568873474 /nfs/dbraw/zinc/87/34/74/568873474.db2.gz CZIWJUDXPULVCS-UHFFFAOYSA-N 0 0 430.052 4.381 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000006280771 568881654 /nfs/dbraw/zinc/88/16/54/568881654.db2.gz KSVZYGMRWGZKDC-UHFFFAOYSA-N 0 0 446.492 4.277 40 5 IIBBRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224077500 568904627 /nfs/dbraw/zinc/90/46/27/568904627.db2.gz VCOBOXGKJYFKFR-SFHVURJKSA-N 0 0 443.569 4.018 40 5 IIBBRN COc1ccc(NC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1Cl ZINC000001777416 568906198 /nfs/dbraw/zinc/90/61/98/568906198.db2.gz RULYVCLSGLWFDQ-UHFFFAOYSA-N 0 0 445.859 4.052 40 5 IIBBRN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000006446366 568906925 /nfs/dbraw/zinc/90/69/25/568906925.db2.gz DZSTUGQPIUVGOM-UHFFFAOYSA-N 0 0 445.504 4.497 40 5 IIBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1cccc([N+](=O)[O-])c1 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HYZOTXSJTKJCMD-UHFFFAOYSA-N 0 0 435.823 4.149 40 5 IIBBRN Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccco4)c3)CC2)cc1C ZINC000010231830 132335141 /nfs/dbraw/zinc/33/51/41/132335141.db2.gz NKLDPMUXEZMXGM-UHFFFAOYSA-N 0 0 434.496 4.379 40 5 IIBBRN CCOc1cc(OCC)cc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 ZINC000016688192 520770024 /nfs/dbraw/zinc/77/00/24/520770024.db2.gz YCDZVBIGYQGKQH-UHFFFAOYSA-N 0 0 433.892 4.008 40 5 IIBBRN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 ZINC000020611891 524875207 /nfs/dbraw/zinc/87/52/07/524875207.db2.gz BRARYQOMCWWJTN-UHFFFAOYSA-N 0 0 440.283 4.064 40 5 IIBBRN O=[N+]([O-])c1ccc2[nH]c(CSc3nnc(-c4cccnc4)n3-c3ccccc3)nc2c1 ZINC000020530597 527380587 /nfs/dbraw/zinc/38/05/87/527380587.db2.gz MHTGEOTZDKHVJV-UHFFFAOYSA-N 0 0 429.465 4.406 40 5 IIBBRN O=C(Cn1nnc2ccccc2c1=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000024522928 527430527 /nfs/dbraw/zinc/43/05/27/527430527.db2.gz VLWJSSYSNZGBPZ-UHFFFAOYSA-N 0 0 436.811 4.028 40 5 IIBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1=O ZINC000408679438 556615116 /nfs/dbraw/zinc/61/51/16/556615116.db2.gz FCKXZMNRDKSULA-CQSZACIVSA-N 0 0 445.431 4.494 40 5 IIBBRN COc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(C)cc2)cc1 ZINC000408694559 556615713 /nfs/dbraw/zinc/61/57/13/556615713.db2.gz KIVBJJNMTNXWFU-UHFFFAOYSA-N 0 0 429.436 4.412 40 5 IIBBRN O=[N+]([O-])c1ccc(Oc2c(Br)cc(Br)cc2CO)c([N+](=O)[O-])c1 ZINC000409121236 556630475 /nfs/dbraw/zinc/63/04/75/556630475.db2.gz TXNAOERPPPEFPX-UHFFFAOYSA-N 0 0 448.023 4.313 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(-c2ccc(C=O)o2)ccc1Cl ZINC000409172456 556632418 /nfs/dbraw/zinc/63/24/18/556632418.db2.gz IQPSRTFULLWVQY-UHFFFAOYSA-N 0 0 442.811 4.425 40 5 IIBBRN CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2C)cc1 ZINC000409195328 556633615 /nfs/dbraw/zinc/63/36/15/556633615.db2.gz HPNMNQDZMJMVNN-MRCUWXFGSA-N 0 0 442.453 4.018 40 5 IIBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccccc2)cc1 ZINC000409267458 556636144 /nfs/dbraw/zinc/63/61/44/556636144.db2.gz VAIGLPDVZYDNQR-UHFFFAOYSA-N 0 0 439.493 4.046 40 5 IIBBRN CCCOc1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409355523 556638131 /nfs/dbraw/zinc/63/81/31/556638131.db2.gz DNTGHYJMNOFLTL-UNOMPAQXSA-N 0 0 426.450 4.303 40 5 IIBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)o1 ZINC000013546319 556695943 /nfs/dbraw/zinc/69/59/43/556695943.db2.gz YJHVYNIXSRNFLD-WQRHYEAKSA-N 0 0 437.383 4.095 40 5 IIBBRN Cc1ccc(-n2nc3ccc(NC(=O)c4cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000013602416 556701374 /nfs/dbraw/zinc/70/13/74/556701374.db2.gz OFEYZCGIOOJWPE-UHFFFAOYSA-N 0 0 432.396 4.106 40 5 IIBBRN CCc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc([N+](=O)[O-])c4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000013687112 556711380 /nfs/dbraw/zinc/71/13/80/556711380.db2.gz BAOOYJHBRZQXGB-VJBWXMMDSA-N 0 0 443.459 4.208 40 5 IIBBRN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013715006 556714766 /nfs/dbraw/zinc/71/47/66/556714766.db2.gz GEFDATSNVYACSP-INIZCTEOSA-N 0 0 446.312 4.085 40 5 IIBBRN C[C@H](Oc1ccccc1Cl)c1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1C ZINC000013870613 556747436 /nfs/dbraw/zinc/74/74/36/556747436.db2.gz HEFLIVJBGOAMCH-LBPRGKRZSA-N 0 0 447.904 4.248 40 5 IIBBRN COc1cc(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000219822602 556917726 /nfs/dbraw/zinc/91/77/26/556917726.db2.gz FBHBMKUHZWRLRV-MRXNPFEDSA-N 0 0 449.463 4.112 40 5 IIBBRN Cc1cc(C)cc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 ZINC000409028834 556924857 /nfs/dbraw/zinc/92/48/57/556924857.db2.gz RFSFEBRLBOBELG-UHFFFAOYSA-N 0 0 439.493 4.046 40 5 IIBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1 ZINC000409155699 556979764 /nfs/dbraw/zinc/97/97/64/556979764.db2.gz MHGHSNMKWGCQEY-SXGWCWSVSA-N 0 0 431.857 4.232 40 5 IIBBRN O=C1[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cc(Oc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 ZINC000013960226 557046599 /nfs/dbraw/zinc/04/65/99/557046599.db2.gz HREGPZMTQIRBRK-MHORFTMASA-N 0 0 449.246 4.361 40 5 IIBBRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 ZINC000057316823 557239662 /nfs/dbraw/zinc/23/96/62/557239662.db2.gz AWRKPYCJQVBCRH-UHFFFAOYSA-N 0 0 444.919 4.195 40 5 IIBBRN O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014272512 557332369 /nfs/dbraw/zinc/33/23/69/557332369.db2.gz KGXVWCDSZIGOQW-UHFFFAOYSA-N 0 0 444.447 4.492 40 5 IIBBRN O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1cccc2c(Br)cccc12 ZINC000014270410 557332603 /nfs/dbraw/zinc/33/26/03/557332603.db2.gz YLSGHCJFTYBXDI-UHFFFAOYSA-N 0 0 445.298 4.142 40 5 IIBBRN Cc1ccc2nsnc2c1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408573733 557419973 /nfs/dbraw/zinc/41/99/73/557419973.db2.gz NTVRUAAXHTZNCI-UHFFFAOYSA-N 0 0 439.478 4.295 40 5 IIBBRN Cc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1NC(=O)c1ccccc1 ZINC000408609880 557421600 /nfs/dbraw/zinc/42/16/00/557421600.db2.gz SJZFUGIRRKBAJV-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN COc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)n2)cc1 ZINC000014152975 557423922 /nfs/dbraw/zinc/42/39/22/557423922.db2.gz DTYRDVWGNBQDME-UHFFFAOYSA-N 0 0 440.481 4.108 40 5 IIBBRN CC[C@H](C)c1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000014269597 557428688 /nfs/dbraw/zinc/42/86/88/557428688.db2.gz XCXIHPMFEAGQKK-HNNXBMFYSA-N 0 0 442.541 4.072 40 5 IIBBRN CC[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222516509 568650072 /nfs/dbraw/zinc/65/00/72/568650072.db2.gz ADSGAXSTKYTRAZ-MRXNPFEDSA-N 0 0 446.312 4.085 40 5 IIBBRN CC[C@H](C(=O)Nc1ccc(Cl)cc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222535581 568651679 /nfs/dbraw/zinc/65/16/79/568651679.db2.gz PKBPEDKNUDYPIE-QGZVFWFLSA-N 0 0 439.921 4.048 40 5 IIBBRN O=C(Oc1ccc(I)cc1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000015325030 568755184 /nfs/dbraw/zinc/75/51/84/568755184.db2.gz SZQYGSGEKPHIRH-UHFFFAOYSA-N 0 0 448.010 4.181 40 5 IIBBRN C[C@H]1Cc2cc(Br)cc3c2n1cc(C(=O)Nc1cccc([N+](=O)[O-])c1)c3=O ZINC000223106811 568779637 /nfs/dbraw/zinc/77/96/37/568779637.db2.gz PGRGDAYOYDZCBI-JTQLQIEISA-N 0 0 428.242 4.042 40 5 IIBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224201431 568915931 /nfs/dbraw/zinc/91/59/31/568915931.db2.gz AJJUCDCNDKYWOD-QFIPXVFZSA-N 0 0 437.540 4.312 40 5 IIBBRN O=C(COc1ccc2ccccc2c1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000016545863 568921231 /nfs/dbraw/zinc/92/12/31/568921231.db2.gz VJFJQWYQGBJWIO-UHFFFAOYSA-N 0 0 425.872 4.129 40 5 IIBBRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000016637121 568926821 /nfs/dbraw/zinc/92/68/21/568926821.db2.gz ZGPDQCUCPNMNFA-UHFFFAOYSA-N 0 0 434.905 4.422 40 5 IIBBRN CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224606003 568941208 /nfs/dbraw/zinc/94/12/08/568941208.db2.gz PQSOWSZRRQWKCK-JOCHJYFZSA-N 0 0 437.540 4.046 40 5 IIBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N(CC)CC)cc2C)cc1[N+](=O)[O-] ZINC000017097039 569172949 /nfs/dbraw/zinc/17/29/49/569172949.db2.gz FQKJTCYNTNPJBO-UHFFFAOYSA-N 0 0 430.530 4.275 40 5 IIBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Br)cc1 ZINC000017101108 569173883 /nfs/dbraw/zinc/17/38/83/569173883.db2.gz OBQCOILPYHDAAU-UHFFFAOYSA-N 0 0 437.300 4.094 40 5 IIBBRN CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 ZINC000033680877 569245767 /nfs/dbraw/zinc/24/57/67/569245767.db2.gz MSWJYBDALAOVAT-OAHLLOKOSA-N 0 0 425.514 4.298 40 5 IIBBRN COc1ccc(N2C(=N)S/C(=C/c3ccc(Br)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000059639330 569249673 /nfs/dbraw/zinc/24/96/73/569249673.db2.gz CZYHZAVDTXFZCA-OXHXXULQSA-N 0 0 434.271 4.422 40 5 IIBBRN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000107642628 569250756 /nfs/dbraw/zinc/25/07/56/569250756.db2.gz NNHIVOWMDMCLOE-UHFFFAOYSA-N 0 0 441.513 4.133 40 5 IIBBRN Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000107909000 569251624 /nfs/dbraw/zinc/25/16/24/569251624.db2.gz YGFWTORMAOXILW-UHFFFAOYSA-N 0 0 428.470 4.213 40 5 IIBBRN CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1ccccc1C ZINC000108925240 569253156 /nfs/dbraw/zinc/25/31/56/569253156.db2.gz MHIKGNHEYZIGBK-HNNXBMFYSA-N 0 0 425.514 4.298 40 5 IIBBRN CCOC(=O)C1CCN(C(=S)Oc2ccc3nc4[nH]c5ccccc5c4nc3c2)CC1 ZINC000038282848 569259043 /nfs/dbraw/zinc/25/90/43/569259043.db2.gz DJDPUPPLUGJXHQ-UHFFFAOYSA-N 0 0 434.521 4.203 40 5 IIBBRN COc1cc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(OC)c1OC ZINC000027562939 569272561 /nfs/dbraw/zinc/27/25/61/569272561.db2.gz MJPGGRBNFIGFTJ-QPJJXVBHSA-N 0 0 437.246 4.035 40 5 IIBBRN Cc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225517951 569305572 /nfs/dbraw/zinc/30/55/72/569305572.db2.gz YMGUUTKNYGAZNA-SFHVURJKSA-N 0 0 443.569 4.078 40 5 IIBBRN CCOc1ccc(C(=O)Nc2cc(C)c(I)cc2C)cc1[N+](=O)[O-] ZINC000019631040 569324177 /nfs/dbraw/zinc/32/41/77/569324177.db2.gz VJAATVAFWYGRPV-UHFFFAOYSA-N 0 0 440.237 4.467 40 5 IIBBRN COc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1-c1ccc(CO)o1 ZINC000020142756 569335986 /nfs/dbraw/zinc/33/59/86/569335986.db2.gz QOVXPCFMMVZSKB-UHFFFAOYSA-N 0 0 437.452 4.208 40 5 IIBBRN O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000021123800 569376933 /nfs/dbraw/zinc/37/69/33/569376933.db2.gz UWLGAOCCTWFJCG-UHFFFAOYSA-N 0 0 449.496 4.004 40 5 IIBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1Cl)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000028628565 569415230 /nfs/dbraw/zinc/41/52/30/569415230.db2.gz UHAXNTKXHILPLR-YQORSWRPSA-N 0 0 430.847 4.125 40 5 IIBBRN CCOC(=O)N1CCN(CCOc2c(C3CCCCC3)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000031923365 569458385 /nfs/dbraw/zinc/45/83/85/569458385.db2.gz ZVRIYIKCGMPHLP-UHFFFAOYSA-N 0 0 439.940 4.449 40 5 IIBBRN CCCC(=O)Oc1ccc(N(C(=O)CCC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000009030448 569497059 /nfs/dbraw/zinc/49/70/59/569497059.db2.gz QNNLQPWUWOWGDR-UHFFFAOYSA-N 0 0 448.497 4.131 40 5 IIBBRN CCc1sc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1[N+](=O)[O-] ZINC000017992497 523077285 /nfs/dbraw/zinc/07/72/85/523077285.db2.gz LUFMHBQKBGNKAD-UHFFFAOYSA-N 0 0 447.553 4.451 40 5 IIBBRN O=C(CN1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000035828020 526804094 /nfs/dbraw/zinc/80/40/94/526804094.db2.gz AVMXLAFLBQCGDD-PUHATCMVSA-N 0 0 427.476 4.041 40 5 IIBBRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 ZINC000020611865 526950245 /nfs/dbraw/zinc/95/02/45/526950245.db2.gz XNANXVWNPFHYKF-UHFFFAOYSA-N 0 0 439.512 4.497 40 5 IIBBRN O=C1C[C@H](c2ccc(F)cc2)Cc2nc3nc(SCc4ccc([N+](=O)[O-])cc4)nn3cc21 ZINC000020671412 527031868 /nfs/dbraw/zinc/03/18/68/527031868.db2.gz ZVPHMUFAHRQFHW-OAHLLOKOSA-N 0 0 449.467 4.377 40 5 IIBBRN O=[N+]([O-])c1ccc(N2CCN(c3ncnc4c(-c5ccc(F)cc5)nsc43)CC2)cc1 ZINC000012639232 527362478 /nfs/dbraw/zinc/36/24/78/527362478.db2.gz ILIQIWHFBRNSGH-UHFFFAOYSA-N 0 0 436.472 4.127 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C)c(C(=O)NC2CCCCC2)c1 ZINC000034882324 555553110 /nfs/dbraw/zinc/55/31/10/555553110.db2.gz HSTVKHKRHFPCKR-UHFFFAOYSA-N 0 0 431.514 4.075 40 5 IIBBRN COc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2cccc(C)c2)cc1 ZINC000408693818 556099442 /nfs/dbraw/zinc/09/94/42/556099442.db2.gz FHQGOMSDXWWWDN-UHFFFAOYSA-N 0 0 429.436 4.412 40 5 IIBBRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000015438744 556527889 /nfs/dbraw/zinc/52/78/89/556527889.db2.gz PQJBSJDZBUXRGW-UHFFFAOYSA-N 0 0 431.857 4.301 40 5 IIBBRN CCOc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccccc2)cc1 ZINC000408695878 556615720 /nfs/dbraw/zinc/61/57/20/556615720.db2.gz UMZQOQXCYFKMLC-UHFFFAOYSA-N 0 0 429.436 4.494 40 5 IIBBRN O=C(c1ccc(Cl)cc1)N(Cc1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408684218 556616653 /nfs/dbraw/zinc/61/66/53/556616653.db2.gz NAUJMXYOMLORRG-UHFFFAOYSA-N 0 0 435.823 4.102 40 5 IIBBRN CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408714776 556617707 /nfs/dbraw/zinc/61/77/07/556617707.db2.gz WQYRIVZZOAMUOV-UHFFFAOYSA-N 0 0 439.428 4.123 40 5 IIBBRN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[C@H]1CCCN1C(=O)Oc1ccccc1 ZINC000408738328 556618823 /nfs/dbraw/zinc/61/88/23/556618823.db2.gz RNMGEQHXIQUBAF-GOSISDBHSA-N 0 0 438.465 4.320 40 5 IIBBRN O=C1CCC[C@@]2(c3ccc([N+](=O)[O-])cc3)[C@H]1[C@H]1C(=O)CCC[C@@]12c1ccc([N+](=O)[O-])cc1 ZINC000005051908 556627597 /nfs/dbraw/zinc/62/75/97/556627597.db2.gz VBZAFOXGSKTOGM-MOUTVQLLSA-N 0 0 434.448 4.431 40 5 IIBBRN CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409173408 556632495 /nfs/dbraw/zinc/63/24/95/556632495.db2.gz MJJPLPUABRTCST-LICLKQGHSA-N 0 0 445.859 4.139 40 5 IIBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O ZINC000409177604 556632802 /nfs/dbraw/zinc/63/28/02/556632802.db2.gz AWWGSHGGEUKXJG-UHFFFAOYSA-N 0 0 436.807 4.406 40 5 IIBBRN O=C(CN1C(=O)SC(=Cc2cccn2Cc2ccccc2[N+](=O)[O-])C1=O)c1ccccc1 ZINC000409226659 556635577 /nfs/dbraw/zinc/63/55/77/556635577.db2.gz QOHRPARPGMBVEK-FYJGNVAPSA-N 0 0 447.472 4.364 40 5 IIBBRN CCCN1C(=O)N/C(=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409255882 556635811 /nfs/dbraw/zinc/63/58/11/556635811.db2.gz ZYUSSTCQZCJHEH-LICLKQGHSA-N 0 0 445.859 4.139 40 5 IIBBRN CC(C)Oc1ccccc1C=C1SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409326362 556637370 /nfs/dbraw/zinc/63/73/70/556637370.db2.gz AXVBFWIPBWZGNC-ODLFYWEKSA-N 0 0 426.450 4.301 40 5 IIBBRN COC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C\c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000033984302 556747562 /nfs/dbraw/zinc/74/75/62/556747562.db2.gz XTFPDGZNWTZCMF-JXOZOUPFSA-N 0 0 448.475 4.259 40 5 IIBBRN O=C1c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C(=O)N1CCCO ZINC000408992379 556911979 /nfs/dbraw/zinc/91/19/79/556911979.db2.gz AUFXJLGCFZISPM-UHFFFAOYSA-N 0 0 425.828 4.123 40 5 IIBBRN COc1cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)c([N+](=O)[O-])cc1OC ZINC000409038666 556927894 /nfs/dbraw/zinc/92/78/94/556927894.db2.gz QAGGXGLVKXRETG-ODLFYWEKSA-N 0 0 444.465 4.036 40 5 IIBBRN COC(=O)C(=Cc1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OC ZINC000409087288 556950873 /nfs/dbraw/zinc/95/08/73/556950873.db2.gz YFFSSQDLULGPGK-UHFFFAOYSA-N 0 0 425.315 4.135 40 5 IIBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)cc1[N+](=O)[O-])C1(Cl)c3ccccc3C2c2ccccc21 ZINC000409177995 556986818 /nfs/dbraw/zinc/98/68/18/556986818.db2.gz IBXBRYFVXANHJB-YQORSWRPSA-N 0 0 448.837 4.481 40 5 IIBBRN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(Cl)c(Br)c1 ZINC000409196647 556994738 /nfs/dbraw/zinc/99/47/38/556994738.db2.gz QRGMPDFDIKJACB-UHFFFAOYSA-N 0 0 448.056 4.460 40 5 IIBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000409214443 557008891 /nfs/dbraw/zinc/00/88/91/557008891.db2.gz VHWNSLKGPCFQNK-VAKHEIKFSA-N 0 0 430.438 4.233 40 5 IIBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](C)Oc1ccccc1 ZINC000409335711 557072485 /nfs/dbraw/zinc/07/24/85/557072485.db2.gz YWKDZQYRUPGESV-OAHLLOKOSA-N 0 0 441.513 4.385 40 5 IIBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(-c2ccc(C=O)o2)ccc1Cl ZINC000409412294 557105547 /nfs/dbraw/zinc/10/55/47/557105547.db2.gz GKKSPCOCOGZCGE-UHFFFAOYSA-N 0 0 442.811 4.425 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CNc2cccc(Cl)c2)o1 ZINC000000786255 557175458 /nfs/dbraw/zinc/17/54/58/557175458.db2.gz PCXACBLBMREXOG-UHFFFAOYSA-N 0 0 433.877 4.283 40 5 IIBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cc(Cl)ccc1OC ZINC000014084748 557298938 /nfs/dbraw/zinc/29/89/38/557298938.db2.gz IFEWAUBOHZEIDF-UHFFFAOYSA-N 0 0 447.904 4.266 40 5 IIBBRN CCc1cc2cc3c(cc2nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)OCO3 ZINC000013503599 557338957 /nfs/dbraw/zinc/33/89/57/557338957.db2.gz WTAJYPYZSWDBQW-UHFFFAOYSA-N 0 0 441.465 4.174 40 5 IIBBRN O=C(Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl)c1cccc(Br)c1 ZINC000072229299 557343565 /nfs/dbraw/zinc/34/35/65/557343565.db2.gz WLFSRACYFCRQFQ-UHFFFAOYSA-N 0 0 440.681 4.100 40 5 IIBBRN O=C1[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)N(c3ccccc3)O[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102730968 