smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000119520885 284161121 /nfs/dbraw/zinc/16/11/21/284161121.db2.gz CNBBNXVJGKSMQO-SNVBAGLBSA-N 0 1 348.668 3.005 10 5 EGBEMN Cc1ccnc(C2CCN(Cc3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000363798418 144367576 /nfs/dbraw/zinc/36/75/76/144367576.db2.gz XLAMPRDPYHFUQO-UHFFFAOYSA-N 0 1 326.400 3.381 10 5 EGBEMN COc1cc(C(=O)Nc2ccc3c(C)[nH]nc3c2)cc([N+](=O)[O-])c1C ZINC000189938840 153107513 /nfs/dbraw/zinc/10/75/13/153107513.db2.gz ZNCOHDZLEDJKDK-UHFFFAOYSA-N 0 1 340.339 3.349 10 5 EGBEMN CCOC(=O)CC1(NCc2c(F)cc([N+](=O)[O-])cc2F)CCCC1 ZINC000352406807 165385736 /nfs/dbraw/zinc/38/57/36/165385736.db2.gz NQHUGDQJIRRKCL-UHFFFAOYSA-N 0 1 342.342 3.229 10 5 EGBEMN C[N@@H+]1CC[C@H](NCc2cc(F)ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000367389687 168219343 /nfs/dbraw/zinc/21/93/43/168219343.db2.gz WOMYRJNSAFZLKP-FUHWJXTLSA-N 0 1 329.375 3.269 10 5 EGBEMN C[C@H]1CC[C@@]2(CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000368080023 168307904 /nfs/dbraw/zinc/30/79/04/168307904.db2.gz XXVHWQPGIVZBIX-APPDUMDISA-N 0 1 328.372 3.123 10 5 EGBEMN CC(C)c1[nH]nc(C(=O)N2CCC[C@]3(CC=CCC3)C2)c1[N+](=O)[O-] ZINC000408391086 276040728 /nfs/dbraw/zinc/04/07/28/276040728.db2.gz ATANQWDMEDFCJM-QGZVFWFLSA-N 0 1 332.404 3.404 10 5 EGBEMN CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339076886 277314379 /nfs/dbraw/zinc/31/43/79/277314379.db2.gz GSWUTABUUMWRAZ-UHFFFAOYSA-N 0 1 330.384 3.074 10 5 EGBEMN C[C@H]1CC[C@H](C)N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000294786447 308256826 /nfs/dbraw/zinc/25/68/26/308256826.db2.gz AOTRBPOKHBFEOM-RYUDHWBXSA-N 0 1 328.372 3.246 10 5 EGBEMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)n[nH]1 ZINC000489205541 311095629 /nfs/dbraw/zinc/09/56/29/311095629.db2.gz NBYYHLRLWRMJHC-SFYZADRCSA-N 0 1 337.405 3.087 10 5 EGBEMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000517144639 312365245 /nfs/dbraw/zinc/36/52/45/312365245.db2.gz MYIUSMIYCSKQDJ-VHSSKADRSA-N 0 1 340.379 3.456 10 5 EGBEMN COc1ccc(NC(=O)CN2CCC[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000007587226 453090566 /nfs/dbraw/zinc/09/05/66/453090566.db2.gz MYWXLZRLDVHHSV-CJNGLKHVSA-N 0 1 347.415 3.197 10 5 EGBEMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(Cc2ccccc2)CC1 ZINC000038419306 453940650 /nfs/dbraw/zinc/94/06/50/453940650.db2.gz WDHJIGWXZAXIFG-MRXNPFEDSA-N 0 1 325.412 3.474 10 5 EGBEMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCCN(c2nccs2)CC1 ZINC000068255504 454011756 /nfs/dbraw/zinc/01/17/56/454011756.db2.gz WGFWXHHRWVWDJL-CYBMUJFWSA-N 0 1 332.429 3.325 10 5 EGBEMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC=C(c2ccccc2)CC1 ZINC000045285684 454149935 /nfs/dbraw/zinc/14/99/35/454149935.db2.gz MBTQYPXXNMFIID-UHFFFAOYSA-N 0 1 348.362 3.401 10 5 EGBEMN COc1ccc(CN(C)C(=O)c2c(C)n[nH]c2C(C)C)cc1[N+](=O)[O-] ZINC000095978466 454246906 /nfs/dbraw/zinc/24/69/06/454246906.db2.gz ZFWNRJBCTITBKE-UHFFFAOYSA-N 0 1 346.387 3.031 10 5 EGBEMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)cc1F ZINC000095978081 454247405 /nfs/dbraw/zinc/24/74/05/454247405.db2.gz FYEJUOOVTNZSMO-UHFFFAOYSA-N 0 1 335.316 3.016 10 5 EGBEMN C[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccs1 ZINC000171967690 455104509 /nfs/dbraw/zinc/10/45/09/455104509.db2.gz CLWHOOYYQBPNAD-RISCZKNCSA-N 0 1 331.397 3.112 10 5 EGBEMN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000292296506 455621670 /nfs/dbraw/zinc/62/16/70/455621670.db2.gz MQQMRTLMPPFPGA-INIZCTEOSA-N 0 1 341.358 3.193 10 5 EGBEMN Cc1cc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000248082554 455678614 /nfs/dbraw/zinc/67/86/14/455678614.db2.gz SAZHFAFTOFTTFD-WMZOPIPTSA-N 0 1 339.395 3.078 10 5 EGBEMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](OCc2ccncc2)C1 ZINC000280985892 456100703 /nfs/dbraw/zinc/10/07/03/456100703.db2.gz LLJAZCOPFUPPRX-KDOFPFPSSA-N 0 1 327.384 3.342 10 5 EGBEMN CC[C@@H](O)CN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352769468 456290070 /nfs/dbraw/zinc/29/00/70/456290070.db2.gz MQXWJKGDQQAJDC-QGZVFWFLSA-N 0 1 344.411 3.377 10 5 EGBEMN CSc1ccc(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601148657 460732543 /nfs/dbraw/zinc/73/25/43/460732543.db2.gz GKMSKKYEXXLUAR-OAHLLOKOSA-N 0 1 338.454 3.376 10 5 EGBEMN Cc1ccccc1[C@@]1(F)CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000337725456 456508840 /nfs/dbraw/zinc/50/88/40/456508840.db2.gz SXCNUYLIVVCWHG-GOSISDBHSA-N 0 1 344.342 3.320 10 5 EGBEMN CCOc1ccc([C@@H](C)N[C@@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000282444581 456516091 /nfs/dbraw/zinc/51/60/91/456516091.db2.gz NHLQBKXGXKLGCM-IUODEOHRSA-N 0 1 344.415 3.455 10 5 EGBEMN CO[C@@H](C)CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C(C)C ZINC000353789637 456906925 /nfs/dbraw/zinc/90/69/25/456906925.db2.gz CYHCVMLNNVQLRE-NSHDSACASA-N 0 1 332.347 3.442 10 5 EGBEMN CC(C)(C)C1=CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000357000898 457267266 /nfs/dbraw/zinc/26/72/66/457267266.db2.gz NKZRNLFPVHCWJM-UHFFFAOYSA-N 0 1 331.416 3.003 10 5 EGBEMN Cc1ccn(-c2ccccc2NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000357349813 457466225 /nfs/dbraw/zinc/46/62/25/457466225.db2.gz PIJCBYOMODSXLK-UHFFFAOYSA-N 0 1 338.323 3.047 10 5 EGBEMN O=C(N[C@@H](c1ccccc1)c1ccncc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356369763 457589251 /nfs/dbraw/zinc/58/92/51/457589251.db2.gz VXYSWTVAQPPZEW-SFHVURJKSA-N 0 1 349.346 3.215 10 5 EGBEMN O=C(N[C@H](c1ccccc1)c1ccncc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356369761 457589571 /nfs/dbraw/zinc/58/95/71/457589571.db2.gz VXYSWTVAQPPZEW-GOSISDBHSA-N 0 1 349.346 3.215 10 5 EGBEMN Cc1cccc(Cl)c1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000461114941 458549296 /nfs/dbraw/zinc/54/92/96/458549296.db2.gz UVGPHQPNJWUTJT-UHFFFAOYSA-N 0 1 332.790 3.419 10 5 EGBEMN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)C12CCCC2 ZINC000547799184 458795175 /nfs/dbraw/zinc/79/51/75/458795175.db2.gz UQZWGJVOIPHLGZ-HZPDHXFCSA-N 0 1 348.399 3.110 10 5 EGBEMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1ccc([N+](=O)[O-])cn1 ZINC000532137266 459035678 /nfs/dbraw/zinc/03/56/78/459035678.db2.gz AQKQDVSERUZULA-UHFFFAOYSA-N 0 1 337.339 3.386 10 5 EGBEMN C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1C(=O)[O-] ZINC000567866479 459180974 /nfs/dbraw/zinc/18/09/74/459180974.db2.gz XKPFRYAGJBMEDH-WFASDCNBSA-N 0 1 344.367 3.397 10 5 EGBEMN Cc1ccc([C@H](C)N[C@H]2Cc3ccccc3N(C)C2=O)cc1[N+](=O)[O-] ZINC000595074173 459237560 /nfs/dbraw/zinc/23/75/60/459237560.db2.gz UTIAHRCJRUGPKV-BBRMVZONSA-N 0 1 339.395 3.142 10 5 EGBEMN C[N@H+]1CC[C@H](NCc2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000595477454 459316505 /nfs/dbraw/zinc/31/65/05/459316505.db2.gz SZFQQWMODPCUBF-WMZOPIPTSA-N 0 1 329.375 3.269 10 5 EGBEMN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H](CCF)C3)n2)cc1 ZINC000595755774 459427780 /nfs/dbraw/zinc/42/77/80/459427780.db2.gz QCLBAPIVVCMXTF-GFCCVEGCSA-N 0 1 334.351 3.216 10 5 EGBEMN COc1cc(CN(C)CCOc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000485717090 459466598 /nfs/dbraw/zinc/46/65/98/459466598.db2.gz NTPVESOGSJDUKB-UHFFFAOYSA-N 0 1 330.384 3.423 10 5 EGBEMN COc1cc(CC2CN(Cc3ccc([N+](=O)[O-])cc3)C2)cc(OC)c1 ZINC000486475451 459503641 /nfs/dbraw/zinc/50/36/41/459503641.db2.gz BXHLPSRDVKDOBA-UHFFFAOYSA-N 0 1 342.395 3.287 10 5 EGBEMN CC(C)c1ccc(CN2CC[C@H](Nc3ncccn3)C2)cc1[N+](=O)[O-] ZINC000592516967 459622002 /nfs/dbraw/zinc/62/20/02/459622002.db2.gz LVPFKOACHQIUBT-HNNXBMFYSA-N 0 1 341.415 3.195 10 5 EGBEMN Cc1ccc(CN(CC2CC2)C(=O)c2cc(O)cc([N+](=O)[O-])c2)cn1 ZINC000592831268 459700396 /nfs/dbraw/zinc/70/03/96/459700396.db2.gz MKFHLPWJNWFYFP-UHFFFAOYSA-N 0 1 341.367 3.056 10 5 EGBEMN Cc1cccc([C@@H](C)S(=O)(=O)Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000593202976 459806677 /nfs/dbraw/zinc/80/66/77/459806677.db2.gz BDAJKYRQMAJDSS-GFCCVEGCSA-N 0 1 335.381 3.285 10 5 EGBEMN CC[C@H](c1ccccc1)S(=O)(=O)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593203285 459807628 /nfs/dbraw/zinc/80/76/28/459807628.db2.gz KGPMLPHUMVLXSF-MRXNPFEDSA-N 0 1 335.381 3.367 10 5 EGBEMN Cc1ccc2cc(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)[nH]c2c1 ZINC000597118929 459842898 /nfs/dbraw/zinc/84/28/98/459842898.db2.gz OUXRRVSBFCZVBG-UHFFFAOYSA-N 0 1 339.399 3.418 10 5 EGBEMN C[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCc2ccccc21 ZINC000593856460 460004769 /nfs/dbraw/zinc/00/47/69/460004769.db2.gz XFOXARGIGXLNLV-LBPRGKRZSA-N 0 1 326.352 3.102 10 5 EGBEMN Cc1cnc(C)c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)c1 ZINC000598734263 460011335 /nfs/dbraw/zinc/01/13/35/460011335.db2.gz DUZXEGGTKMQYEZ-UHFFFAOYSA-N 0 1 335.385 3.024 10 5 EGBEMN COc1ccc(CNCc2ccccc2[N+](=O)[O-])cc1OC1CC1 ZINC000598956140 460102676 /nfs/dbraw/zinc/10/26/76/460102676.db2.gz XVUIFHNPQFISDJ-UHFFFAOYSA-N 0 1 328.368 3.434 10 5 EGBEMN Cc1noc([C@H]2OCC[C@H]2NCc2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000599020879 460130139 /nfs/dbraw/zinc/13/01/39/460130139.db2.gz QGLCXDPMQQKEMQ-ZBFHGGJFSA-N 0 1 346.387 3.029 10 5 EGBEMN C[C@@H](NC[C@H](n1cccn1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000599056766 460144430 /nfs/dbraw/zinc/14/44/30/460144430.db2.gz NMKUZNKMALLSBM-MFKMUULPSA-N 0 1 328.294 3.246 10 5 EGBEMN COC(=O)c1cc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000611402655 460356204 /nfs/dbraw/zinc/35/62/04/460356204.db2.gz HWCUFTPLQUJECU-UHFFFAOYSA-N 0 1 332.356 3.308 10 5 EGBEMN COc1cc(CN2CCC(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000611516728 460383925 /nfs/dbraw/zinc/38/39/25/460383925.db2.gz HJQMSUQMCIZJTR-UHFFFAOYSA-N 0 1 327.384 3.378 10 5 EGBEMN C[C@H]1CC[C@@]2(CCN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000611623342 460417523 /nfs/dbraw/zinc/41/75/23/460417523.db2.gz ZAAQCPSCRFPNCA-SCLBCKFNSA-N 0 1 332.400 3.378 10 5 EGBEMN CC(C)(C)c1n[nH]c(SCC(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000600514789 460509625 /nfs/dbraw/zinc/50/96/25/460509625.db2.gz NYLDIUBHUUYXHQ-UHFFFAOYSA-N 0 1 338.364 3.125 10 5 EGBEMN CC(C)(C)c1nc(SCC(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000600514789 460509632 /nfs/dbraw/zinc/50/96/32/460509632.db2.gz NYLDIUBHUUYXHQ-UHFFFAOYSA-N 0 1 338.364 3.125 10 5 EGBEMN CCc1[nH]c(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C(=O)OC ZINC000894193471 1306269728 /nfs/dbraw/zinc/26/97/28/1306269728.db2.gz QFPIEUISQLYAIK-NSHDSACASA-N 0 1 331.372 3.123 10 5 EGBEMN O=C(O[C@@H]1CCN(Cc2ccccc2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000869896653 1330585656 /nfs/dbraw/zinc/58/56/56/1330585656.db2.gz GFVDSDHJQUNKIM-CQSZACIVSA-N 0 1 344.342 3.165 10 5 EGBEMN Cc1ccc(CN2CC[N@H+](C)[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001194143453 1368191283 /nfs/dbraw/zinc/19/12/83/1368191283.db2.gz QBSGSJYJUJXQNL-LJQANCHMSA-N 0 1 339.439 3.262 10 5 EGBEMN Cc1ccc(CN2CCN(C)[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001194143453 1368191284 /nfs/dbraw/zinc/19/12/84/1368191284.db2.gz QBSGSJYJUJXQNL-LJQANCHMSA-N 0 1 339.439 3.262 10 5 EGBEMN CN1CC[C@@H](NCc2c(F)cccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001117627051 1371056908 /nfs/dbraw/zinc/05/69/08/1371056908.db2.gz WJZFMVRHQAJZLK-SJLPKXTDSA-N 0 1 347.365 3.408 10 5 EGBEMN O=C(Nc1ccccc1Oc1cc(F)cc(F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001127096212 1373084343 /nfs/dbraw/zinc/08/43/43/1373084343.db2.gz IBRUNPBLBHBDEH-TZMCWYRMSA-N 0 1 334.278 3.361 10 5 EGBEMN C[C@@]1(Cc2cccc3ccccc32)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001131330417 1373681111 /nfs/dbraw/zinc/68/11/11/1373681111.db2.gz OATUPWRPPXREOB-GGPKGHCWSA-N 0 1 338.407 3.429 10 5 EGBEMN C[C@@H](c1ccco1)N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001136113475 1377348177 /nfs/dbraw/zinc/34/81/77/1377348177.db2.gz LGYGWUMEEODTDW-NSHDSACASA-N 0 1 340.339 3.411 10 5 EGBEMN CCCc1[nH]nc(C(=O)N2CC([C@@H]3CCC[C@@H](C)C3)C2)c1[N+](=O)[O-] ZINC001152400313 1379927513 /nfs/dbraw/zinc/92/75/13/1379927513.db2.gz FTHPWWJBLUZTCG-VXGBXAGGSA-N 0 1 334.420 3.169 10 5 EGBEMN CC[C@H](C)[C@H](C(=O)OC)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001307778538 1384030310 /nfs/dbraw/zinc/03/03/10/1384030310.db2.gz GBJMMNYQIHBTKZ-YSVLISHTSA-N 0 1 334.416 3.362 10 5 EGBEMN C/C=C\C[C@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001307973853 1384066734 /nfs/dbraw/zinc/06/67/34/1384066734.db2.gz JNFBSZWYPILHOU-GWQWAINWSA-N 0 1 343.427 3.162 10 5 EGBEMN CCc1occc1C(=O)NCCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001316822372 1384617284 /nfs/dbraw/zinc/61/72/84/1384617284.db2.gz ZDESECGFXAFORI-UHFFFAOYSA-N 0 1 345.399 3.002 10 5 EGBEMN O=[N+]([O-])c1ccc(CN2C[C@@H]3C[C@H]2CN3Cc2ccccc2)c(F)c1 ZINC001174993791 1385180236 /nfs/dbraw/zinc/18/02/36/1385180236.db2.gz NLCUOYIEPNJCGH-ROUUACIJSA-N 0 1 341.386 3.193 10 5 EGBEMN CC(=O)c1cccc(NC(=O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001176037811 1385468598 /nfs/dbraw/zinc/46/85/98/1385468598.db2.gz XXFWPDQVXUDJSC-LBPRGKRZSA-N 0 1 341.367 3.087 10 5 EGBEMN CC(C)N(CCCNC(=O)C(C)(C)C)Cc1csc([N+](=O)[O-])c1 ZINC001481356603 1393178110 /nfs/dbraw/zinc/17/81/10/1393178110.db2.gz GCKITWCNASHVEZ-UHFFFAOYSA-N 0 1 341.477 3.419 10 5 EGBEMN CCCN(C(=O)CC)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001490608253 1394280909 /nfs/dbraw/zinc/28/09/09/1394280909.db2.gz GACOEENXORINOP-UHFFFAOYSA-N 0 1 333.432 3.208 10 5 EGBEMN CCCC1(C(=O)N(C)CCNCc2ccccc2[N+](=O)[O-])CCC1 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ZINC000596464735 459645895 /nfs/dbraw/zinc/64/58/95/459645895.db2.gz XHWLBLCGWJKKMV-SFHVURJKSA-N 0 1 327.384 3.193 10 5 EGBEMN O=C([O-])C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)CC1CC1 ZINC000593333659 459850743 /nfs/dbraw/zinc/85/07/43/459850743.db2.gz XWKYZKOCMROUDT-UHFFFAOYSA-N 0 1 330.340 3.151 10 5 EGBEMN O=[N+]([O-])c1cnccc1NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000608971989 459896590 /nfs/dbraw/zinc/89/65/90/459896590.db2.gz WVHBOJJDIWFFMV-INIZCTEOSA-N 0 1 346.818 3.314 10 5 EGBEMN Cn1ncc2c1CC(C)(C)CN(C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000597258779 459898596 /nfs/dbraw/zinc/89/85/96/459898596.db2.gz RQVCLQPFWLZYNP-SOFGYWHQSA-N 0 1 340.427 3.426 10 5 EGBEMN Cc1cc(C2CCN(c3nc4c(cc3[N+](=O)[O-])CCCC4)CC2)[nH]n1 ZINC000575041846 459912848 /nfs/dbraw/zinc/91/28/48/459912848.db2.gz LPNKTXAXSHRVOJ-UHFFFAOYSA-N 0 1 341.415 3.284 10 5 EGBEMN CCCc1[nH]nc(C(=O)N2CCCC3(CCCC3)CC2)c1[N+](=O)[O-] ZINC000597955443 460126496 /nfs/dbraw/zinc/12/64/96/460126496.db2.gz PFZGRMQTTUALCL-UHFFFAOYSA-N 0 1 334.420 3.457 10 5 EGBEMN CCC[C@@H](N[C@@H]1CCN(C2CCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000599092077 460159623 /nfs/dbraw/zinc/15/96/23/460159623.db2.gz FBHIXQYUNULPOS-IAGOWNOFSA-N 0 1 331.416 3.179 10 5 EGBEMN Cc1c(NC(=O)[C@H](C)N2CC[C@H]3CC[C@@H](C2)S3)cccc1[N+](=O)[O-] ZINC000599553479 460273797 /nfs/dbraw/zinc/27/37/97/460273797.db2.gz WPFPBYGJQWCPTA-MJBXVCDLSA-N 0 1 349.456 3.200 10 5 EGBEMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCCC2(CC2)CC1 ZINC000599673560 460305270 /nfs/dbraw/zinc/30/52/70/460305270.db2.gz UNYXENGUUHMRNH-ZDUSSCGKSA-N 0 1 347.415 3.197 10 5 EGBEMN CC(C)(CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F ZINC000619747765 460429191 /nfs/dbraw/zinc/42/91/91/460429191.db2.gz URRUGFYDFWFXIR-UHFFFAOYSA-N 0 1 334.294 3.044 10 5 EGBEMN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccc(Cl)o1 ZINC000604478762 460431741 /nfs/dbraw/zinc/43/17/41/460431741.db2.gz JRPWXYAXDZWFOA-SNVBAGLBSA-N 0 1 337.763 3.348 10 5 EGBEMN C[C@H]1CN2CCCC[C@H]2CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000616059651 460461839 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EGBEMN Cc1cccc(C[C@@H](CO)N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872064175 1296710742 /nfs/dbraw/zinc/71/07/42/1296710742.db2.gz CVEOTOCHLAAOPU-ZFWWWQNUSA-N 0 1 332.375 3.297 10 5 EGBEMN C[C@@H](NC[C@@]1(CO)CCc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872082119 1296724585 /nfs/dbraw/zinc/72/45/85/1296724585.db2.gz PSKLOSXNWIMAJG-BFUOFWGJSA-N 0 1 344.386 3.261 10 5 EGBEMN COC(=O)c1cncc([C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000886616125 1303525767 /nfs/dbraw/zinc/52/57/67/1303525767.db2.gz VRCXNQPPWMUFAQ-RYUDHWBXSA-N 0 1 329.356 3.188 10 5 EGBEMN CCc1[nH]c(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1C(=O)OC