557371260 /nfs/dbraw/zinc/37/12/60/557371260.db2.gz IPOJZKGPOKENFE-HKBOAZHASA-N 0 0 449.850 4.299 40 5 IIBBRN CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102756652 557379467 /nfs/dbraw/zinc/37/94/67/557379467.db2.gz IYRZRYZMLBGFCS-XPWALMASSA-N 0 0 443.459 4.208 40 5 IIBBRN CC(=O)c1ccc(N2C(=O)c3cccc4c3c(cc([N+](=O)[O-])c4N3CCCC3)C2=O)cc1 ZINC000408529293 557413327 /nfs/dbraw/zinc/41/33/27/557413327.db2.gz JBRZNXHTQBBFQP-UHFFFAOYSA-N 0 0 429.432 4.351 40 5 IIBBRN COc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccccc1 ZINC000408566298 557416987 /nfs/dbraw/zinc/41/69/87/557416987.db2.gz FGMJOBWATMXSDW-QGZVFWFLSA-N 0 0 449.330 4.457 40 5 IIBBRN CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(CC)c1-c1ccc(F)cc1 ZINC000408561928 557416995 /nfs/dbraw/zinc/41/69/95/557416995.db2.gz LRVHZBIKRUCTAB-XDOYNYLZSA-N 0 0 444.444 4.496 40 5 IIBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(OC)c1OC ZINC000408573686 557418916 /nfs/dbraw/zinc/41/89/16/557418916.db2.gz UBPPOOJYGIAQDD-IBGZPJMESA-N 0 0 444.513 4.020 40 5 IIBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O ZINC000408640876 557424444 /nfs/dbraw/zinc/42/44/44/557424444.db2.gz KCQZFGCYDSYKFI-INIZCTEOSA-N 0 0 447.447 4.387 40 5 IIBBRN Cc1ccc(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000408643337 557424768 /nfs/dbraw/zinc/42/47/68/557424768.db2.gz AJKXSNPVIAZYEP-LLVKDONJSA-N 0 0 427.240 4.159 40 5 IIBBRN O=C(CCCC(=O)OCC(=O)Nc1cccc2ccccc21)Nc1cccc([N+](=O)[O-])c1 ZINC000408664049 557427981 /nfs/dbraw/zinc/42/79/81/557427981.db2.gz IUXJPVGBPKBKIW-UHFFFAOYSA-N 0 0 435.436 4.039 40 5 IIBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000044880090 557538461 /nfs/dbraw/zinc/53/84/61/557538461.db2.gz AJOKWDWAGQUDMW-UHFFFAOYSA-N 0 0 431.857 4.301 40 5 IIBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225529638 557839920 /nfs/dbraw/zinc/83/99/20/557839920.db2.gz LWAONECDPMCCJH-NQIIRXRSSA-N 0 0 425.529 4.168 40 5 IIBBRN CCc1cccc(CC)c1NC(=O)[C@H](CC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222537597 568651765 /nfs/dbraw/zinc/65/17/65/568651765.db2.gz VNIMXSGPGHXVGH-IBGZPJMESA-N 0 0 447.557 4.211 40 5 IIBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222629194 568655318 /nfs/dbraw/zinc/65/53/18/568655318.db2.gz UKCAMEVIVBEHEV-KRWDZBQOSA-N 0 0 443.569 4.160 40 5 IIBBRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222889084 568736669 /nfs/dbraw/zinc/73/66/69/568736669.db2.gz WOYDEABVWGACNR-HNNXBMFYSA-N 0 0 449.960 4.035 40 5 IIBBRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2)c1 ZINC000015411258 568761895 /nfs/dbraw/zinc/76/18/95/568761895.db2.gz UGEQCSUYGFNTKF-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223032115 568775723 /nfs/dbraw/zinc/77/57/23/568775723.db2.gz VYYJKOTUZMSARC-JKSUJKDBSA-N 0 0 431.920 4.123 40 5 IIBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223195283 568784651 /nfs/dbraw/zinc/78/46/51/568784651.db2.gz PIMBGEPODXRDLO-MRXNPFEDSA-N 0 0 431.920 4.124 40 5 IIBBRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223685189 568876447 /nfs/dbraw/zinc/87/64/47/568876447.db2.gz DABFDZXUKIQBOZ-HNNXBMFYSA-N 0 0 449.960 4.035 40 5 IIBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223809734 568877480 /nfs/dbraw/zinc/87/74/80/568877480.db2.gz NUUNHDKZYJSRDS-FQEVSTJZSA-N 0 0 429.492 4.000 40 5 IIBBRN O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)Nc1cccc(Cl)c1 ZINC000016399007 568887709 /nfs/dbraw/zinc/88/77/09/568887709.db2.gz FEPDVGFOGGSMNY-UHFFFAOYSA-N 0 0 438.874 4.182 40 5 IIBBRN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000224109248 568905411 /nfs/dbraw/zinc/90/54/11/568905411.db2.gz GGEXMRSCUHYMCP-UHFFFAOYSA-N 0 0 445.884 4.326 40 5 IIBBRN CCN(c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1)S(=O)(=O)c1ccccc1 ZINC000224361160 568923519 /nfs/dbraw/zinc/92/35/19/568923519.db2.gz USDNFMAWMBBRHD-UHFFFAOYSA-N 0 0 439.493 4.371 40 5 IIBBRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000017101897 569173287 /nfs/dbraw/zinc/17/32/87/569173287.db2.gz SZZXXQAHFIGMBY-UHFFFAOYSA-N 0 0 438.303 4.110 40 5 IIBBRN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000017098382 569173432 /nfs/dbraw/zinc/17/34/32/569173432.db2.gz AHKINNZNKPFWDA-UHFFFAOYSA-N 0 0 433.449 4.233 40 5 IIBBRN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000017102192 569173554 /nfs/dbraw/zinc/17/35/54/569173554.db2.gz CLJXHOLLGMWNIK-UHFFFAOYSA-N 0 0 438.490 4.493 40 5 IIBBRN O=C(Cc1ccccc1)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000009062401 569219651 /nfs/dbraw/zinc/21/96/51/569219651.db2.gz WCKRTPGMZGFNEX-UHFFFAOYSA-N 0 0 443.419 4.078 40 5 IIBBRN Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000009062403 569219654 /nfs/dbraw/zinc/21/96/54/569219654.db2.gz NKYGUMHWUKXSEW-UHFFFAOYSA-N 0 0 443.419 4.458 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C ZINC000010314944 569222729 /nfs/dbraw/zinc/22/27/29/569222729.db2.gz RZUQIAWWYWJCFN-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000034877924 569247948 /nfs/dbraw/zinc/24/79/48/569247948.db2.gz HOUIZKVLDWRTIY-UHFFFAOYSA-N 0 0 441.513 4.133 40 5 IIBBRN Cc1c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)c(F)c2)cccc1[N+](=O)[O-] ZINC000008810922 569290843 /nfs/dbraw/zinc/29/08/43/569290843.db2.gz FXQLFCZXPACHDZ-UHFFFAOYSA-N 0 0 447.419 4.235 40 5 IIBBRN Cn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccccc1Cl ZINC000009810660 569298131 /nfs/dbraw/zinc/29/81/31/569298131.db2.gz ZDPFUTVCMXPBDS-UHFFFAOYSA-N 0 0 438.296 4.428 40 5 IIBBRN Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O ZINC000010434431 569300102 /nfs/dbraw/zinc/30/01/02/569300102.db2.gz JMNIPIASJGJYNP-LLVKDONJSA-N 0 0 446.312 4.003 40 5 IIBBRN COC(=O)c1c(C)c(C(=O)NC2CCCCC2)sc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013424290 569316068 /nfs/dbraw/zinc/31/60/68/569316068.db2.gz IZAIYFCZPRMNEK-UHFFFAOYSA-N 0 0 445.497 4.066 40 5 IIBBRN CCNc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329020368 569321842 /nfs/dbraw/zinc/32/18/42/569321842.db2.gz OBUKRINSLHOWIH-UHFFFAOYSA-N 0 0 437.353 4.109 40 5 IIBBRN CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000019636459 569324136 /nfs/dbraw/zinc/32/41/36/569324136.db2.gz GJPFEBMPKMWXCZ-OAHLLOKOSA-N 0 0 442.541 4.072 40 5 IIBBRN Cc1cc(C(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)ccc1[N+](=O)[O-] ZINC000057317230 569430840 /nfs/dbraw/zinc/43/08/40/569430840.db2.gz YFNQNEMMTAFFEU-UHFFFAOYSA-N 0 0 431.773 4.075 40 5 IIBBRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1OC ZINC000032115529 569460279 /nfs/dbraw/zinc/46/02/79/569460279.db2.gz ZBEGTAZSABTUQQ-UHFFFAOYSA-N 0 0 444.513 4.167 40 5 IIBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 ZINC000059503328 569461674 /nfs/dbraw/zinc/46/16/74/569461674.db2.gz NPCPMPDUCVSLEO-ZRDDSIGQSA-N 0 0 430.847 4.125 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc2c(n1)[C@]1(C)CC[C@H]2C1(C)C ZINC000008435626 569464297 /nfs/dbraw/zinc/46/42/97/569464297.db2.gz MZCHETKOFCDYCU-UPBLURMWSA-N 0 0 427.530 4.382 40 5 IIBBRN COc1ccc2nccc(/C=C3/[C@@H](OC(=O)c4ccc([N+](=O)[O-])cc4)C4CCN3CC4)c2c1 ZINC000008628934 569469421 /nfs/dbraw/zinc/46/94/21/569469421.db2.gz HLNANWMLDWVFBH-BJYRUZDYSA-N 0 0 445.475 4.444 40 5 IIBBRN COc1ccc2nccc(/C=C3/[C@H](OC(=O)c4ccc([N+](=O)[O-])cc4)C4CCN3CC4)c2c1 ZINC000008628933 569469457 /nfs/dbraw/zinc/46/94/57/569469457.db2.gz HLNANWMLDWVFBH-JXCKLXDISA-N 0 0 445.475 4.444 40 5 IIBBRN CCOc1ccc(C(=O)NC(=S)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000027831690 569584539 /nfs/dbraw/zinc/58/45/39/569584539.db2.gz ZEOBWFPCTRNDEM-UHFFFAOYSA-N 0 0 428.495 4.244 40 5 IIBBRN O=C(c1noc(-c2cccs2)c1S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000016491574 526930233 /nfs/dbraw/zinc/93/02/33/526930233.db2.gz ZQLZHZIKYSZLQE-UHFFFAOYSA-N 0 0 440.458 4.375 40 5 IIBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020571690 527375007 /nfs/dbraw/zinc/37/50/07/527375007.db2.gz MGXCGIATWDKMCS-UHFFFAOYSA-N 0 0 431.857 4.301 40 5 IIBBRN CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000035085390 555727194 /nfs/dbraw/zinc/72/71/94/555727194.db2.gz BIUMLSCIHUEOQD-UHFFFAOYSA-N 0 0 441.513 4.133 40 5 IIBBRN O=C(NN1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408653998 556613504 /nfs/dbraw/zinc/61/35/04/556613504.db2.gz QHVZUBINTUQJHW-UHFFFAOYSA-N 0 0 449.033 4.149 40 5 IIBBRN O=C1N/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(F)cc1 ZINC000409014384 556627400 /nfs/dbraw/zinc/62/74/00/556627400.db2.gz PIFHUVNIASNYGO-FYJGNVAPSA-N 0 0 447.422 4.406 40 5 IIBBRN O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000409022987 556628456 /nfs/dbraw/zinc/62/84/56/556628456.db2.gz BHWQXFUNLSOGHD-UHFFFAOYSA-N 0 0 445.884 4.082 40 5 IIBBRN O=C(CSc1nnc(-c2ccccc2O)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000409380643 556639150 /nfs/dbraw/zinc/63/91/50/556639150.db2.gz AJDWUZKHWHUSGU-UHFFFAOYSA-N 0 0 447.476 4.279 40 5 IIBBRN CN(c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409410188 556639270 /nfs/dbraw/zinc/63/92/70/556639270.db2.gz KWSKSILECWRLAR-UHFFFAOYSA-N 0 0 445.884 4.326 40 5 IIBBRN C[C@@H](Oc1ccccc1Cl)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C ZINC000013870616 556747465 /nfs/dbraw/zinc/74/74/65/556747465.db2.gz ZMOHGOWYBYJUJV-GFCCVEGCSA-N 0 0 447.904 4.248 40 5 IIBBRN Cc1ccc(C(=O)Oc2ccccc2/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 ZINC000408847340 556869161 /nfs/dbraw/zinc/86/91/61/556869161.db2.gz VDHKMAZVZBZBTJ-XSFVSMFZSA-N 0 0 428.400 4.467 40 5 IIBBRN COc1ccc(CCCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1 ZINC000409013466 556917930 /nfs/dbraw/zinc/91/79/30/556917930.db2.gz KLZWUQMSVPLSAK-UHFFFAOYSA-N 0 0 442.497 4.201 40 5 IIBBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O ZINC000409011617 556918147 /nfs/dbraw/zinc/91/81/47/556918147.db2.gz NXXVMKRDWZBOAH-YXHQGMJNSA-N 0 0 430.438 4.151 40 5 IIBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O ZINC000409071031 556945328 /nfs/dbraw/zinc/94/53/28/556945328.db2.gz IDAPUZMRDDOLRE-AVPSXBMNSA-N 0 0 436.829 4.106 40 5 IIBBRN CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000409179707 556987717 /nfs/dbraw/zinc/98/77/17/556987717.db2.gz NJCMJPQBWFAJHW-PJYWLYPCSA-N 0 0 442.446 4.479 40 5 IIBBRN COCCCN1C(=O)S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409236110 557018284 /nfs/dbraw/zinc/01/82/84/557018284.db2.gz RBRHYINJWISDIS-CPNJWEJPSA-N 0 0 428.466 4.247 40 5 IIBBRN O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)Nc1cccc2ccccc21 ZINC000409359364 557085913 /nfs/dbraw/zinc/08/59/13/557085913.db2.gz NIFMCXIHYDDCNV-XDHOZWIPSA-N 0 0 433.445 4.423 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000220390727 557135147 /nfs/dbraw/zinc/13/51/47/557135147.db2.gz BQAUFYSBNKPPCX-NSHDSACASA-N 0 0 446.312 4.003 40 5 IIBBRN CCCCc1ccc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000220390381 557135169 /nfs/dbraw/zinc/13/51/69/557135169.db2.gz GKQSBJIZCYMDOX-MRXNPFEDSA-N 0 0 433.530 4.039 40 5 IIBBRN CCCOc1ccc([N+](=O)[O-])cc1[C@@H]1Nc2ccccc2[C@@H]2C(=O)NC(SCC)=NN12 ZINC000588229078 557155415 /nfs/dbraw/zinc/15/54/15/557155415.db2.gz CDYFNAOCMSDVPA-RTBURBONSA-N 0 0 441.513 4.005 40 5 IIBBRN Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101141355 557261758 /nfs/dbraw/zinc/26/17/58/557261758.db2.gz RTJLZRYWKMSIAW-VJBWXMMDSA-N 0 0 443.459 4.263 40 5 IIBBRN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000220703577 557364874 /nfs/dbraw/zinc/36/48/74/557364874.db2.gz NUZXBNKKLRHINF-MRXNPFEDSA-N 0 0 446.312 4.085 40 5 IIBBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccccc1Cl ZINC000102710656 557367930 /nfs/dbraw/zinc/36/79/30/557367930.db2.gz ZQCIRMREFLSTAI-HBMCJLEFSA-N 0 0 449.850 4.299 40 5 IIBBRN COc1ccc(OC)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)c1 ZINC000408570588 557417586 /nfs/dbraw/zinc/41/75/86/557417586.db2.gz LLMXPUVQVLNXBB-SFHVURJKSA-N 0 0 434.905 4.356 40 5 IIBBRN CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1OC ZINC000408577401 557420017 /nfs/dbraw/zinc/42/00/17/557420017.db2.gz ZGYRCUDORNIDAX-LJQANCHMSA-N 0 0 432.477 4.232 40 5 IIBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)C2CCCCC2)cc1 ZINC000408585788 557420532 /nfs/dbraw/zinc/42/05/32/557420532.db2.gz IPIHSOHNQPQGPQ-UHFFFAOYSA-N 0 0 445.541 4.174 40 5 IIBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OC ZINC000408604652 557421016 /nfs/dbraw/zinc/42/10/16/557421016.db2.gz DPDSKXVQZAIDDZ-UHFFFAOYSA-N 0 0 428.226 4.219 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000014411231 557444438 /nfs/dbraw/zinc/44/44/38/557444438.db2.gz NHLNLPBYLDDZPQ-UHFFFAOYSA-N 0 0 439.493 4.122 40 5 IIBBRN Cn1c(=O)nc2n(-c3ccc(C4CCCCC4)cc3)c3ccc([N+](=O)[O-])cc3cc-2c1=O ZINC000059497863 557826325 /nfs/dbraw/zinc/82/63/25/557826325.db2.gz LJOJEIOHMZDGAR-UHFFFAOYSA-N 0 0 430.464 4.145 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 ZINC000000867601 557831980 /nfs/dbraw/zinc/83/19/80/557831980.db2.gz LMIJVVWLYJOAHE-UHFFFAOYSA-N 0 0 435.465 4.475 40 5 IIBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)o1 ZINC000000886078 557851338 /nfs/dbraw/zinc/85/13/38/557851338.db2.gz FYXTWANUUVABAD-NHDPSOOVSA-N 0 0 447.472 4.251 40 5 IIBBRN Cn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Br)cc1 ZINC000000902368 568635575 /nfs/dbraw/zinc/63/55/75/568635575.db2.gz BEIJEIYZZVJXDB-UHFFFAOYSA-N 0 0 433.287 4.128 40 5 IIBBRN CC[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222516457 568649960 /nfs/dbraw/zinc/64/99/60/568649960.db2.gz ADSGAXSTKYTRAZ-INIZCTEOSA-N 0 0 446.312 4.085 40 5 IIBBRN CC[C@@H](C(=O)Nc1cccc2ccccc21)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222532608 568651412 /nfs/dbraw/zinc/65/14/12/568651412.db2.gz YQYBMMRMBQTZIS-FQEVSTJZSA-N 0 0 441.509 4.240 40 5 IIBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222557966 568652816 /nfs/dbraw/zinc/65/28/16/568652816.db2.gz HOSZGIYZFGIZRF-IBGZPJMESA-N 0 0 431.920 4.123 40 5 IIBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223032232 568775806 /nfs/dbraw/zinc/77/58/06/568775806.db2.gz VYYJKOTUZMSARC-HOTGVXAUSA-N 0 0 431.920 4.123 40 5 IIBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223182259 568784085 /nfs/dbraw/zinc/78/40/85/568784085.db2.gz DFCPQMKSZHWNSY-FQEVSTJZSA-N 0 0 425.529 4.168 40 5 IIBBRN CCCC[C@H](CC)CNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223525385 568861183 /nfs/dbraw/zinc/86/11/83/568861183.db2.gz XRQUCVZHNWUNEK-SFHVURJKSA-N 0 0 447.557 4.123 40 5 IIBBRN Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1[N+](=O)[O-] ZINC000223582126 568875753 /nfs/dbraw/zinc/87/57/53/568875753.db2.gz DFPJHXQOVNLIJV-UHFFFAOYSA-N 0 0 444.513 4.071 40 5 IIBBRN CCOP(=O)(OCC)O[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000001637906 568877154 /nfs/dbraw/zinc/87/71/54/568877154.db2.gz KAMNHDQESIZJNO-ZWKOTPCHSA-N 0 0 440.345 4.475 40 5 IIBBRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224077452 568904621 /nfs/dbraw/zinc/90/46/21/568904621.db2.gz VCOBOXGKJYFKFR-GOSISDBHSA-N 0 0 443.569 4.018 40 5 IIBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000224528252 568937158 /nfs/dbraw/zinc/93/71/58/568937158.db2.gz KSTPBBGWMUYVJZ-UHFFFAOYSA-N 0 0 449.847 4.440 40 5 IIBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224595792 568940951 /nfs/dbraw/zinc/94/09/51/568940951.db2.gz JWJVHTSOKLQEAE-NRFANRHFSA-N 0 0 425.529 4.025 40 5 IIBBRN CCn1c(CNc2ccccc2Cl)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006878376 569094645 /nfs/dbraw/zinc/09/46/45/569094645.db2.gz JWEDINWKXNVAPZ-UHFFFAOYSA-N 0 0 446.920 4.203 40 5 IIBBRN COc1ccc(C(=O)COC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1[N+](=O)[O-] ZINC000138853086 569118752 /nfs/dbraw/zinc/11/87/52/569118752.db2.gz KEBVKGJCWWWIFR-UHFFFAOYSA-N 0 0 448.431 4.204 40 5 IIBBRN COc1ccc(NC(=S)NC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1[N+](=O)[O-] ZINC000017096747 569172501 /nfs/dbraw/zinc/17/25/01/569172501.db2.gz VVISAIDPEDHTJD-UHFFFAOYSA-N 0 0 430.269 4.046 40 5 IIBBRN COc1ccc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000017094722 569172699 /nfs/dbraw/zinc/17/26/99/569172699.db2.gz MDRJVMGWBYLLAT-XVNBXDOJSA-N 0 0 426.281 4.437 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000017094781 569172734 /nfs/dbraw/zinc/17/27/34/569172734.db2.gz AABAVGDNEOPLEP-UHFFFAOYSA-N 0 0 426.410 4.198 40 5 IIBBRN Cc1cc(C)c(O)c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000017095916 569172822 /nfs/dbraw/zinc/17/28/22/569172822.db2.gz JXCQOXXOHGAQTK-UHFFFAOYSA-N 0 0 428.514 4.034 40 5 IIBBRN CC[C@@H](C)c1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000017097733 569173911 /nfs/dbraw/zinc/17/39/11/569173911.db2.gz MRAJQXHETYMLPK-MRXNPFEDSA-N 0 0 431.920 4.489 40 5 IIBBRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224706271 569181968 /nfs/dbraw/zinc/18/19/68/569181968.db2.gz GMIXUTUNRGHVCM-SFHVURJKSA-N 0 0 443.569 4.080 40 5 IIBBRN Cc1ccc(Cl)cc1N(CCCC(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O ZINC000010332930 569223423 /nfs/dbraw/zinc/22/34/23/569223423.db2.gz PBMQNOOAOANLHX-UHFFFAOYSA-N 0 0 439.921 4.050 40 5 IIBBRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2)cc1 ZINC000010356892 569223637 /nfs/dbraw/zinc/22/36/37/569223637.db2.gz XTXIZVMEBPFOFL-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCc4ccc([N+](=O)[O-])cc4)cc3C2=O)c1 ZINC000011185781 569224621 /nfs/dbraw/zinc/22/46/21/569224621.db2.gz YPUZWQHFDSVPSV-UHFFFAOYSA-N 0 0 430.416 4.369 40 5 IIBBRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2C)cc1 ZINC000033751498 569246585 /nfs/dbraw/zinc/24/65/85/569246585.db2.gz UNLKIHCOBCAVSH-CQSZACIVSA-N 0 0 426.498 4.401 40 5 IIBBRN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000107705250 569251019 /nfs/dbraw/zinc/25/10/19/569251019.db2.gz SYPAFXXSXBVMQC-UHFFFAOYSA-N 0 0 430.373 4.029 40 5 IIBBRN COc1ccc([C@@H]2[C@@H]([N+](=O)[O-])[C@@H]3c4ccccc4C=NN3[C@@H]2C(=O)c2ccccc2)cc1 ZINC000008970890 569292686 /nfs/dbraw/zinc/29/26/86/569292686.db2.gz BXQZNEAZIRJQPO-QPXUXIHVSA-N 0 0 427.460 4.080 40 5 IIBBRN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCc4cccc([N+](=O)[O-])c4)cc3C2=O)c1 ZINC000011185791 569301865 /nfs/dbraw/zinc/30/18/65/569301865.db2.gz LFCDDGXYQIYTCH-UHFFFAOYSA-N 0 0 430.416 4.369 40 5 IIBBRN Cc1ccccc1CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)NC(C)C ZINC000225478133 569303497 /nfs/dbraw/zinc/30/34/97/569303497.db2.gz RVDHQOWVIKZURC-SFHVURJKSA-N 0 0 443.569 4.078 40 5 IIBBRN CC[C@H](NC(=O)[C@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000260512536 569307137 /nfs/dbraw/zinc/30/71/37/569307137.db2.gz XRTGOOUGTRVMNJ-SFTDATJTSA-N 0 0 447.557 4.024 40 5 IIBBRN COC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013401198 569315315 /nfs/dbraw/zinc/31/53/15/569315315.db2.gz LJHTZDBHSZDELR-UHFFFAOYSA-N 0 0 439.449 4.256 40 5 IIBBRN Cc1nnc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)n1CCc1ccccc1 ZINC000013425459 569316131 /nfs/dbraw/zinc/31/61/31/569316131.db2.gz MTJDSFCORNFTMG-HNNXBMFYSA-N 0 0 425.514 4.165 40 5 IIBBRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)cc2s1 ZINC000019638324 569324995 /nfs/dbraw/zinc/32/49/95/569324995.db2.gz POLBURIVWQDUJD-UHFFFAOYSA-N 0 0 443.510 4.070 40 5 IIBBRN Cc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 ZINC000019929103 569332040 /nfs/dbraw/zinc/33/20/40/569332040.db2.gz CQBHWRFTJNJOBQ-UHFFFAOYSA-N 0 0 434.861 4.249 40 5 IIBBRN CCCCOC(=O)c1ccc2nc(NC(=O)COc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000020411546 569364035 /nfs/dbraw/zinc/36/40/35/569364035.db2.gz KDLPHPZIGNOOQL-UHFFFAOYSA-N 0 0 429.454 4.179 40 5 IIBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225559005 569404311 /nfs/dbraw/zinc/40/43/11/569404311.db2.gz PWULNGOHMQOXFM-RXVVDRJESA-N 0 0 425.529 4.168 40 5 IIBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000038856365 569469285 /nfs/dbraw/zinc/46/92/85/569469285.db2.gz WCWAKOAMZJFWPL-UHFFFAOYSA-N 0 0 448.317 4.217 40 5 IIBBRN CC(C)CC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000039756243 569481867 /nfs/dbraw/zinc/48/18/67/569481867.db2.gz YJXCCPQWLGMLKM-UHFFFAOYSA-N 0 0 425.470 4.350 40 5 IIBBRN CCCCc1ccc2nc(NC(=S)NC(=O)COc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000032118655 569583636 /nfs/dbraw/zinc/58/36/36/569583636.db2.gz UOWGMDMHCACNKY-UHFFFAOYSA-N 0 0 444.538 4.439 40 5 IIBBRN CC(C)c1ccc(-n2nc3ccc(NC(=O)COc4ccccc4[N+](=O)[O-])cc3n2)cc1 ZINC000020610686 519834200 /nfs/dbraw/zinc/83/42/00/519834200.db2.gz KNZDAHVWPVMMSM-UHFFFAOYSA-N 0 0 431.452 4.470 40 5 IIBBRN CCOP(=O)(OCC)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000002686443 520243135 /nfs/dbraw/zinc/24/31/35/520243135.db2.gz BCHKNFJDINBGLK-LBPRGKRZSA-N 0 0 433.612 4.287 40 5 IIBBRN CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000022257347 521444609 /nfs/dbraw/zinc/44/46/09/521444609.db2.gz YGVGGSASMDVUBZ-UHFFFAOYSA-N 0 0 430.848 4.034 40 5 IIBBRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)n1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000012524764 526697550 /nfs/dbraw/zinc/69/75/50/526697550.db2.gz QVHZZOWHZWUSLN-UHFFFAOYSA-N 0 0 438.443 4.445 40 5 IIBBRN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000013452152 555952227 /nfs/dbraw/zinc/95/22/27/555952227.db2.gz WCGATRGVQKWDNY-UHFFFAOYSA-N 0 0 446.488 4.084 40 5 IIBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000220005840 556546637 /nfs/dbraw/zinc/54/66/37/556546637.db2.gz ASCJMSUTVODDQI-UHFFFAOYSA-N 0 0 437.905 4.065 40 5 IIBBRN COc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1Br ZINC000016226687 556592851 /nfs/dbraw/zinc/59/28/51/556592851.db2.gz DUHZQONUGGFWLK-UHFFFAOYSA-N 0 0 444.694 4.146 40 5 IIBBRN COc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(F)cc2)cc1 ZINC000408693734 556615743 /nfs/dbraw/zinc/61/57/43/556615743.db2.gz CRKDKRWMUGFVSN-UHFFFAOYSA-N 0 0 433.399 4.243 40 5 IIBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000408906524 556623308 /nfs/dbraw/zinc/62/33/08/556623308.db2.gz GNIFDHLTIUEWJR-LZWSPWQCSA-N 0 0 441.440 4.187 40 5 IIBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(C(=O)OCc2cccc([N+](=O)[O-])c2)c1 ZINC000409176974 556632760 /nfs/dbraw/zinc/63/27/60/556632760.db2.gz CUBAVOKRQYTEGG-UHFFFAOYSA-N 0 0 436.376 4.217 40 5 IIBBRN Cc1cccc(C)c1N1C(=O)c2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2C1=O ZINC000409178721 556632797 /nfs/dbraw/zinc/63/27/97/556632797.db2.gz NZMHILRABGYFAX-UHFFFAOYSA-N 0 0 430.416 4.369 40 5 IIBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000409176168 556633011 /nfs/dbraw/zinc/63/30/11/556633011.db2.gz JIQPAFZKRGHKAP-UHFFFAOYSA-N 0 0 436.376 4.217 40 5 IIBBRN COCCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C1=O ZINC000409229136 556635116 /nfs/dbraw/zinc/63/51/16/556635116.db2.gz KFKTUUWWXQXFSG-CPNJWEJPSA-N 0 0 428.466 4.247 40 5 IIBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)o1 ZINC000409245904 556636064 /nfs/dbraw/zinc/63/60/64/556636064.db2.gz ARJONHDPDUYOCZ-XDHOZWIPSA-N 0 0 433.420 4.265 40 5 IIBBRN O=C1C[C@H](c2cccs2)Cc2nc3nc(SCc4cccc([N+](=O)[O-])c4)nn3cc21 ZINC000013634431 556704661 /nfs/dbraw/zinc/70/46/61/556704661.db2.gz DZKQUECZCRKLGM-CYBMUJFWSA-N 0 0 437.506 4.299 40 5 IIBBRN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716830 556715150 /nfs/dbraw/zinc/71/51/50/556715150.db2.gz AEMFDIAYBYPTBK-GOSISDBHSA-N 0 0 439.921 4.048 40 5 IIBBRN COC(=O)C(=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)OC ZINC000409040605 556928995 /nfs/dbraw/zinc/92/89/95/556928995.db2.gz HATOKOJPXCSZSO-UHFFFAOYSA-N 0 0 440.235 4.210 40 5 IIBBRN CCCN1C(=O)C(=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)NC1=S ZINC000409081797 556947680 /nfs/dbraw/zinc/94/76/80/556947680.db2.gz QGTQGTHVSSKECO-BOPFTXTBSA-N 0 0 431.901 4.295 40 5 IIBBRN CC(C)(C)[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)N2 ZINC000409099795 556954974 /nfs/dbraw/zinc/95/49/74/556954974.db2.gz UFOZJYYGQGXAGA-MUKKUYKPSA-N 0 0 427.423 4.049 40 5 IIBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1cccc(C(=O)OCc2ccccc2[N+](=O)[O-])c1 ZINC000409181909 556989732 /nfs/dbraw/zinc/98/97/32/556989732.db2.gz GOLIBOVPXLPOIN-UHFFFAOYSA-N 0 0 436.376 4.217 40 5 IIBBRN Cc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(C)c1-c1ccc(Cl)cc1 ZINC000409206047 557003859 /nfs/dbraw/zinc/00/38/59/557003859.db2.gz HAYCSVZWZHZAIZ-ZZEZOPTASA-N 0 0 432.845 4.273 40 5 IIBBRN O=C(CN1C(=O)SC(=Cc2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Br)cc1 ZINC000409223092 557017599 /nfs/dbraw/zinc/01/75/99/557017599.db2.gz GMRYIPQWWOKAIV-CXUHLZMHSA-N 0 0 447.266 4.277 40 5 IIBBRN CCC(C)(C)[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)N2 ZINC000409351910 557079300 /nfs/dbraw/zinc/07/93/00/557079300.db2.gz BPKLNGPDTLANID-KKVAFCGZSA-N 0 0 441.450 4.439 40 5 IIBBRN CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000409387104 557099102 /nfs/dbraw/zinc/09/91/02/557099102.db2.gz ZOKUSKVEUYIEFR-UHFFFAOYSA-N 0 0 432.889 4.414 40 5 IIBBRN Cc1ccc(NC(=O)CSc2nnc(CNc3cccc(Cl)c3)o2)cc1[N+](=O)[O-] ZINC000000786258 557175370 /nfs/dbraw/zinc/17/53/70/557175370.db2.gz YXDSUQXUMRYQNQ-UHFFFAOYSA-N 0 0 433.877 4.283 40 5 IIBBRN O=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000219152615 557228304 /nfs/dbraw/zinc/22/83/04/557228304.db2.gz OZCOTCHEVVZDIA-UHFFFAOYSA-N 0 0 443.868 4.063 40 5 IIBBRN O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000014271402 557332354 /nfs/dbraw/zinc/33/23/54/557332354.db2.gz ZXMPEIOZPIGZBO-UHFFFAOYSA-N 0 0 442.585 4.014 40 5 IIBBRN CC[C@H](NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000222368122 557336064 /nfs/dbraw/zinc/33/60/64/557336064.db2.gz CYSJLXXHVIHFDV-NRFANRHFSA-N 0 0 447.557 4.025 40 5 IIBBRN O=C(CCc1ccccc1)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000100456432 557403760 /nfs/dbraw/zinc/40/37/60/557403760.db2.gz LCQJGQPCWRITIL-UHFFFAOYSA-N 0 0 434.408 4.327 40 5 IIBBRN COc1ccc(OC)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)c1 ZINC000408569577 557417005 /nfs/dbraw/zinc/41/70/05/557417005.db2.gz JQNVNGMPXWIEJJ-HXUWFJFHSA-N 0 0 428.514 4.320 40 5 IIBBRN CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1OC ZINC000408573474 557419542 /nfs/dbraw/zinc/41/95/42/557419542.db2.gz SYULMHBRZHHKBI-FQEVSTJZSA-N 0 0 428.514 4.402 40 5 IIBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1 ZINC000408582085 557420597 /nfs/dbraw/zinc/42/05/97/557420597.db2.gz LSNNZJIZIRSTAO-UHFFFAOYSA-N 0 0 444.513 4.185 40 5 IIBBRN CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)N1CCc2ccccc21 ZINC000408604458 557421081 /nfs/dbraw/zinc/42/10/81/557421081.db2.gz JJSLBIQKUGTGFH-PKNBQFBNSA-N 0 0 449.463 4.428 40 5 IIBBRN Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c(C)cc1Br ZINC000408649304 557425353 /nfs/dbraw/zinc/42/53/53/557425353.db2.gz ZYRWYRSQTGJHMH-AWEZNQCLSA-N 0 0 446.301 4.274 40 5 IIBBRN Cc1ccc(S(=O)(=O)N2CCC(c3ccc([N+](=O)[O-])c(N4CCCC4)c3)CC2)cc1 ZINC000107261329 557535340 /nfs/dbraw/zinc/53/53/40/557535340.db2.gz JQDQWISIXIJRML-UHFFFAOYSA-N 0 0 429.542 4.072 40 5 IIBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 ZINC000044904806 557540634 /nfs/dbraw/zinc/54/06/34/557540634.db2.gz IWLMGBGWHYQUOS-UHFFFAOYSA-N 0 0 435.354 4.254 40 5 IIBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225529622 557839990 /nfs/dbraw/zinc/83/99/90/557839990.db2.gz LWAONECDPMCCJH-GHTZIAJQSA-N 0 0 425.529 4.168 40 5 IIBBRN COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CCC(C)(C)O ZINC000014727633 563014913 /nfs/dbraw/zinc/01/49/13/563014913.db2.gz TYALNCRUIKOKGP-UHFFFAOYSA-N 0 0 428.481 4.284 40 5 endogenous,in-man IIBBRN CCOC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)CC1c2ccccc2-c2ccccc21 ZINC000016682191 563021027 /nfs/dbraw/zinc/02/10/27/563021027.db2.gz CZDHNHKGWOVFMP-XMMPIXPASA-N 0 0 444.487 4.388 40 5 IIBBRN CC[C@@H](NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000222368060 568638536 /nfs/dbraw/zinc/63/85/36/568638536.db2.gz CYSJLXXHVIHFDV-OAQYLSRUSA-N 0 0 447.557 4.025 40 5 IIBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222827153 568663279 /nfs/dbraw/zinc/66/32/79/568663279.db2.gz XYAFWGVBQDKXNY-HNNXBMFYSA-N 0 0 431.920 4.123 40 5 IIBBRN COc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000016194888 568872417 /nfs/dbraw/zinc/87/24/17/568872417.db2.gz LSKBTPSVYBSNOG-XDHOZWIPSA-N 0 0 445.431 4.280 40 5 IIBBRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000223939655 568879778 /nfs/dbraw/zinc/87/97/78/568879778.db2.gz PYTOFCXNAOWWCW-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224019980 568880779 /nfs/dbraw/zinc/88/07/79/568880779.db2.gz KBJKLSKRZIFBQW-HNNXBMFYSA-N 0 0 431.920 4.123 40 5 IIBBRN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nnc2-c2ccncc2)cc1 ZINC000006280198 568881532 /nfs/dbraw/zinc/88/15/32/568881532.db2.gz ZUTXHJGGMWDYQX-UHFFFAOYSA-N 0 0 446.492 4.277 40 5 IIBBRN CCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(OC)cc1 ZINC000006878547 569094444 /nfs/dbraw/zinc/09/44/44/569094444.db2.gz YKLCHPISJRKTJR-CYBMUJFWSA-N 0 0 427.486 4.001 40 5 IIBBRN CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006878373 569094703 /nfs/dbraw/zinc/09/47/03/569094703.db2.gz ORYDHNOPYPPXMA-UHFFFAOYSA-N 0 0 446.920 4.203 40 5 IIBBRN Cc1c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cccc1[N+](=O)[O-] ZINC000017094782 569172531 /nfs/dbraw/zinc/17/25/31/569172531.db2.gz IEWHXESYPQAIFW-UHFFFAOYSA-N 0 0 426.410 4.198 40 5 IIBBRN COc1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000017101317 569173654 /nfs/dbraw/zinc/17/36/54/569173654.db2.gz AVTIWGMOSYLXDP-UHFFFAOYSA-N 0 0 437.477 4.309 40 5 IIBBRN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000017101914 569173659 /nfs/dbraw/zinc/17/36/59/569173659.db2.gz WGKFVHQQDXTEJR-UHFFFAOYSA-N 0 0 438.311 4.408 40 5 IIBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OC(C)=O ZINC000214902613 569191488 /nfs/dbraw/zinc/19/14/88/569191488.db2.gz DJHGBRDVSMTWJP-YBFXNURJSA-N 0 0 442.449 4.155 40 5 IIBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224976350 569204795 /nfs/dbraw/zinc/20/47/95/569204795.db2.gz ZYJHENFZBKRIOY-ROUUACIJSA-N 0 0 443.569 4.160 40 5 IIBBRN CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000017719850 569217833 /nfs/dbraw/zinc/21/78/33/569217833.db2.gz KQUUKWFYSLEOIV-VJBWXMMDSA-N 0 0 443.459 4.208 40 5 IIBBRN CCOC(=O)N1CCN(C(=O)Nc2ccc3sc4nc5ccccc5nc4c3c2)CC1 ZINC000033859308 569247100 /nfs/dbraw/zinc/24/71/00/569247100.db2.gz WPASZBJUWQRORL-UHFFFAOYSA-N 0 0 435.509 4.304 40 5 IIBBRN CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000009064785 569293463 /nfs/dbraw/zinc/29/34/63/569293463.db2.gz JTIROHFROIUGLE-UHFFFAOYSA-N 0 0 442.541 4.325 40 5 IIBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(OC)c(Br)c3)nc21 ZINC000010010558 569299047 /nfs/dbraw/zinc/29/90/47/569299047.db2.gz ZKOZWSULNPZZCU-UHFFFAOYSA-N 0 0 438.259 4.237 40 5 IIBBRN O=C(COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1)N1CCCC1 ZINC000225506132 569304903 /nfs/dbraw/zinc/30/49/03/569304903.db2.gz RVOFRSILFVSIEJ-UHFFFAOYSA-N 0 0 437.496 4.047 40 5 IIBBRN O=[N+]([O-])c1ccc(N2C(c3ccccc3)=N[C@@H](N3CCCCC3)[C@@H]2N2CCCCC2)cc1 ZINC000019327845 569318463 /nfs/dbraw/zinc/31/84/63/569318463.db2.gz WJRWIWYSOBDDOG-LOSJGSFVSA-N 0 0 433.556 4.486 40 5 IIBBRN O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000019640287 569324840 /nfs/dbraw/zinc/32/48/40/569324840.db2.gz IIHXRIJPDIPSQA-UHFFFAOYSA-N 0 0 444.447 4.492 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C ZINC000020061686 569332884 /nfs/dbraw/zinc/33/28/84/569332884.db2.gz DNEAOPCPAVRUBB-UHFFFAOYSA-N 0 0 431.514 4.029 40 5 IIBBRN Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000020063281 569332889 /nfs/dbraw/zinc/33/28/89/569332889.db2.gz VAXONJYZTYOREH-UHFFFAOYSA-N 0 0 437.477 4.026 40 5 IIBBRN COc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1-c1ccc(CO)o1 ZINC000020142764 569335812 /nfs/dbraw/zinc/33/58/12/569335812.db2.gz MOLYIGMRQUSFBX-UHFFFAOYSA-N 0 0 437.452 4.208 40 5 IIBBRN CCc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000095483652 569373787 /nfs/dbraw/zinc/37/37/87/569373787.db2.gz KQUUKWFYSLEOIV-VABKMULXSA-N 0 0 443.459 4.208 40 5 IIBBRN CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccc21 ZINC000225714903 569407415 /nfs/dbraw/zinc/40/74/15/569407415.db2.gz IFNMNDCSWUEQRA-UHFFFAOYSA-N 0 0 427.891 4.006 40 5 IIBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000057317313 569430736 /nfs/dbraw/zinc/43/07/36/569430736.db2.gz ULICRZVNTFSHTJ-SNAWJCMRSA-N 0 0 443.784 4.167 40 5 IIBBRN COc1ccc(N[C@H](NC(=O)c2ccc(C)cc2)C(Cl)(Cl)Cl)cc1[N+](=O)[O-] ZINC000003111976 569440381 /nfs/dbraw/zinc/44/03/81/569440381.db2.gz ZNTYQOWKKCBIFV-MRXNPFEDSA-N 0 0 432.691 4.450 40 5 IIBBRN O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000027305144 569583490 /nfs/dbraw/zinc/58/34/90/569583490.db2.gz YQCGBBJVFGNMLE-UHFFFAOYSA-N 0 0 432.914 4.427 40 5 IIBBRN COCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000020633347 523970470 /nfs/dbraw/zinc/97/04/70/523970470.db2.gz IQBYIICQMWXVQS-LJQANCHMSA-N 0 0 442.859 4.076 40 5 IIBBRN COc1ccc(Nc2nc(Nc3ccc(OC)c([N+](=O)[O-])c3)nc(C)c2[N+](=O)[O-])cc1 ZINC000016249510 524719034 /nfs/dbraw/zinc/71/90/34/524719034.db2.gz QPTGADPTVITEBD-UHFFFAOYSA-N 0 0 426.389 4.106 40 5 IIBBRN CCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000034859943 555510125 /nfs/dbraw/zinc/51/01/25/555510125.db2.gz XNWGEOWRIOIORK-UHFFFAOYSA-N 0 0 438.465 4.330 40 5 IIBBRN Cc1ccc(C(=O)N[C@@H](c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)C(C)C)cc1 ZINC000035225389 556021178 /nfs/dbraw/zinc/02/11/78/556021178.db2.gz GADMCWPARRKDSX-LJQANCHMSA-N 0 0 439.541 4.451 40 5 IIBBRN CC(C)COC(=O)c1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1 ZINC000408729904 556166509 /nfs/dbraw/zinc/16/65/09/556166509.db2.gz FADNHQVCFRLBNP-MFOYZWKCSA-N 0 0 428.828 4.406 40 5 IIBBRN Cc1ccccc1Cn1c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2n(Cc2ccccc2C)c1=O ZINC000059639046 556322463 /nfs/dbraw/zinc/32/24/63/556322463.db2.gz ATHAZOAWKVKMLC-UHFFFAOYSA-N 0 0 432.436 4.333 40 5 IIBBRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)c2)cc1 ZINC000010363098 556333408 /nfs/dbraw/zinc/33/34/08/556333408.db2.gz