ZINC000894193469 1306270217 /nfs/dbraw/zinc/27/02/17/1306270217.db2.gz QFPIEUISQLYAIK-LLVKDONJSA-N 0 1 331.372 3.123 10 5 EGBEMN CC1(C)OCC[C@H]1NCc1cc([N+](=O)[O-])ccc1Br ZINC000930605994 1328912020 /nfs/dbraw/zinc/91/20/20/1328912020.db2.gz KEIQMGYCYSQOLG-GFCCVEGCSA-N 0 1 329.194 3.014 10 5 EGBEMN CC(C)[C@@H]1CN(C)CCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859508375 1329003468 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ACKQVSMVWKMFOM-GFCCVEGCSA-N 0 1 343.387 3.188 10 5 EGBEMN Cc1ccc([C@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])o1 ZINC000119509107 152211391 /nfs/dbraw/zinc/21/13/91/152211391.db2.gz RXQUZRDKLGLOMN-VIFPVBQESA-N 0 1 344.776 3.189 10 5 EGBEMN C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000121341124 152344449 /nfs/dbraw/zinc/34/44/49/152344449.db2.gz TYTBEHHKDFPSDD-LLVKDONJSA-N 0 1 349.337 3.187 10 5 EGBEMN C[N@@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000352094368 165232129 /nfs/dbraw/zinc/23/21/29/165232129.db2.gz ZNEWZOCXXRFYSH-ZWKOTPCHSA-N 0 1 329.375 3.269 10 5 EGBEMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCSC[C@H]3CCO)o2)cc1 ZINC000355083966 166102704 /nfs/dbraw/zinc/10/27/04/166102704.db2.gz VEKYKGKSFIOOJX-OAHLLOKOSA-N 0 1 348.424 3.155 10 5 EGBEMN O=C(NCCc1cccc([N+](=O)[O-])c1)c1n[nH]c2ccc(Cl)cc21 ZINC000355551729 166241202 /nfs/dbraw/zinc/24/12/02/166241202.db2.gz JOPSWBMJMNZQGH-UHFFFAOYSA-N 0 1 344.758 3.097 10 5 EGBEMN 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CC(C)N(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H](C)O ZINC000093143384 454688040 /nfs/dbraw/zinc/68/80/40/454688040.db2.gz SWTLROWUAJKDIU-GFCCVEGCSA-N 0 1 335.429 3.310 10 5 EGBEMN O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)[C@H]1CC1[N+](=O)[O-] ZINC000106526808 454698994 /nfs/dbraw/zinc/69/89/94/454698994.db2.gz WXOXFUJXZYCXHB-HDMKZQKVSA-N 0 1 336.347 3.304 10 5 EGBEMN O=[N+]([O-])c1cccc([C@H](O)CN2CCSC[C@@H]2c2ccccc2)c1 ZINC000246223706 455452133 /nfs/dbraw/zinc/45/21/33/455452133.db2.gz DSAJYAYKVBYTBF-QZTJIDSGSA-N 0 1 344.436 3.418 10 5 EGBEMN COc1cc(CN[C@@H](C)c2cccc(NC(C)=O)c2)ccc1[N+](=O)[O-] ZINC000352782337 456302010 /nfs/dbraw/zinc/30/20/10/456302010.db2.gz CWJOKSIXFGDBPA-LBPRGKRZSA-N 0 1 343.383 3.413 10 5 EGBEMN CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccco1 ZINC000299635293 456749505 /nfs/dbraw/zinc/74/95/05/456749505.db2.gz MFXQRVZOOFDJLN-INIZCTEOSA-N 0 1 345.399 3.309 10 5 EGBEMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCCCN1CCOCC1 ZINC000338293578 456751076 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O=[N+]([O-])c1ccc2[nH]c(CNCc3cnc(-c4ccccc4)[nH]3)nc2c1 ZINC000446842697 458236048 /nfs/dbraw/zinc/23/60/48/458236048.db2.gz HHKFOQJNXCFDFH-UHFFFAOYSA-N 0 1 348.366 3.151 10 5 EGBEMN O=[N+]([O-])c1cccc(-c2ccc(CN3CC4(C3)CCCOC4)o2)c1 ZINC000459607600 458427625 /nfs/dbraw/zinc/42/76/25/458427625.db2.gz PFAMOHJIZCEWFG-UHFFFAOYSA-N 0 1 328.368 3.467 10 5 EGBEMN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC(c2cnc[nH]2)CC1 ZINC000377821790 458541533 /nfs/dbraw/zinc/54/15/33/458541533.db2.gz RVUNHGCXTPRMBW-UHFFFAOYSA-N 0 1 349.778 3.383 10 5 EGBEMN COc1cc([N+](=O)[O-])ccc1CN[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000373779865 458601406 /nfs/dbraw/zinc/60/14/06/458601406.db2.gz ZOQARHLZGIFMJI-QFBILLFUSA-N 0 1 342.395 3.471 10 5 EGBEMN C[C@H](CNc1ccnc2c1cccc2[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000594591774 459101034 /nfs/dbraw/zinc/10/10/34/459101034.db2.gz KCIQKXNGFJYNNP-MCIONIFRSA-N 0 1 344.415 3.053 10 5 EGBEMN C[C@@H]1CN(Cc2cccc(Nc3ccc([N+](=O)[O-])nc3)c2)C[C@@H](C)O1 ZINC000558409049 459155297 /nfs/dbraw/zinc/15/52/97/459155297.db2.gz MOOZYKXAYASITM-ZIAGYGMSSA-N 0 1 342.399 3.343 10 5 EGBEMN COc1ccc(CN[C@H](c2ccccc2)[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000594992237 459208903 /nfs/dbraw/zinc/20/89/03/459208903.db2.gz QZSHSWRRKBRTOH-MOPGFXCFSA-N 0 1 344.411 3.451 10 5 EGBEMN COc1ccccc1C[C@H]1CCCN1Cc1onc(C)c1[N+](=O)[O-] ZINC000595296469 459270598 /nfs/dbraw/zinc/27/05/98/459270598.db2.gz DLRYJYHKAXDVEA-CQSZACIVSA-N 0 1 331.372 3.107 10 5 EGBEMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](c2ccccn2)C1 ZINC000595503933 459327478 /nfs/dbraw/zinc/32/74/78/459327478.db2.gz ZEJSYTZPFHAVOM-AWEZNQCLSA-N 0 1 327.384 3.378 10 5 EGBEMN Cc1c(NC(=O)[C@@H](C)N2CCC[C@@H](CCF)C2)cccc1[N+](=O)[O-] ZINC000595755708 459426675 /nfs/dbraw/zinc/42/66/75/459426675.db2.gz OSRJBDMGFUDUPQ-KGLIPLIRSA-N 0 1 337.395 3.302 10 5 EGBEMN Cc1ccc([C@H]2CCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])C2)cc1 ZINC000542436377 459557058 /nfs/dbraw/zinc/55/70/58/459557058.db2.gz KZOMVERCOYCCGL-AWEZNQCLSA-N 0 1 342.399 3.379 10 5 EGBEMN Cn1ccnc1[C@H](N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000592398467 459592198 /nfs/dbraw/zinc/59/21/98/459592198.db2.gz ILXMJIMMQKZMQZ-DNNBLBMLSA-N 0 1 326.400 3.196 10 5 EGBEMN C[C@@H](c1ccccc1)[C@H](O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000562697064 459625636 /nfs/dbraw/zinc/62/56/36/459625636.db2.gz XBXSURACEQRKPN-IFXJQAMLSA-N 0 1 326.396 3.118 10 5 EGBEMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000499255803 459629782 /nfs/dbraw/zinc/62/97/82/459629782.db2.gz ZLOOTIDIBCOAHD-HZPDHXFCSA-N 0 1 336.432 3.222 10 5 EGBEMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000593331166 459847574 /nfs/dbraw/zinc/84/75/74/459847574.db2.gz CZBYQRNAISAIOV-AWEZNQCLSA-N 0 1 348.355 3.158 10 5 EGBEMN O=C([O-])C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC1CC1 ZINC000593333048 459849330 /nfs/dbraw/zinc/84/93/30/459849330.db2.gz QFNUYULWPWBNSE-UHFFFAOYSA-N 0 1 330.340 3.151 10 5 EGBEMN C[C@H]1CN(Cc2cccc(Nc3cccnc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000609964519 460042193 /nfs/dbraw/zinc/04/21/93/460042193.db2.gz OXEGRZXGQZSBMM-KBPBESRZSA-N 0 1 342.399 3.343 10 5 EGBEMN C[C@]12CCCC[C@H]1CN2Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000599674335 460305823 /nfs/dbraw/zinc/30/58/23/460305823.db2.gz CYKSDLXSIPGEDS-GUYCJALGSA-N 0 1 328.372 3.409 10 5 EGBEMN CCOc1ccc([C@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000611552830 460396100 /nfs/dbraw/zinc/39/61/00/460396100.db2.gz GBMCIHRIFOZNOV-NSHDSACASA-N 0 1 330.340 3.190 10 5 EGBEMN CCOc1ccc([C@@H](C)N[C@H]2CCCn3nccc32)cc1[N+](=O)[O-] ZINC000601321888 460788765 /nfs/dbraw/zinc/78/87/65/460788765.db2.gz XZKRPOGHUWBQIW-OCCSQVGLSA-N 0 1 330.388 3.376 10 5 EGBEMN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCOCC2CCC2)c1 ZINC000613175377 460852215 /nfs/dbraw/zinc/85/22/15/460852215.db2.gz QNLCQHMLIZRIRH-UHFFFAOYSA-N 0 1 330.331 3.103 10 5 EGBEMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCO[C@H](C(F)F)CC1 ZINC000601972714 460966794 /nfs/dbraw/zinc/96/67/94/460966794.db2.gz NLCULUPWMDFSCU-LMRWQKIVSA-N 0 1 326.343 3.354 10 5 EGBEMN CC[C@@H](NCC(=O)NCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000181545317 529154425 /nfs/dbraw/zinc/15/44/25/529154425.db2.gz CYYLKJXUENQBIV-OAHLLOKOSA-N 0 1 333.413 3.013 10 5 EGBEMN COc1cc(CN2CC[C@H](Cc3ccncc3)C2)c([N+](=O)[O-])cc1F ZINC000363826976 536766457 /nfs/dbraw/zinc/76/64/57/536766457.db2.gz TYHWTOOPWCUROT-CQSZACIVSA-N 0 1 345.374 3.202 10 5 EGBEMN Cc1ccc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000270116509 547341774 /nfs/dbraw/zinc/34/17/74/547341774.db2.gz NUSLEGOYLGJBHH-ZAMGYDSWSA-N 0 1 332.425 3.491 10 5 EGBEMN CCc1n[nH]c(I)c1-c1ccc([N+](=O)[O-])cc1 ZINC000675075945 564113266 /nfs/dbraw/zinc/11/32/66/564113266.db2.gz HDGKAXXIBPUZBR-UHFFFAOYSA-N 0 1 343.124 3.152 10 5 EGBEMN C[C@H]1CCCC[N@H+]1CCCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000742833822 576796163 /nfs/dbraw/zinc/79/61/63/576796163.db2.gz HGYZEZMRJDYSGJ-LEJCZOIISA-N 0 1 347.415 3.369 10 5 EGBEMN COc1ccccc1OCCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017599 1296657625 /nfs/dbraw/zinc/65/76/25/1296657625.db2.gz CRIHPPQBDPDFGE-GFCCVEGCSA-N 0 1 334.347 3.472 10 5 EGBEMN C[C@H](NCC1(C(=O)N(C)C)CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872033197 1296682418 /nfs/dbraw/zinc/68/24/18/1296682418.db2.gz BRLYZBXEVLRWIR-LBPRGKRZSA-N 0 1 337.395 3.033 10 5 EGBEMN C[C@@H](N[C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000872051665 1296702729 /nfs/dbraw/zinc/70/27/29/1296702729.db2.gz JYNAMMILGIIDOX-IGCXYCKISA-N 0 1 332.375 3.377 10 5 EGBEMN COc1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(F)c1OC ZINC000894679982 1309017039 /nfs/dbraw/zinc/01/70/39/1309017039.db2.gz WVAXYCFPZSWZLC-UHFFFAOYSA-N 0 1 348.374 3.426 10 5 EGBEMN COc1ccc(CN(C)CCc2cccc([N+](=O)[O-])c2)c(F)c1OC ZINC000894679982 1309017049 /nfs/dbraw/zinc/01/70/49/1309017049.db2.gz WVAXYCFPZSWZLC-UHFFFAOYSA-N 0 1 348.374 3.426 10 5 EGBEMN O=C(Oc1cccc2sc(Br)cc21)[C@@H]1CC1[N+](=O)[O-] ZINC000861443216 1329418439 /nfs/dbraw/zinc/41/84/39/1329418439.db2.gz ZZTHLBPJKQOREP-HTRCEHHLSA-N 0 1 342.170 3.234 10 5 EGBEMN CC(C)(C(=O)NCC1(NCc2ccccc2[N+](=O)[O-])CC1)C1CCC1 ZINC001323503029 1387378635 /nfs/dbraw/zinc/37/86/35/1387378635.db2.gz YDKGAVSXCWEVTJ-UHFFFAOYSA-N 0 1 345.443 3.160 10 5 EGBEMN Cc1nc2ccc(CS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2[nH]1 ZINC001188324738 1388290492 /nfs/dbraw/zinc/29/04/92/1388290492.db2.gz PWEVEVFLJLKDJA-UHFFFAOYSA-N 0 1 345.380 3.062 10 5 EGBEMN C[C@@H]1CC[C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)C[C@@H]1C ZINC001160727394 1382180272 /nfs/dbraw/zinc/18/02/72/1382180272.db2.gz NTRAFYVZNMCWNV-NTZNESFSSA-N 0 1 343.387 3.391 10 5 EGBEMN Cc1cc(N2CCN(C)C[C@@H]2Cc2ccccc2)c(F)cc1[N+](=O)[O-] ZINC001163663113 1383098152 /nfs/dbraw/zinc/09/81/52/1383098152.db2.gz TYMUSJCNBQPLFE-INIZCTEOSA-N 0 1 343.402 3.405 10 5 EGBEMN CC[C@H](C)N1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC001297963909 1383311299 /nfs/dbraw/zinc/31/12/99/1383311299.db2.gz XVWLOBPVWWQDPS-AWEZNQCLSA-N 0 1 347.459 3.449 10 5 EGBEMN CC(C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001303080348 1383782456 /nfs/dbraw/zinc/78/24/56/1383782456.db2.gz SOEBCBBRGDUVQO-UHFFFAOYSA-N 0 1 342.277 3.002 10 5 EGBEMN Cc1cc(Cl)c(C(=O)Nc2ccc3cncn3c2)cc1[N+](=O)[O-] ZINC001304167590 1383837151 /nfs/dbraw/zinc/83/71/51/1383837151.db2.gz VBRWDCIGGITRTK-UHFFFAOYSA-N 0 1 330.731 3.457 10 5 EGBEMN C[C@@H](c1ccccc1)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001308037975 1384077908 /nfs/dbraw/zinc/07/79/08/1384077908.db2.gz AVAABESOZHHBJC-INIZCTEOSA-N 0 1 325.412 3.474 10 5 EGBEMN CCC1(C(=O)NC/C=C/CNCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001699328293 1412641714 /nfs/dbraw/zinc/64/17/14/1412641714.db2.gz NBCUWDKSWVUUAK-AATRIKPKSA-N 0 1 345.443 3.327 10 5 EGBEMN O=C(CCC1CCCC1)NCC1(NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001723490283 1424439221 /nfs/dbraw/zinc/43/92/21/1424439221.db2.gz DARYJNMQXXBVKS-UHFFFAOYSA-N 0 1 345.443 3.304 10 5 EGBEMN CC(C)CC(=O)N(C)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001731344680 1427282450 /nfs/dbraw/zinc/28/24/50/1427282450.db2.gz UTKHAWWYKPHTIZ-UHFFFAOYSA-N 0 1 333.432 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CCN(CCNC(=O)C1CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001731798957 1427957031 /nfs/dbraw/zinc/95/70/31/1427957031.db2.gz URMXTZTWDSPRNP-UHFFFAOYSA-N 0 1 333.432 3.113 10 5 EGBEMN CS[C@H](CO)[C@@H](C)N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305807797 295663364 /nfs/dbraw/zinc/66/33/64/295663364.db2.gz GVMGTTQSRAHUTJ-XWIAVFTESA-N 0 1 346.452 3.386 10 5 EGBEMN Cc1ccnc(Nc2[nH]cnc(=NNc3ccccc3)c2[N+](=O)[O-])c1 ZINC000040588220 213354976 /nfs/dbraw/zinc/35/49/76/213354976.db2.gz PIOHTKVVJUJQOS-UHFFFAOYSA-N 0 1 337.343 3.271 10 5 EGBEMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000191348330 239057886 /nfs/dbraw/zinc/05/78/86/239057886.db2.gz WIVCRXQZPZPWHZ-CYBMUJFWSA-N 0 1 344.375 3.089 10 5 EGBEMN O=[N+]([O-])c1cc(Br)ccc1N1CCN2CCCC[C@@H]2C1 ZINC000112209035 285083241 /nfs/dbraw/zinc/08/32/41/285083241.db2.gz CQMOEYIUDGXCIC-GFCCVEGCSA-N 0 1 340.221 3.032 10 5 EGBEMN O=[N+]([O-])c1cnccc1N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000357029984 285187895 /nfs/dbraw/zinc/18/78/95/285187895.db2.gz BABKJFXMDHZWNM-UHFFFAOYSA-N 0 1 346.818 3.356 10 5 EGBEMN Cc1nc([C@H](C)NC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n[nH]1 ZINC000351930257 144321056 /nfs/dbraw/zinc/32/10/56/144321056.db2.gz DUUCXSRYADKTLA-VIFPVBQESA-N 0 1 346.391 3.202 10 5 EGBEMN COc1ccc(OC)c([C@@H](C)NCc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000339063796 286343548 /nfs/dbraw/zinc/34/35/48/286343548.db2.gz GAHQDQLTDCSGJW-LLVKDONJSA-N 0 1 332.356 3.168 10 5 EGBEMN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CC=CCC1 ZINC000344030556 164086335 /nfs/dbraw/zinc/08/63/35/164086335.db2.gz BVTJKHUIEOEFFJ-CYBMUJFWSA-N 0 1 328.372 3.433 10 5 EGBEMN Cc1sc(C(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)cc1[N+](=O)[O-] ZINC000344344013 164160895 /nfs/dbraw/zinc/16/08/95/164160895.db2.gz LSDNXCDGSQCXMR-UHFFFAOYSA-N 0 1 347.331 3.141 10 5 EGBEMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000359553029 167190773 /nfs/dbraw/zinc/19/07/73/167190773.db2.gz GXMWHPZWIQVOIK-SCLBCKFNSA-N 0 1 331.416 3.354 10 5 EGBEMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359567092 167196742 /nfs/dbraw/zinc/19/67/42/167196742.db2.gz WKNWDJVETLCTDM-QWQRMKEZSA-N 0 1 331.416 3.434 10 5 EGBEMN COCC[C@@H]1CCCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000365792429 168044434 /nfs/dbraw/zinc/04/44/34/168044434.db2.gz CCSPGJBXTWQQBD-ZDUSSCGKSA-N 0 1 337.376 3.142 10 5 EGBEMN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000366812323 168144172 /nfs/dbraw/zinc/14/41/72/168144172.db2.gz UGGJYOJOEXLADJ-RLFYNMQTSA-N 0 1 334.416 3.062 10 5 EGBEMN COc1cc(C(=O)Nc2nc3ccc(C)cc3[nH]2)cc([N+](=O)[O-])c1C ZINC000344461404 274091837 /nfs/dbraw/zinc/09/18/37/274091837.db2.gz MRAHZLIZUKZEAM-UHFFFAOYSA-N 0 1 340.339 3.349 10 5 EGBEMN C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCC(=O)N2 ZINC000285903188 275925222 /nfs/dbraw/zinc/92/52/22/275925222.db2.gz BKKSVVMVQDWUDK-VXGBXAGGSA-N 0 1 341.367 3.338 10 5 EGBEMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)c1[N+](=O)[O-] ZINC000360886277 276040480 /nfs/dbraw/zinc/04/04/80/276040480.db2.gz XJZNCJYYMSQXRK-RKDXNWHRSA-N 0 1 348.325 3.244 10 5 EGBEMN CN1CC[C@@H](NCc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000289459004 276342347 /nfs/dbraw/zinc/34/23/47/276342347.db2.gz VSHVIACDZVNEIH-MSOLQXFVSA-N 0 1 347.365 3.408 10 5 EGBEMN Cc1cccc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000248085140 281194658 /nfs/dbraw/zinc/19/46/58/281194658.db2.gz SQNVVKFZMJQBFL-AEFFLSMTSA-N 0 1 339.395 3.078 10 5 EGBEMN CCN(CC)c1ccc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000293655504 308150080 /nfs/dbraw/zinc/15/00/80/308150080.db2.gz IUKQBSJLKSMWJB-CYBMUJFWSA-N 0 1 343.431 3.269 10 5 EGBEMN CC(C)c1ccc(CN2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000449674594 310080019 /nfs/dbraw/zinc/08/00/19/310080019.db2.gz VQWVGKJFXRBBCI-DOMZBBRYSA-N 0 1 346.349 3.463 10 5 EGBEMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451883885 310201604 /nfs/dbraw/zinc/20/16/04/310201604.db2.gz FRXXTLSQQFRLQK-MISXGVKJSA-N 0 1 332.322 3.209 10 5 EGBEMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451883885 310201605 /nfs/dbraw/zinc/20/16/05/310201605.db2.gz FRXXTLSQQFRLQK-MISXGVKJSA-N 0 1 332.322 3.209 10 5 EGBEMN O=[N+]([O-])c1ccc(-c2ccc(CN3CC4(C3)CCCOC4)o2)cc1 ZINC000459603631 310564039 /nfs/dbraw/zinc/56/40/39/310564039.db2.gz IERJXDLHZLJUSM-UHFFFAOYSA-N 0 1 328.368 3.467 10 5 EGBEMN C[C@@H](C(=O)Nc1nc2ccc(F)cc2[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000488898197 311084111 /nfs/dbraw/zinc/08/41/11/311084111.db2.gz MINFBBSKWSDRNQ-MRVPVSSYSA-N 0 1 346.293 3.492 10 5 EGBEMN O=C(Nc1ccccc1)C1(NC/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000495176912 311540351 /nfs/dbraw/zinc/54/03/51/311540351.db2.gz UMNYXGVEUSDTEJ-VURMDHGXSA-N 0 1 337.379 3.369 10 5 EGBEMN O=C(NCCc1cccc2ccccc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505786474 312034366 /nfs/dbraw/zinc/03/43/66/312034366.db2.gz AQBDPPFNNQRQSN-UHFFFAOYSA-N 0 1 336.347 3.426 10 5 EGBEMN O=[N+]([O-])c1cccc(CN2CCCN(c3ccccc3F)CC2)c1 ZINC000513374755 312208237 /nfs/dbraw/zinc/20/82/37/312208237.db2.gz DBCXEQQEXLMEEM-UHFFFAOYSA-N 0 1 329.375 3.446 10 5 EGBEMN Cc1ccnc([C@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)c1 ZINC000572056716 317284604 /nfs/dbraw/zinc/28/46/04/317284604.db2.gz YNCLXYJHUAJHSB-ZDUSSCGKSA-N 0 1 338.367 3.429 10 5 EGBEMN Cn1cc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000572542229 317353727 /nfs/dbraw/zinc/35/37/27/317353727.db2.gz XNKTWVQVMPTRIM-GFCCVEGCSA-N 0 1 340.305 3.124 10 5 EGBEMN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCCc2[nH]c(=O)ccc21 ZINC000264548872 455234925 /nfs/dbraw/zinc/23/49/25/455234925.db2.gz OLDQDXFTXFAXTG-HNNXBMFYSA-N 0 1 343.383 3.261 10 5 EGBEMN O=[N+]([O-])c1c(Sc2nc(-c3ccccc3)n[nH]2)nc2ccccn21 ZINC000012777381 453402849 /nfs/dbraw/zinc/40/28/49/453402849.db2.gz KBHALXXUABGRNK-UHFFFAOYSA-N 0 1 338.352 3.179 10 5 EGBEMN CNC(=O)c1ccc(CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000067446291 453931224 /nfs/dbraw/zinc/93/12/24/453931224.db2.gz UUKLRBULXMCUIS-CYBMUJFWSA-N 0 1 327.384 3.147 10 5 EGBEMN Cc1[nH]nc(C(=O)N2CCCC[C@H]2CCc2ccccc2)c1[N+](=O)[O-] ZINC000089993915 454257294 /nfs/dbraw/zinc/25/72/94/454257294.db2.gz HZWVXLNZDCKGHB-HNNXBMFYSA-N 0 1 342.399 3.254 10 5 EGBEMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000132066107 454309815 /nfs/dbraw/zinc/30/98/15/454309815.db2.gz XBCYPKBVUKDAFX-HUUCEWRRSA-N 0 1 334.416 3.173 10 5 EGBEMN Cc1nc(C[C@H]2CCCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)no1 ZINC000092813801 454640796 /nfs/dbraw/zinc/64/07/96/454640796.db2.gz YUDOMBKSNHAVFB-SBJJXXPASA-N 0 1 342.399 3.254 10 5 EGBEMN CN(C(=O)CN1CCC[C@]2(CC=CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000114495068 454958272 /nfs/dbraw/zinc/95/82/72/454958272.db2.gz RSRYXYOKZNKCML-LJQANCHMSA-N 0 1 343.427 3.380 10 5 EGBEMN CC(C)(C)OC1CC(N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000128438235 455056077 /nfs/dbraw/zinc/05/60/77/455056077.db2.gz UTDXWYDCXOMCQQ-UHFFFAOYSA-N 0 1 333.432 3.063 10 5 EGBEMN COc1ccc(OCCN[C@H](C)c2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000184181920 455358989 /nfs/dbraw/zinc/35/89/89/455358989.db2.gz KTOFGUIBMGAQQJ-LLVKDONJSA-N 0 1 337.401 3.098 10 5 EGBEMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000268159352 455606316 /nfs/dbraw/zinc/60/63/16/455606316.db2.gz OUUYYCLRUNWAHZ-OAHLLOKOSA-N 0 1 342.399 3.175 10 5 EGBEMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000248517082 455717761 /nfs/dbraw/zinc/71/77/61/455717761.db2.gz HOBZSYNVSWVWOI-COXVUDFISA-N 0 1 348.399 3.081 10 5 EGBEMN O=[N+]([O-])c1cnc(NCCc2nc3ccc(F)cc3[nH]2)c(Cl)c1 ZINC000301557387 456146410 /nfs/dbraw/zinc/14/64/10/456146410.db2.gz SSPLJRQFPUSMRP-UHFFFAOYSA-N 0 1 335.726 3.313 10 5 EGBEMN CCOc1ccc([C@H](C)N[C@@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000282444584 456516244 /nfs/dbraw/zinc/51/62/44/456516244.db2.gz NHLQBKXGXKLGCM-SWLSCSKDSA-N 0 1 344.415 3.455 10 5 EGBEMN CCCCNC(=O)C1([NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])CCCCC1 ZINC000339040626 456911913 /nfs/dbraw/zinc/91/19/13/456911913.db2.gz PWGVCURGCCBTFR-UHFFFAOYSA-N 0 1 349.431 3.009 10 5 EGBEMN C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339044300 456914151 /nfs/dbraw/zinc/91/41/51/456914151.db2.gz QBNBXDQDZVDBTM-KPZWWZAWSA-N 0 1 328.368 3.124 10 5 EGBEMN C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339044300 456914155 /nfs/dbraw/zinc/91/41/55/456914155.db2.gz QBNBXDQDZVDBTM-KPZWWZAWSA-N 0 1 328.368 3.124 10 5 EGBEMN COC(C)(C)CS(=O)(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000331240747 457151936 /nfs/dbraw/zinc/15/19/36/457151936.db2.gz LZUMPVOXSYWOMA-UHFFFAOYSA-N 0 1 344.433 3.059 10 5 EGBEMN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1c1ncccc1[N+](=O)[O-] ZINC000363171371 457245524 /nfs/dbraw/zinc/24/55/24/457245524.db2.gz WVMDNZLLYSXNOB-HNNXBMFYSA-N 0 1 326.400 3.091 10 5 EGBEMN O=C(NCCc1ccccc1[N+](=O)[O-])c1n[nH]c2ccc(Cl)cc21 ZINC000342559275 457366279 /nfs/dbraw/zinc/36/62/79/457366279.db2.gz YGURJIIMIAJENY-UHFFFAOYSA-N 0 1 344.758 3.097 10 5 EGBEMN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000369889978 457446802 /nfs/dbraw/zinc/44/68/02/457446802.db2.gz VSUVVKQQQWCRRC-LBPRGKRZSA-N 0 1 342.399 3.493 10 5 EGBEMN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000375536072 457965092 /nfs/dbraw/zinc/96/50/92/457965092.db2.gz SRXOIVHZBZNCOR-HNNXBMFYSA-N 0 1 343.774 3.246 10 5 EGBEMN Cc1[nH]ncc1C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000375978740 458148775 /nfs/dbraw/zinc/14/87/75/458148775.db2.gz CVKVTGIDRPDIJL-UHFFFAOYSA-N 0 1 348.790 3.300 10 5 EGBEMN CCN(CC)C(=O)[C@@H]1CCCN1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470184453 458622537 /nfs/dbraw/zinc/62/25/37/458622537.db2.gz VSOJEOAPADIEFA-NZHZHZHDSA-N 0 1 345.443 3.331 10 5 EGBEMN CC(C)(C)C1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000530361366 458754541 /nfs/dbraw/zinc/75/45/41/458754541.db2.gz CYBDZYMJNRXDLX-UHFFFAOYSA-N 0 1 345.443 3.242 10 5 EGBEMN CC[C@@H](C)N(C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000439965458 458771297 /nfs/dbraw/zinc/77/12/97/458771297.db2.gz PSXSOGMZCDMJME-LLVKDONJSA-N 0 1 348.428 3.387 10 5 EGBEMN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000590178788 459098575 /nfs/dbraw/zinc/09/85/75/459098575.db2.gz BBSJFNOQIWHXLO-AZFSHXRASA-N 0 1 348.443 3.452 10 5 EGBEMN C[C@H]1CN(Cc2cccc(Nc3ccc([N+](=O)[O-])nc3)c2)C[C@H](C)O1 ZINC000558409045 459155069 /nfs/dbraw/zinc/15/50/69/459155069.db2.gz MOOZYKXAYASITM-KBPBESRZSA-N 0 1 342.399 3.343 10 5 EGBEMN COc1ccc(CN[C@@H](c2ccccc2)[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000594992238 459208892 /nfs/dbraw/zinc/20/88/92/459208892.db2.gz QZSHSWRRKBRTOH-OALUTQOASA-N 0 1 344.411 3.451 10 5 EGBEMN O=[N+]([O-])c1ccc(-c2nc(CN3CCCC[C@H]3C3(O)CC3)co2)cc1 ZINC000590969147 459286566 /nfs/dbraw/zinc/28/65/66/459286566.db2.gz OVGKFYMLMUNJQJ-INIZCTEOSA-N 0 1 343.383 3.129 10 5 EGBEMN CC[C@H](N[C@@H]1C[C@H]2CCCC[C@H]2NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000595423166 459295329 /nfs/dbraw/zinc/29/53/29/459295329.db2.gz 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10 5 EGBEMN CN(Cc1nc2c(s1)CCCC2)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093335953 454703874 /nfs/dbraw/zinc/70/38/74/454703874.db2.gz ITJOQCMZWXYOHP-UHFFFAOYSA-N 0 1 333.413 3.268 10 5 EGBEMN O=[N+]([O-])c1cccc([C@@H](O)CN2CC=C(c3cccs3)CC2)c1 ZINC000137064555 454767221 /nfs/dbraw/zinc/76/72/21/454767221.db2.gz WOSZZIYXSRDMDJ-INIZCTEOSA-N 0 1 330.409 3.479 10 5 EGBEMN Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000183345156 455280052 /nfs/dbraw/zinc/28/00/52/455280052.db2.gz RWUAXAIORHKWHT-IBGZPJMESA-N 0 1 326.396 3.385 10 5 EGBEMN COc1ccc(OCCN[C@@H](C)c2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000184181941 455359135 /nfs/dbraw/zinc/35/91/35/455359135.db2.gz KTOFGUIBMGAQQJ-NSHDSACASA-N 0 1 337.401 3.098 10 5 EGBEMN C[C@H](C[S@](C)=O)N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000184287523 455369192 /nfs/dbraw/zinc/36/91/92/455369192.db2.gz IOVZOVHTCXOLFG-ZZKQDXLVSA-N 0 1 332.425 3.041 10 5 EGBEMN C[C@@](O)(CNCc1cc([N+](=O)[O-])ccc1Cl)c1cccs1 ZINC000265820337 455387835 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ZINC000596250733 459575291 /nfs/dbraw/zinc/57/52/91/459575291.db2.gz TVLXSKAYQVVOPK-UHFFFAOYSA-N 0 1 325.756 3.110 10 5 EGBEMN Cn1ccnc1[C@H](N[C@@H]1CC[C@H]2C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000592398476 459592526 /nfs/dbraw/zinc/59/25/26/459592526.db2.gz ILXMJIMMQKZMQZ-MKVSYHDVSA-N 0 1 326.400 3.196 10 5 EGBEMN CCc1[nH]nc(C(=O)N2CC[C@H]([C@@H]3CCCC3(C)C)C2)c1[N+](=O)[O-] ZINC000592874574 459708258 /nfs/dbraw/zinc/70/82/58/459708258.db2.gz TWOSDWCILAMUKU-RYUDHWBXSA-N 0 1 334.420 3.169 10 5 EGBEMN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C12CCC2 ZINC000598296601 459851673 /nfs/dbraw/zinc/85/16/73/459851673.db2.gz MLFIQLGEARHOMD-HUUCEWRRSA-N 0 1 348.399 3.157 10 5 EGBEMN CC[N@@H+](CCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-])C1CCCCC1 ZINC000593786870 459985681 /nfs/dbraw/zinc/98/56/81/459985681.db2.gz RTRFYPXDIVFFSZ-UHFFFAOYSA-N 0 1 349.431 3.075 10 5 EGBEMN CCC1([NH+]2CCOCC2)CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000599083341 460155032 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Cc1ccc2nc(CNC(=S)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000745180863 576843201 /nfs/dbraw/zinc/84/32/01/576843201.db2.gz QYVJIYFRULQLQR-UHFFFAOYSA-N 0 1 341.396 3.266 10 5 EGBEMN C[C@H](NC1CCN(CC(F)F)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872029989 1296677630 /nfs/dbraw/zinc/67/76/30/1296677630.db2.gz XFQWDDRAITXPHD-JTQLQIEISA-N 0 1 331.338 3.114 10 5 EGBEMN C[C@H](N[C@@H](C)[C@@H](O)Cc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051663 1296702595 /nfs/dbraw/zinc/70/25/95/1296702595.db2.gz JYNAMMILGIIDOX-DCGLDWPTSA-N 0 1 332.375 3.377 10 5 EGBEMN C[C@H](N[C@@H](C)[C@H](O)Cc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051664 1296703224 /nfs/dbraw/zinc/70/32/24/1296703224.db2.gz JYNAMMILGIIDOX-GDZNZVCISA-N 0 1 332.375 3.377 10 5 EGBEMN Cc1cc(N2CCC(N[C@@H](C)c3c(F)cccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000872063899 1296710793 /nfs/dbraw/zinc/71/07/93/1296710793.db2.gz AAUPCOBNLQMIPI-LBPRGKRZSA-N 0 1 347.394 3.085 10 5 EGBEMN Cc1ccccc1C[C@H](CO)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872065248 1296711604 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CNC(=O)C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000360920861 457433416 /nfs/dbraw/zinc/43/34/16/457433416.db2.gz RRSQUYXQGSFISB-WMLDXEAASA-N 0 1 341.411 3.431 10 5 EGBEMN CNC(=O)C[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000360921879 457433815 /nfs/dbraw/zinc/43/38/15/457433815.db2.gz XYOHQFDUJPCTNT-DYVFJYSZSA-N 0 1 327.384 3.123 10 5 EGBEMN CC1(C)CN(CCOc2ccccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000443334141 457749721 /nfs/dbraw/zinc/74/97/21/457749721.db2.gz PXRIAFBNIMGMFD-UHFFFAOYSA-N 0 1 334.416 3.397 10 5 EGBEMN COCCN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCOC1 ZINC000426527360 457849456 /nfs/dbraw/zinc/84/94/56/457849456.db2.gz XZGSUXKDGQEEKU-CQSZACIVSA-N 0 1 346.383 3.092 10 5 EGBEMN CCCN(C[C@H]1CCCCO1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411366335 457866176 /nfs/dbraw/zinc/86/61/76/457866176.db2.gz JHVRAPQMOYNLIM-LSDHHAIUSA-N 0 1 349.431 3.203 10 5 EGBEMN COc1cc(N(C)Cc2cc(C(C)(C)C)[nH]n2)c([N+](=O)[O-])cc1F ZINC000444881254 457991935 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CS[C@H](CO)[C@@H](C)N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305807794 154129848 /nfs/dbraw/zinc/12/98/48/154129848.db2.gz GVMGTTQSRAHUTJ-FSPWUOQZSA-N 0 1 346.452 3.386 10 5 EGBEMN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-c2nnc[nH]2)cc1F ZINC000344290944 164147418 /nfs/dbraw/zinc/14/74/18/164147418.db2.gz NOODNNBGSNJWKQ-UHFFFAOYSA-N 0 1 341.302 3.080 10 5 EGBEMN Cc1[nH]ncc1CNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000347200375 164459679 /nfs/dbraw/zinc/45/96/79/164459679.db2.gz YIQPEJMPCVUIOM-UHFFFAOYSA-N 0 1 331.376 3.246 10 5 EGBEMN CN(C(=O)CN1CCC(C)(C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000352200181 165280529 /nfs/dbraw/zinc/28/05/29/165280529.db2.gz IZJGAYGNLCAIRP-UHFFFAOYSA-N 0 1 331.416 3.070 10 5 EGBEMN Cc1n[nH]c(C(C)C)c1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000359143596 167080326 /nfs/dbraw/zinc/08/03/26/167080326.db2.gz NUEYOSLMDAZVQK-UHFFFAOYSA-N 0 1 330.388 3.064 10 5 EGBEMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359538909 167184541 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3.226 10 5 EGBEMN CC[C@@H](C)c1nc([C@H](C)Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)n[nH]1 ZINC000295144063 308296617 /nfs/dbraw/zinc/29/66/17/308296617.db2.gz ZYRZGNULCINYJA-BDAKNGLRSA-N 0 1 329.364 3.276 10 5 EGBEMN O=[N+]([O-])c1ccc2c(ccnc2N2CCN(Cc3ccccc3)CC2)c1 ZINC000450207148 310108647 /nfs/dbraw/zinc/10/86/47/310108647.db2.gz BPOMKCJCPQCZAB-UHFFFAOYSA-N 0 1 348.406 3.465 10 5 EGBEMN C[C@H]1CC2(CCC2)CN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000451403804 310176264 /nfs/dbraw/zinc/17/62/64/310176264.db2.gz MVFQCQGIVGWYEQ-LBPRGKRZSA-N 0 1 340.383 3.390 10 5 EGBEMN CC[C@@H](NCc1cc(=O)[nH]c(C2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000459383934 310548907 /nfs/dbraw/zinc/54/89/07/310548907.db2.gz HESUQAWTSIYSTO-OAHLLOKOSA-N 0 1 328.372 3.209 10 5 EGBEMN Cc1cc2[nH]ncc2cc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000487715245 311034990 /nfs/dbraw/zinc/03/49/90/311034990.db2.gz BOWINMABDAYVHR-UHFFFAOYSA-N 0 1 346.293 3.239 10 5 EGBEMN CCOc1cc(CN[C@@H](CO)c2sccc2C)ccc1[N+](=O)[O-] ZINC000492898585 311304440 /nfs/dbraw/zinc/30/44/40/311304440.db2.gz YXGJDRGUSTUAND-ZDUSSCGKSA-N 0 1 336.413 3.187 10 5 EGBEMN C[C@@H](NCC(=O)N[C@@H](C)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000537075204 314159686 /nfs/dbraw/zinc/15/96/86/314159686.db2.gz KKBVCUBTVTVLQQ-OLZOCXBDSA-N 0 1 345.374 3.262 10 5 EGBEMN C[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)N1C[C@@H](C)O[C@@H](C)C1 ZINC000025501102 453774631 /nfs/dbraw/zinc/77/46/31/453774631.db2.gz DTORSLMVAAOCQQ-MELADBBJSA-N 0 1 344.415 3.053 10 5 EGBEMN CCCCNC(=O)C1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000029928006 453832811 /nfs/dbraw/zinc/83/28/11/453832811.db2.gz SYYGPKHEIOZLEP-CQSZACIVSA-N 0 1 333.432 3.284 10 5 EGBEMN CC(C)N(CC(F)F)C(=O)c1cnc(-c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000096011262 454263365 /nfs/dbraw/zinc/26/33/65/454263365.db2.gz PSXJQOGQWPHONK-UHFFFAOYSA-N 0 1 338.314 3.101 10 5 EGBEMN O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000072302974 454291813 /nfs/dbraw/zinc/29/18/13/454291813.db2.gz RSSMTSZYEOKSET-CHWSQXEVSA-N 0 1 333.731 3.131 10 5 EGBEMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(OC[C@H]2CCOC2)CC1 ZINC000132066319 454310272 /nfs/dbraw/zinc/31/02/72/454310272.db2.gz XBCYPKBVUKDAFX-GJZGRUSLSA-N 0 1 334.416 3.173 10 5 EGBEMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3sncc3c2)cc1 ZINC000097165702 454420178 /nfs/dbraw/zinc/42/01/78/454420178.db2.gz UUOBCUPPYZBROZ-UHFFFAOYSA-N 0 1 335.366 3.005 10 5 EGBEMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000093048582 454674034 /nfs/dbraw/zinc/67/40/34/454674034.db2.gz UVXODZHTCZHRDE-HNNXBMFYSA-N 0 1 342.351 3.366 10 5 EGBEMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000093048582 454674038 /nfs/dbraw/zinc/67/40/38/454674038.db2.gz UVXODZHTCZHRDE-HNNXBMFYSA-N 0 1 342.351 3.366 10 5 EGBEMN O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000093048582 454674041 /nfs/dbraw/zinc/67/40/41/454674041.db2.gz UVXODZHTCZHRDE-HNNXBMFYSA-N 0 1 342.351 3.366 10 5 EGBEMN C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000113227730 454917868 /nfs/dbraw/zinc/91/78/68/454917868.db2.gz AWZYODFVRNDCLI-UKRRQHHQSA-N 0 1 345.443 3.201 10 5 EGBEMN COc1ccc(-c2ccc(CN(C)C[C@@H]3CCCO3)o2)c([N+](=O)[O-])c1 ZINC000128058144 455021897 /nfs/dbraw/zinc/02/18/97/455021897.db2.gz WNRBDURNZOWNEC-AWEZNQCLSA-N 0 1 346.383 3.474 10 5 EGBEMN Cc1ccc([C@@H](C)NCC(=O)Nc2ccccc2F)cc1[N+](=O)[O-] ZINC000181818140 455385971 /nfs/dbraw/zinc/38/59/71/455385971.db2.gz RIBJSUVTOMIFFJ-GFCCVEGCSA-N 0 1 331.347 3.332 10 5 EGBEMN CC(C)C[C@H](CO)N(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000185350948 455546923 /nfs/dbraw/zinc/54/69/23/455546923.db2.gz DLRIAHWIZACKHA-MRXNPFEDSA-N 0 1 333.388 3.089 10 5 EGBEMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000253426547 455845445 /nfs/dbraw/zinc/84/54/45/455845445.db2.gz HLAKJMHWERAOSC-UHFFFAOYSA-N 0 1 343.387 3.346 10 5 EGBEMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285568164 455871516 /nfs/dbraw/zinc/87/15/16/455871516.db2.gz NNVHWVAJWKBSBY-FZMZJTMJSA-N 0 1 332.322 3.435 10 5 EGBEMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280492702 455982197 /nfs/dbraw/zinc/98/21/97/455982197.db2.gz MKDFDNLNRBQFBC-KBXCAEBGSA-N 0 1 334.416 3.234 10 5 EGBEMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280492702 455982205 /nfs/dbraw/zinc/98/22/05/455982205.db2.gz MKDFDNLNRBQFBC-KBXCAEBGSA-N 0 1 334.416 3.234 10 5 EGBEMN Cc1cc([N+](=O)[O-])ccc1CN1CCN(Cc2ccccc2)CC1 ZINC000349830341 457068566 /nfs/dbraw/zinc/06/85/66/457068566.db2.gz FPGVKYSVCHOXHQ-UHFFFAOYSA-N 0 1 325.412 3.221 10 5 EGBEMN CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1ccc([N+](=O)[O-])cc1C ZINC000349974455 457129118 /nfs/dbraw/zinc/12/91/18/457129118.db2.gz MSJRPUYBSUFYKT-IAGOWNOFSA-N 0 1 333.432 3.125 10 5 EGBEMN CCN(Cc1ccc2c(c1)OCO2)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351977533 457326642 /nfs/dbraw/zinc/32/66/42/457326642.db2.gz ITIKASLZLCLOLA-UHFFFAOYSA-N 0 1 344.367 3.354 10 5 EGBEMN O=C(NCc1ccc(C2CC2)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000360813804 457366397 /nfs/dbraw/zinc/36/63/97/457366397.db2.gz QCQIRHJCKQIRPF-UHFFFAOYSA-N 0 1 336.351 3.279 10 5 EGBEMN COCC[C@H]1CCCCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000342697979 457462118 /nfs/dbraw/zinc/46/21/18/457462118.db2.gz FAVHLTRPEJIPTH-LSDHHAIUSA-N 0 1 349.431 3.060 10 5 EGBEMN Cc1noc(C2(C)CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000374750546 457700803 /nfs/dbraw/zinc/70/08/03/457700803.db2.gz MUEDVAUNQBRLEM-LBPRGKRZSA-N 0 1 330.388 3.401 10 5 EGBEMN CCCN(C[C@H]1CCCCO1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411366333 457865840 /nfs/dbraw/zinc/86/58/40/457865840.db2.gz JHVRAPQMOYNLIM-HUUCEWRRSA-N 0 1 349.431 3.203 10 5 EGBEMN Cc1ccc(C)c(CN(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c1 ZINC000430193590 458418267 /nfs/dbraw/zinc/41/82/67/458418267.db2.gz GRJPUHMAWZQJLC-UHFFFAOYSA-N 0 1 338.367 3.360 10 5 EGBEMN O=C(Nc1ccccc1)C1(NC/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000495176911 458805451 /nfs/dbraw/zinc/80/54/51/458805451.db2.gz UMNYXGVEUSDTEJ-SOFGYWHQSA-N 0 1 337.379 3.369 10 5 EGBEMN Cc1cc([N+](=O)[O-])ccc1CN1CCN(C)C[C@H]1c1ccccc1 ZINC000541769448 459490122 /nfs/dbraw/zinc/49/01/22/459490122.db2.gz XXTYSTYKCDIGAO-IBGZPJMESA-N 0 1 325.412 3.392 10 5 EGBEMN Cc1ccc([C@@H]2CCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])C2)cc1 ZINC000542436378 459557050 /nfs/dbraw/zinc/55/70/50/459557050.db2.gz KZOMVERCOYCCGL-CQSZACIVSA-N 0 1 342.399 3.379 10 5 EGBEMN Cc1cc(NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592971995 459726659 /nfs/dbraw/zinc/72/66/59/459726659.db2.gz FYPTZXFDCLWQES-BETUJISGSA-N 0 1 335.404 3.276 10 5 EGBEMN CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000544106278 459726869 /nfs/dbraw/zinc/72/68/69/459726869.db2.gz DDNMPXTYOWLNSJ-GFCCVEGCSA-N 0 1 337.807 3.475 10 5 EGBEMN CCN(Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593071915 459764002 /nfs/dbraw/zinc/76/40/02/459764002.db2.gz WNSZDKRCTOGWLM-ZDUSSCGKSA-N 0 1 343.221 3.358 10 5 EGBEMN C[C@@H]1CN(CCCNc2ccnc3cc([N+](=O)[O-])ccc32)C[C@@H](C)O1 ZINC000593459104 459895697 /nfs/dbraw/zinc/89/56/97/459895697.db2.gz XGPFFCGANKURQT-ZIAGYGMSSA-N 0 1 344.415 3.054 10 5 EGBEMN CCc1cccc(CNCc2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000593689499 459951602 /nfs/dbraw/zinc/95/16/02/459951602.db2.gz UVFYHQQBCRVGOQ-UHFFFAOYSA-N 0 1 330.384 3.464 10 5 EGBEMN CCN(CCc1ccccc1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589494951 460095505 /nfs/dbraw/zinc/09/55/05/460095505.db2.gz CDIJLNCWJIFTEI-UHFFFAOYSA-N 0 1 342.395 3.446 10 5 EGBEMN CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1CCN(CC)C1 ZINC000598040926 460150933 /nfs/dbraw/zinc/15/09/33/460150933.db2.gz JJKDGBMWYBUTDM-AWEZNQCLSA-N 0 1 347.440 3.366 10 5 EGBEMN Cc1cc([C@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1F ZINC000610831089 460245617 /nfs/dbraw/zinc/24/56/17/460245617.db2.gz ZSWSERGQMGUBAX-LBPRGKRZSA-N 0 1 331.347 3.332 10 5 EGBEMN O=C(CN[C@H](c1ccccn1)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000599573023 460277818 /nfs/dbraw/zinc/27/78/18/460277818.db2.gz DPLPNVMMJJMIOU-SFHVURJKSA-N 0 1 340.383 3.059 10 5 EGBEMN COc1ccc([C@@H]2CC[N@@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C2)cc1F ZINC000599681743 460309418 /nfs/dbraw/zinc/30/94/18/460309418.db2.gz ZUQYASNFLVBVFN-CYBMUJFWSA-N 0 1 346.358 3.438 10 5 EGBEMN CSc1ccc(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC000601150286 460733858 /nfs/dbraw/zinc/73/38/58/460733858.db2.gz UXUNENRSBCHOBR-QGZVFWFLSA-N 0 1 332.425 3.314 10 5 EGBEMN C[C@@H](NC[C@@](C)(O)c1ccc(F)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051331 1296701114 /nfs/dbraw/zinc/70/11/14/1296701114.db2.gz JDLJIQYJDIIQII-PIGZYNQJSA-N 0 1 336.338 3.431 10 5 EGBEMN C[C@@H](N[C@H]1CCN(c2ccccn2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051586 1296703152 /nfs/dbraw/zinc/70/31/52/1296703152.db2.gz LNOCZHVHWYCUCX-OLZOCXBDSA-N 0 1 330.363 3.058 10 5 EGBEMN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1nc2c(s1)COCC2 ZINC000922960616 1322662219 /nfs/dbraw/zinc/66/22/19/1322662219.db2.gz HYCUWGRGNZKGDT-GHXNOFRVSA-N 0 1 345.424 3.317 10 5 EGBEMN CCc1[nH]nc(C(=O)N2CC[C@@H](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000923959271 1322856205 /nfs/dbraw/zinc/85/62/05/1322856205.db2.gz YGYPKFTVRYFKKO-ABAIWWIYSA-N 0 1 328.372 3.104 10 5 EGBEMN Cc1cc(F)cc(C(=O)Nc2nc(C3(C)CC3)ns2)c1[N+](=O)[O-] ZINC000862610095 1329499218 /nfs/dbraw/zinc/49/92/18/1329499218.db2.gz AVDCSCJXZQDSEO-UHFFFAOYSA-N 0 1 336.348 3.198 10 5 EGBEMN COc1c(C)cc(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1C ZINC000865705400 1329731102 /nfs/dbraw/zinc/73/11/02/1329731102.db2.gz PZYUIWBNDYWMCV-LJQANCHMSA-N 0 1 344.411 3.218 10 5 EGBEMN O=[N+]([O-])c1cnc(Sc2nc(-c3ccccc3F)n[nH]2)c(F)c1 ZINC001184739633 1387524755 /nfs/dbraw/zinc/52/47/55/1387524755.db2.gz IUIMDVZBGPUYOA-UHFFFAOYSA-N 0 1 335.295 3.204 10 5 EGBEMN CC(C)c1n[nH]c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC001115947079 1370809728 /nfs/dbraw/zinc/80/97/28/1370809728.db2.gz DNMGHAMHRLVTCM-UHFFFAOYSA-N 0 1 331.357 3.303 10 5 EGBEMN CC(C)c1nc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[nH]1 ZINC001115947079 1370809735 /nfs/dbraw/zinc/80/97/35/1370809735.db2.gz DNMGHAMHRLVTCM-UHFFFAOYSA-N 0 1 331.357 3.303 10 5 EGBEMN Cn1cc(CSCc2cc(O)ccc2[N+](=O)[O-])c(C(F)F)n1 ZINC001326462918 1388199851 /nfs/dbraw/zinc/19/98/51/1388199851.db2.gz YMHPEWHZHNEBRN-UHFFFAOYSA-N 0 1 329.328 3.405 10 5 EGBEMN CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2CC2[N+](=O)[O-])C(C)(C)O1 ZINC001127641321 1373152089 /nfs/dbraw/zinc/15/20/89/1373152089.db2.gz MVSIFLNDGQRAMA-BZUAXINKSA-N 0 1 346.427 3.027 10 5 EGBEMN C[C@@H]1CCC[C@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC001128472372 1373273357 /nfs/dbraw/zinc/27/33/57/1373273357.db2.gz XPUIOQYYKDFIEQ-IJLUTSLNSA-N 0 1 330.388 3.273 10 5 EGBEMN CCC(CC)C(=O)NCC1(NCc2ccccc2[N+](=O)[O-])CCC1 ZINC001326786136 1388310146 /nfs/dbraw/zinc/31/01/46/1388310146.db2.gz QFSHBCKAJSMPME-UHFFFAOYSA-N 0 1 333.432 3.160 10 5 EGBEMN O=[N+]([O-])c1cnc(NCc2ccc3nc[nH]c3c2)c(C(F)(F)F)c1 ZINC001163720779 1383113808 /nfs/dbraw/zinc/11/38/08/1383113808.db2.gz BQANZVXZXYSMNI-UHFFFAOYSA-N 0 1 337.261 3.497 10 5 EGBEMN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(F)c1O ZINC001299041051 1383458805 /nfs/dbraw/zinc/45/88/05/1383458805.db2.gz PBBMDLCJDBUNDW-UHFFFAOYSA-N 0 1 340.307 3.309 10 5 EGBEMN O=C(NCC1CCc2ccccc2CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001167841493 1383756724 /nfs/dbraw/zinc/75/67/24/1383756724.db2.gz ZMTQCXIRFMCLSG-UHFFFAOYSA-N 0 1 340.379 3.225 10 5 EGBEMN Cc1cc(C2CCN(CC[N+](=O)[O-])CC2)ccc1Br ZINC001307704989 1384016854 /nfs/dbraw/zinc/01/68/54/1384016854.db2.gz OGFAXFDPEZEVSP-UHFFFAOYSA-N 0 1 327.222 3.214 10 5 EGBEMN CO[C@H]1CCCC[C@@H]1NCc1c(Br)cccc1[N+](=O)[O-] ZINC001307715620 1384018431 /nfs/dbraw/zinc/01/84/31/1384018431.db2.gz MTYZMJJQOBRVSW-JSGCOSHPSA-N 0 1 343.221 3.405 10 5 EGBEMN O=[N+]([O-])c1cc(F)c(CNC2(CO)CCCCCCC2)c(F)c1 ZINC001308017255 1384075602 /nfs/dbraw/zinc/07/56/02/1384075602.db2.gz KFLGAGVTKOBNQB-UHFFFAOYSA-N 0 1 328.359 3.438 10 5 EGBEMN O=C(c1cccc([N+](=O)[O-])c1)N1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC001170985084 1384423932 /nfs/dbraw/zinc/42/39/32/1384423932.db2.gz QIHVNICBPSVCOK-SFHVURJKSA-N 0 1 348.362 3.106 10 5 EGBEMN COc1cc(CN2CCCSC[C@@H]2C2CC2)c([N+](=O)[O-])cc1F ZINC001176649783 1385646705 /nfs/dbraw/zinc/64/67/05/1385646705.db2.gz LVUIRKQRGAGPAT-OAHLLOKOSA-N 0 1 340.420 3.460 10 5 EGBEMN Cc1sccc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001182599931 1387194600 /nfs/dbraw/zinc/19/46/00/1387194600.db2.gz FTXYCXWMVAXPAC-UHFFFAOYSA-N 0 1 329.341 3.002 10 5 EGBEMN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)[C@@H]2CC[C@H](SC)C2)c1 ZINC001329581094 1389166275 /nfs/dbraw/zinc/16/62/75/1389166275.db2.gz CUGRHCIGQGMMJI-KGLIPLIRSA-N 0 1 338.429 3.097 10 5 EGBEMN CCCCCC(=O)NCC1=CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001333290896 1390277092 /nfs/dbraw/zinc/27/70/92/1390277092.db2.gz KYXDZVIMLFUTSC-UHFFFAOYSA-N 0 1 345.443 3.423 10 5 EGBEMN CCN(CCNCc1csc([N+](=O)[O-])c1)C(=O)CC1CCCC1 ZINC001732763451 1428955640 /nfs/dbraw/zinc/95/56/40/1428955640.db2.gz ILQPUDQLEDTEBA-UHFFFAOYSA-N 0 1 339.461 3.175 10 5 EGBEMN CCN(CCCNC(=O)c1cccs1)Cc1ccccc1[N+](=O)[O-] ZINC001707439382 1417343736 /nfs/dbraw/zinc/34/37/36/1417343736.db2.gz PDHQZYSENOAABJ-UHFFFAOYSA-N 0 1 347.440 3.298 10 5 EGBEMN CCc1ccccc1C(=O)N(C)CCNCc1csc([N+](=O)[O-])c1 ZINC001714756635 1419496066 /nfs/dbraw/zinc/49/60/66/1419496066.db2.gz WDIMWKUHISTJEF-UHFFFAOYSA-N 0 1 347.440 3.081 10 5 EGBEMN C[C@H]1CC[C@H](C(=O)NCC2(NCc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001716698377 1420850916 /nfs/dbraw/zinc/85/09/16/1420850916.db2.gz BUWWALCBZBRDDM-KOMQPUFPSA-N 0 1 345.443 3.160 10 5 EGBEMN C=C/C(C)=C\CC(=O)NCC1(NCc2ccccc2[N+](=O)[O-])CCC1 ZINC001717156480 1421145897 /nfs/dbraw/zinc/14/58/97/1421145897.db2.gz ZNRXERLJPGYMNS-DHDCSXOGSA-N 0 1 343.427 3.246 10 5 EGBEMN CN(CCCN(C)C(=O)C1(C2CC2)CC1)Cc1ccccc1[N+](=O)[O-] ZINC001717207749 1421179058 /nfs/dbraw/zinc/17/90/58/1421179058.db2.gz NPWWZHHZHNZDGW-UHFFFAOYSA-N 0 1 345.443 3.065 10 5 EGBEMN CC(C)CC(=O)NCC1(C)CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001724271639 1424766444 /nfs/dbraw/zinc/76/64/44/1424766444.db2.gz MQLDRTODTDIPFJ-UHFFFAOYSA-N 0 1 347.459 3.359 10 5 EGBEMN CCC(C)(C)CC(=O)N[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001731445898 1427423433 /nfs/dbraw/zinc/42/34/33/1427423433.db2.gz FCNXGRHDOXABPB-JOCQHMNTSA-N 0 1 339.461 3.219 10 5 EGBEMN CCCc1[nH]nc(C(=O)N2CCC[C@]3(CC=CCC3)C2)c1[N+](=O)[O-] ZINC000114557770 284099938 /nfs/dbraw/zinc/09/99/38/284099938.db2.gz QOHTZHQJRXTZDD-QGZVFWFLSA-N 0 1 332.404 3.233 10 5 EGBEMN C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000121340960 152344106 /nfs/dbraw/zinc/34/41/06/152344106.db2.gz TYTBEHHKDFPSDD-NSHDSACASA-N 0 1 349.337 3.187 10 5 EGBEMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(N(C)c2cccnn2)CC1 ZINC000105806593 162058051 /nfs/dbraw/zinc/05/80/51/162058051.db2.gz QPOWZMGPUQPFBS-AWEZNQCLSA-N 0 1 341.415 3.047 10 5 EGBEMN COc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000343960090 164073127 /nfs/dbraw/zinc/07/31/27/164073127.db2.gz HTSMDJBEMPLUHC-OCCSQVGLSA-N 0 1 347.415 3.052 10 5 EGBEMN COc1cc(CN(C)CCOc2ccccc2F)ccc1[N+](=O)[O-] ZINC000351970682 165173931 /nfs/dbraw/zinc/17/39/31/165173931.db2.gz HGGKJXIHPPVMCW-UHFFFAOYSA-N 0 1 334.347 3.253 10 5 EGBEMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359567085 167196754 /nfs/dbraw/zinc/19/67/54/167196754.db2.gz WKNWDJVETLCTDM-GLJUWKHASA-N 0 1 331.416 3.434 10 5 EGBEMN C[C@H](CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)[S@](C)=O ZINC000352849322 308885812 /nfs/dbraw/zinc/88/58/12/308885812.db2.gz OMISPJPDBLHKLS-NLWZSEAUSA-N 0 1 346.452 3.431 10 5 EGBEMN Cc1ncccc1OC[C@H]1CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000418140894 309237359 /nfs/dbraw/zinc/23/73/59/309237359.db2.gz KGRXEUFMCQDLID-QGZVFWFLSA-N 0 1 327.384 3.342 10 5 EGBEMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451883883 310201640 /nfs/dbraw/zinc/20/16/40/310201640.db2.gz FRXXTLSQQFRLQK-COPLHBTASA-N 0 1 332.322 3.209 10 5 EGBEMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451883883 310201641 /nfs/dbraw/zinc/20/16/41/310201641.db2.gz FRXXTLSQQFRLQK-COPLHBTASA-N 0 1 332.322 3.209 10 5 EGBEMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@]2(CCOC2)C1 ZINC000451895445 310202416 /nfs/dbraw/zinc/20/24/16/310202416.db2.gz DWVANBMDMJPLHN-GOSISDBHSA-N 0 1 334.416 3.385 10 5 EGBEMN CCCc1[nH]nc(C(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)c1[N+](=O)[O-] ZINC000456112742 310388988 /nfs/dbraw/zinc/38/89/88/310388988.db2.gz GSHQPEXOCPTHNA-BDAKNGLRSA-N 0 1 348.325 3.073 10 5 EGBEMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](c2cc(C)ccn2)C1 ZINC000565174594 316282597 /nfs/dbraw/zinc/28/25/97/316282597.db2.gz SIAWVCBFTDPHJR-CQSZACIVSA-N 0 1 327.384 3.296 10 5 EGBEMN CCc1[nH]nc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000570908596 317124779 /nfs/dbraw/zinc/12/47/79/317124779.db2.gz HIXAVFSRJKBAJA-AWEZNQCLSA-N 0 1 346.362 3.387 10 5 EGBEMN Cc1cc([N+](=O)[O-])ccc1CNC(C)(C)C(=O)NCC1CCCC1 ZINC000183616111 323625823 /nfs/dbraw/zinc/62/58/23/323625823.db2.gz ZHJKLPYIAOHLIQ-UHFFFAOYSA-N 0 1 333.432 3.078 10 5 EGBEMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)c1ccc(F)c(F)c1 ZINC000008248312 453182223 /nfs/dbraw/zinc/18/22/23/453182223.db2.gz JSFQOLCXAYQCFX-LLVKDONJSA-N 0 1 349.337 3.471 10 5 EGBEMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](c2cnn(C)c2)C1 ZINC000116313726 455052293 /nfs/dbraw/zinc/05/22/93/455052293.db2.gz OAKYQQJAFDARJC-CQSZACIVSA-N 0 1 344.415 3.105 10 5 EGBEMN Cc1c(C(=O)NCc2ccc(F)c(CN(C)C)c2)cccc1[N+](=O)[O-] ZINC000265347131 455311222 /nfs/dbraw/zinc/31/12/22/455311222.db2.gz WQBDIFQVANGBLU-UHFFFAOYSA-N 0 1 345.374 3.034 10 5 EGBEMN COc1cc(CN2CCC(Cc3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000352767497 456288928 /nfs/dbraw/zinc/28/89/28/456288928.db2.gz BRNIGHNIWONNOG-UHFFFAOYSA-N 0 1 341.411 3.453 10 5 EGBEMN CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339014228 456901215 /nfs/dbraw/zinc/90/12/15/456901215.db2.gz RFLRYMCAEJHAPV-LJQANCHMSA-N 0 1 344.411 3.320 10 5 EGBEMN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1ccc([N+](=O)[O-])cc1C ZINC000349974460 457129035 /nfs/dbraw/zinc/12/90/35/457129035.db2.gz MSJRPUYBSUFYKT-SJORKVTESA-N 0 1 333.432 3.125 10 5 EGBEMN Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H](C)C2 ZINC000357107205 457325682 /nfs/dbraw/zinc/32/56/82/457325682.db2.gz CFAMENNKFNXXBU-DIFFPNOSSA-N 0 1 326.352 3.272 10 5 EGBEMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000369889849 457447215 /nfs/dbraw/zinc/44/72/15/457447215.db2.gz URGAVWNTSRPDRJ-LLVKDONJSA-N 0 1 328.372 3.185 10 5 EGBEMN C[C@H]1CCN(Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])s1 ZINC000374423325 457623869 /nfs/dbraw/zinc/62/38/69/457623869.db2.gz MTUJRBUZIZLFLV-ZDUSSCGKSA-N 0 1 332.429 3.152 10 5 EGBEMN CO[C@H]1CCCC[C@@H]1N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000441257026 458906465 /nfs/dbraw/zinc/90/64/65/458906465.db2.gz JMQCTPXTBGKAPF-CQDKDKBSSA-N 0 1 346.387 3.253 10 5 EGBEMN CCOc1ccc(NC(=O)CN2C[C@H](C)C[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000475747169 458963783 /nfs/dbraw/zinc/96/37/83/458963783.db2.gz JRZOKUSYFMBLEZ-MGPQQGTHSA-N 0 1 349.431 3.298 10 5 EGBEMN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000590178797 459098007 /nfs/dbraw/zinc/09/80/07/459098007.db2.gz BBSJFNOQIWHXLO-OLQIXAPSSA-N 0 1 348.443 3.452 10 5 EGBEMN CC[C@H](N[C@@H]1Cc2ccccc2N(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595062915 459233124 /nfs/dbraw/zinc/23/31/24/459233124.db2.gz BDJRLURWQYHSBD-DLBZAZTESA-N 0 1 339.395 3.223 10 5 EGBEMN Cc1c([C@@H](C)N[C@H]2Cc3ccccc3N(C)C2=O)cccc1[N+](=O)[O-] ZINC000595072258 459237008 /nfs/dbraw/zinc/23/70/08/459237008.db2.gz QZDDZFVUWATYHB-CJNGLKHVSA-N 0 1 339.395 3.142 10 5 EGBEMN Cn1ccnc1[C@H](NC[C@@H]1CCC[C@H]2C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000595079685 459239435 /nfs/dbraw/zinc/23/94/35/459239435.db2.gz XUFJSXZSLRNMPN-OXXUSNJHSA-N 0 1 340.427 3.444 10 5 EGBEMN CSc1cccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000595376701 459286949 /nfs/dbraw/zinc/28/69/49/459286949.db2.gz SETCZMVCHVZJKL-AWEZNQCLSA-N 0 1 344.440 3.398 10 5 EGBEMN CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCOCC1 ZINC000534344400 459319802 /nfs/dbraw/zinc/31/98/02/459319802.db2.gz BOHOCGHJAIOANC-UHFFFAOYSA-N 0 1 333.413 3.329 10 5 EGBEMN O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CCO[C@@H]3CC3(F)F)C2)cc1 ZINC000595519769 459331697 /nfs/dbraw/zinc/33/16/97/459331697.db2.gz CHIQVCOPRFWZIE-DZGCQCFKSA-N 0 1 326.343 3.198 10 5 EGBEMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@@H]1C1CCC1 ZINC000592198679 459547038 /nfs/dbraw/zinc/54/70/38/459547038.db2.gz PUVXGZZDIGLVBY-MRXNPFEDSA-N 0 1 347.415 3.197 10 5 EGBEMN C[C@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC(F)F ZINC000592392242 459588387 /nfs/dbraw/zinc/58/83/87/459588387.db2.gz KBZMGYGNNZMZNO-NHYWBVRUSA-N 0 1 