XKQLDKIQDYPJQU-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN CN1C(=O)c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C1=O ZINC000408758150 556619713 /nfs/dbraw/zinc/61/97/13/556619713.db2.gz WCNYWAMVWRASKR-UHFFFAOYSA-N 0 0 426.226 4.480 40 5 IIBBRN CCOc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1ccco1 ZINC000408839152 556621337 /nfs/dbraw/zinc/62/13/37/556621337.db2.gz NXEBYAHJNBCVDC-SFQUDFHCSA-N 0 0 448.387 4.150 40 5 IIBBRN COC(=O)C(=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)OC ZINC000409087145 556630255 /nfs/dbraw/zinc/63/02/55/556630255.db2.gz ATBGECXKSTWGHJ-UHFFFAOYSA-N 0 0 425.315 4.135 40 5 IIBBRN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000409178036 556633032 /nfs/dbraw/zinc/63/30/32/556633032.db2.gz GAIUUFGQHJXMOR-NFJKTXFASA-N 0 0 428.419 4.305 40 5 IIBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)cc1Cl ZINC000409176568 556633042 /nfs/dbraw/zinc/63/30/42/556633042.db2.gz RHNGXDKZNMENMO-LZYBPNLTSA-N 0 0 431.857 4.232 40 5 IIBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)Nc1cccc(F)c1 ZINC000409227814 556635493 /nfs/dbraw/zinc/63/54/93/556635493.db2.gz RISWFCWWQXKXSA-VIZOYTHASA-N 0 0 435.820 4.062 40 5 IIBBRN CCn1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc21 ZINC000409365943 556638567 /nfs/dbraw/zinc/63/85/67/556638567.db2.gz QGFVPASHBDQYDO-JAIQZWGSSA-N 0 0 435.461 4.489 40 5 IIBBRN CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2CC)cc1 ZINC000013842258 556745247 /nfs/dbraw/zinc/74/52/47/556745247.db2.gz VIWVKOMWCFIBQQ-UHFFFAOYSA-N 0 0 441.513 4.078 40 5 IIBBRN Cc1cccc(C2=N/C(=C/c3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)O2)c1 ZINC000408844113 556868355 /nfs/dbraw/zinc/86/83/55/556868355.db2.gz ONYAKNAQWNWVMD-XSFVSMFZSA-N 0 0 428.400 4.467 40 5 IIBBRN Cc1ccc(CSCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)cc1 ZINC000409360167 557086308 /nfs/dbraw/zinc/08/63/08/557086308.db2.gz MABKYPPTPAXENU-UHFFFAOYSA-N 0 0 443.554 4.196 40 5 IIBBRN Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000409374051 557090214 /nfs/dbraw/zinc/09/02/14/557090214.db2.gz WWTTWISUJKQRCE-ZKKFKWFVSA-N 0 0 444.874 4.433 40 5 IIBBRN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000220717501 557364929 /nfs/dbraw/zinc/36/49/29/557364929.db2.gz BGQDNVWUIQXHKJ-MRXNPFEDSA-N 0 0 439.921 4.048 40 5 IIBBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 ZINC000102710436 557368041 /nfs/dbraw/zinc/36/80/41/557368041.db2.gz NFJLOKYKERBPCB-NJYVYQBISA-N 0 0 449.850 4.299 40 5 IIBBRN COc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1ccccc1 ZINC000013925745 557396851 /nfs/dbraw/zinc/39/68/51/557396851.db2.gz JGFCMCKEZQJPOK-UYRXBGFRSA-N 0 0 444.399 4.167 40 5 IIBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(OC)ccc2OC)cc1 ZINC000408571807 557418891 /nfs/dbraw/zinc/41/88/91/557418891.db2.gz POWAJKLMTYKBNW-FQEVSTJZSA-N 0 0 444.513 4.102 40 5 IIBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NC1CCCCCCC1 ZINC000408629622 557424194 /nfs/dbraw/zinc/42/41/94/557424194.db2.gz FGUVWGFFBSBOTF-UHFFFAOYSA-N 0 0 445.541 4.019 40 5 IIBBRN O=C(CNC(=O)c1ccco1)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000024522295 557439472 /nfs/dbraw/zinc/43/94/72/557439472.db2.gz YRSLAKVGZIRMSW-UHFFFAOYSA-N 0 0 430.800 4.107 40 5 IIBBRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Nc1cccc(Br)c1 ZINC000015304394 568755127 /nfs/dbraw/zinc/75/51/27/568755127.db2.gz JDTSGNMVUQAZRD-UHFFFAOYSA-N 0 0 425.182 4.394 40 5 IIBBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000223070426 568778776 /nfs/dbraw/zinc/77/87/76/568778776.db2.gz UVSPJFOPRQPYQS-RTWAWAEBSA-N 0 0 438.509 4.259 40 5 IIBBRN CCOc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1NC(=O)c1ccccc1 ZINC000223258837 568787701 /nfs/dbraw/zinc/78/77/01/568787701.db2.gz WVIVHOLLUAWVMR-UHFFFAOYSA-N 0 0 441.465 4.047 40 5 IIBBRN CCCC[C@@H](CC)CNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223527697 568861858 /nfs/dbraw/zinc/86/18/58/568861858.db2.gz JCLSMZAZAWLIQM-GOSISDBHSA-N 0 0 447.557 4.123 40 5 IIBBRN CCOP(=O)(OCC)O[C@H](c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000001637904 568877134 /nfs/dbraw/zinc/87/71/34/568877134.db2.gz KAMNHDQESIZJNO-QZTJIDSGSA-N 0 0 440.345 4.475 40 5 IIBBRN O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C(F)(F)F)c1 ZINC000001671153 568877355 /nfs/dbraw/zinc/87/73/55/568877355.db2.gz QERKRZJJGJXZMI-UHFFFAOYSA-N 0 0 444.265 4.373 40 5 IIBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223815055 568877426 /nfs/dbraw/zinc/87/74/26/568877426.db2.gz LAXLETVXNFPNOK-INIZCTEOSA-N 0 0 443.931 4.267 40 5 IIBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000223962867 568880131 /nfs/dbraw/zinc/88/01/31/568880131.db2.gz LWUQVWZXZUFHRQ-UHFFFAOYSA-N 0 0 449.847 4.440 40 5 IIBBRN CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000223995925 568880316 /nfs/dbraw/zinc/88/03/16/568880316.db2.gz VWWKGVLZYKNCDD-UHFFFAOYSA-N 0 0 443.506 4.370 40 5 IIBBRN O=C(NC(=S)Nc1ccccc1N1CCCC1)c1cc([N+](=O)[O-])ccc1Br ZINC000016450418 568903068 /nfs/dbraw/zinc/90/30/68/568903068.db2.gz IYOKVVNIJPWINI-UHFFFAOYSA-N 0 0 449.330 4.084 40 5 IIBBRN Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1N(C)S(=O)(=O)c1ccccc1 ZINC000224195771 568915590 /nfs/dbraw/zinc/91/55/90/568915590.db2.gz NCKLRZWYLHVVPD-UHFFFAOYSA-N 0 0 439.493 4.289 40 5 IIBBRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000016637167 568926813 /nfs/dbraw/zinc/92/68/13/568926813.db2.gz KVAKCYCRMAAXLH-UHFFFAOYSA-N 0 0 434.905 4.422 40 5 IIBBRN O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000017096678 569172929 /nfs/dbraw/zinc/17/29/29/569172929.db2.gz WCNXPZJRGWLABI-UHFFFAOYSA-N 0 0 429.782 4.356 40 5 IIBBRN O=C(NC(=S)Nc1c(O)ccc2ccccc21)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000017100214 569173544 /nfs/dbraw/zinc/17/35/44/569173544.db2.gz YXNMLPDLYIEOAT-UHFFFAOYSA-N 0 0 436.493 4.181 40 5 IIBBRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224742875 569184542 /nfs/dbraw/zinc/18/45/42/569184542.db2.gz UHCIEKPQEWCENM-GOSISDBHSA-N 0 0 443.569 4.080 40 5 IIBBRN CCOC(=O)CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224759160 569185227 /nfs/dbraw/zinc/18/52/27/569185227.db2.gz QAQMVKNBDYYSBR-UHFFFAOYSA-N 0 0 440.477 4.020 40 5 IIBBRN CC(C)(C)CC(C)(C)NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O ZINC000224935582 569193669 /nfs/dbraw/zinc/19/36/69/569193669.db2.gz QNTYBMOTUKGKBQ-UHFFFAOYSA-N 0 0 447.985 4.125 40 5 IIBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2oc1=O ZINC000010000223 569220785 /nfs/dbraw/zinc/22/07/85/569220785.db2.gz ZDPNCJKQMDPIRX-QFIPXVFZSA-N 0 0 429.384 4.482 40 5 IIBBRN O=C(CSc1nnc(Cc2ccc(Br)cc2)o1)Nc1cccc([N+](=O)[O-])c1 ZINC000010475656 569224296 /nfs/dbraw/zinc/22/42/96/569224296.db2.gz BVBTUMDGHFPBPV-UHFFFAOYSA-N 0 0 449.286 4.062 40 5 IIBBRN COc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)cc1[N+](=O)[O-] ZINC000033655826 569245434 /nfs/dbraw/zinc/24/54/34/569245434.db2.gz XQLCHEWCAFRMBB-UHFFFAOYSA-N 0 0 448.932 4.374 40 5 IIBBRN CCOc1c(I)cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc1OC ZINC000033854158 569247076 /nfs/dbraw/zinc/24/70/76/569247076.db2.gz SRRUOHMBOFGAGL-WAYWQWQTSA-N 0 0 430.198 4.074 40 5 IIBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000058058886 569249555 /nfs/dbraw/zinc/24/95/55/569249555.db2.gz PVXTVLDLMBYKIA-UHFFFAOYSA-N 0 0 431.857 4.301 40 5 IIBBRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225196223 569272591 /nfs/dbraw/zinc/27/25/91/569272591.db2.gz GLTBWQBTTKPFCP-IBGZPJMESA-N 0 0 431.920 4.124 40 5 IIBBRN C[C@H](Sc1nnc(CNc2ccc(Cl)cc2)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000013401872 569315370 /nfs/dbraw/zinc/31/53/70/569315370.db2.gz GKBCCDSWOMANNO-LBPRGKRZSA-N 0 0 446.920 4.108 40 5 IIBBRN C[C@H](Sc1nnc(CNc2cccc(Cl)c2)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000013423962 569316060 /nfs/dbraw/zinc/31/60/60/569316060.db2.gz AYQWRUGCVXSKFF-LBPRGKRZSA-N 0 0 446.920 4.108 40 5 IIBBRN O=[N+]([O-])c1ccc(N2C(c3ccccc3)=N[C@H](N3CCCCC3)[C@@H]2N2CCCCC2)cc1 ZINC000019329954 569318427 /nfs/dbraw/zinc/31/84/27/569318427.db2.gz WJRWIWYSOBDDOG-JWQCQUIFSA-N 0 0 433.556 4.486 40 5 IIBBRN COc1ccccc1OCc1nnc(SCC(=O)c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000019927414 569331870 /nfs/dbraw/zinc/33/18/70/569331870.db2.gz VFHUDUHCFVKPGW-UHFFFAOYSA-N 0 0 435.845 4.194 40 5 IIBBRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000020142752 569336012 /nfs/dbraw/zinc/33/60/12/569336012.db2.gz TZJGJQWKXMDZKT-UHFFFAOYSA-N 0 0 437.452 4.208 40 5 IIBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(-c2nn3cnnc3s2)c1 ZINC000020528591 569371585 /nfs/dbraw/zinc/37/15/85/569371585.db2.gz SQDYNAAWHPPXBI-FNORWQNLSA-N 0 0 426.845 4.066 40 5 IIBBRN O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C(=O)N1c1cc(Oc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 ZINC000002809428 569422399 /nfs/dbraw/zinc/42/23/99/569422399.db2.gz HREGPZMTQIRBRK-USTZCAOPSA-N 0 0 449.246 4.361 40 5 IIBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 ZINC000059132866 569459433 /nfs/dbraw/zinc/45/94/33/569459433.db2.gz AHBVHXKYFWFVSF-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN Cc1ccc(CN2C(=O)S/C(=C\c3ccc(SCCO)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000032124686 569460299 /nfs/dbraw/zinc/46/02/99/569460299.db2.gz IRICWTNHXSWZOR-WQRHYEAKSA-N 0 0 430.507 4.224 40 5 IIBBRN O=C1[C@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)C1c3ccccc3C2(Cl)c2ccccc21 ZINC000059418754 569461297 /nfs/dbraw/zinc/46/12/97/569461297.db2.gz MEMZBGHAQFNLRH-CAZKKTPXSA-N 0 0 430.847 4.342 40 5 IIBBRN O=c1c2ccccc2nc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1Cc1ccccc1 ZINC000059474503 569461513 /nfs/dbraw/zinc/46/15/13/569461513.db2.gz XJYIZVAAXCJIFE-UHFFFAOYSA-N 0 0 434.433 4.412 40 5 IIBBRN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2([N+](=O)[O-])c4ccccc4C3c3ccccc32)cc1Cl ZINC000059503345 569461682 /nfs/dbraw/zinc/46/16/82/569461682.db2.gz SREIKTSNCSLKBG-LQDNNDEMSA-N 0 0 444.874 4.433 40 5 IIBBRN CC[C@@H](C)N(Cc1nc(-c2cccs2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000022257562 522102424 /nfs/dbraw/zinc/10/24/24/522102424.db2.gz JOGYSRCJPMDTLV-CQSZACIVSA-N 0 0 430.486 4.221 40 5 IIBBRN Cc1cc(OCC(=O)N(Cc2nc(-c3cccs3)no2)CC(C)C)ccc1[N+](=O)[O-] ZINC000022257555 525356085 /nfs/dbraw/zinc/35/60/85/525356085.db2.gz KNMJAUYGDVBOBW-UHFFFAOYSA-N 0 0 430.486 4.078 40 5 IIBBRN O=C1CCC[C@@]2(c3ccc([N+](=O)[O-])cc3)[C@H]1[C@@H]1C(=O)CCC[C@@]12c1ccc([N+](=O)[O-])cc1 ZINC000016954312 526983265 /nfs/dbraw/zinc/98/32/65/526983265.db2.gz VBZAFOXGSKTOGM-UEQSERJNSA-N 0 0 434.448 4.431 40 5 IIBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)nnc1-c1cccc(Cl)c1 ZINC000009823216 556309611 /nfs/dbraw/zinc/30/96/11/556309611.db2.gz DLVGEPIUVGDMKO-UHFFFAOYSA-N 0 0 447.904 4.266 40 5 IIBBRN COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000408673544 556615144 /nfs/dbraw/zinc/61/51/44/556615144.db2.gz STZUJFCORLRCIC-UHFFFAOYSA-N 0 0 448.859 4.100 40 5 IIBBRN Cc1ccccc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 ZINC000408737239 556619186 /nfs/dbraw/zinc/61/91/86/556619186.db2.gz MRJDLLIDJKZMID-QFIPXVFZSA-N 0 0 433.464 4.379 40 5 IIBBRN CC(C)COC(=O)c1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1 ZINC000408732327 556619194 /nfs/dbraw/zinc/61/91/94/556619194.db2.gz UOKMSHAZCVNPCZ-NVMNQCDNSA-N 0 0 428.828 4.406 40 5 IIBBRN Cc1ccc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)cc1 ZINC000408737039 556619211 /nfs/dbraw/zinc/61/92/11/556619211.db2.gz LDOFJDUCHGOQIQ-QFIPXVFZSA-N 0 0 433.464 4.379 40 5 IIBBRN Cn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409148874 556631683 /nfs/dbraw/zinc/63/16/83/556631683.db2.gz TTWPBKBWGDIAFY-UHFFFAOYSA-N 0 0 438.296 4.428 40 5 IIBBRN CC(=O)Oc1ccc(C(=O)COC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409177940 556632502 /nfs/dbraw/zinc/63/25/02/556632502.db2.gz HKOKREKKBUVWRS-UHFFFAOYSA-N 0 0 435.388 4.352 40 5 IIBBRN Cc1ccc(-c2csc(NC(=O)CCC(=O)OCc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000409180044 556632829 /nfs/dbraw/zinc/63/28/29/556632829.db2.gz UTLATXWDHAGRGB-UHFFFAOYSA-N 0 0 425.466 4.489 40 5 IIBBRN Cc1ccc(N2C(=O)c3ccc(C(=O)OCc4ccc([N+](=O)[O-])cc4)cc3C2=O)c(C)c1 ZINC000409179510 556633024 /nfs/dbraw/zinc/63/30/24/556633024.db2.gz RAFSDBJKGYTESR-UHFFFAOYSA-N 0 0 430.416 4.369 40 5 IIBBRN CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000409210239 556634190 /nfs/dbraw/zinc/63/41/90/556634190.db2.gz JFKOJECYNQEJBN-RQZCQDPDSA-N 0 0 430.438 4.090 40 5 IIBBRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)c(C)c1 ZINC000409374296 556638755 /nfs/dbraw/zinc/63/87/55/556638755.db2.gz LSCIMWKTXDXKCN-LICLKQGHSA-N 0 0 425.466 4.195 40 5 IIBBRN Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 ZINC000409374038 556639128 /nfs/dbraw/zinc/63/91/28/556639128.db2.gz WWTTWISUJKQRCE-NFJKTXFASA-N 0 0 444.874 4.433 40 5 IIBBRN CCCCCn1ccc2nc3ccn(-c4nc(C5CCCCC5)n[nH]4)c(=O)c3cc2c1=O ZINC000040399017 556641237 /nfs/dbraw/zinc/64/12/37/556641237.db2.gz YXMVLUGOFMXQDM-UHFFFAOYSA-N 0 0 432.528 4.057 40 5 IIBBRN O=C1C[C@@H](c2cccs2)Cc2nc3nc(SCc4cccc([N+](=O)[O-])c4)nn3cc21 ZINC000013634427 556704646 /nfs/dbraw/zinc/70/46/46/556704646.db2.gz DZKQUECZCRKLGM-ZDUSSCGKSA-N 0 0 437.506 4.299 40 5 IIBBRN O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1F)OCc1ccccc1 ZINC000409000906 556914278 /nfs/dbraw/zinc/91/42/78/556914278.db2.gz ZZBIYLDXNBIJOQ-NRFANRHFSA-N 0 0 437.427 4.210 40 5 IIBBRN O=C1NC(=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1c1ccccc1 ZINC000409020291 556924316 /nfs/dbraw/zinc/92/43/16/556924316.db2.gz NOFFCPQIBQPGOF-LDADJPATSA-N 0 0 446.375 4.393 40 5 IIBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000409150203 556974779 /nfs/dbraw/zinc/97/47/79/556974779.db2.gz AJEKOMXLYWSUDA-SXGWCWSVSA-N 0 0 431.857 4.232 40 5 IIBBRN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O)Nc1ccc(F)cc1 ZINC000409157976 556977333 /nfs/dbraw/zinc/97/73/33/556977333.db2.gz QTVDWVLJHOGWOR-NVNXTCNLSA-N 0 0 435.820 4.062 40 5 IIBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(F)cc1[N+](=O)[O-])C1(Cl)c3ccccc3C2c2ccccc21 ZINC000409177999 556986897 /nfs/dbraw/zinc/98/68/97/556986897.db2.gz IBXBRYFVXANHJB-ZRDDSIGQSA-N 0 0 448.837 4.481 40 5 IIBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000409214903 557009416 /nfs/dbraw/zinc/00/94/16/557009416.db2.gz YMDSRPXNUDJZPE-GZTJUZNOSA-N 0 0 430.438 4.234 40 5 IIBBRN COCCCN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O ZINC000409243505 557033443 /nfs/dbraw/zinc/03/34/43/557033443.db2.gz XCRVOTPYBMHACD-CPNJWEJPSA-N 0 0 428.466 4.247 40 5 IIBBRN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000220389744 557134534 /nfs/dbraw/zinc/13/45/34/557134534.db2.gz PKPROBORNMOOCH-INIZCTEOSA-N 0 0 433.530 4.128 40 5 IIBBRN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000220389812 557134616 /nfs/dbraw/zinc/13/46/16/557134616.db2.gz PKPROBORNMOOCH-MRXNPFEDSA-N 0 0 433.530 4.128 40 5 IIBBRN CCc1cc2cc(OC)ccc2nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000013503558 557338724 /nfs/dbraw/zinc/33/87/24/557338724.db2.gz WFNKQAKFWXPCRV-UHFFFAOYSA-N 0 0 427.482 4.453 40 5 IIBBRN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000220734939 557365436 /nfs/dbraw/zinc/36/54/36/557365436.db2.gz YLLAPQGXZAJEPH-SFHVURJKSA-N 0 0 439.921 4.048 40 5 IIBBRN COC(=O)c1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1 ZINC000408570396 557418064 /nfs/dbraw/zinc/41/80/64/557418064.db2.gz LIROKDWZWMKJJD-LJQANCHMSA-N 0 0 426.498 4.089 40 5 IIBBRN CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1OCC ZINC000408567545 557418554 /nfs/dbraw/zinc/41/85/54/557418554.db2.gz GUPDLZRVJKNKBR-HXUWFJFHSA-N 0 0 428.514 4.483 40 5 IIBBRN CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000014087812 557419162 /nfs/dbraw/zinc/41/91/62/557419162.db2.gz JZFHJMNKVQZLHU-UHFFFAOYSA-N 0 0 447.904 4.169 40 5 IIBBRN Cc1ccc(NC(=O)CSc2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1[N+](=O)[O-] ZINC000408580160 557419745 /nfs/dbraw/zinc/41/97/45/557419745.db2.gz ASIRWKWVYUYZAN-UHFFFAOYSA-N 0 0 428.514 4.485 40 5 IIBBRN CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)N1CCC(C)CC1 ZINC000408606805 557421366 /nfs/dbraw/zinc/42/13/66/557421366.db2.gz QFCWENSAVCEGNY-SOFGYWHQSA-N 0 0 429.473 4.098 40 5 IIBBRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408637888 557423577 /nfs/dbraw/zinc/42/35/77/557423577.db2.gz AQOBFYOBTDLIFZ-SNVBAGLBSA-N 0 0 427.766 4.259 40 5 IIBBRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000103718751 557440449 /nfs/dbraw/zinc/44/04/49/557440449.db2.gz DAZQBHVKWRYSKA-SNVBAGLBSA-N 0 0 427.766 4.259 40 5 IIBBRN Cc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccccc2)cc1 ZINC000014411569 557444615 /nfs/dbraw/zinc/44/46/15/557444615.db2.gz YRKQTHCDMWBIBQ-UHFFFAOYSA-N 0 0 439.493 4.046 40 5 IIBBRN COc1ccc(NC(=O)Cc2sc(Nc3ccc(Cl)cc3C)nc2O)c([N+](=O)[O-])c1 ZINC000005721979 557458613 /nfs/dbraw/zinc/45/86/13/557458613.db2.gz BNODKUWAGFYKQY-MRXNPFEDSA-N 0 0 448.888 4.004 40 5 IIBBRN Cc1ccc(-n2c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nnc2-c2ccncc2)cc1 ZINC000000907621 568636046 /nfs/dbraw/zinc/63/60/46/568636046.db2.gz RZPKAUKEXBWMSO-UHFFFAOYSA-N 0 0 446.492 4.277 40 5 IIBBRN CC[C@@H](NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)cc1 ZINC000222378369 568639802 /nfs/dbraw/zinc/63/98/02/568639802.db2.gz XAUCZZIJQRYHBB-HXUWFJFHSA-N 0 0 447.557 4.025 40 5 IIBBRN CC[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222517177 568649986 /nfs/dbraw/zinc/64/99/86/568649986.db2.gz KZPRHBDQUJYKQU-INIZCTEOSA-N 0 0 446.312 4.085 40 5 IIBBRN CC[C@@H](NC(=O)[C@@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000222530102 568650505 /nfs/dbraw/zinc/65/05/05/568650505.db2.gz XRTGOOUGTRVMNJ-NHCUHLMSSA-N 0 0 447.557 4.024 40 5 IIBBRN CC[C@@H](C(=O)Nc1cccc(Cl)c1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222535803 568651658 /nfs/dbraw/zinc/65/16/58/568651658.db2.gz FMYICAMHJSVMRT-KRWDZBQOSA-N 0 0 439.921 4.048 40 5 IIBBRN CC[C@@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222537372 568651709 /nfs/dbraw/zinc/65/17/09/568651709.db2.gz RBQWDXPVEFBTTH-SFHVURJKSA-N 0 0 433.530 4.012 40 5 IIBBRN COc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1cc(-c2nc3cccnc3o2)ccc1C ZINC000016347442 568877238 /nfs/dbraw/zinc/87/72/38/568877238.db2.gz GMKHGUSXQGIPRL-UHFFFAOYSA-N 0 0 434.408 4.133 40 5 IIBBRN CN(c1ccc(Cl)c(C(=O)Nc2cccc([N+](=O)[O-])c2)c1)S(=O)(=O)c1ccccc1 ZINC000224333456 568920623 /nfs/dbraw/zinc/92/06/23/568920623.db2.gz BYPPVMJZGZVUSO-UHFFFAOYSA-N 0 0 445.884 4.326 40 5 IIBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224369244 568923478 /nfs/dbraw/zinc/92/34/78/568923478.db2.gz CXXBOVZFWVBGHF-NRFANRHFSA-N 0 0 441.503 4.143 40 5 IIBBRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1[N+](=O)[O-] ZINC000224532021 568937529 /nfs/dbraw/zinc/93/75/29/568937529.db2.gz ZAYSVZYRZDGZHY-UHFFFAOYSA-N 0 0 429.429 4.095 40 5 IIBBRN COc1ccc(-c2nc3oc4cc(OC)ccc4c(=O)c3c(=O)n2-c2ccccc2)cc1 ZINC000002205272 569088583 /nfs/dbraw/zinc/08/85/83/569088583.db2.gz QTBYSASOGNAVFU-UHFFFAOYSA-N 0 0 426.428 4.176 40 5 IIBBRN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006878345 569094662 /nfs/dbraw/zinc/09/46/62/569094662.db2.gz WGLDXNACFBBKRB-UHFFFAOYSA-N 0 0 431.905 4.181 40 5 IIBBRN O=C(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000138776271 569113415 /nfs/dbraw/zinc/11/34/15/569113415.db2.gz XFSUWHMWVFYHOM-UHFFFAOYSA-N 0 0 435.823 4.102 40 5 IIBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1Cl)N1C(=O)c2ccccc2C1=O ZINC000138817971 569116141 /nfs/dbraw/zinc/11/61/41/569116141.db2.gz ZSWIONIISWSYRQ-UHFFFAOYSA-N 0 0 435.823 4.102 40 5 IIBBRN Cc1cc(Br)cc(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017098735 569173906 /nfs/dbraw/zinc/17/39/06/569173906.db2.gz QINURVPMLKSFNQ-UHFFFAOYSA-N 0 0 434.290 4.063 40 5 IIBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224644875 569177720 /nfs/dbraw/zinc/17/77/20/569177720.db2.gz SOHTZXWTAKCBGY-INIZCTEOSA-N 0 0 443.931 4.267 40 5 IIBBRN CCCCC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000009062460 569219605 /nfs/dbraw/zinc/21/96/05/569219605.db2.gz FQVYDHFVDUHJMH-UHFFFAOYSA-N 0 0 425.470 4.494 40 5 IIBBRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2C)cc1 ZINC000010371448 569224230 /nfs/dbraw/zinc/22/42/30/569224230.db2.gz LVXMFGZTIFQMCH-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000107871425 569251522 /nfs/dbraw/zinc/25/15/22/569251522.db2.gz ZANYOOJEJWJLRF-UHFFFAOYSA-N 0 0 442.947 4.130 40 5 IIBBRN CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000109023746 569253394 /nfs/dbraw/zinc/25/33/94/569253394.db2.gz RNFFYHQKNHJMGL-UHFFFAOYSA-N 0 0 431.905 4.082 40 5 IIBBRN O=C1[C@@H]2[C@H](c3ccccc3Cl)N(c3cccc([N+](=O)[O-])c3)O[C@@H]2C(=O)N1c1ccccc1 ZINC000018056377 569284517 /nfs/dbraw/zinc/28/45/17/569284517.db2.gz KFNBYDOZONUQFI-HKBOAZHASA-N 0 0 449.850 4.299 40 5 IIBBRN Cc1nn(Cc2ccc(C(=O)n3c4ccccc4nc3-c3ccccn3)o2)c(C)c1[N+](=O)[O-] ZINC000019635629 569324191 /nfs/dbraw/zinc/32/41/91/569324191.db2.gz JVFQFFLWGNIIMO-UHFFFAOYSA-N 0 0 442.435 4.150 40 5 IIBBRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])cc2s1 ZINC000019638312 569324901 /nfs/dbraw/zinc/32/49/01/569324901.db2.gz CEVHGELZKMTBCF-UHFFFAOYSA-N 0 0 443.510 4.070 40 5 IIBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225558952 569404340 /nfs/dbraw/zinc/40/43/40/569404340.db2.gz PWULNGOHMQOXFM-GHTZIAJQSA-N 0 0 425.529 4.168 40 5 IIBBRN Cc1cc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)ccc1Br ZINC000059200725 569460304 /nfs/dbraw/zinc/46/03/04/569460304.db2.gz UVKKVMPNPLHFPR-UHFFFAOYSA-N 0 0 449.286 4.447 40 5 IIBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1(Cl)c3ccccc3C2c2ccccc21 ZINC000059418759 569461261 /nfs/dbraw/zinc/46/12/61/569461261.db2.gz KHLDBANMWNUTRJ-YQORSWRPSA-N 0 0 430.847 4.342 40 5 IIBBRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)cc1Cl ZINC000059503346 569461684 /nfs/dbraw/zinc/46/16/84/569461684.db2.gz SREIKTSNCSLKBG-NFJKTXFASA-N 0 0 444.874 4.433 40 5 IIBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000038752732 569468788 /nfs/dbraw/zinc/46/87/88/569468788.db2.gz RVASVWQXCGIUFO-UHFFFAOYSA-N 0 0 431.857 4.301 40 5 IIBBRN O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000014195263 132356643 /nfs/dbraw/zinc/35/66/43/132356643.db2.gz BFSJTEDDFMYIIC-UHFFFAOYSA-N 0 0 442.825 4.028 40 5 IIBBRN CCOc1c(I)cc(CNc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000408608032 555972537 /nfs/dbraw/zinc/97/25/37/555972537.db2.gz MBIAWBTYZNSWBZ-UHFFFAOYSA-N 0 0 428.226 4.219 40 5 IIBBRN CS(=O)(=O)N(CCCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1 ZINC000408677211 556071111 /nfs/dbraw/zinc/07/11/11/556071111.db2.gz BANBFBMNLYKKTB-UHFFFAOYSA-N 0 0 446.312 4.087 40 5 IIBBRN COc1ccccc1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 ZINC000408739317 556619374 /nfs/dbraw/zinc/61/93/74/556619374.db2.gz ZLGNSNBUIDVMLT-OAQYLSRUSA-N 0 0 449.463 4.080 40 5 IIBBRN O=C1c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C(=O)N1CCCO ZINC000408756696 556619949 /nfs/dbraw/zinc/61/99/49/556619949.db2.gz JASATKUTDXYRLH-UHFFFAOYSA-N 0 0 425.828 4.123 40 5 IIBBRN CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408780630 556620405 /nfs/dbraw/zinc/62/04/05/556620405.db2.gz GRINXACQOXKYLC-UHFFFAOYSA-N 0 0 433.530 4.150 40 5 IIBBRN C[C@@H]1CCCC[C@H]1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 ZINC000408996736 556626834 /nfs/dbraw/zinc/62/68/34/556626834.db2.gz AIDBMSZNZCQAIY-YHYVQYDKSA-N 0 0 439.512 4.127 40 5 IIBBRN O=C(NCCSCc1c(Cl)cccc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000409029020 556627735 /nfs/dbraw/zinc/62/77/35/556627735.db2.gz XIAVDRYNDKVNLN-UHFFFAOYSA-N 0 0 430.269 4.473 40 5 IIBBRN Cc1cccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccccc2)c1 ZINC000409322985 556637419 /nfs/dbraw/zinc/63/74/19/556637419.db2.gz MFQQIYLFZUNAQR-UHFFFAOYSA-N 0 0 439.493 4.046 40 5 IIBBRN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013715004 556714816 /nfs/dbraw/zinc/71/48/16/556714816.db2.gz GEFDATSNVYACSP-MRXNPFEDSA-N 0 0 446.312 4.085 40 5 IIBBRN Cc1ccc(C)c(NC(=O)CSc2nnc(CNc3ccc(C)c([N+](=O)[O-])c3)o2)c1 ZINC000000873647 556728272 /nfs/dbraw/zinc/72/82/72/556728272.db2.gz XQWYAEULQNDLDB-UHFFFAOYSA-N 0 0 427.486 4.246 40 5 IIBBRN O=C1N/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1F ZINC000409099005 556954369 /nfs/dbraw/zinc/95/43/69/556954369.db2.gz RFSRORFSJJXZNR-FYJGNVAPSA-N 0 0 447.422 4.406 40 5 IIBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1 ZINC000409175258 556985541 /nfs/dbraw/zinc/98/55/41/556985541.db2.gz YSEDHYVQUOPZPH-UHFFFAOYSA-N 0 0 433.416 4.471 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 ZINC000409271826 557043103 /nfs/dbraw/zinc/04/31/03/557043103.db2.gz NQCGICFXHJOPHS-UHFFFAOYSA-N 0 0 439.493 4.046 40 5 IIBBRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)c(C)c1 ZINC000101237121 557263652 /nfs/dbraw/zinc/26/36/52/557263652.db2.gz IVBAGKFXHHRVFK-ZRBLBEILSA-N 0 0 443.459 4.263 40 5 IIBBRN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000220717182 557364723 /nfs/dbraw/zinc/36/47/23/557364723.db2.gz RANZLLSCAHXXKD-QGZVFWFLSA-N 0 0 439.921 4.048 40 5 IIBBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1 ZINC000102763618 557384792 /nfs/dbraw/zinc/38/47/92/557384792.db2.gz QZSZKPFFTURYGA-NJYVYQBISA-N 0 0 449.850 4.299 40 5 IIBBRN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)ccc1[N+](=O)[O-] ZINC000408562592 557418104 /nfs/dbraw/zinc/41/81/04/557418104.db2.gz CTIOLEKAWKLSHY-UHFFFAOYSA-N 0 0 429.429 4.095 40 5 IIBBRN Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Cl)cc1Cl ZINC000014069858 557420160 /nfs/dbraw/zinc/42/01/60/557420160.db2.gz JCUBFGHPFOCPMZ-UHFFFAOYSA-N 0 0 438.296 4.428 40 5 IIBBRN COc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])n2)cc1 ZINC000014152973 557423866 /nfs/dbraw/zinc/42/38/66/557423866.db2.gz FENPRAJZCZRAOQ-UHFFFAOYSA-N 0 0 440.481 4.108 40 5 IIBBRN Cc1ccc(NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000408643339 557424739 /nfs/dbraw/zinc/42/47/39/557424739.db2.gz AJKXSNPVIAZYEP-NSHDSACASA-N 0 0 427.240 4.159 40 5 IIBBRN Cc1c(C(=O)NC(=S)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000014271243 557430572 /nfs/dbraw/zinc/43/05/72/557430572.db2.gz GMKLROXYRQRFLZ-UHFFFAOYSA-N 0 0 448.504 4.211 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000028786882 557724160 /nfs/dbraw/zinc/72/41/60/557724160.db2.gz XGCSQWMBKNZOKR-UHFFFAOYSA-N 0 0 446.488 4.333 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccccc1C(C)C)S(C)(=O)=O ZINC000222375467 568639413 /nfs/dbraw/zinc/63/94/13/568639413.db2.gz IZNDJMMLDQYMDI-UHFFFAOYSA-N 0 0 433.530 4.212 40 5 IIBBRN Cc1cc(C)c(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(C)c1 ZINC000222375309 568639538 /nfs/dbraw/zinc/63/95/38/568639538.db2.gz LROVLFWZNZPZPD-UHFFFAOYSA-N 0 0 433.530 4.013 40 5 IIBBRN CCCCc1ccc(NC(=O)[C@@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000222524275 568650284 /nfs/dbraw/zinc/65/02/84/568650284.db2.gz FWTFSOKQRUYHPJ-HXUWFJFHSA-N 0 0 433.530 4.121 40 5 IIBBRN CC[C@@H](C(=O)N[C@@H](CC(C)C)c1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222529663 568650544 /nfs/dbraw/zinc/65/05/44/568650544.db2.gz KYRUKGDYAIDKRX-SFTDATJTSA-N 0 0 447.557 4.043 40 5 IIBBRN CC[C@H](C(=O)Nc1cccc(Cl)c1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222535866 568651746 /nfs/dbraw/zinc/65/17/46/568651746.db2.gz FMYICAMHJSVMRT-QGZVFWFLSA-N 0 0 439.921 4.048 40 5 IIBBRN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2)cc1 ZINC000222546514 568652330 /nfs/dbraw/zinc/65/23/30/568652330.db2.gz PIKDHTPRWKYEQH-UHFFFAOYSA-N 0 0 439.493 4.289 40 5 IIBBRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2)cc1 ZINC000015410357 568761938 /nfs/dbraw/zinc/76/19/38/568761938.db2.gz BUXHXDHJNYFADZ-UHFFFAOYSA-N 0 0 439.493 4.289 40 5 IIBBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000223079067 568778797 /nfs/dbraw/zinc/77/87/97/568778797.db2.gz YYJHMHJOQHUCDQ-NHCUHLMSSA-N 0 0 438.509 4.259 40 5 IIBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223227894 568785651 /nfs/dbraw/zinc/78/56/51/568785651.db2.gz KAFJUPKPPAXVMF-HXUWFJFHSA-N 0 0 425.529 4.168 40 5 IIBBRN COc1ccc2nccc(/C=C3\[C@H](OC(=O)c4ccc([N+](=O)[O-])cc4)C4CCN3CC4)c2c1 ZINC000001719820 568880066 /nfs/dbraw/zinc/88/00/66/568880066.db2.gz HLNANWMLDWVFBH-AKKXDVJXSA-N 0 0 445.475 4.444 40 5 IIBBRN O=C(Nc1ccc(-c2nn3cnnc3s2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000016429737 568900472 /nfs/dbraw/zinc/90/04/72/568900472.db2.gz GAHQZYOVCXPUQW-UHFFFAOYSA-N 0 0 449.496 4.004 40 5 IIBBRN CCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1OC ZINC000006878548 569094500 /nfs/dbraw/zinc/09/45/00/569094500.db2.gz NPPYHLHUJMVMPG-CYBMUJFWSA-N 0 0 427.486 4.001 40 5 IIBBRN COc1ccc(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2OC)c([N+](=O)[O-])c1 ZINC000017096749 569172410 /nfs/dbraw/zinc/17/24/10/569172410.db2.gz VVRYFSHSJQWSJA-UHFFFAOYSA-N 0 0 430.269 4.046 40 5 IIBBRN COc1c(C)cccc1C(=O)NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000017095855 569172628 /nfs/dbraw/zinc/17/26/28/569172628.db2.gz WPPCRLZWSZZCPC-UHFFFAOYSA-N 0 0 428.495 4.162 40 5 IIBBRN COc1cc2sc(NC(=S)NC(=O)c3ccc(C)c([N+](=O)[O-])c3)nc2cc1Cl ZINC000017100848 569173732 /nfs/dbraw/zinc/17/37/32/569173732.db2.gz PMXSULSGGLSLCG-UHFFFAOYSA-N 0 0 436.902 4.302 40 5 IIBBRN Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2)cc1 ZINC000009062384 569219645 /nfs/dbraw/zinc/21/96/45/569219645.db2.gz HIBZCUJPIWXAAL-UHFFFAOYSA-N 0 0 443.419 4.458 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccccc2Cl)o1 ZINC000012675290 569225070 /nfs/dbraw/zinc/22/50/70/569225070.db2.gz HRRIUSCTZKBJFE-UHFFFAOYSA-N 0 0 434.861 4.249 40 5 IIBBRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2C)cc1 ZINC000033751497 569246586 /nfs/dbraw/zinc/24/65/86/569246586.db2.gz UNLKIHCOBCAVSH-AWEZNQCLSA-N 0 0 426.498 4.401 40 5 IIBBRN Cn1c(COc2ccc3ccccc3c2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000009058405 569293287 /nfs/dbraw/zinc/29/32/87/569293287.db2.gz TYGHCUNHXOULGA-UHFFFAOYSA-N 0 0 449.492 4.186 40 5 IIBBRN Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)NC(C)C)c1 ZINC000225497719 569304502 /nfs/dbraw/zinc/30/45/02/569304502.db2.gz WQGVITLTFCLEDV-GOSISDBHSA-N 0 0 443.569 4.078 40 5 IIBBRN CCOc1ccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc1[N+](=O)[O-] ZINC000020411766 569363830 /nfs/dbraw/zinc/36/38/30/569363830.db2.gz OAVGMHWSSQQSHU-UHFFFAOYSA-N 0 0 429.454 4.421 40 5 IIBBRN O=C([O-])C1CC[NH+](Cc2c(-c3ccc([N+](=O)[O-])cc3)nc3sc4ccccc4n23)CC1 ZINC000002528881 569407780 /nfs/dbraw/zinc/40/77/80/569407780.db2.gz WACZTKPQDDBJIL-UHFFFAOYSA-N 0 0 436.493 4.421 40 5 IIBBRN NC(=O)c1c(NC(=O)c2ccc(COc3ccccc3[N+](=O)[O-])o2)sc2c1CCCC2 ZINC000002744738 569419868 /nfs/dbraw/zinc/41/98/68/569419868.db2.gz JLTMHBRAMBTFEE-UHFFFAOYSA-N 0 0 441.465 4.058 40 5 IIBBRN Cc1cc(Oc2cc([N+](=O)[O-])cc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](O5)[C@H]4C3=O)c2)ccc1Cl ZINC000002809557 569422360 /nfs/dbraw/zinc/42/23/60/569422360.db2.gz HCVVJGLGZKTONX-QGFMHUBQSA-N 0 0 428.828 4.016 40 5 IIBBRN CN(c1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccccc1 ZINC000218346607 569457051 /nfs/dbraw/zinc/45/70/51/569457051.db2.gz ULNLCNRFQLLVDL-UHFFFAOYSA-N 0 0 445.884 4.326 40 5 IIBBRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC ZINC000032115489 569460280 /nfs/dbraw/zinc/46/02/80/569460280.db2.gz HXXTYEVZMDYNHV-UHFFFAOYSA-N 0 0 444.513 4.167 40 5 IIBBRN O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1 ZINC000013633040 132352175 /nfs/dbraw/zinc/35/21/75/132352175.db2.gz FCSGCDPNWGIKJM-UHFFFAOYSA-N 0 0 435.311 4.438 40 5 IIBBRN CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000039768559 556437315 /nfs/dbraw/zinc/43/73/15/556437315.db2.gz NZFWBSTZNCNVNW-UHFFFAOYSA-N 0 0 425.470 4.350 40 5 IIBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1Cl)N1C(=O)c2ccccc2C1=O ZINC000408685058 556616865 /nfs/dbraw/zinc/61/68/65/556616865.db2.gz OLUHUZSDDKAUMR-UHFFFAOYSA-N 0 0 435.823 4.102 40 5 IIBBRN Cc1ccccc1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 ZINC000408737238 556618829 /nfs/dbraw/zinc/61/88/29/556618829.db2.gz MRJDLLIDJKZMID-JOCHJYFZSA-N 0 0 433.464 4.379 40 5 IIBBRN COc1ccc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)cc1 ZINC000408738210 556618846 /nfs/dbraw/zinc/61/88/46/556618846.db2.gz QOAXAKFBFNWQFV-JOCHJYFZSA-N 0 0 449.463 4.080 40 5 IIBBRN O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCCC1)OCc1ccccc1 ZINC000408738678 556618984 /nfs/dbraw/zinc/61/89/84/556618984.db2.gz USPFWHFVYBRVJB-QFIPXVFZSA-N 0 0 439.512 4.271 40 5 IIBBRN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[C@@H]1CCCN1C(=O)Oc1ccccc1 ZINC000408738334 556619153 /nfs/dbraw/zinc/61/91/53/556619153.db2.gz RNMGEQHXIQUBAF-SFHVURJKSA-N 0 0 438.465 4.320 40 5 IIBBRN O=C(CN1C(=O)SC(=Cc2cccn2-c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1 ZINC000409219231 556634960 /nfs/dbraw/zinc/63/49/60/556634960.db2.gz ONAWOEGADTUXOG-MOSHPQCFSA-N 0 0 433.445 4.305 40 5 IIBBRN COc1ccc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc1[N+](=O)[O-] ZINC000205664315 556832081 /nfs/dbraw/zinc/83/20/81/556832081.db2.gz VXSRKOIFKBPIMK-YAXRCOADSA-N 0 0 448.840 4.222 40 5 IIBBRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1[N+](=O)[O-] ZINC000408906961 556884657 /nfs/dbraw/zinc/88/46/57/556884657.db2.gz LBYYESYMFZWDHL-UHFFFAOYSA-N 0 0 429.429 4.095 40 5 IIBBRN O=C(Cn1nc(COc2ccc3c(c2)CCCC3)oc1=S)Nc1ccccc1[N+](=O)[O-] ZINC000409154792 556979134 /nfs/dbraw/zinc/97/91/34/556979134.db2.gz PWJOHCJFMDMYEN-UHFFFAOYSA-N 0 0 440.481 4.210 40 5 IIBBRN O=C(OCc1ccc(Cl)cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409176297 556985940 /nfs/dbraw/zinc/98/59/40/556985940.db2.gz JVOWQMCLSNRSLQ-UHFFFAOYSA-N 0 0 431.853 4.438 40 5 IIBBRN Cc1c(NC(=O)[C@@H](C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220252992 557027679 /nfs/dbraw/zinc/02/76/79/557027679.db2.gz NEGDJPUHEWHSPM-LLVKDONJSA-N 0 0 446.312 4.003 