338.358 3.299 10 5 EGBEMN C[C@@H](c1ccccc1)[C@@H](O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000562697066 459625296 /nfs/dbraw/zinc/62/52/96/459625296.db2.gz XBXSURACEQRKPN-LIRRHRJNSA-N 0 1 326.396 3.118 10 5 EGBEMN CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1CC=CCC1 ZINC000543173104 459630696 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COc1ccc(CN(C)CCc2ccccc2[N+](=O)[O-])c(F)c1OC ZINC000894738898 1309045490 /nfs/dbraw/zinc/04/54/90/1309045490.db2.gz FQBDGAYJKOSZCY-UHFFFAOYSA-N 0 1 348.374 3.426 10 5 EGBEMN O=[N+]([O-])c1ccc(OCCNCc2c(Cl)n[nH]c2C2CC2)cc1 ZINC000921721434 1322385147 /nfs/dbraw/zinc/38/51/47/1322385147.db2.gz IPDRUWXYIZWFJO-UHFFFAOYSA-N 0 1 336.779 3.017 10 5 EGBEMN Cc1ccc(C)c(N2CCN(Cc3cc(O)ccc3[N+](=O)[O-])CC2)c1 ZINC001191519649 1367520388 /nfs/dbraw/zinc/52/03/88/1367520388.db2.gz AIKZHAOXZUWKHF-UHFFFAOYSA-N 0 1 341.411 3.239 10 5 EGBEMN CCc1nc([C@@H](C)OC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)n[nH]1 ZINC001118392255 1371172193 /nfs/dbraw/zinc/17/21/93/1371172193.db2.gz BKMBVFWSXZIACF-LLVKDONJSA-N 0 1 332.360 3.119 10 5 EGBEMN C[C@]1(Cc2cccc3ccccc32)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001131330418 1373681107 /nfs/dbraw/zinc/68/11/07/1373681107.db2.gz OATUPWRPPXREOB-QWFCFKBJSA-N 0 1 338.407 3.429 10 5 EGBEMN CCN(CCNCc1ccccc1[N+](=O)[O-])C(=O)C(F)=C1CCCC1 ZINC001273324679 1378098102 /nfs/dbraw/zinc/09/81/02/1378098102.db2.gz UTYQXGVVABCZDB-UHFFFAOYSA-N 0 1 349.406 3.331 10 5 EGBEMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCN(C2CCCC2)[C@H](C)C1 ZINC001154889466 1380373651 /nfs/dbraw/zinc/37/36/51/1380373651.db2.gz NUOPVCAILCHWFN-GFCCVEGCSA-N 0 1 349.406 3.131 10 5 EGBEMN CCc1ncc(CNc2c(Br)cccc2[N+](=O)[O-])[nH]1 ZINC001164243431 1383170401 /nfs/dbraw/zinc/17/04/01/1383170401.db2.gz OIJNOGATLUETOJ-UHFFFAOYSA-N 0 1 325.166 3.255 10 5 EGBEMN COc1cc(NCCCCc2ccnc(N)c2)c([N+](=O)[O-])cc1OC ZINC001307219517 1383959172 /nfs/dbraw/zinc/95/91/72/1383959172.db2.gz RTQRFRTYYZAIGE-UHFFFAOYSA-N 0 1 346.387 3.024 10 5 EGBEMN O=[N+]([O-])c1ccc(CN[C@]23CCC[C@H]2OCC3)c(Br)c1 ZINC001329702182 1389205013 /nfs/dbraw/zinc/20/50/13/1389205013.db2.gz ADIICMWNUXBPJX-KGLIPLIRSA-N 0 1 341.205 3.159 10 5 EGBEMN Cc1noc2ncc(CNC(C)(C)c3ccc([N+](=O)[O-])cc3)cc12 ZINC001338250744 1389606169 /nfs/dbraw/zinc/60/61/69/1389606169.db2.gz TVMTZNSUXSUSNG-UHFFFAOYSA-N 0 1 326.356 3.464 10 5 EGBEMN Cc1cnc(N[C@H]2CCN(C)[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001341111877 1390441835 /nfs/dbraw/zinc/44/18/35/1390441835.db2.gz NHWSRTCGQHSBOM-HOCLYGCPSA-N 0 1 330.363 3.295 10 5 EGBEMN CCN(CCNC(=O)C=C1CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001480966130 1393053144 /nfs/dbraw/zinc/05/31/44/1393053144.db2.gz XADKJLDXMOHKQE-UHFFFAOYSA-N 0 1 345.443 3.423 10 5 EGBEMN O=C(NC1(CNCc2csc([N+](=O)[O-])c2)CCCC1)c1ccoc1 ZINC001481887739 1394579224 /nfs/dbraw/zinc/57/92/24/1394579224.db2.gz AMUUKPWSHHDIGK-UHFFFAOYSA-N 0 1 349.412 3.082 10 5 EGBEMN O=C(NC/C=C\CNCc1ccccc1[N+](=O)[O-])C1(F)CCCCC1 ZINC001699332081 1412644208 /nfs/dbraw/zinc/64/42/08/1412644208.db2.gz XGGQIJYZUCLOMV-SREVYHEPSA-N 0 1 349.406 3.029 10 5 EGBEMN Cc1cscc1C(=O)NCCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001707370889 1417298835 /nfs/dbraw/zinc/29/88/35/1417298835.db2.gz FMJLKGQEQGAWSV-UHFFFAOYSA-N 0 1 347.440 3.217 10 5 EGBEMN CCN(CCNCc1ccccc1[N+](=O)[O-])C(=O)c1cscc1C ZINC001715726294 1420312995 /nfs/dbraw/zinc/31/29/95/1420312995.db2.gz UHQXPLMHGJQLHW-UHFFFAOYSA-N 0 1 347.440 3.217 10 5 EGBEMN CC(C)CC(C)(C)C(=O)NCC1(NCc2ccccc2[N+](=O)[O-])CC1 ZINC001733261219 1429414786 /nfs/dbraw/zinc/41/47/86/1429414786.db2.gz UULDFIPDVIFSAY-UHFFFAOYSA-N 0 1 347.459 3.406 10 5 EGBEMN CS[C@H](CO)[C@H](C)N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305807795 295665851 /nfs/dbraw/zinc/66/58/51/295665851.db2.gz GVMGTTQSRAHUTJ-MORSLUCNSA-N 0 1 346.452 3.386 10 5 EGBEMN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000265291213 247377371 /nfs/dbraw/zinc/37/73/71/247377371.db2.gz KMRJZMHPMNDYHE-UHFFFAOYSA-N 0 1 345.374 3.034 10 5 EGBEMN Cc1nn(-c2ccncc2)cc1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000346189851 141176192 /nfs/dbraw/zinc/17/61/92/141176192.db2.gz ZTFNBBOTQHIWCK-UHFFFAOYSA-N 0 1 337.383 3.116 10 5 EGBEMN COc1cc(CNCc2ccc(C3CC3)cc2)c([N+](=O)[O-])cc1O ZINC000191684531 153215665 /nfs/dbraw/zinc/21/56/65/153215665.db2.gz UNJFCZAKOFWRSU-UHFFFAOYSA-N 0 1 328.368 3.476 10 5 EGBEMN Cc1cc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)ccn1 ZINC000112496188 162179419 /nfs/dbraw/zinc/17/94/19/162179419.db2.gz NAMMXQKDGZJPFX-UHFFFAOYSA-N 0 1 341.776 3.061 10 5 EGBEMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1[nH]nc2ccc(Cl)cc21 ZINC000352281743 165325360 /nfs/dbraw/zinc/32/53/60/165325360.db2.gz VODCIPLPVDWCKT-UHFFFAOYSA-N 0 1 344.758 3.397 10 5 EGBEMN COc1cc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000360222686 167276221 /nfs/dbraw/zinc/27/62/21/167276221.db2.gz UYDHEJINEDKKPE-MCFWBGNESA-N 0 1 348.424 3.192 10 5 EGBEMN CO[C@@H](C)CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000340850272 274056084 /nfs/dbraw/zinc/05/60/84/274056084.db2.gz OLNBOLKXJYVMJS-ZDUSSCGKSA-N 0 1 333.388 3.495 10 5 EGBEMN O=[N+]([O-])c1cc(CN2CCCN3c4ccccc4C[C@H]3C2)cs1 ZINC000377733837 275033134 /nfs/dbraw/zinc/03/31/34/275033134.db2.gz YUNFCJZVLRCTFC-HNNXBMFYSA-N 0 1 329.425 3.293 10 5 EGBEMN Cc1ccc(S(=O)(=O)Nc2cccc3c2OCCC3)cc1[N+](=O)[O-] ZINC000464533952 310621984 /nfs/dbraw/zinc/62/19/84/310621984.db2.gz JMPVGJHTBWVLGR-UHFFFAOYSA-N 0 1 348.380 3.029 10 5 EGBEMN Cc1cccc(NC[C@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])C2)n1 ZINC000171365614 323231557 /nfs/dbraw/zinc/23/15/57/323231557.db2.gz XQLIAEKNLSQAQL-CYBMUJFWSA-N 0 1 330.363 3.376 10 5 EGBEMN CO[C@H](Cc1ccccc1)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000580992664 325318304 /nfs/dbraw/zinc/31/83/04/325318304.db2.gz MTZYGUYZXYBKDB-QGZVFWFLSA-N 0 1 326.396 3.211 10 5 EGBEMN COc1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)cc1NC(C)=O ZINC000089513356 454158085 /nfs/dbraw/zinc/15/80/85/454158085.db2.gz NPRDEGQGMHXUGV-GFCCVEGCSA-N 0 1 343.383 3.413 10 5 EGBEMN O=[N+]([O-])c1ccc(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)cn1 ZINC000078343416 454236910 /nfs/dbraw/zinc/23/69/10/454236910.db2.gz IYXZWMUCMMVHDG-UHFFFAOYSA-N 0 1 341.293 3.116 10 5 EGBEMN Cc1cnn([C@@H]2CCCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)c1 ZINC000122988893 454590108 /nfs/dbraw/zinc/59/01/08/454590108.db2.gz QJMKQKITKURHMB-BBOMDTFKSA-N 0 1 326.400 3.450 10 5 EGBEMN Cc1cc(N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000074763970 454631351 /nfs/dbraw/zinc/63/13/51/454631351.db2.gz RIHOCNPLDRXEJR-GOEBONIOSA-N 0 1 341.415 3.016 10 5 EGBEMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000093048584 454673777 /nfs/dbraw/zinc/67/37/77/454673777.db2.gz UVXODZHTCZHRDE-OAHLLOKOSA-N 0 1 342.351 3.366 10 5 EGBEMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000093048584 454673783 /nfs/dbraw/zinc/67/37/83/454673783.db2.gz UVXODZHTCZHRDE-OAHLLOKOSA-N 0 1 342.351 3.366 10 5 EGBEMN O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000093048584 454673789 /nfs/dbraw/zinc/67/37/89/454673789.db2.gz UVXODZHTCZHRDE-OAHLLOKOSA-N 0 1 342.351 3.366 10 5 EGBEMN Cc1cc(N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000190451086 455320189 /nfs/dbraw/zinc/32/01/89/455320189.db2.gz SMAQCXOGVFWLJZ-KRWDZBQOSA-N 0 1 340.427 3.257 10 5 EGBEMN CC[C@@H](NCC(=O)Nc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000181551422 455354355 /nfs/dbraw/zinc/35/43/55/455354355.db2.gz UMXBLHDUUKZVNC-QGZVFWFLSA-N 0 1 343.383 3.283 10 5 EGBEMN CC[C@H](NCC(=O)N[C@H]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000245881026 455391397 /nfs/dbraw/zinc/39/13/97/455391397.db2.gz NRIRXVLKENMADS-COXVUDFISA-N 0 1 333.432 3.330 10 5 EGBEMN Cc1[nH]nc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000267342906 455542521 /nfs/dbraw/zinc/54/25/21/455542521.db2.gz GXKVQJDQFTWDQM-ZDUSSCGKSA-N 0 1 332.335 3.133 10 5 EGBEMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(Cc1ccco1)C1CCCC1 ZINC000269307089 455833033 /nfs/dbraw/zinc/83/30/33/455833033.db2.gz XFFHCYZZWYISSG-UHFFFAOYSA-N 0 1 330.340 3.478 10 5 EGBEMN COc1cc(NCCc2nc3ccc(F)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000301715406 456195989 /nfs/dbraw/zinc/19/59/89/456195989.db2.gz JPIUNOFGSZLTBH-UHFFFAOYSA-N 0 1 330.319 3.273 10 5 EGBEMN CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CC[C@H](O)CC1 ZINC000276010710 456369151 /nfs/dbraw/zinc/36/91/51/456369151.db2.gz OLWNEEINOAJRAU-KOMQPUFPSA-N 0 1 347.440 3.454 10 5 EGBEMN Cn1cc2c(n1)CCC[C@@H]2N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000282430627 456512158 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EGBEMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](OCc2ccncc2)C1 ZINC000280985907 456100982 /nfs/dbraw/zinc/10/09/82/456100982.db2.gz LLJAZCOPFUPPRX-KSSFIOAISA-N 0 1 327.384 3.342 10 5 EGBEMN COc1ccc([C@H](C)[NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])c(C)c1OC ZINC000339206013 456992411 /nfs/dbraw/zinc/99/24/11/456992411.db2.gz NPSKOTWUYSWGTM-LBPRGKRZSA-N 0 1 346.383 3.477 10 5 EGBEMN CC(C)c1[nH]nc(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)c1[N+](=O)[O-] ZINC000408396602 457568139 /nfs/dbraw/zinc/56/81/39/457568139.db2.gz QJMVTOVDUXKSEH-MPEURRAXSA-N 0 1 332.404 3.092 10 5 EGBEMN COCCN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCOC1 ZINC000426502535 457844021 /nfs/dbraw/zinc/84/40/21/457844021.db2.gz CFTJTYBRMGTZCC-MRXNPFEDSA-N 0 1 346.383 3.092 10 5 EGBEMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]2COCC[C@@H]21 ZINC000362447540 458183093 /nfs/dbraw/zinc/18/30/93/458183093.db2.gz LIGHGPZDBVGPOQ-PBHICJAKSA-N 0 1 334.416 3.383 10 5 EGBEMN COc1cc([N+](=O)[O-])ccc1CN[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000373779863 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C[C@@]1(CNCc2ccc([N+](=O)[O-])cc2F)COc2ccccc2O1 ZINC000598985372 460117770 /nfs/dbraw/zinc/11/77/70/460117770.db2.gz PIQXSWBQHOYXID-QGZVFWFLSA-N 0 1 332.331 3.054 10 5 EGBEMN O=C(CN[C@@H](c1ccccn1)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000599573022 460277520 /nfs/dbraw/zinc/27/75/20/460277520.db2.gz DPLPNVMMJJMIOU-GOSISDBHSA-N 0 1 340.383 3.059 10 5 EGBEMN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000599697036 460314550 /nfs/dbraw/zinc/31/45/50/460314550.db2.gz SXJBANQJQCIILH-OAHLLOKOSA-N 0 1 332.404 3.042 10 5 EGBEMN O=C(O[C@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000735221504 575618402 /nfs/dbraw/zinc/61/84/02/575618402.db2.gz PQNIVYYZKJIVJY-HNNXBMFYSA-N 0 1 344.342 3.165 10 5 EGBEMN C[C@@H]1CC[C@@H](C)N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000744429726 576827998 /nfs/dbraw/zinc/82/79/98/576827998.db2.gz ZZCIOFBFYFNTDK-GHMZBOCLSA-N 0 1 325.796 3.307 10 5 EGBEMN C[C@H](NC[C@H](CO)Cc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872029419 1296677702 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C[C@@H](NCc1ccc2c(c1)sc(=O)n2C)c1cccc([N+](=O)[O-])c1 ZINC000192485140 323817320 /nfs/dbraw/zinc/81/73/20/323817320.db2.gz BGKWZGKAACZZMO-LLVKDONJSA-N 0 1 343.408 3.359 10 5 EGBEMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000183086264 455225523 /nfs/dbraw/zinc/22/55/23/455225523.db2.gz XYYGWPPMQOFHBM-CYBMUJFWSA-N 0 1 344.375 3.089 10 5 EGBEMN Cc1cc([N+](=O)[O-])ccc1CN1CCCN(c2nccs2)CC1 ZINC000183299452 455273909 /nfs/dbraw/zinc/27/39/09/455273909.db2.gz OPMPRHNMXXSBBW-UHFFFAOYSA-N 0 1 332.429 3.072 10 5 EGBEMN O=c1ccccn1Cc1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000067249186 453914158 /nfs/dbraw/zinc/91/41/58/453914158.db2.gz DURLRNXCFNPYJL-UHFFFAOYSA-N 0 1 349.390 3.095 10 5 EGBEMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc4ccccc4n3)C2)nc1 ZINC000072665332 454325298 /nfs/dbraw/zinc/32/52/98/454325298.db2.gz QKFGKMDIJLAJIH-MRXNPFEDSA-N 0 1 349.394 3.224 10 5 EGBEMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1c1nnc[nH]1 ZINC000121735911 454471004 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O=[N+]([O-])c1cnc(NCC2CN(Cc3ccccc3)C2)c(Cl)c1 ZINC000716220835 1298293520 /nfs/dbraw/zinc/29/35/20/1298293520.db2.gz LROJWONTUGXKGS-UHFFFAOYSA-N 0 1 332.791 3.187 10 5 EGBEMN O=[N+]([O-])c1ccc(CNC[C@@H](O)Cc2ccc(F)cc2)c(Cl)c1 ZINC000886239525 1303409811 /nfs/dbraw/zinc/40/98/11/1303409811.db2.gz YXSBZGPZPDQOGP-HNNXBMFYSA-N 0 1 338.766 3.081 10 5 EGBEMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC2(CCC2)[C@H]1c1cccnc1 ZINC000898414731 1310724389 /nfs/dbraw/zinc/72/43/89/1310724389.db2.gz NVGBSCMENHOFED-MRXNPFEDSA-N 0 1 339.351 3.063 10 5 EGBEMN Cc1ccc([C@H](C)NC[C@]2(C(F)(F)F)CCCN2)cc1[N+](=O)[O-] ZINC000925854990 1325332060 /nfs/dbraw/zinc/33/20/60/1325332060.db2.gz FXDZFKAYBQRWJX-FZMZJTMJSA-N 0 1 331.338 3.238 10 5 EGBEMN C[C@@H](NC[C@H]1CCCN1CC(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000926922864 1327778820 /nfs/dbraw/zinc/77/88/20/1327778820.db2.gz MMCWWCYGBNNTGL-GHMZBOCLSA-N 0 1 349.328 3.411 10 5 EGBEMN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1nn(C)cc1C(F)F ZINC000866567124 1330127639 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345.443 3.256 10 5 EGBEMN Cc1ncc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)s1 ZINC001295382490 1382622758 /nfs/dbraw/zinc/62/27/58/1382622758.db2.gz XZONCJQKGFRMEA-UHFFFAOYSA-N 0 1 329.341 3.002 10 5 EGBEMN Cc1cc(N2CCN(C)C[C@H]2Cc2ccccc2)c(F)cc1[N+](=O)[O-] ZINC001163663114 1383097959 /nfs/dbraw/zinc/09/79/59/1383097959.db2.gz TYMUSJCNBQPLFE-MRXNPFEDSA-N 0 1 343.402 3.405 10 5 EGBEMN CCc1ccncc1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001164658340 1383214677 /nfs/dbraw/zinc/21/46/77/1383214677.db2.gz KJWLLMCASRJLSK-UHFFFAOYSA-N 0 1 337.339 3.195 10 5 EGBEMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC(c2ccc(Cl)cc2)C1 ZINC001306843472 1383910589 /nfs/dbraw/zinc/91/05/89/1383910589.db2.gz NMPQPKKXGCCMQQ-UHFFFAOYSA-N 0 1 332.743 3.193 10 5 EGBEMN Cc1csc([C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC001308057871 1384082040 /nfs/dbraw/zinc/08/20/40/1384082040.db2.gz SQBOPVCYMIAKOV-LBPRGKRZSA-N 0 1 348.384 3.257 10 5 EGBEMN O=C(NCc1ccnc(-c2ccccc2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001170112554 1384238126 /nfs/dbraw/zinc/23/81/26/1384238126.db2.gz QSZFFBHYCLIGMA-UHFFFAOYSA-N 0 1 349.346 3.292 10 5 EGBEMN Cc1ccc(CC2CCN(Cc3cn(C)nc3[N+](=O)[O-])CC2)cc1C ZINC001170827820 1384393507 /nfs/dbraw/zinc/39/35/07/1384393507.db2.gz XWWLPVNFEBWBDH-UHFFFAOYSA-N 0 1 342.443 3.400 10 5 EGBEMN CCN(CCNC(=O)CC1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001317474001 1385169860 /nfs/dbraw/zinc/16/98/60/1385169860.db2.gz DJRKOEHLYFDGGN-UHFFFAOYSA-N 0 1 333.432 3.113 10 5 EGBEMN CC(C(=O)NC[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C1)=C1CCC1 ZINC001479366991 1392226050 /nfs/dbraw/zinc/22/60/50/1392226050.db2.gz ALEGKGJKVUGDIK-NNUKFRKNSA-N 0 1 349.456 3.141 10 5 EGBEMN Cc1coc(C)c1C(=O)N(C)CCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001698987335 1406771841 /nfs/dbraw/zinc/77/18/41/1406771841.db2.gz NMNRPPCPUFXNKU-UHFFFAOYSA-N 0 1 345.399 3.009 10 5 EGBEMN CCCN(CCNC(=O)c1cocc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001691188846 1405126929 /nfs/dbraw/zinc/12/69/29/1405126929.db2.gz IWUVZBAABRYQNY-UHFFFAOYSA-N 0 1 345.399 3.138 10 5 EGBEMN CCN(CCNCc1ccccc1[N+](=O)[O-])C(=O)C1C(C)(C)C1(C)C ZINC001716211095 1420567359 /nfs/dbraw/zinc/56/73/59/1420567359.db2.gz HIIODAFXFUJXPX-UHFFFAOYSA-N 0 1 347.459 3.215 10 5 EGBEMN CN(CCCN(C)C(=O)CC1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001717203788 1421173207 /nfs/dbraw/zinc/17/32/07/1421173207.db2.gz FIWCUMBRXUCKMN-UHFFFAOYSA-N 0 1 347.459 3.455 10 5 EGBEMN CCCCC(=O)N1CCC(N(C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC001717697897 1421571029 /nfs/dbraw/zinc/57/10/29/1421571029.db2.gz IDPYVQBNHROMRS-UHFFFAOYSA-N 0 1 339.461 3.269 10 5 EGBEMN CC(C(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CC1)=C1CCCC1 ZINC001723508044 1424444481 /nfs/dbraw/zinc/44/44/81/1424444481.db2.gz JXPJMEJCUJLDAV-UHFFFAOYSA-N 0 1 343.427 3.224 10 5 EGBEMN C/C(=C\C(=O)N(C)CCCN(C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001724842485 1425191436 /nfs/dbraw/zinc/19/14/36/1425191436.db2.gz CKLCJCMXDDIHEF-FYWRMAATSA-N 0 1 345.443 3.231 10 5 EGBEMN Cc1cccc(Nc2ncnc(-n3cnc4ccccc43)c2[N+](=O)[O-])n1 ZINC000040584911 213355845 /nfs/dbraw/zinc/35/58/45/213355845.db2.gz XLDABRJHOCZWTI-UHFFFAOYSA-N 0 1 347.338 3.171 10 5 EGBEMN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2cccs2)c([N+](=O)[O-])c1 ZINC000172603424 144023445 /nfs/dbraw/zinc/02/34/45/144023445.db2.gz INLQPMSPOOGADF-QWRGUYRKSA-N 0 1 349.412 3.343 10 5 EGBEMN Cn1nccc1[C@H]1CCCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000337286595 154260512 /nfs/dbraw/zinc/26/05/12/154260512.db2.gz KQWJFZICXKGNBL-GOSISDBHSA-N 0 1 344.415 3.324 10 5 EGBEMN O=C(NC[C@@H]1C[C@@H]1c1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111052328 162143849 /nfs/dbraw/zinc/14/38/49/162143849.db2.gz ABYSPACUZUHAHL-GXTWGEPZSA-N 0 1 336.351 3.005 10 5 EGBEMN CC1(C2CC2)CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000359460582 167162719 /nfs/dbraw/zinc/16/27/19/167162719.db2.gz NORRZVSWYWASPN-UHFFFAOYSA-N 0 1 328.372 3.123 10 5 EGBEMN O=[N+]([O-])c1ccc(CN2CC[C@]3(CCOC3)C2)c(C(F)(F)F)c1 ZINC000156824815 275035463 /nfs/dbraw/zinc/03/54/63/275035463.db2.gz AXXZVUGDXINGKE-AWEZNQCLSA-N 0 1 330.306 3.226 10 5 EGBEMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@@H](C2CC2)C1 ZINC000288776160 276251674 /nfs/dbraw/zinc/25/16/74/276251674.db2.gz BKNMLTUBEFCQIK-TZMCWYRMSA-N 0 1 347.415 3.052 10 5 EGBEMN COc1ccccc1[C@H](CNc1cc(F)ccc1[N+](=O)[O-])N(C)C ZINC000302857911 308748255 /nfs/dbraw/zinc/74/82/55/308748255.db2.gz MXKDDCAEWHKROE-INIZCTEOSA-N 0 1 333.363 3.457 10 5 EGBEMN COc1ccc(CNCc2ccnc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000449435706 310061970 /nfs/dbraw/zinc/06/19/70/310061970.db2.gz ALCJRROKPSNBSG-UHFFFAOYSA-N 0 1 341.289 3.307 10 5 EGBEMN CNc1ccc(C(=O)Nc2ccc3c(C)[nH]nc3c2)cc1[N+](=O)[O-] ZINC000535818629 314076932 /nfs/dbraw/zinc/07/69/32/314076932.db2.gz ZEPTZRYSFRASPK-UHFFFAOYSA-N 0 1 325.328 3.074 10 5 EGBEMN COc1ccccc1[C@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000032793598 453891595 /nfs/dbraw/zinc/89/15/95/453891595.db2.gz CRUVNULQEJXSEV-QWHCGFSZSA-N 0 1 343.383 3.281 10 5 EGBEMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(F)c(F)c1 ZINC000044653362 454112142 /nfs/dbraw/zinc/11/21/42/454112142.db2.gz CTMDPNMOLVNDMN-MRVPVSSYSA-N 0 1 346.293 3.240 10 5 EGBEMN COc1cc(C[NH+]2CCC(C(F)(F)F)CC2)cc([N+](=O)[O-])c1[O-] ZINC000095982447 454249195 /nfs/dbraw/zinc/24/91/95/454249195.db2.gz QNNCHNZZBAGBHT-UHFFFAOYSA-N 0 1 334.294 3.083 10 5 EGBEMN CCc1nccn1[C@@H]1CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000105897580 454667564 /nfs/dbraw/zinc/66/75/64/454667564.db2.gz MZHNLBYSWZTTFP-OAHLLOKOSA-N 0 1 344.415 3.199 10 5 EGBEMN CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093687786 454728479 /nfs/dbraw/zinc/72/84/79/454728479.db2.gz LPQRIZHEKDWDMM-MRXNPFEDSA-N 0 1 330.384 3.074 10 5 EGBEMN CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093687786 454728481 /nfs/dbraw/zinc/72/84/81/454728481.db2.gz LPQRIZHEKDWDMM-MRXNPFEDSA-N 0 1 330.384 3.074 10 5 EGBEMN Cc1ccc([C@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])cc1F ZINC000155105104 454964166 /nfs/dbraw/zinc/96/41/66/454964166.db2.gz YXRGMUSNKKICLP-LBPRGKRZSA-N 0 1 331.347 3.332 10 5 EGBEMN Cc1cccc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000180146515 455140092 /nfs/dbraw/zinc/14/00/92/455140092.db2.gz SQNVVKFZMJQBFL-SJLPKXTDSA-N 0 1 339.395 3.078 10 5 EGBEMN CC[C@H](NCC(=O)N1CCCC[C@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000181536096 455351348 /nfs/dbraw/zinc/35/13/48/455351348.db2.gz KBJQMTZRPCATQJ-WBVHZDCISA-N 0 1 333.432 3.427 10 5 EGBEMN CCNC(=O)C[C@@H]1CCCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000284727224 455731875 /nfs/dbraw/zinc/73/18/75/455731875.db2.gz KCZDYEFYVCSSFT-ZDUSSCGKSA-N 0 1 339.823 3.129 10 5 EGBEMN CC(C)Oc1cccc(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000601149525 460732428 /nfs/dbraw/zinc/73/24/28/460732428.db2.gz NPHCSQIKUIHYBB-IBGZPJMESA-N 0 1 344.411 3.379 10 5 EGBEMN CCOc1cc(CN[C@H](COC)c2ccccc2)ccc1[N+](=O)[O-] ZINC000276892421 456612738 /nfs/dbraw/zinc/61/27/38/456612738.db2.gz KIKZRBCKUOPVCW-MRXNPFEDSA-N 0 1 330.384 3.471 10 5 EGBEMN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@H]4COCC[C@H]43)co2)cc1 ZINC000340691994 456629669 /nfs/dbraw/zinc/62/96/69/456629669.db2.gz PHIDOZFMDBQPKR-WMLDXEAASA-N 0 1 343.383 3.251 10 5 EGBEMN C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1c1ncccc1[N+](=O)[O-] ZINC000363171372 457245147 /nfs/dbraw/zinc/24/51/47/457245147.db2.gz WVMDNZLLYSXNOB-OAHLLOKOSA-N 0 1 326.400 3.091 10 5 EGBEMN CC(C)(C)C1=CCN(CCNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000356990420 457261940 /nfs/dbraw/zinc/26/19/40/457261940.db2.gz UXXVDKPFKMUHLF-UHFFFAOYSA-N 0 1 331.416 3.003 10 5 EGBEMN CC[C@@H]1CN(c2ccncc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000361044653 457538289 /nfs/dbraw/zinc/53/82/89/457538289.db2.gz VATMUZPYNXVVCI-MRXNPFEDSA-N 0 1 326.400 3.091 10 5 EGBEMN O=C(CN1CCC2(C1)CCCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000357742473 457675019 /nfs/dbraw/zinc/67/50/19/457675019.db2.gz DFVPPAUZTJBKBG-UHFFFAOYSA-N 0 1 343.427 3.140 10 5 EGBEMN COC(=O)c1cc(NC[C@H]2CCCC[N@H+]2C2CC2)cc(C)c1[N+](=O)[O-] ZINC000433805264 457889405 /nfs/dbraw/zinc/88/94/05/457889405.db2.gz MCNNXZLNAQNNMF-OAHLLOKOSA-N 0 1 347.415 3.119 10 5 EGBEMN CC(C)c1[nH]nc(C(=O)N(Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000433860209 457899850 /nfs/dbraw/zinc/89/98/50/457899850.db2.gz SBUXGJAIRNASKY-UHFFFAOYSA-N 0 1 330.388 3.492 10 5 EGBEMN COc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000594733911 459143737 /nfs/dbraw/zinc/14/37/37/459143737.db2.gz KBVFNOJRIBOIAA-QLFBSQMISA-N 0 1 348.399 3.069 10 5 EGBEMN COc1ccc(CN[C@H](c2ccccc2)[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000594992240 459208656 /nfs/dbraw/zinc/20/86/56/459208656.db2.gz QZSHSWRRKBRTOH-RTBURBONSA-N 0 1 344.411 3.451 10 5 EGBEMN COc1ccnc(CN[C@@H](C)CCc2ccccc2[N+](=O)[O-])c1F ZINC000595079017 459239486 /nfs/dbraw/zinc/23/94/86/459239486.db2.gz CBKMADHFJLCVAG-LBPRGKRZSA-N 0 1 333.363 3.248 10 5 EGBEMN C[C@H]1CCC[C@H](CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000523752185 459328523 /nfs/dbraw/zinc/32/85/23/459328523.db2.gz LPERMJDESOHXTI-NWDGAFQWSA-N 0 1 330.388 3.417 10 5 EGBEMN Cc1ccc([C@@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)cc1 ZINC000541527347 459463125 /nfs/dbraw/zinc/46/31/25/459463125.db2.gz VEJURZDCFSWDEN-CQSZACIVSA-N 0 1 326.352 3.239 10 5 EGBEMN CCO[C@H](C)c1noc(CSCc2cc(O)ccc2[N+](=O)[O-])n1 ZINC000593188674 459801341 /nfs/dbraw/zinc/80/13/41/459801341.db2.gz AMOYWRZZYFCHNL-SECBINFHSA-N 0 1 339.373 3.214 10 5 EGBEMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCC12CCCC2 ZINC000593757843 459976988 /nfs/dbraw/zinc/97/69/88/459976988.db2.gz JLLDLPSMVDLJRG-UHFFFAOYSA-N 0 1 326.356 3.144 10 5 EGBEMN C[C@@]1(c2cccc(F)c2)CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000593762422 459978119 /nfs/dbraw/zinc/97/81/19/459978119.db2.gz VRKPYQGFKNDLAO-GOSISDBHSA-N 0 1 344.342 3.243 10 5 EGBEMN Cc1cccc(CC2CN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])C2)c1 ZINC000610924205 460261137 /nfs/dbraw/zinc/26/11/37/460261137.db2.gz ZCARADPVEDWEEC-UHFFFAOYSA-N 0 1 342.399 3.064 10 5 EGBEMN CCOc1ccc(NC(=O)CN2CCCC3(CC3)CC2)c([N+](=O)[O-])c1 ZINC000599673006 460305700 /nfs/dbraw/zinc/30/57/00/460305700.db2.gz LHRHRZIIDBMVLJ-UHFFFAOYSA-N 0 1 347.415 3.198 10 5 EGBEMN COc1ccc(-c2ccc(CN(C)C[C@H]3CCCO3)o2)c([N+](=O)[O-])c1 ZINC000128058399 536896327 /nfs/dbraw/zinc/89/63/27/536896327.db2.gz WNRBDURNZOWNEC-CQSZACIVSA-N 0 1 346.383 3.474 10 5 EGBEMN Cc1c(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000735221699 575618355 /nfs/dbraw/zinc/61/83/55/575618355.db2.gz VGVBMRKAIXOBLA-INIZCTEOSA-N 0 1 340.379 3.335 10 5 EGBEMN C[C@@H](NC[C@H](O)Cc1cccc(F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872072027 1296718330 /nfs/dbraw/zinc/71/83/30/1296718330.db2.gz CDQQOUYCVOLREL-BXUZGUMPSA-N 0 1 336.338 3.127 10 5 EGBEMN C[C@H](N[C@H]1CCCc2c1ccc(=O)n2C)c1c(F)cccc1[N+](=O)[O-] ZINC000872083316 1296724425 /nfs/dbraw/zinc/72/44/25/1296724425.db2.gz KYMVSVCMGDDIJT-FZMZJTMJSA-N 0 1 345.374 3.161 10 5 EGBEMN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000895842874 1309550799 /nfs/dbraw/zinc/55/07/99/1309550799.db2.gz GGTHPKDNSCMSPU-FZMZJTMJSA-N 0 1 342.342 3.197 10 5 EGBEMN Cc1cc(C[C@H](C)Nc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])[nH]n1 ZINC001185792818 1387801342 /nfs/dbraw/zinc/80/13/42/1387801342.db2.gz IFEBIIUWXJJVLK-VIFPVBQESA-N 0 1 345.790 3.293 10 5 EGBEMN CC(C)(C)C[C@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001195213857 1368402298 /nfs/dbraw/zinc/40/22/98/1368402298.db2.gz KJIMVWOETAKVNJ-CQSZACIVSA-N 0 1 345.443 3.242 10 5 EGBEMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1C[C@@H](C)Cc2cn[nH]c21 ZINC001141707940 1378364631 /nfs/dbraw/zinc/36/46/31/1378364631.db2.gz OWUIMVKAWIWFCJ-ZANVPECISA-N 0 1 328.372 3.239 10 5 EGBEMN CC(C)c1[nH]nc(C(=O)N2COCC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001304134262 1383835814 /nfs/dbraw/zinc/83/58/14/1383835814.db2.gz CSFVGYVFJLDOIY-CYBMUJFWSA-N 0 1 344.371 3.003 10 5 EGBEMN O=[N+]([O-])CCN1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC001169461964 1384150345 /nfs/dbraw/zinc/15/03/45/1384150345.db2.gz MSBQDWJYFKEZJF-UHFFFAOYSA-N 0 1 332.322 3.073 10 5 EGBEMN CC(C)(C)CC(=O)NC[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001316612465 1384482418 /nfs/dbraw/zinc/48/24/18/1384482418.db2.gz AUUXHHZZESWPSJ-BJHJDKERSA-N 0 1 339.461 3.077 10 5 EGBEMN COc1cc(CN2CCCSC[C@H]2C2CC2)c([N+](=O)[O-])cc1F ZINC001176649782 1385646926 /nfs/dbraw/zinc/64/69/26/1385646926.db2.gz LVUIRKQRGAGPAT-HNNXBMFYSA-N 0 1 340.420 3.460 10 5 EGBEMN CCC(C)(C)C(=O)NC[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001479314879 1392211909 /nfs/dbraw/zinc/21/19/09/1392211909.db2.gz PCSKDESEBUZSEA-BJHJDKERSA-N 0 1 339.461 3.077 10 5 EGBEMN CC(C(=O)NCCN(C)Cc1ccc([N+](=O)[O-])cc1)=C1CCCC1 ZINC001480853106 1392983471 /nfs/dbraw/zinc/98/34/71/1392983471.db2.gz CYCBVCQYUNWJDS-UHFFFAOYSA-N 0 1 331.416 3.033 10 5 EGBEMN CN(CCCN(C)C(=O)C1(C)CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001484751768 1395504096 /nfs/dbraw/zinc/50/40/96/1395504096.db2.gz DISLMWDSQFVSDC-UHFFFAOYSA-N 0 1 347.459 3.455 10 5 EGBEMN CCc1ccc(C(=O)NCCN(C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001713475291 1418155428 /nfs/dbraw/zinc/15/54/28/1418155428.db2.gz RNRGNKDPDLVRLR-UHFFFAOYSA-N 0 1 341.411 3.019 10 5 EGBEMN CCN(CCNCc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)C(C)C ZINC001716219108 1420570030 /nfs/dbraw/zinc/57/00/30/1420570030.db2.gz FMXFFKFPYVKBRK-UHFFFAOYSA-N 0 1 335.448 3.215 10 5 EGBEMN CC/C(C)=C\C(=O)NCC1(NCc2csc([N+](=O)[O-])c2)CCC1 ZINC001724783511 1425149170 /nfs/dbraw/zinc/14/91/70/1425149170.db2.gz MVANYHGIKNIECI-GHXNOFRVSA-N 0 1 337.445 3.141 10 5 EGBEMN CCN(CCCNC(=O)C1CC2(CC2)C1)Cc1ccccc1[N+](=O)[O-] ZINC001731317764 1427258835 /nfs/dbraw/zinc/25/88/35/1427258835.db2.gz SDDIOEGXUDWBIJ-UHFFFAOYSA-N 0 1 345.443 3.113 10 5 EGBEMN CC(C(=O)NCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1)=C1CCC1 ZINC001731875945 1428139861 /nfs/dbraw/zinc/13/98/61/1428139861.db2.gz WSPWANJJSDVNAY-UHFFFAOYSA-N 0 1 343.427 3.176 10 5 EGBEMN O=[N+]([O-])c1c(Nc2ccncc2)ncnc1Nc1ccccc1F ZINC000040586361 213355840 /nfs/dbraw/zinc/35/58/40/213355840.db2.gz MHKODHKAIZLRHY-UHFFFAOYSA-N 0 1 326.291 3.406 10 5 EGBEMN CCc1ccccc1NS(=O)(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000020491916 212139179 /nfs/dbraw/zinc/13/91/79/212139179.db2.gz GCVDHBAQABGOID-UHFFFAOYSA-N 0 1 345.380 3.439 10 5 EGBEMN Cc1ccc2nc(NC(=O)CCOc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000344481726 141162556 /nfs/dbraw/zinc/16/25/56/141162556.db2.gz WRMKYLHNCMFHOW-UHFFFAOYSA-N 0 1 340.339 3.187 10 5 EGBEMN COc1ccc(OCCN2CCC[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000173759541 144048469 /nfs/dbraw/zinc/04/84/69/144048469.db2.gz RFDMNAMPTVUTBB-CQSZACIVSA-N 0 1 332.356 3.412 10 5 EGBEMN CC1(C)CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000190979854 153169494 /nfs/dbraw/zinc/16/94/94/153169494.db2.gz PVBCIGRXAQEWAX-INIZCTEOSA-N 0 1 334.416 3.052 10 5 EGBEMN CC1(C)CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000190979875 153170127 /nfs/dbraw/zinc/17/01/27/153170127.db2.gz PVBCIGRXAQEWAX-MRXNPFEDSA-N 0 1 334.416 3.052 10 5 EGBEMN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2ncsc2c1 ZINC000359037035 167046335 /nfs/dbraw/zinc/04/63/35/167046335.db2.gz QAYPLWXPYAWMBV-UHFFFAOYSA-N 0 1 349.393 3.314 10 5 EGBEMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000359554691 167190357 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CN(C[C@@H]1CC=CCC1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000450817243 310144017 /nfs/dbraw/zinc/14/40/17/310144017.db2.gz XMJMLGLHXBRIBE-CYBMUJFWSA-N 0 1 340.383 3.413 10 5 EGBEMN CC[C@@H]1[C@@H](CO)CCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000451272914 310169277 /nfs/dbraw/zinc/16/92/77/310169277.db2.gz VKGSWQMMNJQWSV-QMTHXVAHSA-N 0 1 332.322 3.206 10 5 EGBEMN CCNC(=O)C[C@H]1CCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000551724713 315165608 /nfs/dbraw/zinc/16/56/08/315165608.db2.gz VIZHOYDBSGWPQA-CQSZACIVSA-N 0 1 339.823 3.129 10 5 EGBEMN CNC(=O)C[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000576087092 324543198 /nfs/dbraw/zinc/54/31/98/324543198.db2.gz WHABZZFZUSTEFX-KDOFPFPSSA-N 0 1 341.411 3.431 10 5 EGBEMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000066562201 453851936 /nfs/dbraw/zinc/85/19/36/453851936.db2.gz AQLNKIGJJIIBSA-HNNXBMFYSA-N 0 1 345.443 3.380 10 5 EGBEMN O=[N+]([O-])c1cccc(CN2CCC(c3nnc4ccccn43)CC2)c1 ZINC000067442531 453931515 /nfs/dbraw/zinc/93/15/15/453931515.db2.gz MHLZAXNHRIDCDD-UHFFFAOYSA-N 0 1 337.383 3.017 10 5 EGBEMN CC[C@@H](NC(=O)N[C@@H](C)Cc1cc(C)[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000124440023 454733238 /nfs/dbraw/zinc/73/32/38/454733238.db2.gz KDZVTJAVNYWRLM-MEDUHNTESA-N 0 1 345.403 3.008 10 5 EGBEMN COc1ccc([N+](=O)[O-])cc1CN1CCC(C2CCOCC2)CC1 ZINC000153456122 454795461 /nfs/dbraw/zinc/79/54/61/454795461.db2.gz XAKHIAQRZRHWBJ-UHFFFAOYSA-N 0 1 334.416 3.242 10 5 EGBEMN Cc1cc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000180117375 455134522 /nfs/dbraw/zinc/13/45/22/455134522.db2.gz BWKCMRNQBBQJRX-ZWKOTPCHSA-N 0 1 339.395 3.078 10 5 EGBEMN Cc1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000180154662 455140831 /nfs/dbraw/zinc/14/08/31/455140831.db2.gz PJEUIEBXSRCTIV-FUHWJXTLSA-N 0 1 339.395 3.078 10 5 EGBEMN CC(C)c1ccc(C(=O)Nc2nc(C3CCC3)n[nH]2)cc1[N+](=O)[O-] ZINC000190715408 455372897 /nfs/dbraw/zinc/37/28/97/455372897.db2.gz VMCIHUKSRRILDD-UHFFFAOYSA-N 0 1 329.360 3.356 10 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/nfs/dbraw/zinc/43/32/12/456433212.db2.gz SHHPKOXALYAECL-QLJPJBMISA-N 0 1 336.351 3.134 10 5 EGBEMN CCOc1cc(N2CCCC[C@@H]2c2n[nH]c(C)n2)ccc1[N+](=O)[O-] ZINC000337872813 456580576 /nfs/dbraw/zinc/58/05/76/456580576.db2.gz OQHMDHKRFOBGRG-CQSZACIVSA-N 0 1 331.376 3.152 10 5 EGBEMN C[N@@H+](CCCOCc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339158741 456969918 /nfs/dbraw/zinc/96/99/18/456969918.db2.gz RUDJSQMLHSAXMG-UHFFFAOYSA-N 0 1 330.384 3.339 10 5 EGBEMN CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2C)[C@@H](CC)CN1C(C)=O ZINC000349974451 457129154 /nfs/dbraw/zinc/12/91/54/457129154.db2.gz MSJRPUYBSUFYKT-DLBZAZTESA-N 0 1 333.432 3.125 10 5 EGBEMN Cc1ccc2nc(CNC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000342189117 457157917 /nfs/dbraw/zinc/15/79/17/457157917.db2.gz OKXLDEPHLJAYAA-UHFFFAOYSA-N 0 1 339.355 3.410 10 5 EGBEMN C[C@H](N[C@H](c1cccnc1)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000347333691 457359257 /nfs/dbraw/zinc/35/92/57/457359257.db2.gz CJKJARPKGHKIGA-SJCJKPOMSA-N 0 1 340.383 3.058 10 5 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3.279 10 5 EGBEMN O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000072302972 454292319 /nfs/dbraw/zinc/29/23/19/454292319.db2.gz RSSMTSZYEOKSET-OLZOCXBDSA-N 0 1 333.731 3.131 10 5 EGBEMN Cc1cc(C[C@H](C)Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)[nH]n1 ZINC000092685733 454610931 /nfs/dbraw/zinc/61/09/31/454610931.db2.gz IJGHFWTYUXNSFU-QMMMGPOBSA-N 0 1 326.303 3.271 10 5 EGBEMN COc1ccc(CN(C)CCOc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000051500605 454627776 /nfs/dbraw/zinc/62/77/76/454627776.db2.gz SZSAYQLGJRKZBH-UHFFFAOYSA-N 0 1 