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000220252715 557027751 /nfs/dbraw/zinc/02/77/51/557027751.db2.gz QPIFAZNSOSZWJC-NSHDSACASA-N 0 0 446.312 4.003 40 5 IIBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(OC)cc1 ZINC000014083096 557299131 /nfs/dbraw/zinc/29/91/31/557299131.db2.gz YEUMPZMMVBUSTO-UHFFFAOYSA-N 0 0 447.904 4.266 40 5 IIBBRN CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000220686738 557363861 /nfs/dbraw/zinc/36/38/61/557363861.db2.gz RCAPFASOSHBVPY-HNNXBMFYSA-N 0 0 446.312 4.085 40 5 IIBBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000102710431 557367883 /nfs/dbraw/zinc/36/78/83/557367883.db2.gz NFJLOKYKERBPCB-HBMCJLEFSA-N 0 0 449.850 4.299 40 5 IIBBRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102730964 557371253 /nfs/dbraw/zinc/37/12/53/557371253.db2.gz IPOJZKGPOKENFE-ACRUOGEOSA-N 0 0 449.850 4.299 40 5 IIBBRN CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1OC ZINC000408573475 557419065 /nfs/dbraw/zinc/41/90/65/557419065.db2.gz SYULMHBRZHHKBI-HXUWFJFHSA-N 0 0 428.514 4.402 40 5 IIBBRN COc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OC ZINC000408576664 557419124 /nfs/dbraw/zinc/41/91/24/557419124.db2.gz XZZZIZTWYBFKPX-HXUWFJFHSA-N 0 0 428.514 4.320 40 5 IIBBRN COC(=O)c1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1 ZINC000408577378 557419636 /nfs/dbraw/zinc/41/96/36/557419636.db2.gz ZDCZIMHQMLEIHP-KRWDZBQOSA-N 0 0 432.889 4.126 40 5 IIBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000408578422 557419764 /nfs/dbraw/zinc/41/97/64/557419764.db2.gz UFSHDPIBZSXKBY-UHFFFAOYSA-N 0 0 449.847 4.440 40 5 IIBBRN CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1OC ZINC000408577400 557419948 /nfs/dbraw/zinc/41/99/48/557419948.db2.gz ZGYRCUDORNIDAX-IBGZPJMESA-N 0 0 432.477 4.232 40 5 IIBBRN COc1ccc(-c2cc(C)nc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)n2)cc1 ZINC000408581004 557420199 /nfs/dbraw/zinc/42/01/99/557420199.db2.gz FWOOSVLZCSQPLN-UHFFFAOYSA-N 0 0 440.481 4.108 40 5 IIBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2C(C)=O)nnc1-c1cc(OC)cc(OC)c1 ZINC000408583399 557420587 /nfs/dbraw/zinc/42/05/87/557420587.db2.gz UHEBTXINMFHHIZ-UHFFFAOYSA-N 0 0 428.470 4.244 40 5 IIBBRN O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1 ZINC000106710192 557531576 /nfs/dbraw/zinc/53/15/76/557531576.db2.gz UANURJXMBRDFCJ-UYRXBGFRSA-N 0 0 448.460 4.061 40 5 IIBBRN O=C1S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1Cc1c(F)cccc1Cl ZINC000106735192 557531960 /nfs/dbraw/zinc/53/19/60/557531960.db2.gz RNOGBSDQNPZRBL-BNCCVWRVSA-N 0 0 436.804 4.353 40 5 IIBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224668936 557638701 /nfs/dbraw/zinc/63/87/01/557638701.db2.gz JJHGKZXFUBWXJP-HXUWFJFHSA-N 0 0 445.947 4.370 40 5 IIBBRN O=C(CCSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000045209006 568625558 /nfs/dbraw/zinc/62/55/58/568625558.db2.gz OZYYCZZFXRSKKM-UHFFFAOYSA-N 0 0 446.492 4.358 40 5 IIBBRN Cc1ccc(Cl)cc1NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222374353 568640438 /nfs/dbraw/zinc/64/04/38/568640438.db2.gz PJCWIOKMFMVHFZ-UHFFFAOYSA-N 0 0 439.921 4.050 40 5 IIBBRN CC[C@@H](NC(=O)[C@@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1C ZINC000222530252 568650543 /nfs/dbraw/zinc/65/05/43/568650543.db2.gz FZVHMMRPSKEHIK-NHCUHLMSSA-N 0 0 447.557 4.024 40 5 IIBBRN Cc1cc(C)cc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1 ZINC000222572110 568653468 /nfs/dbraw/zinc/65/34/68/568653468.db2.gz QPMPKCYDHATTJI-UHFFFAOYSA-N 0 0 439.921 4.050 40 5 IIBBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000223070373 568778717 /nfs/dbraw/zinc/77/87/17/568778717.db2.gz UVSPJFOPRQPYQS-SFTDATJTSA-N 0 0 438.509 4.259 40 5 IIBBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000223079143 568778819 /nfs/dbraw/zinc/77/88/19/568778819.db2.gz GGYFYSVOGXHNOT-SFTDATJTSA-N 0 0 438.509 4.259 40 5 IIBBRN Cc1ccccc1N1O[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]1c1ccc(F)cc1 ZINC000006162641 568848710 /nfs/dbraw/zinc/84/87/10/568848710.db2.gz IOVYATFMQVVEGT-YPAWHYETSA-N 0 0 447.422 4.093 40 5 IIBBRN CCCC[C@H](CC)CNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223527752 568861713 /nfs/dbraw/zinc/86/17/13/568861713.db2.gz JCLSMZAZAWLIQM-SFHVURJKSA-N 0 0 447.557 4.123 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(F)cc2)c1 ZINC000224172905 568908445 /nfs/dbraw/zinc/90/84/45/568908445.db2.gz BFYVSEFYCFAIPK-UHFFFAOYSA-N 0 0 443.456 4.120 40 5 IIBBRN Cc1c(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)cccc1[N+](=O)[O-] ZINC000224173069 568908545 /nfs/dbraw/zinc/90/85/45/568908545.db2.gz DLMVKNILEBUMTF-UHFFFAOYSA-N 0 0 443.456 4.120 40 5 IIBBRN CC[C@@H](C)c1ccc(OCC(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 ZINC000016610517 568925631 /nfs/dbraw/zinc/92/56/31/568925631.db2.gz SDTABXCMXQPYSH-MRXNPFEDSA-N 0 0 431.920 4.489 40 5 IIBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000224529082 568937227 /nfs/dbraw/zinc/93/72/27/568937227.db2.gz MBAFSRXELZDQKT-VGOFMYFVSA-N 0 0 441.440 4.187 40 5 IIBBRN COc1ccc(-n2c(SCC(=O)c3ccc([N+](=O)[O-])cc3)nnc2-c2ccccn2)cc1 ZINC000016789531 569162018 /nfs/dbraw/zinc/16/20/18/569162018.db2.gz GTWWCADNCSUMNV-UHFFFAOYSA-N 0 0 447.476 4.221 40 5 IIBBRN COc1c(Br)cc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000017096732 569172368 /nfs/dbraw/zinc/17/23/68/569172368.db2.gz ZYFAGSGBPAGCKP-UHFFFAOYSA-N 0 0 430.052 4.381 40 5 IIBBRN CC(C)COc1ccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000017096973 569172824 /nfs/dbraw/zinc/17/28/24/569172824.db2.gz KJGDFIONEINNGM-UHFFFAOYSA-N 0 0 430.511 4.366 40 5 IIBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1cccc(Br)c1 ZINC000017096157 569172920 /nfs/dbraw/zinc/17/29/20/569172920.db2.gz BXJMRHQERDWRSW-UHFFFAOYSA-N 0 0 428.695 4.446 40 5 IIBBRN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000017101910 569173425 /nfs/dbraw/zinc/17/34/25/569173425.db2.gz TUWSGVUSPQGABZ-UHFFFAOYSA-N 0 0 438.311 4.408 40 5 IIBBRN Cc1cc2sc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)nc2cc1Cl ZINC000017098214 569173436 /nfs/dbraw/zinc/17/34/36/569173436.db2.gz QKNOGOXRUHYETH-UHFFFAOYSA-N 0 0 432.889 4.255 40 5 IIBBRN COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000017101327 569173447 /nfs/dbraw/zinc/17/34/47/569173447.db2.gz GEZRQISJVNTLQJ-UHFFFAOYSA-N 0 0 437.477 4.309 40 5 IIBBRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224669227 569179099 /nfs/dbraw/zinc/17/90/99/569179099.db2.gz QMXJOYWTVTWJMK-GOSISDBHSA-N 0 0 443.569 4.080 40 5 IIBBRN O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000027231987 569186823 /nfs/dbraw/zinc/18/68/23/569186823.db2.gz IDPLSAJSKLQLDM-UHFFFAOYSA-N 0 0 438.893 4.067 40 5 IIBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000020241968 569241402 /nfs/dbraw/zinc/24/14/02/569241402.db2.gz UXWIRVRAZOIMIK-UHFFFAOYSA-N 0 0 427.526 4.483 40 5 IIBBRN C[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C ZINC000035251282 569248522 /nfs/dbraw/zinc/24/85/22/569248522.db2.gz BUATVIIXRXSMKS-LBPRGKRZSA-N 0 0 431.905 4.160 40 5 IIBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225174879 569271385 /nfs/dbraw/zinc/27/13/85/569271385.db2.gz MBQYIHPTBWVZGX-JKSUJKDBSA-N 0 0 431.920 4.123 40 5 IIBBRN COc1cc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])o4)ccc3o2)cc(OC)c1OC ZINC000010120223 569299260 /nfs/dbraw/zinc/29/92/60/569299260.db2.gz YNYLRSVVLHWSKJ-UHFFFAOYSA-N 0 0 439.380 4.274 40 5 IIBBRN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000010421747 569300011 /nfs/dbraw/zinc/30/00/11/569300011.db2.gz IPJVVNLFXBXDIQ-UHFFFAOYSA-N 0 0 444.447 4.492 40 5 IIBBRN CCC(=O)Nc1nc2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2s1 ZINC000021595222 569391921 /nfs/dbraw/zinc/39/19/21/569391921.db2.gz SPDPPVHMTKVMIB-UHFFFAOYSA-N 0 0 439.497 4.406 40 5 IIBBRN Cc1c(C(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cccc1[N+](=O)[O-] ZINC000057317301 569430750 /nfs/dbraw/zinc/43/07/50/569430750.db2.gz XPBAIXUSTZCJHB-UHFFFAOYSA-N 0 0 431.773 4.075 40 5 IIBBRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 ZINC000057317097 569430828 /nfs/dbraw/zinc/43/08/28/569430828.db2.gz BKHFGKNPONVHPB-UHFFFAOYSA-N 0 0 444.919 4.195 40 5 IIBBRN Cc1c(N[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C ZINC000003024224 569435885 /nfs/dbraw/zinc/43/58/85/569435885.db2.gz FEZACCWHDGLZMT-HSZRJFAPSA-N 0 0 442.475 4.429 40 5 IIBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)cc1 ZINC000059132864 569459426 /nfs/dbraw/zinc/45/94/26/569459426.db2.gz IAXFFKAICYDWKY-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN CC(C)(C)c1ccc(OCCNC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000059417126 569461295 /nfs/dbraw/zinc/46/12/95/569461295.db2.gz ZUUUKXAKDAOAHS-UHFFFAOYSA-N 0 0 440.418 4.485 40 5 IIBBRN Cc1cc2sc(NC(=S)NC(=O)COc3ccc([N+](=O)[O-])cc3)nc2cc1Cl ZINC000016284251 569584029 /nfs/dbraw/zinc/58/40/29/569584029.db2.gz SWKJENKEVUSGRU-UHFFFAOYSA-N 0 0 436.902 4.058 40 5 IIBBRN CC[C@@H](C)N(Cc1nc(-c2ccc(C)cc2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000022257309 522102588 /nfs/dbraw/zinc/10/25/88/522102588.db2.gz HQCZBZGTHWFQNW-QGZVFWFLSA-N 0 0 438.484 4.468 40 5 IIBBRN Cc1cc(OCC(=O)N(Cc2nc(-c3ccccc3)no2)C2CCCC2)ccc1[N+](=O)[O-] ZINC000022257205 525356210 /nfs/dbraw/zinc/35/62/10/525356210.db2.gz OSEWKSRJPPOFEU-UHFFFAOYSA-N 0 0 436.468 4.303 40 5 IIBBRN Cc1c(Br)c(C(F)(F)F)nn1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000012372256 525524271 /nfs/dbraw/zinc/52/42/71/525524271.db2.gz PLAQINUCIQBCGA-UHFFFAOYSA-N 0 0 441.591 4.173 40 5 IIBBRN O=C1C[C@@H](c2ccc(F)cc2)Cc2nc3nc(SCc4ccc([N+](=O)[O-])cc4)nn3cc21 ZINC000020671409 527023432 /nfs/dbraw/zinc/02/34/32/527023432.db2.gz ZVPHMUFAHRQFHW-HNNXBMFYSA-N 0 0 449.467 4.377 40 5 IIBBRN O=C1OC(c2ccccc2[N+](=O)[O-])=N/C1=C\c1cc(Br)c(Br)o1 ZINC000016449458 527092578 /nfs/dbraw/zinc/09/25/78/527092578.db2.gz FGQVLRBVDLEBBY-POHAHGRESA-N 0 0 442.019 4.057 40 5 IIBBRN O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 ZINC000020611829 527605130 /nfs/dbraw/zinc/60/51/30/527605130.db2.gz IQCXPVFOAYYTRJ-JXMROGBWSA-N 0 0 437.427 4.482 40 5 IIBBRN O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1CNc1cccc([N+](=O)[O-])c1 ZINC000408719723 556617678 /nfs/dbraw/zinc/61/76/78/556617678.db2.gz PNSYLLOZBUAIDJ-OVCLIPMQSA-N 0 0 434.271 4.463 40 5 IIBBRN COc1ccc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)cc1 ZINC000408738216 556618696 /nfs/dbraw/zinc/61/86/96/556618696.db2.gz QOAXAKFBFNWQFV-QFIPXVFZSA-N 0 0 449.463 4.080 40 5 IIBBRN COc1ccccc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 ZINC000408739314 556619238 /nfs/dbraw/zinc/61/92/38/556619238.db2.gz ZLGNSNBUIDVMLT-NRFANRHFSA-N 0 0 449.463 4.080 40 5 IIBBRN CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccccc1Cl ZINC000409151620 556632263 /nfs/dbraw/zinc/63/22/63/556632263.db2.gz CPAIXRSNJKVPFT-UHFFFAOYSA-N 0 0 447.904 4.266 40 5 IIBBRN Cc1c(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc2n1C ZINC000409355994 556638119 /nfs/dbraw/zinc/63/81/19/556638119.db2.gz DNEVKBVPKQDXAR-JAIQZWGSSA-N 0 0 435.461 4.314 40 5 IIBBRN O=c1c2cc3c(ccn(CCc4ccccc4)c3=O)nc2ccn1CCc1cccs1 ZINC000040398849 556640889 /nfs/dbraw/zinc/64/08/89/556640889.db2.gz LVECQTGHKSALQX-UHFFFAOYSA-N 0 0 427.529 4.258 40 5 IIBBRN CN(C)c1ccc(NC(=S)Nc2ccc3nc4cc5c(cc4nc3c2)OCCO5)cc1 ZINC000408993430 556912714 /nfs/dbraw/zinc/91/27/14/556912714.db2.gz CUJNZIRTRXVOGD-UHFFFAOYSA-N 0 0 431.521 4.429 40 5 IIBBRN CCCCSC(C[C@H](O)[C@H](O)COC(=O)c1ccc([N+](=O)[O-])cc1)SCCCC ZINC000004743043 557063549 /nfs/dbraw/zinc/06/35/49/557063549.db2.gz SQHJTFPCDMQCNV-ZWKOTPCHSA-N 0 0 445.603 4.256 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000220382775 557133905 /nfs/dbraw/zinc/13/39/05/557133905.db2.gz NUAIOXGLSSBYNS-LLVKDONJSA-N 0 0 446.312 4.003 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000220390805 557135274 /nfs/dbraw/zinc/13/52/74/557135274.db2.gz BQAUFYSBNKPPCX-LLVKDONJSA-N 0 0 446.312 4.003 40 5 IIBBRN Cc1cccc(C)c1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000022278856 557194748 /nfs/dbraw/zinc/19/47/48/557194748.db2.gz XVTIYOIDGKSCQP-UHFFFAOYSA-N 0 0 439.493 4.046 40 5 IIBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OC ZINC000408554748 557416545 /nfs/dbraw/zinc/41/65/45/557416545.db2.gz FIMPEOQKUSLTDE-UHFFFAOYSA-N 0 0 428.226 4.219 40 5 IIBBRN COc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccccc1 ZINC000408566294 557418074 /nfs/dbraw/zinc/41/80/74/557418074.db2.gz FGMJOBWATMXSDW-KRWDZBQOSA-N 0 0 449.330 4.457 40 5 IIBBRN CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc1OC ZINC000408574480 557420009 /nfs/dbraw/zinc/42/00/09/557420009.db2.gz UXYDENHBMRNHSR-FQEVSTJZSA-N 0 0 444.513 4.102 40 5 IIBBRN Cn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1Cl ZINC000014069852 557420174 /nfs/dbraw/zinc/42/01/74/557420174.db2.gz ASSPVPSYLHEAPW-UHFFFAOYSA-N 0 0 438.296 4.428 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(C)c1 ZINC000408608321 557421690 /nfs/dbraw/zinc/42/16/90/557421690.db2.gz PBYLAUGHSFCKDM-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN COc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc1Cl ZINC000014270384 557429581 /nfs/dbraw/zinc/42/95/81/557429581.db2.gz QSFSYDCRJCDSKF-UHFFFAOYSA-N 0 0 444.694 4.146 40 5 IIBBRN O=C(Oc1ccc(C=C2SC(=S)NC2=O)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000033909253 557810225 /nfs/dbraw/zinc/81/02/25/557810225.db2.gz HOZAUJCRLNXCHL-LHHJGKSTSA-N 0 0 431.407 4.051 40 5 IIBBRN CCCCc1ccc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000222376058 568639508 /nfs/dbraw/zinc/63/95/08/568639508.db2.gz XCZMIVYDFFJYTH-UHFFFAOYSA-N 0 0 447.557 4.431 40 5 IIBBRN CC[C@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222537431 568651724 /nfs/dbraw/zinc/65/17/24/568651724.db2.gz RBQWDXPVEFBTTH-GOSISDBHSA-N 0 0 433.530 4.012 40 5 IIBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222629255 568655414 /nfs/dbraw/zinc/65/54/14/568655414.db2.gz UKCAMEVIVBEHEV-QGZVFWFLSA-N 0 0 443.569 4.160 40 5 IIBBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000223078893 568778796 /nfs/dbraw/zinc/77/87/96/568778796.db2.gz YYJHMHJOQHUCDQ-SFTDATJTSA-N 0 0 438.509 4.259 40 5 IIBBRN COc1cc(/C=C/C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(OC)c1OC ZINC000001470131 568819875 /nfs/dbraw/zinc/81/98/75/568819875.db2.gz WKHHZROAKCLEDJ-BQYQJAHWSA-N 0 0 441.465 4.396 40 5 IIBBRN CC(C)(COC(=O)Nc1ccc([N+](=O)[O-])cc1)COC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006133871 568844867 /nfs/dbraw/zinc/84/48/67/568844867.db2.gz XJZKEUVXHUWPDG-UHFFFAOYSA-N 0 0 432.389 4.326 40 5 IIBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224201489 568915951 /nfs/dbraw/zinc/91/59/51/568915951.db2.gz AJJUCDCNDKYWOD-JOCHJYFZSA-N 0 0 437.540 4.312 40 5 IIBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224244466 568916617 /nfs/dbraw/zinc/91/66/17/568916617.db2.gz GFRJCJNWSITMAD-JOCHJYFZSA-N 0 0 437.540 4.312 40 5 IIBBRN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3F)cc2)ccc1[N+](=O)[O-] ZINC000224538559 568937578 /nfs/dbraw/zinc/93/75/78/568937578.db2.gz LNONJCUYBBIRSL-UHFFFAOYSA-N 0 0 429.429 4.095 40 5 IIBBRN CCOc1ccccc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000017095895 569172709 /nfs/dbraw/zinc/17/27/09/569172709.db2.gz RUTDNXNUGDXTHW-UHFFFAOYSA-N 0 0 428.514 4.111 40 5 IIBBRN CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3n2)cc1 ZINC000017097462 569172858 /nfs/dbraw/zinc/17/28/58/569172858.db2.gz SKLSITUGSJBGPH-UHFFFAOYSA-N 0 0 431.452 4.217 40 5 IIBBRN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000017101912 569173357 /nfs/dbraw/zinc/17/33/57/569173357.db2.gz WBYQLKRELDHFBW-UHFFFAOYSA-N 0 0 438.311 4.408 40 5 IIBBRN CC[C@@H](C)c1ccc(OCC(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000017097731 569173450 /nfs/dbraw/zinc/17/34/50/569173450.db2.gz JMWNHDPCEFBNFN-MRXNPFEDSA-N 0 0 431.920 4.489 40 5 IIBBRN COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000017101323 569173824 /nfs/dbraw/zinc/17/38/24/569173824.db2.gz KXQOXZRXUOPXSE-UHFFFAOYSA-N 0 0 437.477 4.309 40 5 IIBBRN Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](C)C(=O)NC1CCCCC1 ZINC000224680043 569179551 /nfs/dbraw/zinc/17/95/51/569179551.db2.gz YBSPCWUZAZJCJZ-IBGZPJMESA-N 0 0 437.540 4.312 40 5 IIBBRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225073125 569214121 /nfs/dbraw/zinc/21/41/21/569214121.db2.gz MFLNOLHPLQOUNX-NRFANRHFSA-N 0 0 443.569 4.162 40 5 IIBBRN O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc(OCc2ccccc2)c1 ZINC000008902405 569292069 /nfs/dbraw/zinc/29/20/69/569292069.db2.gz RFYDMGTUNPGQQE-UHFFFAOYSA-N 0 0 433.464 4.263 40 5 IIBBRN Cc1cc2c3nnc(SCC(=O)Nc4ccc(Cl)c([N+](=O)[O-])c4)nc3[nH]c2c(C)c1 ZINC000009057528 569293297 /nfs/dbraw/zinc/29/32/97/569293297.db2.gz UVLYMDGNABREMF-UHFFFAOYSA-N 0 0 442.888 4.415 40 5 IIBBRN Cn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(Cl)cc1 ZINC000009532831 569297215 /nfs/dbraw/zinc/29/72/15/569297215.db2.gz QLASBBNVVHFYFT-UHFFFAOYSA-N 0 0 438.296 4.428 40 5 IIBBRN