330.384 3.423 10 5 EGBEMN Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000180154647 455140666 /nfs/dbraw/zinc/14/06/66/455140666.db2.gz PJEUIEBXSRCTIV-SJLPKXTDSA-N 0 1 339.395 3.078 10 5 EGBEMN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000180171212 455144292 /nfs/dbraw/zinc/14/42/92/455144292.db2.gz HQLVUCFTARCWEL-ZWKOTPCHSA-N 0 1 339.395 3.078 10 5 EGBEMN CCCNC(=O)CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180187651 455146138 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3.178 10 5 EGBEMN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC3(C2)CCOCC3)o1 ZINC000459616265 458429274 /nfs/dbraw/zinc/42/92/74/458429274.db2.gz IJQDVZKBNXDISG-UHFFFAOYSA-N 0 1 328.368 3.467 10 5 EGBEMN COc1ccc(OCCN2CC[C@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000470959456 458670662 /nfs/dbraw/zinc/67/06/62/458670662.db2.gz NUZBYDAOMXGZAG-JQWIXIFHSA-N 0 1 348.321 3.255 10 5 EGBEMN O=[N+]([O-])c1ccc2[nH]c(CN(C[C@@H]3CCCO3)C3CCCC3)nc2c1 ZINC000548180478 458851724 /nfs/dbraw/zinc/85/17/24/458851724.db2.gz SJKYQLWHEQYJCM-HNNXBMFYSA-N 0 1 344.415 3.395 10 5 EGBEMN C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000592977496 459727280 /nfs/dbraw/zinc/72/72/80/459727280.db2.gz NCBBWMNOPROYRL-RDJZCZTQSA-N 0 1 341.367 3.150 10 5 EGBEMN Cc1ccccc1CC1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000610924140 460261607 /nfs/dbraw/zinc/26/16/07/460261607.db2.gz MHBSGWJKHDMVDJ-UHFFFAOYSA-N 0 1 342.399 3.064 10 5 EGBEMN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599625836 460291673 /nfs/dbraw/zinc/29/16/73/460291673.db2.gz PVIFIQFESCIOEH-JBBSTSQOSA-N 0 1 331.372 3.151 10 5 EGBEMN C[C@H]1CN(c2ccccc2F)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000616152326 460484709 /nfs/dbraw/zinc/48/47/09/460484709.db2.gz LMJGXIIMBKLIBK-ZDUSSCGKSA-N 0 1 345.374 3.150 10 5 EGBEMN CCc1[nH]nc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000188146234 535996963 /nfs/dbraw/zinc/99/69/63/535996963.db2.gz BSMWWAITHLJYGA-SECBINFHSA-N 0 1 336.779 3.367 10 5 EGBEMN CC(C)(C)OC(=O)NCC(C)(C)NCc1csc([N+](=O)[O-])c1 ZINC000221046217 547243546 /nfs/dbraw/zinc/24/35/46/547243546.db2.gz VQQKOYROYDCCOZ-UHFFFAOYSA-N 0 1 329.422 3.049 10 5 EGBEMN CC(C)(C)OC(=O)CCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000744450047 576828801 /nfs/dbraw/zinc/82/88/01/576828801.db2.gz JQYDCKDMOIUEBK-UHFFFAOYSA-N 0 1 328.796 3.460 10 5 EGBEMN CC[C@@H](CS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C(C)(C)C)OC ZINC000872007271 1296650131 /nfs/dbraw/zinc/65/01/31/1296650131.db2.gz NHJWRLVKASYLOF-LBPRGKRZSA-N 0 1 344.433 3.059 10 5 EGBEMN Cc1ccc(C[C@H](CO)N[C@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872064282 1296710656 /nfs/dbraw/zinc/71/06/56/1296710656.db2.gz FETCTODEDUTKOW-UKRRQHHQSA-N 0 1 332.375 3.297 10 5 EGBEMN C[C@H](N[C@H](CCO)Cc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872068760 1296715034 /nfs/dbraw/zinc/71/50/34/1296715034.db2.gz IGLXGSSXTKEZOY-DZGCQCFKSA-N 0 1 332.375 3.378 10 5 EGBEMN Cc1noc2ncc(CNC(C)(C)c3ccccc3[N+](=O)[O-])cc12 ZINC000894851267 1309100205 /nfs/dbraw/zinc/10/02/05/1309100205.db2.gz OPYHQPXAGBLXOQ-UHFFFAOYSA-N 0 1 326.356 3.464 10 5 EGBEMN CCc1[nH]nc(C(=O)N2CCC[C@]2(C)c2ccccc2)c1[N+](=O)[O-] ZINC000920981320 1322240846 /nfs/dbraw/zinc/24/08/46/1322240846.db2.gz DIJNVPULHADIDU-QGZVFWFLSA-N 0 1 328.372 3.032 10 5 EGBEMN Cc1[nH]nc(C(=O)N2[C@H](C)C[C@H](c3ccccc3)C2(C)C)c1[N+](=O)[O-] ZINC000922964021 1322663697 /nfs/dbraw/zinc/66/36/97/1322663697.db2.gz CXWJAYVLPSZIDH-BXUZGUMPSA-N 0 1 342.399 3.423 10 5 EGBEMN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1nn(C)cc1C(F)F ZINC000865809233 1329740961 /nfs/dbraw/zinc/74/09/61/1329740961.db2.gz ZMZBCUMFOKGNHW-IZZDOVSWSA-N 0 1 336.342 3.459 10 5 EGBEMN O=c1[nH]nc(C2CCN(c3ccc([N+](=O)[O-])cc3C(F)F)CC2)o1 ZINC001186430538 1387941151 /nfs/dbraw/zinc/94/11/51/1387941151.db2.gz CGSYTYUJJIICIQ-UHFFFAOYSA-N 0 1 340.286 3.005 10 5 EGBEMN CN1CC[C@@H](NCc2c(F)cccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001117627049 1371056811 /nfs/dbraw/zinc/05/68/11/1371056811.db2.gz WJZFMVRHQAJZLK-AEFFLSMTSA-N 0 1 347.365 3.408 10 5 EGBEMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Oc2ccccc2)c(F)c1 ZINC001125273099 1372765577 /nfs/dbraw/zinc/76/55/77/1372765577.db2.gz HMGKBKJRVRMWIW-DJSGYFEHSA-N 0 1 344.342 3.460 10 5 EGBEMN CC(C)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001127549265 1373138169 /nfs/dbraw/zinc/13/81/69/1373138169.db2.gz OCQGYNYWQOSOLS-ZDUSSCGKSA-N 0 1 345.321 3.425 10 5 EGBEMN CCC(C)(C)C(=O)N(C)CCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001327252811 1388466018 /nfs/dbraw/zinc/46/60/18/1388466018.db2.gz VQGTWGMKSPBOIA-UHFFFAOYSA-N 0 1 335.448 3.311 10 5 EGBEMN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])Nc1ccc2[nH]nnc2c1 ZINC001149025149 1379312653 /nfs/dbraw/zinc/31/26/53/1379312653.db2.gz IUSNLJMDNDGSES-UHFFFAOYSA-N 0 1 345.746 3.091 10 5 EGBEMN CC(C)c1[nH]nc(C(=O)N2COCC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001304134263 1383835210 /nfs/dbraw/zinc/83/52/10/1383835210.db2.gz CSFVGYVFJLDOIY-ZDUSSCGKSA-N 0 1 344.371 3.003 10 5 EGBEMN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1cccc2c[nH]nc21 ZINC001306863427 1383911681 /nfs/dbraw/zinc/91/16/81/1383911681.db2.gz XWZIOPSKRRBTNB-UHFFFAOYSA-N 0 1 333.307 3.272 10 5 EGBEMN CC(C)c1nc(CC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC001307191064 1383954357 /nfs/dbraw/zinc/95/43/57/1383954357.db2.gz DTMPOXCMLUKGOJ-UHFFFAOYSA-N 0 1 329.404 3.295 10 5 EGBEMN CC(C)c1nnc(CC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC001307191064 1383954361 /nfs/dbraw/zinc/95/43/61/1383954361.db2.gz DTMPOXCMLUKGOJ-UHFFFAOYSA-N 0 1 329.404 3.295 10 5 EGBEMN C[C@@](CO)(NCc1ccc2ncccc2c1)c1cccc([N+](=O)[O-])c1 ZINC001307999933 1384071157 /nfs/dbraw/zinc/07/11/57/1384071157.db2.gz PECYQFDNPWJIJS-IBGZPJMESA-N 0 1 337.379 3.140 10 5 EGBEMN CC1(C)CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC001175332192 1385255689 /nfs/dbraw/zinc/25/56/89/1385255689.db2.gz XXVNRJJTXWAOQU-UONOGXRCSA-N 0 1 342.399 3.410 10 5 EGBEMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001333302855 1390280278 /nfs/dbraw/zinc/28/02/78/1390280278.db2.gz WJROMNWAYAOVRV-JFUSQASVSA-N 0 1 327.283 3.025 10 5 EGBEMN CCN(CCCNC(=O)c1ccc(C)o1)Cc1ccccc1[N+](=O)[O-] ZINC001490311489 1393174159 /nfs/dbraw/zinc/17/41/59/1393174159.db2.gz CLBFAYQUJZGSRD-UHFFFAOYSA-N 0 1 345.399 3.138 10 5 EGBEMN CN(CCNC(=O)CC1CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001690922646 1404834038 /nfs/dbraw/zinc/83/40/38/1404834038.db2.gz UBQWRHWKZBYTOQ-UHFFFAOYSA-N 0 1 333.432 3.113 10 5 EGBEMN CN(CCN(C)C(=O)C1CCCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001715770899 1420336430 /nfs/dbraw/zinc/33/64/30/1420336430.db2.gz TUGNSOOJDOPWGN-UHFFFAOYSA-N 0 1 347.459 3.455 10 5 EGBEMN CC/C=C(\C)C(=O)NCC1(NCc2csc([N+](=O)[O-])c2)CCC1 ZINC001717147911 1421139965 /nfs/dbraw/zinc/13/99/65/1421139965.db2.gz KGOJUBILEUFQLK-LFYBBSHMSA-N 0 1 337.445 3.141 10 5 EGBEMN CN(CCc1ccc(F)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000055022516 214265385 /nfs/dbraw/zinc/26/53/85/214265385.db2.gz YZCDHJFFNYVNAG-UHFFFAOYSA-N 0 1 346.358 3.275 10 5 EGBEMN Cc1ccc(CC[C@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)o1 ZINC000359621147 141388828 /nfs/dbraw/zinc/38/88/28/141388828.db2.gz XHOJLNJMYJPECR-JTQLQIEISA-N 0 1 342.355 3.124 10 5 EGBEMN O=[N+]([O-])c1cccc(-c2ccc(CN3CCSC[C@H]3CCO)o2)c1 ZINC000355085740 166102187 /nfs/dbraw/zinc/10/21/87/166102187.db2.gz YKFLDFSKVOKZBH-OAHLLOKOSA-N 0 1 348.424 3.155 10 5 EGBEMN COc1cc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000360222685 167275438 /nfs/dbraw/zinc/27/54/38/167275438.db2.gz UYDHEJINEDKKPE-FNODVLLQSA-N 0 1 348.424 3.192 10 5 EGBEMN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000366812324 168143789 /nfs/dbraw/zinc/14/37/89/168143789.db2.gz UGGJYOJOEXLADJ-RVKKMQEKSA-N 0 1 334.416 3.062 10 5 EGBEMN Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000273373928 267029235 /nfs/dbraw/zinc/02/92/35/267029235.db2.gz GGMJQIPHRNFZTF-ZLOXQWCVSA-N 0 1 332.425 3.491 10 5 EGBEMN C[C@@H]1CC[C@@]2(CCN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000359555309 274313705 /nfs/dbraw/zinc/31/37/05/274313705.db2.gz KENKIBNXMYOIQT-DKSSEZFCSA-N 0 1 343.427 3.212 10 5 EGBEMN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H](C4CC4)C3)n2)c1 ZINC000288563788 276228436 /nfs/dbraw/zinc/22/84/36/276228436.db2.gz AGXFBPRSDITLQT-CQSZACIVSA-N 0 1 328.372 3.267 10 5 EGBEMN O=[N+]([O-])c1cccc(-c2ccc(CNCc3n[nH]c(C4CC4)n3)o2)c1 ZINC000294688025 308246061 /nfs/dbraw/zinc/24/60/61/308246061.db2.gz CDAZRTOMASFNPX-UHFFFAOYSA-N 0 1 339.355 3.140 10 5 EGBEMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451883889 310201562 /nfs/dbraw/zinc/20/15/62/310201562.db2.gz FRXXTLSQQFRLQK-WDMOLILDSA-N 0 1 332.322 3.209 10 5 EGBEMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451883889 310201563 /nfs/dbraw/zinc/20/15/63/310201563.db2.gz FRXXTLSQQFRLQK-WDMOLILDSA-N 0 1 332.322 3.209 10 5 EGBEMN CC(C)[C@H]1CCCC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000487024289 311007473 /nfs/dbraw/zinc/00/74/73/311007473.db2.gz GNEILTWWWOGRIU-TZMCWYRMSA-N 0 1 330.388 3.416 10 5 EGBEMN Cc1cc(C)n2c(CNC(C)(C)c3ccccc3[N+](=O)[O-])cnc2n1 ZINC000492433782 311250461 /nfs/dbraw/zinc/25/04/61/311250461.db2.gz BPHVINWXTOQHOC-UHFFFAOYSA-N 0 1 339.399 3.279 10 5 EGBEMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1c(Cl)ccc(F)c1Cl ZINC000137176585 454770905 /nfs/dbraw/zinc/77/09/05/454770905.db2.gz CIWIXDPZKDPFLU-RXMQYKEDSA-N 0 1 347.133 3.255 10 5 EGBEMN CC[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000185110774 323688911 /nfs/dbraw/zinc/68/89/11/323688911.db2.gz TZBXRJLEHCWNDY-LLVKDONJSA-N 0 1 334.401 3.121 10 5 EGBEMN Cc1cnn(CCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000180801324 455248185 /nfs/dbraw/zinc/24/81/85/455248185.db2.gz BLLCQLFBPGSDMD-LJQANCHMSA-N 0 1 336.395 3.479 10 5 EGBEMN CC[C@@H](NCC(=O)N1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000181550155 455353605 /nfs/dbraw/zinc/35/36/05/455353605.db2.gz JZKDKQDBWBNFDT-QGZVFWFLSA-N 0 1 339.395 3.225 10 5 EGBEMN COc1ccccc1[C@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000032793594 453891488 /nfs/dbraw/zinc/89/14/88/453891488.db2.gz CRUVNULQEJXSEV-STQMWFEESA-N 0 1 343.383 3.281 10 5 EGBEMN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc2ncccc21 ZINC000102319699 454499726 /nfs/dbraw/zinc/49/97/26/454499726.db2.gz HXWUHWSWQYILNQ-UHFFFAOYSA-N 0 1 343.364 3.252 10 5 EGBEMN O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000106526811 454699083 /nfs/dbraw/zinc/69/90/83/454699083.db2.gz WXOXFUJXZYCXHB-IIDMSEBBSA-N 0 1 336.347 3.304 10 5 EGBEMN Cc1nc([C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c2ccccc2)n[nH]1 ZINC000162604606 454787080 /nfs/dbraw/zinc/78/70/80/454787080.db2.gz GPSPDLLJGSVHSL-SJCJKPOMSA-N 0 1 337.383 3.462 10 5 EGBEMN Cc1nc([C@@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)c2ccccc2)n[nH]1 ZINC000162604834 454787274 /nfs/dbraw/zinc/78/72/74/454787274.db2.gz GPSPDLLJGSVHSL-PXAZEXFGSA-N 0 1 337.383 3.462 10 5 EGBEMN CC[C@@H](NCCOc1ccc(OC)cc1[N+](=O)[O-])c1nccs1 ZINC000185066464 455494810 /nfs/dbraw/zinc/49/48/10/455494810.db2.gz KBPCRMQJLFXBGW-GFCCVEGCSA-N 0 1 337.401 3.180 10 5 EGBEMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000277782579 455664962 /nfs/dbraw/zinc/66/49/62/455664962.db2.gz NWNZXLSWLHHIMZ-OSMZGAPFSA-N 0 1 332.322 3.291 10 5 EGBEMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1cccs1 ZINC000192675486 455667164 /nfs/dbraw/zinc/66/71/64/455667164.db2.gz UYSPMLYQEBVRCM-GHMZBOCLSA-N 0 1 349.412 3.343 10 5 EGBEMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000325796651 456686627 /nfs/dbraw/zinc/68/66/27/456686627.db2.gz NNIWTNFCMJYURY-GFCCVEGCSA-N 0 1 326.352 3.412 10 5 EGBEMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000325796651 456686637 /nfs/dbraw/zinc/68/66/37/456686637.db2.gz NNIWTNFCMJYURY-GFCCVEGCSA-N 0 1 326.352 3.412 10 5 EGBEMN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000299613787 456744102 /nfs/dbraw/zinc/74/41/02/456744102.db2.gz IYFSEVVADPITON-QGZVFWFLSA-N 0 1 345.374 3.075 10 5 EGBEMN Cc1cc(C)c([N+](=O)[O-])c(NC2CCN(Cc3ccncc3)CC2)n1 ZINC000359087203 457050799 /nfs/dbraw/zinc/05/07/99/457050799.db2.gz XEVCABLMVZDVKQ-UHFFFAOYSA-N 0 1 341.415 3.078 10 5 EGBEMN C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000352717596 457554382 /nfs/dbraw/zinc/55/43/82/457554382.db2.gz BEEQSHXVDIHULO-ACJLOTCBSA-N 0 1 328.368 3.262 10 5 EGBEMN O=[N+]([O-])c1ccc(O)cc1CN1c2ccccc2CC[C@H]1CCO ZINC000425498097 457577368 /nfs/dbraw/zinc/57/73/68/457577368.db2.gz ZWVHCFYQFDIOFL-HNNXBMFYSA-N 0 1 328.368 3.004 10 5 EGBEMN COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000430199692 458419270 /nfs/dbraw/zinc/41/92/70/458419270.db2.gz DKDRBACJPDWPJH-UGSOOPFHSA-N 0 1 342.395 3.427 10 5 EGBEMN Cc1c(CN2CCC[C@H](C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000464590076 458762302 /nfs/dbraw/zinc/76/23/02/458762302.db2.gz DTVJTNSXHJSQCR-HNNXBMFYSA-N 0 1 334.416 3.457 10 5 EGBEMN Cc1cc(N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576946522 458952562 /nfs/dbraw/zinc/95/25/62/458952562.db2.gz PSXSVDOMVAXQIH-MBNYWOFBSA-N 0 1 349.431 3.380 10 5 EGBEMN Cc1c(C(=O)NCCN2CC=C(C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000476948450 459023424 /nfs/dbraw/zinc/02/34/24/459023424.db2.gz VGGYWGHWOXUGPB-UHFFFAOYSA-N 0 1 345.443 3.311 10 5 EGBEMN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCCN(C2CCCCC2)C1=O ZINC000442997615 459072580 /nfs/dbraw/zinc/07/25/80/459072580.db2.gz ZHVDXCMWRGBOOI-SFHVURJKSA-N 0 1 345.443 3.317 10 5 EGBEMN COc1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000594734152 459144825 /nfs/dbraw/zinc/14/48/25/459144825.db2.gz QQVVTYLWSRLTNB-ILXRZTDVSA-N 0 1 348.399 3.069 10 5 EGBEMN O=C([O-])[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@H]12 ZINC000594734368 459145247 /nfs/dbraw/zinc/14/52/47/459145247.db2.gz YLKQBWNQAUSSQX-ZACQAIPSSA-N 0 1 332.400 3.103 10 5 EGBEMN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000568783212 459346014 /nfs/dbraw/zinc/34/60/14/459346014.db2.gz PRLWZTWHDIGKIG-WBVHZDCISA-N 0 1 332.400 3.450 10 5 EGBEMN CCCN1C(=O)N=NC1SCc1ccc([N+](=O)[O-])cc1Cl ZINC000542005682 459519080 /nfs/dbraw/zinc/51/90/80/459519080.db2.gz DZDQCXMVSVHZMA-UHFFFAOYSA-N 0 1 328.781 3.248 10 5 EGBEMN CCc1[nH]nc(C(=O)N2CC[C@@H]([C@@H]3CCCC3(C)C)C2)c1[N+](=O)[O-] ZINC000592874572 459708475 /nfs/dbraw/zinc/70/84/75/459708475.db2.gz TWOSDWCILAMUKU-NEPJUHHUSA-N 0 1 334.420 3.169 10 5 EGBEMN CCSCC[C@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593739550 459968650 /nfs/dbraw/zinc/96/86/50/459968650.db2.gz AOFUUOZYDSCVTC-NSHDSACASA-N 0 1 326.418 3.257 10 5 EGBEMN C/C=C\CNCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000599006366 460124791 /nfs/dbraw/zinc/12/47/91/460124791.db2.gz WCHORWFPLAUZDD-ARJAWSKDSA-N 0 1 334.294 3.210 10 5 EGBEMN CC(C)CCc1nnc(NC(=O)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000601666284 460862966 /nfs/dbraw/zinc/86/29/66/460862966.db2.gz YRRUENDZGYMSBR-UHFFFAOYSA-N 0 1 338.364 3.426 10 5 EGBEMN Cc1cc(C[C@@H](C)NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n[nH]1 ZINC000190189559 533755777 /nfs/dbraw/zinc/75/57/77/533755777.db2.gz QKZSNKHYNDABNW-LLVKDONJSA-N 0 1 330.388 3.111 10 5 EGBEMN CN(C)Cc1cc(CNc2nc3sccn3c2[N+](=O)[O-])ccc1F ZINC000265236634 535990946 /nfs/dbraw/zinc/99/09/46/535990946.db2.gz RZQMDLNPFIIBKR-UHFFFAOYSA-N 0 1 349.391 3.117 10 5 EGBEMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC(c2ncc[nH]2)CC1 ZINC000267017278 538554549 /nfs/dbraw/zinc/55/45/49/538554549.db2.gz PHCGBVWJUFTABN-UHFFFAOYSA-N 0 1 330.388 3.096 10 5 EGBEMN O=C(Nc1cnn(-c2ccncc2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000727095138 574647951 /nfs/dbraw/zinc/64/79/51/574647951.db2.gz 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1387194742 /nfs/dbraw/zinc/19/47/42/1387194742.db2.gz CTBHJOSQVXKTGV-GXFFZTMASA-N 0 1 329.360 3.145 10 5 EGBEMN CC(C)(C)CC(=O)NCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001481160087 1393138403 /nfs/dbraw/zinc/13/84/03/1393138403.db2.gz ZKRZCGHIVQGJEY-UHFFFAOYSA-N 0 1 333.432 3.112 10 5 EGBEMN CC(C)(C(=O)NCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC001481184323 1393144367 /nfs/dbraw/zinc/14/43/67/1393144367.db2.gz NBYJDEABYBBBPF-UHFFFAOYSA-N 0 