Cc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225517987 569305526 /nfs/dbraw/zinc/30/55/26/569305526.db2.gz YMGUUTKNYGAZNA-GOSISDBHSA-N 0 0 443.569 4.078 40 5 IIBBRN CC[C@@H](NC(=O)[C@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000260512532 569307123 /nfs/dbraw/zinc/30/71/23/569307123.db2.gz XRTGOOUGTRVMNJ-RTWAWAEBSA-N 0 0 447.557 4.024 40 5 IIBBRN Cc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)nn12 ZINC000032126780 569460368 /nfs/dbraw/zinc/46/03/68/569460368.db2.gz BSZUAHFBVOLVPU-UHFFFAOYSA-N 0 0 428.861 4.284 40 5 IIBBRN Cc1ccccc1N1O[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]1c1cccs1 ZINC000004163279 569460558 /nfs/dbraw/zinc/46/05/58/569460558.db2.gz OCTBGNLBMWPCNX-VAMGGRTRSA-N 0 0 435.461 4.016 40 5 IIBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 ZINC000059503324 569461626 /nfs/dbraw/zinc/46/16/26/569461626.db2.gz IAQOCUIOGPLLCD-ZRDDSIGQSA-N 0 0 430.847 4.125 40 5 IIBBRN CCOP(=O)(OCC)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000002686444 520241896 /nfs/dbraw/zinc/24/18/96/520241896.db2.gz BCHKNFJDINBGLK-GFCCVEGCSA-N 0 0 433.612 4.287 40 5 IIBBRN CC[C@@H](C)N(Cc1nc(-c2cccc(C)c2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000022257246 522103737 /nfs/dbraw/zinc/10/37/37/522103737.db2.gz ZFTWHZJPKKGPMM-QGZVFWFLSA-N 0 0 438.484 4.468 40 5 IIBBRN COc1cc(NC(=O)c2ccccc2I)c(Cl)cc1[N+](=O)[O-] ZINC000016194894 522729124 /nfs/dbraw/zinc/72/91/24/522729124.db2.gz AYVYUGDFHFHRCR-UHFFFAOYSA-N 0 0 432.601 4.114 40 5 IIBBRN COc1ccc(-c2cc(C)nc(SC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1 ZINC000016283690 523105559 /nfs/dbraw/zinc/10/55/59/523105559.db2.gz GBKFCDLGCKEGPX-UHFFFAOYSA-N 0 0 426.410 4.210 40 5 IIBBRN CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000882919 523196412 /nfs/dbraw/zinc/19/64/12/523196412.db2.gz KBUSFLQQOMFURM-UHFFFAOYSA-N 0 0 446.920 4.203 40 5 IIBBRN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cccc(F)c1 ZINC000408606099 555966589 /nfs/dbraw/zinc/96/65/89/555966589.db2.gz NYOSRHCLWUYUNZ-VQHVLOKHSA-N 0 0 427.388 4.227 40 5 IIBBRN O=C(CSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000006474827 556090768 /nfs/dbraw/zinc/09/07/68/556090768.db2.gz ULCSUDYDOLQVON-UHFFFAOYSA-N 0 0 447.476 4.279 40 5 IIBBRN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc2)cc1 ZINC000408688889 556616355 /nfs/dbraw/zinc/61/63/55/556616355.db2.gz XAUSYDMGQVUGGN-JOCHJYFZSA-N 0 0 437.473 4.201 40 5 IIBBRN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccccc2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408684221 556617189 /nfs/dbraw/zinc/61/71/89/556617189.db2.gz NBBJRBANMYRDGJ-QFIPXVFZSA-N 0 0 437.473 4.201 40 5 IIBBRN Cc1cccc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)c1 ZINC000408737816 556619182 /nfs/dbraw/zinc/61/91/82/556619182.db2.gz PBCJMGNJSUWKBP-JOCHJYFZSA-N 0 0 433.464 4.379 40 5 IIBBRN Cc1cc(I)ccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000409149114 556631651 /nfs/dbraw/zinc/63/16/51/556631651.db2.gz XPUAFMIRPWGSAM-UHFFFAOYSA-N 0 0 442.278 4.380 40 5 IIBBRN Cc1ccc(N2C(=O)c3ccc(C(=O)OCc4ccccc4[N+](=O)[O-])cc3C2=O)c(C)c1 ZINC000409179722 556631924 /nfs/dbraw/zinc/63/19/24/556631924.db2.gz ULWNTDCXVBRFGF-UHFFFAOYSA-N 0 0 430.416 4.369 40 5 IIBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000409213794 556634862 /nfs/dbraw/zinc/63/48/62/556634862.db2.gz VFCXNKROELNFJW-YXHQGMJNSA-N 0 0 430.438 4.233 40 5 IIBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)o1 ZINC000409248311 556635822 /nfs/dbraw/zinc/63/58/22/556635822.db2.gz PLOPKIBTGKGKET-XDHOZWIPSA-N 0 0 433.420 4.265 40 5 IIBBRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000409374309 556638687 /nfs/dbraw/zinc/63/86/87/556638687.db2.gz MCQLVFRYMWCPEP-LICLKQGHSA-N 0 0 425.466 4.195 40 5 IIBBRN O=C(Oc1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000083312312 556698313 /nfs/dbraw/zinc/69/83/13/556698313.db2.gz LGKDLPBPTQSUES-NDENLUEZSA-N 0 0 432.363 4.298 40 5 IIBBRN O=C1C[C@@H](c2ccccc2)Cc2nc3nc(SCc4cccc([N+](=O)[O-])c4)nn3cc21 ZINC000013634224 556704783 /nfs/dbraw/zinc/70/47/83/556704783.db2.gz XJHHONLNTSPNII-INIZCTEOSA-N 0 0 431.477 4.238 40 5 IIBBRN O=C(Cc1ccccc1)Oc1ccccc1/C=C1/N=C(c2ccc([N+](=O)[O-])cc2)OC1=O ZINC000408848909 556870329 /nfs/dbraw/zinc/87/03/29/556870329.db2.gz XAWZGAYSJOFEJB-HMMYKYKNSA-N 0 0 428.400 4.087 40 5 IIBBRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000408908094 556884896 /nfs/dbraw/zinc/88/48/96/556884896.db2.gz TWIOKPFHZZXSNE-VGOFMYFVSA-N 0 0 437.477 4.356 40 5 IIBBRN COc1ccc(CCCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)o2)cc1 ZINC000409016567 556921308 /nfs/dbraw/zinc/92/13/08/556921308.db2.gz QITCJPPRPFJNSN-UHFFFAOYSA-N 0 0 442.497 4.201 40 5 IIBBRN O=C1N/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1ccccc1 ZINC000409197759 556995313 /nfs/dbraw/zinc/99/53/13/556995313.db2.gz OGXLQZQEFXFMQQ-HYARGMPZSA-N 0 0 429.432 4.267 40 5 IIBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O ZINC000409210047 557004644 /nfs/dbraw/zinc/00/46/44/557004644.db2.gz DGCCWONIZNMJCA-PGSWQMMVSA-N 0 0 433.269 4.280 40 5 IIBBRN Cc1c(NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000409313249 557058196 /nfs/dbraw/zinc/05/81/96/557058196.db2.gz IHXUFKAMTYGLJG-UHFFFAOYSA-N 0 0 439.493 4.122 40 5 IIBBRN COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C ZINC000014727631 557145401 /nfs/dbraw/zinc/14/54/01/557145401.db2.gz JSXIWUDODLMCGG-UHFFFAOYSA-N 0 0 428.481 4.284 40 5 biogenic,in-vitro IIBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000000793026 557192797 /nfs/dbraw/zinc/19/27/97/557192797.db2.gz DSMRIARQJWMQKV-UHFFFAOYSA-N 0 0 437.905 4.065 40 5 IIBBRN Cc1c(C(=O)Nc2ccc(F)cc2)cnc2nc(SCc3cccc([N+](=O)[O-])c3)nn21 ZINC000014164119 557312355 /nfs/dbraw/zinc/31/23/55/557312355.db2.gz XBNSVVSQEKBDAQ-UHFFFAOYSA-N 0 0 438.444 4.025 40 5 IIBBRN O=C(NC(=S)Nc1cccc(Br)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014269923 557332396 /nfs/dbraw/zinc/33/23/96/557332396.db2.gz IXRZKIYCBUSWEK-UHFFFAOYSA-N 0 0 449.330 4.084 40 5 IIBBRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)c1 ZINC000408573910 557419060 /nfs/dbraw/zinc/41/90/60/557419060.db2.gz FFOPWVCQPQTCQT-UHFFFAOYSA-N 0 0 425.466 4.265 40 5 IIBBRN COc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OC ZINC000408571613 557419619 /nfs/dbraw/zinc/41/96/19/557419619.db2.gz PGDRLZNASONLKK-GOSISDBHSA-N 0 0 434.905 4.356 40 5 IIBBRN O=C(Nc1ccc(Br)cc1Cl)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408640487 557424282 /nfs/dbraw/zinc/42/42/82/557424282.db2.gz IXGBDRJOPGYXRO-JTQLQIEISA-N 0 0 438.665 4.002 40 5 IIBBRN Cc1cccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1C ZINC000222634380 568655823 /nfs/dbraw/zinc/65/58/23/568655823.db2.gz UGVYATJMLXRCMY-UHFFFAOYSA-N 0 0 439.921 4.050 40 5 IIBBRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223658360 568876309 /nfs/dbraw/zinc/87/63/09/568876309.db2.gz UXYLAEYBHMNAKE-NRFANRHFSA-N 0 0 425.529 4.169 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2C)c1 ZINC000224121110 568905876 /nfs/dbraw/zinc/90/58/76/568905876.db2.gz GAXSPBLLXBFTRT-UHFFFAOYSA-N 0 0 439.493 4.289 40 5 IIBBRN O=[N+]([O-])c1ccc(S(=O)(=O)N2C(=S)Nc3ccccc3[C@@H]2c2ccccc2)cc1 ZINC000016478545 568909435 /nfs/dbraw/zinc/90/94/35/568909435.db2.gz LCRZQAPOPBWZAV-IBGZPJMESA-N 0 0 425.491 4.086 40 5 IIBBRN CCCOc1ccc([N+](=O)[O-])cc1[C@H]1Nc2ccccc2[C@H]2C(=O)NC(SCC)=NN12 ZINC000588229076 569145715 /nfs/dbraw/zinc/14/57/15/569145715.db2.gz CDYFNAOCMSDVPA-OALUTQOASA-N 0 0 441.513 4.005 40 5 IIBBRN Cc1cc(O)c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1C ZINC000017095907 569172488 /nfs/dbraw/zinc/17/24/88/569172488.db2.gz ZTSTUXWSIRUZFP-UHFFFAOYSA-N 0 0 428.514 4.034 40 5 IIBBRN CCOc1ccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1Cl ZINC000017100850 569173808 /nfs/dbraw/zinc/17/38/08/569173808.db2.gz JQXFQFKPLNFKDB-UHFFFAOYSA-N 0 0 436.902 4.383 40 5 IIBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224705866 569182094 /nfs/dbraw/zinc/18/20/94/569182094.db2.gz PDNQNSSNNXPFLS-FQEVSTJZSA-N 0 0 445.947 4.370 40 5 IIBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224742923 569184586 /nfs/dbraw/zinc/18/45/86/569184586.db2.gz UHCIEKPQEWCENM-SFHVURJKSA-N 0 0 443.569 4.080 40 5 IIBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225137281 569218101 /nfs/dbraw/zinc/21/81/01/569218101.db2.gz NQPXYSQOXXYZNE-CVEARBPZSA-N 0 0 431.920 4.123 40 5 IIBBRN Cc1ccc(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc1 ZINC000009062365 569219512 /nfs/dbraw/zinc/21/95/12/569219512.db2.gz JYAVVIUPQPWQCW-UHFFFAOYSA-N 0 0 443.419 4.458 40 5 IIBBRN CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000009062490 569219676 /nfs/dbraw/zinc/21/96/76/569219676.db2.gz QZAOSWPFYUITHQ-UHFFFAOYSA-N 0 0 425.470 4.350 40 5 IIBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000009903416 569220087 /nfs/dbraw/zinc/22/00/87/569220087.db2.gz XTNPOAALEOVBLL-UHFFFAOYSA-N 0 0 431.857 4.301 40 5 IIBBRN CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000033599517 569244806 /nfs/dbraw/zinc/24/48/06/569244806.db2.gz DFLMKHSYSTZGQL-UHFFFAOYSA-N 0 0 439.449 4.158 40 5 IIBBRN CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000033680878 569245738 /nfs/dbraw/zinc/24/57/38/569245738.db2.gz MSWJYBDALAOVAT-HNNXBMFYSA-N 0 0 425.514 4.298 40 5 IIBBRN O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc([N+](=O)[O-])cc1 ZINC000060591736 569249902 /nfs/dbraw/zinc/24/99/02/569249902.db2.gz KTNFMXJIDRYXDW-UHFFFAOYSA-N 0 0 430.756 4.456 40 5 IIBBRN CN(C)c1ccc([C@@H]2[C@@H]([N+](=O)[O-])[C@@H]3c4ccccc4C=NN3[C@@H]2C(=O)c2ccccc2)cc1 ZINC000009008774 569292796 /nfs/dbraw/zinc/29/27/96/569292796.db2.gz PRAVMSFPXRPZKR-RCTAOEEJSA-N 0 0 440.503 4.137 40 5 IIBBRN CC[C@@H](NC(=O)[C@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1C ZINC000260504266 569306888 /nfs/dbraw/zinc/30/68/88/569306888.db2.gz FZVHMMRPSKEHIK-RTWAWAEBSA-N 0 0 447.557 4.024 40 5 IIBBRN C[C@@H](Sc1nnc(CNc2cccc(Cl)c2)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000013423961 569316083 /nfs/dbraw/zinc/31/60/83/569316083.db2.gz AYQWRUGCVXSKFF-GFCCVEGCSA-N 0 0 446.920 4.108 40 5 IIBBRN CCNc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329029594 569321989 /nfs/dbraw/zinc/32/19/89/569321989.db2.gz PZICQKWUALWLSS-UHFFFAOYSA-N 0 0 437.353 4.109 40 5 IIBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2cc(Br)ccc2Cl)cc1[N+](=O)[O-] ZINC000020529060 569371545 /nfs/dbraw/zinc/37/15/45/569371545.db2.gz FULMRYPWIDNALO-UHFFFAOYSA-N 0 0 430.598 4.180 40 5 IIBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1 ZINC000022278307 569402670 /nfs/dbraw/zinc/40/26/70/569402670.db2.gz NAWXOQGDUZIZJL-UHFFFAOYSA-N 0 0 445.884 4.082 40 5 IIBBRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000032115002 569460268 /nfs/dbraw/zinc/46/02/68/569460268.db2.gz YDNQWEPXUYQMAB-UHFFFAOYSA-N 0 0 444.513 4.167 40 5 IIBBRN O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000059483308 569461604 /nfs/dbraw/zinc/46/16/04/569461604.db2.gz UIGXPSFXAZGPGS-UHFFFAOYSA-N 0 0 437.308 4.474 40 5 IIBBRN O=C(N[C@H](Cc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1)OCc1ccccc1 ZINC000039501190 569481681 /nfs/dbraw/zinc/48/16/81/569481681.db2.gz UQMKSJHSHSCQBP-JOCHJYFZSA-N 0 0 434.448 4.176 40 5 IIBBRN O=C(NC(=S)Nc1nc2ccc(F)cc2s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000008831082 569583537 /nfs/dbraw/zinc/58/35/37/569583537.db2.gz MWNJGLFUIIAMLK-UHFFFAOYSA-N 0 0 445.501 4.071 40 5 IIBBRN O=C(CCSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)Nc1ccccn1 ZINC000020530593 526545539 /nfs/dbraw/zinc/54/55/39/526545539.db2.gz UDJZHKCXBVMESH-UHFFFAOYSA-N 0 0 446.492 4.358 40 5 IIBBRN Cc1sc2ncn3c(SCC(=O)Nc4ccc(Cl)c([N+](=O)[O-])c4)nnc3c2c1C ZINC000012491094 526898559 /nfs/dbraw/zinc/89/85/59/526898559.db2.gz UXAJTJVKCZPSNG-UHFFFAOYSA-N 0 0 448.917 4.248 40 5 IIBBRN O=C1C[C@H](c2ccc(F)cc2)Cc2nc3nc(SCc4cccc([N+](=O)[O-])c4)nn3cc21 ZINC000020671471 527031680 /nfs/dbraw/zinc/03/16/80/527031680.db2.gz ZSYIENPHJQNPFT-OAHLLOKOSA-N 0 0 449.467 4.377 40 5 IIBBRN CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1cccc(Cl)c1 ZINC000009823149 556309400 /nfs/dbraw/zinc/30/94/00/556309400.db2.gz QFWVJNYRXUEYCK-UHFFFAOYSA-N 0 0 447.904 4.266 40 5 IIBBRN CS(=O)(=O)N(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl ZINC000408703636 556617975 /nfs/dbraw/zinc/61/79/75/556617975.db2.gz VEKHKUZJBRKYGM-UHFFFAOYSA-N 0 0 446.312 4.087 40 5 IIBBRN O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000408704686 556618039 /nfs/dbraw/zinc/61/80/39/556618039.db2.gz RKWHUICHROWUNQ-UHFFFAOYSA-N 0 0 445.884 4.329 40 5 IIBBRN CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408732370 556619143 /nfs/dbraw/zinc/61/91/43/556619143.db2.gz QHJFECUEIUXVIY-KRWDZBQOSA-N 0 0 435.889 4.206 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000408738282 556619537 /nfs/dbraw/zinc/61/95/37/556619537.db2.gz RBHRKIPSTOLPAH-QFIPXVFZSA-N 0 0 433.464 4.379 40 5 IIBBRN O=C1CCC[C@]2(c3ccc([N+](=O)[O-])cc3)[C@H]1[C@H]1C(=O)CCC[C@@]12c1ccc([N+](=O)[O-])cc1 ZINC000005051907 556627687 /nfs/dbraw/zinc/62/76/87/556627687.db2.gz VBZAFOXGSKTOGM-YCAMKHIRSA-N 0 0 434.448 4.431 40 5 IIBBRN O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000409027185 556628435 /nfs/dbraw/zinc/62/84/35/556628435.db2.gz BRHCUIFUDXZKFK-UHFFFAOYSA-N 0 0 445.884 4.082 40 5 IIBBRN COCCN1C(=O)S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O ZINC000409138736 556631070 /nfs/dbraw/zinc/63/10/70/556631070.db2.gz HFYZAUUDKFTYOQ-UDWIEESQSA-N 0 0 437.477 4.281 40 5 IIBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](C)Oc1ccccc1 ZINC000409335710 556637004 /nfs/dbraw/zinc/63/70/04/556637004.db2.gz YWKDZQYRUPGESV-HNNXBMFYSA-N 0 0 441.513 4.385 40 5 IIBBRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)c(C)c1 ZINC000013811005 556743694 /nfs/dbraw/zinc/74/36/94/556743694.db2.gz IVBAGKFXHHRVFK-VABKMULXSA-N 0 0 443.459 4.263 40 5 IIBBRN COC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C\c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000033984301 556747660 /nfs/dbraw/zinc/74/76/60/556747660.db2.gz XTFPDGZNWTZCMF-HHMVEJHFSA-N 0 0 448.475 4.259 40 5 IIBBRN O=C1N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1Cc1ccc(F)cc1 ZINC000409015850 556921219 /nfs/dbraw/zinc/92/12/19/556921219.db2.gz BYYHEGDOLLWVOA-LPYMAVHISA-N 0 0 447.422 4.406 40 5 IIBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1 ZINC000409157511 556980141 /nfs/dbraw/zinc/98/01/41/556980141.db2.gz VDGQDQFPUCXOGL-SXGWCWSVSA-N 0 0 431.857 4.232 40 5 IIBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 ZINC000409175655 556985462 /nfs/dbraw/zinc/98/54/62/556985462.db2.gz AGDXNCSBEAZLBW-UHFFFAOYSA-N 0 0 433.416 4.471 40 5 IIBBRN Cc1ccccc1CN(c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1)S(C)(=O)=O ZINC000409175579 556985485 /nfs/dbraw/zinc/98/54/85/556985485.db2.gz ZYTLEADQOIWJDJ-UHFFFAOYSA-N 0 0 439.493 4.122 40 5 IIBBRN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000409178041 556986823 /nfs/dbraw/zinc/98/68/23/556986823.db2.gz GAIUUFGQHJXMOR-YCIYHOANSA-N 0 0 428.419 4.305 40 5 IIBBRN CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000409179715 556987818 /nfs/dbraw/zinc/98/78/18/556987818.db2.gz NJCMJPQBWFAJHW-URFUVCHWSA-N 0 0 442.446 4.479 40 5 IIBBRN COC(=O)c1ccc(Oc2ccc(-c3nc4ccccc4c(=O)[nH]3)cc2OC)c([N+](=O)[O-])c1 ZINC000409256313 557035093 /nfs/dbraw/zinc/03/50/93/557035093.db2.gz NOCWPSWYYKHIEF-UHFFFAOYSA-N 0 0 447.403 4.498 40 5 IIBBRN COc1ccc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] ZINC000409347210 557075574 /nfs/dbraw/zinc/07/55/74/557075574.db2.gz MVVDTKIKJFGXOA-RQZCQDPDSA-N 0 0 432.841 4.176 40 5 IIBBRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)c(C)c1 ZINC000409374047 557090302 /nfs/dbraw/zinc/09/03/02/557090302.db2.gz JOZMDAACEJWXJD-LICLKQGHSA-N 0 0 425.466 4.195 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000220381947 557133949 /nfs/dbraw/zinc/13/39/49/557133949.db2.gz XGVZEBBIJRCSPO-LLVKDONJSA-N 0 0 446.312 4.003 40 5 IIBBRN Cc1c(NC(=O)[C@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220434384 557155084 /nfs/dbraw/zinc/15/50/84/557155084.db2.gz IXMTZIDVGNAESB-NSHDSACASA-N 0 0 446.312 4.003 40 5 IIBBRN Cc1cc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1Br ZINC000010667263 557224063 /nfs/dbraw/zinc/22/40/63/557224063.db2.gz HYPOINCRCSGWBC-UHFFFAOYSA-N 0 0 427.638 4.115 40 5 IIBBRN Cc1[nH][nH]c(=O)c1C(c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1c(C)[nH][nH]c1=O ZINC000014134622 557308962 /nfs/dbraw/zinc/30/89/62/557308962.db2.gz YAGMWHNSJHJZOS-UHFFFAOYSA-N 0 0 429.820 4.163 40 5 IIBBRN COc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccc([N+](=O)[O-])c(OC)c3)n2)cc1 ZINC000408557603 557416248 /nfs/dbraw/zinc/41/62/48/557416248.db2.gz PGMDVCQTMLRMOB-UHFFFAOYSA-N 0 0 440.481 4.108 40 5 IIBBRN O=C(COC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000408620336 557422212 /nfs/dbraw/zinc/42/22/12/557422212.db2.gz LWKRHCKWIQRZAB-UHFFFAOYSA-N 0 0 430.756 4.456 40 5 IIBBRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408637886 557423609 /nfs/dbraw/zinc/42/36/09/557423609.db2.gz AQOBFYOBTDLIFZ-JTQLQIEISA-N 0 0 427.766 4.259 40 5 IIBBRN Cc1ccc(-c2csc(NC(=O)CCC(=O)OCc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000024522202 557439538 /nfs/dbraw/zinc/43/95/38/557439538.db2.gz XPWZMCDXWHGVGO-UHFFFAOYSA-N 0 0 425.466 4.489 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)o1 ZINC000000856412 557830449 /nfs/dbraw/zinc/83/04/49/557830449.db2.gz GORUWFCUCUAOEC-UHFFFAOYSA-N 0 0 434.861 4.249 40 5 IIBBRN CC[C@@H](NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1C ZINC000222368193 568638484 /nfs/dbraw/zinc/63/84/84/568638484.db2.gz AXRCRPAJKYMSKR-OAQYLSRUSA-N 0 0 447.557 4.025 40 5 IIBBRN CC[C@@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222523700 568650286 /nfs/dbraw/zinc/65/02/86/568650286.db2.gz UGOOLPFPUBHSJZ-IBGZPJMESA-N 0 0 433.530 4.210 40 5 IIBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NC1CCCCCCC1 ZINC000218224926 568740826 /nfs/dbraw/zinc/74/08/26/568740826.db2.gz HGOKMFREHFZTSS-UHFFFAOYSA-N 0 0 445.541 4.019 40 5 IIBBRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222949643 568754620 /nfs/dbraw/zinc/75/46/20/568754620.db2.gz RFAUMTJIXYKVRR-SFHVURJKSA-N 0 0 443.569 4.162 40 5 IIBBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000223078951 568778729 /nfs/dbraw/zinc/77/87/29/568778729.db2.gz YYJHMHJOQHUCDQ-RTWAWAEBSA-N 0 0 438.509 4.259 40 5 IIBBRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223658305 568876313 /nfs/dbraw/zinc/87/63/13/568876313.db2.gz UXYLAEYBHMNAKE-OAQYLSRUSA-N 0 0 425.529 4.169 40 5 IIBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000223968255 568880151 /nfs/dbraw/zinc/88/01/51/568880151.db2.gz XCOUAPSXRDCHRA-UHFFFAOYSA-N 0 0 449.847 4.440 40 5 IIBBRN N=C1NC(=O)/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)S1 ZINC000016401737 568887594 /nfs/dbraw/zinc/88/75/94/568887594.db2.gz HWBVCJOEXMJXTH-NVNXTCNLSA-N 0 0 434.271 4.075 40 5 IIBBRN Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000224121271 568905901 /nfs/dbraw/zinc/90/59/01/568905901.db2.gz GCWXCAVLNNOYOL-UHFFFAOYSA-N 0 0 439.493 4.289 40 5 IIBBRN Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cccc1[N+](=O)[O-] ZINC000224528317 568937242 /nfs/dbraw/zinc/93/72/42/568937242.db2.gz HTEFZWCJKXETNW-UHFFFAOYSA-N 0 0 429.429 4.095 40 5 IIBBRN CCOc1ccc(C(=O)Nc2ccc(N3CCN(CC)CC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000016681533 568937343 /nfs/dbraw/zinc/93/73/43/568937343.db2.gz CNDMWXMIPAMRDD-UHFFFAOYSA-N 0 0 432.908 4.041 40 5 IIBBRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000017097456 569172723 /nfs/dbraw/zinc/17/27/23/569172723.db2.gz RAPKRJRUVRVKLL-MDWZMJQESA-N 0 0 431.448 4.413 40 5 IIBBRN O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000017102036 569173464 /nfs/dbraw/zinc/17/34/64/569173464.db2.gz VEDDSWAYHIONQD-UHFFFAOYSA-N 0 0 438.431 4.341 40 5 IIBBRN Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H](C)C(=O)NC1CCCCC1 ZINC000224680091 569179555 /nfs/dbraw/zinc/17/95/55/569179555.db2.gz YBSPCWUZAZJCJZ-LJQANCHMSA-N 0 0 437.540 4.312 40 5 IIBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225137211 569218094 /nfs/dbraw/zinc/21/80/94/569218094.db2.gz NQPXYSQOXXYZNE-HZPDHXFCSA-N 0 0 431.920 4.123 40 5 IIBBRN CC(C)CC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000009062480 569219673 /nfs/dbraw/zinc/21/96/73/569219673.db2.gz BVSUSEDIMAJHAI-UHFFFAOYSA-N 0 0 425.470 4.350 40 5 IIBBRN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000033658105 569245504 /nfs/dbraw/zinc/24/55/04/569245504.db2.gz GJKPYHYYODMDLZ-UHFFFAOYSA-N 0 0 441.513 4.133 40 5 IIBBRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008902558 569292059 /nfs/dbraw/zinc/29/20/59/569292059.db2.gz KOGHZARTBFQIDX-UHFFFAOYSA-N 0 0 439.512 4.497 40 5 IIBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225495923 569304500 /nfs/dbraw/zinc/30/45/00/569304500.db2.gz GICXDTZHAALLIX-GHTZIAJQSA-N 0 0 425.529 4.168 40 5 IIBBRN CC[C@@H](NC(=O)[C@H](CC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)cc1 ZINC000260511973 569307174 /nfs/dbraw/zinc/30/71/74/569307174.db2.gz TXJBAZCQMVBRAB-UXHICEINSA-N 0 0 447.557 4.024 40 5 IIBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(CNc2cccc(Cl)c2)n1C ZINC000013423963 569316156 /nfs/dbraw/zinc/31/61/56/569316156.db2.gz HOCQGLDCBMOYTO-UHFFFAOYSA-N 0 0 446.920 4.028 40 5 IIBBRN O=[N+]([O-])c1ccc(N2C(c3ccccc3)=N[C@@H](N3CCCCC3)[C@H]2N2CCCCC2)cc1 ZINC000019329960 569318457 /nfs/dbraw/zinc/31/84/57/569318457.db2.gz WJRWIWYSOBDDOG-DQEYMECFSA-N 0 0 433.556 4.486 40 5 IIBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCSCc2ccc(Cl)cc2Cl)c1 ZINC000020107506 569333987 /nfs/dbraw/zinc/33/39/87/569333987.db2.gz NHVLOHABEPDMFX-UHFFFAOYSA-N 0 0 435.354 4.254 40 5 IIBBRN Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)o2)c1 ZINC000020197009 569355663 /nfs/dbraw/zinc/35/56/63/569355663.db2.gz QQXCUJHBIUOZBH-UHFFFAOYSA-N 0 0 428.470 4.213 40 5 IIBBRN CCc1nnc2sc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3)nn12 ZINC000057316882 569430713 /nfs/dbraw/zinc/43/07/13/569430713.db2.gz UQISJOBAMJNDNL-UHFFFAOYSA-N 0 0 428.861 4.229 40 5 IIBBRN O=C1[C@@H]2[C@H](C(=O)N1c1cccc(Cl)c1)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000059503323 569461620 /nfs/dbraw/zinc/46/16/20/569461620.db2.gz IAQOCUIOGPLLCD-CAZKKTPXSA-N 0 0 430.847 4.125 40 5 IIBBRN CC(C)c1ccc(-n2nc3ccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3n2)cc1 ZINC000020610688 519834233 /nfs/dbraw/zinc/83/42/33/519834233.db2.gz OPGHGKNBIJBLOD-UHFFFAOYSA-N 0 0 431.452 4.470 40 5 IIBBRN Cc1cccc(N(Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)S(C)(=O)=O)c1 ZINC000010331145 556332170 /nfs/dbraw/zinc/33/21/70/556332170.db2.gz DBOMZDNPVSGAAU-UHFFFAOYSA-N 0 0 439.493 4.122 40 5 IIBBRN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2cccc([N+](=O)[O-])c2)C(=O)c2ccccc2)cc1 ZINC000408677531 556615546 /nfs/dbraw/zinc/61/55/46/556615546.db2.gz CBKITDOAQMXHGH-QFIPXVFZSA-N 0 0 437.473 4.201 40 5 IIBBRN CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408732371 556618961 /nfs/dbraw/zinc/61/89/61/556618961.db2.gz QHJFECUEIUXVIY-QGZVFWFLSA-N 0 0 435.889 4.206 40 5 IIBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000408738280 556619362 /nfs/dbraw/zinc/61/93/62/556619362.db2.gz RBHRKIPSTOLPAH-JOCHJYFZSA-N 0 0 433.464 4.379 40 5 IIBBRN Cc1ccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)o2)cc1[N+](=O)[O-] ZINC000409164905 556632294 /nfs/dbraw/zinc/63/22/94/556632294.db2.gz PLLVPPGSEOBNEO-UHFFFAOYSA-N 0 0 428.470 4.213 40 5 IIBBRN COc1cccc(C2=N/C(=C\c3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)O2)c1 ZINC000409189513 556632314 /nfs/dbraw/zinc/63/23/14/556632314.db2.gz PXKJSJRDADGQGX-ZHZULCJRSA-N 0 0 444.399 4.167 40 5 IIBBRN O=C(COC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1cccs1 ZINC000409180813 556632811 /nfs/dbraw/zinc/63/28/11/556632811.db2.gz VUSFGLLOEPYKLG-UHFFFAOYSA-N 0 0 428.378 4.397 40 5 IIBBRN CC(=O)Oc1ccc(C(=O)COC(=O)c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000409179813 556632819 /nfs/dbraw/zinc/63/28/19/556632819.db2.gz NSRBIPKZLDCJEU-UHFFFAOYSA-N 0 0 435.388 4.352 40 5 IIBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)cc1[N+](=O)[O-])C1(Cl)c3ccccc3C2c2ccccc21 ZINC000409177992 556633101 /nfs/dbraw/zinc/63/31/01/556633101.db2.gz IBXBRYFVXANHJB-ISQHLFTMSA-N 0 0 448.837 4.481 40 5 IIBBRN CCC(C)(C)[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)N2 ZINC000409351907 556638100 /nfs/dbraw/zinc/63/81/00/556638100.db2.gz BPKLNGPDTLANID-IIMJZQEZSA-N 0 0 441.450 4.439 40 5 IIBBRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000100712020 556655743 /nfs/dbraw/zinc/65/57/43/556655743.db2.gz OCOMGUVWMJYQJY-ACRUOGEOSA-N 0 0 449.850 4.299 40 5 IIBBRN C[C@H]1CCCN(C(=O)CSc2ncnc3c(-c4ccc([N+](=O)[O-])cc4)nsc32)C1 ZINC000013511049 556666770 /nfs/dbraw/zinc/66/67/70/556666770.db2.gz XKFRTYIAKMMINL-LBPRGKRZSA-N 0 0 429.527 4.012 40 5 IIBBRN COc1cc(OCC(=O)NCCSCc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000219821585 556677941 /nfs/dbraw/zinc/67/79/41/556677941.db2.gz NRLDFGVBOAIRQV-UHFFFAOYSA-N 0 0 445.324 4.339 40 5 IIBBRN O=C1C[C@H](c2cccs2)Cc2nc3nc(SCc4ccc([N+](=O)[O-])cc4)nn3cc21 ZINC000013634411 556704731 /nfs/dbraw/zinc/70/47/31/556704731.db2.gz WLRMVTUDHFVMEK-CYBMUJFWSA-N 0 0 437.506 4.299 40 5 IIBBRN CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)cc1 ZINC000013842448 556745214 /nfs/dbraw/zinc/74/52/14/556745214.db2.gz NMQVYAQPCHFLAH-UHFFFAOYSA-N 0 0 441.513 4.157 40 5 IIBBRN CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000409202587 557001744 /nfs/dbraw/zinc/00/17/44/557001744.db2.gz RTDYURKKNBMOMT-RQZCQDPDSA-N 0 0 430.438 4.090 40 5 IIBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O ZINC000409210050 557004590 /nfs/dbraw/zinc/00/45/90/557004590.db2.gz DGCCWONIZNMJCA-ZGJMHTSCSA-N 0 0 433.269 4.280 40 5 IIBBRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000409316027 557060430 /nfs/dbraw/zinc/06/04/30/557060430.db2.gz KHUMFGVQEDTJSI-UHFFFAOYSA-N 0 0 439.493 4.289 40 5 IIBBRN CCc1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1 ZINC000409339578 557067408 /nfs/dbraw/zinc/06/74/08/557067408.db2.gz WMPAFUFHZMZBPP-UHFFFAOYSA-N 0 0 428.470 4.158 40 5 IIBBRN O=C(CN1C(=O)SC(=Cc2ccc(Cl)c([N+](=O)[O-])c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409358566 557085403 /nfs/dbraw/zinc/08/54/03/557085403.db2.gz LVMMKIQZHZKMEP-PXNMLYILSA-N 0 0 447.812 4.076 40 5 IIBBRN Cn1c(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)nnc1-c1ccccc1 ZINC000409412682 557109135 /nfs/dbraw/zinc/10/91/35/557109135.db2.gz XKSCFMFPLPNIFD-UHFFFAOYSA-N 0 0 438.296 4.428 40 5 IIBBRN COc1cc(OCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000219821649 557268841 /nfs/dbraw/zinc/26/88/41/557268841.db2.gz LEDDOEZESRVNJQ-UHFFFAOYSA-N 0 0 445.324 4.339 40 5 IIBBRN CC(=O)n1nc(-c2ccccc2Cl)nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000013371460 557309108 /nfs/dbraw/zinc/30/91/08/557309108.db2.gz QRBPJUXLGFVNCA-UHFFFAOYSA-N 0 0 445.888 4.206 40 5 IIBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(OC)c1OC ZINC000408571971 557419059 /nfs/dbraw/zinc/41/90/59/557419059.db2.gz QDNBOGIMQFQRDO-IBGZPJMESA-N 0 0 444.513 4.020 40 5 IIBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OC)c(OC)c2)cc1 ZINC000408572615 557419529 /nfs/dbraw/zinc/41/95/29/557419529.db2.gz RMNIVTZGZLKMFH-FQEVSTJZSA-N 0 0 444.513 4.102 40 5 IIBBRN COC(=O)c1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1 ZINC000408577379 557419775 /nfs/dbraw/zinc/41/97/75/557419775.db2.gz ZDCZIMHQMLEIHP-QGZVFWFLSA-N 0 0 432.889 4.126 40 5 IIBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCC)cc1 ZINC000408574420 557419996 /nfs/dbraw/zinc/41/99/96/557419996.db2.gz UTOLGHSTPHPXSB-FQEVSTJZSA-N 0 0 428.514 4.483 40 5 IIBBRN CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000408602505 557421058 /nfs/dbraw/zinc/42/10/58/557421058.db2.gz BZLWPMSYOJEWRM-OAQYLSRUSA-N 0 0 449.488 4.348 40 5 IIBBRN CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000014126565 557421037 /nfs/dbraw/zinc/42/10/37/557421037.db2.gz TZIFOUUQVMPGPL-UHFFFAOYSA-N 0 0 441.513 4.133 40 5 IIBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O ZINC000408640877 557424428 /nfs/dbraw/zinc/42/44/28/557424428.db2.gz KCQZFGCYDSYKFI-MRXNPFEDSA-N 0 0 447.447 4.387 40 5 IIBBRN Cc1c(Cl)c(Br)ccc1NC(=O)COC(=O)c1ccccc1[N+](=O)[O-] ZINC000408645406 557425011 /nfs/dbraw/zinc/42/50/11/557425011.db2.gz KLGMLZMOBCSODA-UHFFFAOYSA-N 0 0 427.638 4.115 40 5 IIBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2ccc(Cc3ccccc3)cc2)CC1=O ZINC000408668152 557427313 /nfs/dbraw/zinc/42/73/13/557427313.db2.gz QXTXRCOHKZKSKR-IBGZPJMESA-N 0 0 446.459 4.153 40 5 IIBBRN Cc1cccc(NC(=O)CSc2nnc(CNc3ccc(C)c([N+](=O)[O-])c3)o2)c1C ZINC000000873644 557840965 /nfs/dbraw/zinc/84/09/65/557840965.db2.gz IIYHCFKSNAKECG-UHFFFAOYSA-N 0 0 427.486 4.246 40 5 IIBBRN CC[C@H](C(=O)N[C@@H](CC(C)C)c1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222529722 568650519 /nfs/dbraw/zinc/65/05/19/568650519.db2.gz KYRUKGDYAIDKRX-LEWJYISDSA-N 0 0 447.557 4.043 40 5 IIBBRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000026124637 568851419 /nfs/dbraw/zinc/85/14/19/568851419.db2.gz ZZZVITYFAQUVJC-UHFFFAOYSA-N 0 0 437.843 4.308 40 5 IIBBRN COc1ccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)cc1[N+](=O)[O-] ZINC000016284286 568875442 /nfs/dbraw/zinc/87/54/42/568875442.db2.gz INMZUPYFZOQUFJ-UHFFFAOYSA-N 0 0 436.902 4.302 40 5 IIBBRN CC(C)(C)c1ccc(OCC(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 ZINC000016323229 568876870 /nfs/dbraw/zinc/87/68/70/568876870.db2.gz DOJDHBOEGJIFMI-UHFFFAOYSA-N 0 0 431.920 4.273 40 5 IIBBRN N=C1NC(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2[N+](=O)[O-])S1 ZINC000016449897 568903061 /nfs/dbraw/zinc/90/30/61/568903061.db2.gz RSEDZQUXRWWWEC-NVNXTCNLSA-N 0 0 434.271 4.075 40 5 IIBBRN CN(c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000224232450 568916548 /nfs/dbraw/zinc/91/65/48/568916548.db2.gz FCJJSAYKIYJHNB-UHFFFAOYSA-N 0 0 445.884 4.326 40 5 IIBBRN CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224605958 568941176 /nfs/dbraw/zinc/94/11/76/568941176.db2.gz PQSOWSZRRQWKCK-QFIPXVFZSA-N 0 0 437.540 4.046 40 5 IIBBRN CN1C[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccc(F)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000036550272 569117409 /nfs/dbraw/zinc/11/74/09/569117409.db2.gz NHQIVFXMURBVAS-UWUFEASWSA-N 0 0 445.450 4.110 40 5 IIBBRN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)c1cccc(OCc2ccccc2)c1 ZINC000017094396 569172525 /nfs/dbraw/zinc/17/25/25/569172525.db2.gz MZYSNOOGLJFCCU-UHFFFAOYSA-N 0 0 425.441 4.440 40 5 IIBBRN Cc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)cc1[N+](=O)[O-] ZINC000017096156 569172600 /nfs/dbraw/zinc/17/26/00/569172600.db2.gz FLPNFXWCLHQGST-UHFFFAOYSA-N 0 0 428.695 4.446 40 5 IIBBRN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)c1ccc(OCc2ccccc2)cc1 ZINC000017094388 569173079 /nfs/dbraw/zinc/17/30/79/569173079.db2.gz WYWTUTFWZKMOBU-UHFFFAOYSA-N 0 0 425.441 4.440 40 5 IIBBRN CC[C@H](C)c1ccc(OCC(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000017097732 569173718 /nfs/dbraw/zinc/17/37/18/569173718.db2.gz JMWNHDPCEFBNFN-INIZCTEOSA-N 0 0 431.920 4.489 40 5 IIBBRN CCC(=O)NC(=S)Nc1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000017098213 569173898 /nfs/dbraw/zinc/17/38/98/569173898.db2.gz JDKIZXRLJPBILV-ONNFQVAWSA-N 0 0 432.889 4.123 40 5 IIBBRN C[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224980650 569208353 /nfs/dbraw/zinc/20/83/53/569208353.db2.gz WDSVCXJKNQATHH-IBGZPJMESA-N 0 0 437.540 4.046 40 5 IIBBRN CCCCC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000009062482 569219657 /nfs/dbraw/zinc/21/96/57/569219657.db2.gz XOHBPAAXLOBWBZ-UHFFFAOYSA-N 0 0 425.470 4.494 40 5 IIBBRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 ZINC000010475583 569224344 /nfs/dbraw/zinc/22/43/44/569224344.db2.gz DXOGPQQNUUMYLM-UHFFFAOYSA-N 0 0 434.861 4.249 40 5 IIBBRN CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 ZINC000008832503 569291048 /nfs/dbraw/zinc/29/10/48/569291048.db2.gz PGQGEYVOOKTFFX-UHFFFAOYSA-N 0 0 448.479 4.166 40 5 IIBBRN Cc1ccc(NCc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2C)cc1Cl ZINC000009059139 569293300 /nfs/dbraw/zinc/29/33/00/569293300.db2.gz ZPJJXKLSSXLDFX-UHFFFAOYSA-N 0 0 446.920 4.028 40 5 IIBBRN Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225497689 569304485 /nfs/dbraw/zinc/30/44/85/569304485.db2.gz WQGVITLTFCLEDV-SFHVURJKSA-N 0 0 443.569 4.078 40 5 IIBBRN CC[C@H](NC(=O)[C@H](CC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)cc1 ZINC000260511963 569307148 /nfs/dbraw/zinc/30/71/48/569307148.db2.gz TXJBAZCQMVBRAB-PMACEKPBSA-N 0 0 447.557 4.024 40 5 IIBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)nnc1-c1ccccc1Cl ZINC000019928255 569332127 /nfs/dbraw/zinc/33/21/27/569332127.db2.gz LRDPTRLZAZVQPM-UHFFFAOYSA-N 0 0 447.904 4.266 40 5 IIBBRN O=C(CN1c2ccc(Cl)cc2-c2ccccc2S1(=O)=O)Nc1cccc([N+](=O)[O-])c1 ZINC000020063313 569332852 /nfs/dbraw/zinc/33/28/52/569332852.db2.gz DUJKCYBBJDRGCJ-UHFFFAOYSA-N 0 0 443.868 4.063 40 5 IIBBRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)CC1 ZINC000021124293 569377091 /nfs/dbraw/zinc/37/70/91/569377091.db2.gz LKZHDIOGQIBVAK-UHFFFAOYSA-N 0 0 444.919 4.195 40 5 IIBBRN Cc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000021595534 569391888 /nfs/dbraw/zinc/39/18/88/569391888.db2.gz PGOUCJLBLICGHQ-UHFFFAOYSA-N 0 0 438.465 4.184 40 5 IIBBRN O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000059418751 569461250 /nfs/dbraw/zinc/46/12/50/569461250.db2.gz MEMZBGHAQFNLRH-YQORSWRPSA-N 0 0 430.847 4.342 40 5 IIBBRN Cc1ccc(C2=N/C(=C\c3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 ZINC000059503052 569461650 /nfs/dbraw/zinc/46/16/50/569461650.db2.gz PLKRIWFIQKSSTN-ZHZULCJRSA-N 0 0 428.400 4.467 40 5 IIBBRN CC(C)CC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000039742351 569481891 /nfs/dbraw/zinc/48/18/91/569481891.db2.gz HUGIXIZONOJNFC-UHFFFAOYSA-N 0 0 425.470 4.350 40 5 IIBBRN