1 345.443 3.112 10 5 EGBEMN C=C/C(C)=C\CC(=O)NC[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001691735016 1405457433 /nfs/dbraw/zinc/45/74/33/1405457433.db2.gz URHGPLVCCDJEEQ-AZZGRDHHSA-N 0 1 349.456 3.163 10 5 EGBEMN CCCC(=O)NCc1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC001732314965 1428526611 /nfs/dbraw/zinc/52/66/11/1428526611.db2.gz PZWSRTPFCKAFRH-UHFFFAOYSA-N 0 1 341.411 3.301 10 5 EGBEMN Cc1ccc(C)c(C(=O)N(C)CCNCc2ccccc2[N+](=O)[O-])c1 ZINC001713658372 1418417715 /nfs/dbraw/zinc/41/77/15/1418417715.db2.gz ZUARKGCUMPHFOB-UHFFFAOYSA-N 0 1 341.411 3.073 10 5 EGBEMN CCN(CCNCc1ccccc1[N+](=O)[O-])C(=O)CC1CC(C)(C)C1 ZINC001716235171 1420575603 /nfs/dbraw/zinc/57/56/03/1420575603.db2.gz CIMWSDDVTSBVFZ-UHFFFAOYSA-N 0 1 347.459 3.359 10 5 EGBEMN CCOC(=O)c1ccccc1Nc1ncnc(OC(C)C)c1[N+](=O)[O-] ZINC000040659691 213364760 /nfs/dbraw/zinc/36/47/60/213364760.db2.gz MKWIWVUXSZMYNV-UHFFFAOYSA-N 0 1 346.343 3.092 10 5 EGBEMN CCC[C@H](O)CN[C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000036160397 213074483 /nfs/dbraw/zinc/07/44/83/213074483.db2.gz UIJZZNZPDFGOHM-LSDHHAIUSA-N 0 1 348.403 3.093 10 5 EGBEMN O=[N+]([O-])c1ccc2[nH]cc(S(=O)(=O)Nc3ccc(F)cc3)c2c1 ZINC000020491984 212139003 /nfs/dbraw/zinc/13/90/03/212139003.db2.gz SALATMBQAAIGEX-UHFFFAOYSA-N 0 1 335.316 3.016 10 5 EGBEMN CNC(=O)[C@@H]1CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000092097099 218118553 /nfs/dbraw/zinc/11/85/53/218118553.db2.gz AEDPQXWTRXNXQP-HNNXBMFYSA-N 0 1 345.424 3.034 10 5 EGBEMN Cc1nc2cc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)ccc2o1 ZINC000012536093 258054535 /nfs/dbraw/zinc/05/45/35/258054535.db2.gz GCFDJKYMPYUUGW-UHFFFAOYSA-N 0 1 347.352 3.154 10 5 EGBEMN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2cccs2)c([N+](=O)[O-])c1 ZINC000172603429 144023429 /nfs/dbraw/zinc/02/34/29/144023429.db2.gz INLQPMSPOOGADF-WDEREUQCSA-N 0 1 349.412 3.343 10 5 EGBEMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCCN(c2ccccn2)CC1 ZINC000183826534 144080370 /nfs/dbraw/zinc/08/03/70/144080370.db2.gz MKDJXUKTCGSSEJ-OAHLLOKOSA-N 0 1 326.400 3.263 10 5 EGBEMN O=C(Nc1cccc(-c2nnc[nH]2)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000114393605 162229371 /nfs/dbraw/zinc/22/93/71/162229371.db2.gz PXYJKHHPGICKFA-UHFFFAOYSA-N 0 1 348.322 3.114 10 5 EGBEMN Cc1cccc2nc(CNC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[nH]c21 ZINC000345930792 164297984 /nfs/dbraw/zinc/29/79/84/164297984.db2.gz COHDHMVNYIROTL-UHFFFAOYSA-N 0 1 349.350 3.191 10 5 EGBEMN Cc1[nH]nc2cc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)ccc12 ZINC000354998612 166083048 /nfs/dbraw/zinc/08/30/48/166083048.db2.gz WTWRTIZXVPXHSN-UHFFFAOYSA-N 0 1 349.350 3.373 10 5 EGBEMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@]2(CC[C@H](C)C2)C1 ZINC000359554692 167190145 /nfs/dbraw/zinc/19/01/45/167190145.db2.gz JJQWPRJXOFATNB-UGSOOPFHSA-N 0 1 331.416 3.354 10 5 EGBEMN CC[C@@H]1CN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@]2(CCOC2)O1 ZINC000366596999 287207436 /nfs/dbraw/zinc/20/74/36/287207436.db2.gz UAFUMCIIGOTQMO-LESCRADOSA-N 0 1 334.416 3.234 10 5 EGBEMN O=C(CC[N@H+]1CC[C@H](CC(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000278757283 275272122 /nfs/dbraw/zinc/27/21/22/275272122.db2.gz MKHXLDFWFSAHMB-LLVKDONJSA-N 0 1 345.321 3.198 10 5 EGBEMN C[C@@H](CNCc1csc([N+](=O)[O-])c1)N(C)C(=O)OC(C)(C)C ZINC000282620341 275654316 /nfs/dbraw/zinc/65/43/16/275654316.db2.gz FMNHMBBMNVMENO-JTQLQIEISA-N 0 1 329.422 3.001 10 5 EGBEMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@H](C2CC2)C1 ZINC000288776154 276251720 /nfs/dbraw/zinc/25/17/20/276251720.db2.gz BKNMLTUBEFCQIK-JSGCOSHPSA-N 0 1 347.415 3.052 10 5 EGBEMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000183086282 281009132 /nfs/dbraw/zinc/00/91/32/281009132.db2.gz XYYGWPPMQOFHBM-ZDUSSCGKSA-N 0 1 344.375 3.089 10 5 EGBEMN Cc1ccc([C@@H](C)NCc2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000295693216 308351235 /nfs/dbraw/zinc/35/12/35/308351235.db2.gz LXIIJJHFZNKLAI-CYBMUJFWSA-N 0 1 348.424 3.158 10 5 EGBEMN C[C@H](CC[S@@](C)=O)N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352849453 308885965 /nfs/dbraw/zinc/88/59/65/308885965.db2.gz PAKPXCOLHQGZHJ-NMCNPDOESA-N 0 1 346.452 3.431 10 5 EGBEMN O=C(Nc1nc(C(F)(F)F)cs1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427895835 309537814 /nfs/dbraw/zinc/53/78/14/309537814.db2.gz MJSHXORDTKLJIH-UHFFFAOYSA-N 0 1 333.247 3.028 10 5 EGBEMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000449665809 310079098 /nfs/dbraw/zinc/07/90/98/310079098.db2.gz DCTSXJGNGOYAAC-SQIFRAFTSA-N 0 1 344.333 3.243 10 5 EGBEMN CCCc1ncc(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)o1 ZINC000450846701 310145561 /nfs/dbraw/zinc/14/55/61/310145561.db2.gz NKNSKCZKZNUKPD-UHFFFAOYSA-N 0 1 326.356 3.426 10 5 EGBEMN CCCc1[nH]nc(C(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)c1[N+](=O)[O-] ZINC000456112744 310389042 /nfs/dbraw/zinc/38/90/42/310389042.db2.gz GSHQPEXOCPTHNA-DTWKUNHWSA-N 0 1 348.325 3.073 10 5 EGBEMN CCCc1[nH]nc(C(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)c1[N+](=O)[O-] ZINC000456112746 310389058 /nfs/dbraw/zinc/38/90/58/310389058.db2.gz GSHQPEXOCPTHNA-IUCAKERBSA-N 0 1 348.325 3.073 10 5 EGBEMN CCOc1cc(C[N@@H+]2[C@H](C)[C@H](C(=O)[O-])CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000563454173 316024823 /nfs/dbraw/zinc/02/48/23/316024823.db2.gz JHZJIWVXQGCUQN-OUCADQQQSA-N 0 1 336.388 3.067 10 5 EGBEMN Cc1noc(CCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000180843064 455254292 /nfs/dbraw/zinc/25/42/92/455254292.db2.gz UILILZHZGVZANO-SFHVURJKSA-N 0 1 338.367 3.208 10 5 EGBEMN Cc1ccc(O)c(C(=O)c2c[nH]c3nc(=O)c4ccccc4c-3c2)c1 ZINC000012892853 453420045 /nfs/dbraw/zinc/42/00/45/453420045.db2.gz UBLZEQBPHLJTQQ-UHFFFAOYSA-N 0 1 330.343 3.321 10 5 EGBEMN CC(C)c1n[nH]c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)n1 ZINC000031843461 453855796 /nfs/dbraw/zinc/85/57/96/453855796.db2.gz RFXGUCIAPYDRCQ-UHFFFAOYSA-N 0 1 346.372 3.179 10 5 EGBEMN CC(C)c1nc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)n[nH]1 ZINC000031843461 453855798 /nfs/dbraw/zinc/85/57/98/453855798.db2.gz RFXGUCIAPYDRCQ-UHFFFAOYSA-N 0 1 346.372 3.179 10 5 EGBEMN O=[N+]([O-])c1cnccc1N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000076063993 453955919 /nfs/dbraw/zinc/95/59/19/453955919.db2.gz CFYFQVKAHWSYAL-UHFFFAOYSA-N 0 1 341.293 3.116 10 5 EGBEMN O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)[C@H]1CC1[N+](=O)[O-] ZINC000044398347 454099836 /nfs/dbraw/zinc/09/98/36/454099836.db2.gz WXOXFUJXZYCXHB-RLFYNMQTSA-N 0 1 336.347 3.304 10 5 EGBEMN CCN(CC)C(=O)C1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000069681976 454132323 /nfs/dbraw/zinc/13/23/23/454132323.db2.gz SYJZXHMBMQLFIS-CQSZACIVSA-N 0 1 333.432 3.236 10 5 EGBEMN O=C(Nc1cccc(-c2nnc[nH]2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000069780360 454144314 /nfs/dbraw/zinc/14/43/14/454144314.db2.gz GRTQBWHYNXTZTN-UHFFFAOYSA-N 0 1 343.730 3.286 10 5 EGBEMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000120085815 454256248 /nfs/dbraw/zinc/25/62/48/454256248.db2.gz OSYKMOAMSZGTDU-ZDUSSCGKSA-N 0 1 344.375 3.089 10 5 EGBEMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000093683947 454728884 /nfs/dbraw/zinc/72/88/84/454728884.db2.gz UFGZCJAERKCABT-INIZCTEOSA-N 0 1 342.395 3.339 10 5 EGBEMN CC[C@H](NCC(=O)N[C@@H]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000181530986 455349734 /nfs/dbraw/zinc/34/97/34/455349734.db2.gz NRIRXVLKENMADS-RRQGHBQHSA-N 0 1 333.432 3.330 10 5 EGBEMN CCn1cc(C2CCN(Cc3cc([N+](=O)[O-])ccc3OC)CC2)cn1 ZINC000195500243 455968718 /nfs/dbraw/zinc/96/87/18/455968718.db2.gz XJTMKSGFAFVAIN-UHFFFAOYSA-N 0 1 344.415 3.199 10 5 EGBEMN O=[N+]([O-])c1ccccc1OCCN1CCC(F)(c2ccccn2)CC1 ZINC000347703562 456316070 /nfs/dbraw/zinc/31/60/70/456316070.db2.gz KGCAAMGAPIOCHT-UHFFFAOYSA-N 0 1 345.374 3.329 10 5 EGBEMN CC[C@@H](NCc1ccc(S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000337578641 456396294 /nfs/dbraw/zinc/39/62/94/456396294.db2.gz HOJCBICYIHUUAF-QGZVFWFLSA-N 0 1 348.424 3.239 10 5 EGBEMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(CC(=O)N2CCCC2)CC1 ZINC000298715606 456523786 /nfs/dbraw/zinc/52/37/86/456523786.db2.gz BUZSRURGDKJMKC-HNNXBMFYSA-N 0 1 345.443 3.380 10 5 EGBEMN O=C(NCc1cccc(-c2ccccn2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356809244 457177973 /nfs/dbraw/zinc/17/79/73/457177973.db2.gz ZXOYTYHPGHHCHW-UHFFFAOYSA-N 0 1 349.346 3.292 10 5 EGBEMN C[C@@H](N[C@H](c1cccnc1)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000347332496 457357376 /nfs/dbraw/zinc/35/73/76/457357376.db2.gz BYTVITYVEPENFS-PXAZEXFGSA-N 0 1 340.383 3.058 10 5 EGBEMN Cn1c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)nc2cc(Cl)ccc21 ZINC000356186678 457516496 /nfs/dbraw/zinc/51/64/96/457516496.db2.gz BOHORMPQRAYTRP-UHFFFAOYSA-N 0 1 346.730 3.093 10 5 EGBEMN CCCc1[nH]nc(C(=O)N2CCC(C)=C(c3ccco3)C2)c1[N+](=O)[O-] ZINC000374571629 457663275 /nfs/dbraw/zinc/66/32/75/457663275.db2.gz JOADJWHGJVIJBC-UHFFFAOYSA-N 0 1 344.371 3.183 10 5 EGBEMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@@H]1CCc2[nH]cnc2C1 ZINC000370862072 457730145 /nfs/dbraw/zinc/73/01/45/457730145.db2.gz NUYLGSWBJCDVPO-SECBINFHSA-N 0 1 326.278 3.306 10 5 EGBEMN O=C(CN1C[C@@H]2CCCC[C@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000426765658 457896290 /nfs/dbraw/zinc/89/62/90/457896290.db2.gz QYXZFCOXXLIUPA-RYUDHWBXSA-N 0 1 337.807 3.309 10 5 EGBEMN O=C1CO[C@@H]2CC[N@@H+](Cc3c4ccccc4cc4ccccc43)C[C@H]2N1 ZINC000366766338 457898051 /nfs/dbraw/zinc/89/80/51/457898051.db2.gz FMQGLKUXRQAUNV-NHCUHLMSSA-N 0 1 346.430 3.082 10 5 EGBEMN CC(C)c1[nH]nc(C(=O)N2CC(c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC000412402650 458192984 /nfs/dbraw/zinc/19/29/84/458192984.db2.gz RANIDQUGZGZXKK-UHFFFAOYSA-N 0 1 348.790 3.334 10 5 EGBEMN O=[N+]([O-])c1ccc(N[C@@H](c2nnc[nH]2)c2ccccc2)c2ccncc21 ZINC000376926839 458422697 /nfs/dbraw/zinc/42/26/97/458422697.db2.gz LCGWYQDENMTYGO-QGZVFWFLSA-N 0 1 346.350 3.463 10 5 EGBEMN O=[N+]([O-])c1ccc(-c2noc(CNC3(C4CCC4)CCC3)n2)cc1 ZINC000459752400 458468129 /nfs/dbraw/zinc/46/81/29/458468129.db2.gz BRXIGQXEWRXQPJ-UHFFFAOYSA-N 0 1 328.372 3.457 10 5 EGBEMN C[N@H+]1CCCC[C@H]1CCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000431829040 458630919 /nfs/dbraw/zinc/63/09/19/458630919.db2.gz UOWHSRMBIWHOLX-NSHDSACASA-N 0 1 341.795 3.157 10 5 EGBEMN CCN1C[C@H](C)N(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000438957666 458634042 /nfs/dbraw/zinc/63/40/42/458634042.db2.gz KCCLJCOXDCAALS-RYUDHWBXSA-N 0 1 339.823 3.111 10 5 EGBEMN CCN1C[C@@H](C)N(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000438957665 458634209 /nfs/dbraw/zinc/63/42/09/458634209.db2.gz KCCLJCOXDCAALS-NWDGAFQWSA-N 0 1 339.823 3.111 10 5 EGBEMN O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000595280108 459266029 /nfs/dbraw/zinc/26/60/29/459266029.db2.gz YKKCFBRHNBNVAD-DOTOQJQBSA-N 0 1 332.400 3.450 10 5 EGBEMN COc1ccc(OCCN2CCC(c3ccco3)CC2)c([N+](=O)[O-])c1 ZINC000595618404 459370509 /nfs/dbraw/zinc/37/05/09/459370509.db2.gz OZOFHNLTSGXGGT-UHFFFAOYSA-N 0 1 346.383 3.455 10 5 EGBEMN O=[N+]([O-])c1cccc(Br)c1N[C@H]1CCc2[nH]cnc2C1 ZINC000596238624 459570992 /nfs/dbraw/zinc/57/09/92/459570992.db2.gz PTXMBUIDVWICIR-QMMMGPOBSA-N 0 1 337.177 3.050 10 5 EGBEMN C[C@@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC(F)F ZINC000592392240 459588377 /nfs/dbraw/zinc/58/83/77/459588377.db2.gz KBZMGYGNNZMZNO-ABAIWWIYSA-N 0 1 338.358 3.299 10 5 EGBEMN O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@H]4COC[C@H]4C3)cs2)c1 ZINC000597231244 459884774 /nfs/dbraw/zinc/88/47/74/459884774.db2.gz OXPPGRBZSDROSC-UONOGXRCSA-N 0 1 345.424 3.187 10 5 EGBEMN O=[N+]([O-])c1ccc(Nc2cnn(-c3ccncc3)c2)c2ccncc21 ZINC000608909465 459893901 /nfs/dbraw/zinc/89/39/01/459893901.db2.gz RAVNXBMJNDVQCC-UHFFFAOYSA-N 0 1 332.323 3.467 10 5 EGBEMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC000593749259 459974514 /nfs/dbraw/zinc/97/45/14/459974514.db2.gz DKJGJJJQPOKNHJ-GFCCVEGCSA-N 0 1 326.352 3.412 10 5 EGBEMN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000609533079 459976234 /nfs/dbraw/zinc/97/62/34/459976234.db2.gz XLJMLSGBJILNIL-UHFFFAOYSA-N 0 1 344.758 3.363 10 5 EGBEMN O=[N+]([O-])c1cnc2c(c1)CN(CCCc1c(F)cccc1F)CC2 ZINC000593971061 460033671 /nfs/dbraw/zinc/03/36/71/460033671.db2.gz SQAQWCJQCFFPIM-UHFFFAOYSA-N 0 1 333.338 3.259 10 5 EGBEMN O=[N+]([O-])c1ccccc1C=CCN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000614247727 460066287 /nfs/dbraw/zinc/06/62/87/460066287.db2.gz LNDNDCXNPLZGKM-XBMZPMPPSA-N 0 1 335.367 3.105 10 5 EGBEMN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CO[C@@H](C4CC4)C3)cs2)c1 ZINC000599007654 460125922 /nfs/dbraw/zinc/12/59/22/460125922.db2.gz RXYJQIJUMWMYLT-XJKSGUPXSA-N 0 1 345.424 3.375 10 5 EGBEMN Cc1cccc(C[C@H](CO)N[C@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872064174 1296710715 /nfs/dbraw/zinc/71/07/15/1296710715.db2.gz CVEOTOCHLAAOPU-UKRRQHHQSA-N 0 1 332.375 3.297 10 5 EGBEMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCOC2(CCCC2)C1 ZINC000923428061 1322750720 /nfs/dbraw/zinc/75/07/20/1322750720.db2.gz XTXBYUAMNJTORX-GFCCVEGCSA-N 0 1 335.356 3.083 10 5 EGBEMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC001183165739 1387270823 /nfs/dbraw/zinc/27/08/23/1387270823.db2.gz LPDAOZKNHADIES-UHFFFAOYSA-N 0 1 337.339 3.249 10 5 EGBEMN CC(C)(C)c1ccc2c(c1)CCN(CCn1cc([N+](=O)[O-])cn1)C2 ZINC001323485169 1387375680 /nfs/dbraw/zinc/37/56/80/1387375680.db2.gz DAWHGRZLUMYWGS-UHFFFAOYSA-N 0 1 328.416 3.147 10 5 EGBEMN Cc1ccc(Oc2ccccc2CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001125937538 1372894912 /nfs/dbraw/zinc/89/49/12/1372894912.db2.gz SXMOYYYUFQZJER-HZPDHXFCSA-N 0 1 326.352 3.069 10 5 EGBEMN O=[N+]([O-])c1ccc(O)cc1CSCc1nnc2n1CCCCC2 ZINC001326715483 1388287822 /nfs/dbraw/zinc/28/78/22/1388287822.db2.gz KKSFRTYBLDUEAY-UHFFFAOYSA-N 0 1 334.401 3.052 10 5 EGBEMN O=C(NCC1(c2ccc(Cl)cc2Cl)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001266221287 1377232438 /nfs/dbraw/zinc/23/24/38/1377232438.db2.gz WBDQVUXKTNUHDK-ZWNOBZJWSA-N 0 1 343.210 3.197 10 5 EGBEMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc2nc[nH]c2c1 ZINC001141229035 1378277457 /nfs/dbraw/zinc/27/74/57/1378277457.db2.gz OFOPPSOHUWYZPI-UHFFFAOYSA-N 0 1 338.367 3.326 10 5 EGBEMN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1ccc(Cl)c(O)c1 ZINC001143382653 1378589769 /nfs/dbraw/zinc/58/97/69/1378589769.db2.gz AZAVSCGUSLLGEA-UHFFFAOYSA-N 0 1 342.685 3.162 10 5 EGBEMN CCCc1[nH]nc(C(=O)N2CC[C@@]2(C)C2CCCCC2)c1[N+](=O)[O-] ZINC001152935451 1379996216 /nfs/dbraw/zinc/99/62/16/1379996216.db2.gz OCAWWBKZNAVPGM-KRWDZBQOSA-N 0 1 334.420 3.455 10 5 EGBEMN CCN1CCN(c2c3cccc(Cl)c3ncc2[N+](=O)[O-])C[C@@H]1C ZINC001162832956 1382890201 /nfs/dbraw/zinc/89/02/01/1382890201.db2.gz LRVLKIPZKNIDDQ-NSHDSACASA-N 0 1 334.807 3.327 10 5 EGBEMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1F ZINC001303406001 1383797593 /nfs/dbraw/zinc/79/75/93/1383797593.db2.gz MKDYQFPBEWCZAM-RXMQYKEDSA-N 0 1 347.133 3.255 10 5 EGBEMN O=[N+]([O-])c1c(Nc2cnn(-c3ccncc3)c2)ccc2cnccc21 ZINC001306957521 1383925849 /nfs/dbraw/zinc/92/58/49/1383925849.db2.gz ZNHIWSPIFYUQDW-UHFFFAOYSA-N 0 1 332.323 3.467 10 5 EGBEMN C[C@@H](NCC(=O)NCCC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001308070112 1384086637 /nfs/dbraw/zinc/08/66/37/1384086637.db2.gz IMUACUWCHMARRC-CQSZACIVSA-N 0 1 333.432 3.332 10 5 EGBEMN CCN(CCNC(=O)c1sccc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001317474172 1385169918 /nfs/dbraw/zinc/16/99/18/1385169918.db2.gz FGGZLXLFSCXULC-UHFFFAOYSA-N 0 1 347.440 3.217 10 5 EGBEMN CCN(CCNC(=O)[C@H]1CC[C@H](C)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001317490927 1385191270 /nfs/dbraw/zinc/19/12/70/1385191270.db2.gz MDZCPYLFDUEQOB-JCNLHEQBSA-N 0 1 347.459 3.359 10 5 EGBEMN Cc1ccc2[nH]nnc2c1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001180764680 1386872057 /nfs/dbraw/zinc/87/20/57/1386872057.db2.gz IGFDIJSFOJTRPR-UHFFFAOYSA-N 0 1 345.746 3.009 10 5 EGBEMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC001353406936 1392004978 /nfs/dbraw/zinc/00/49/78/1392004978.db2.gz WSFAFQCIUJVJRI-UHFFFAOYSA-N 0 1 341.302 3.080 10 5 EGBEMN CN(CCN(C)C(=O)C(F)=C1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001698986031 1406769260 /nfs/dbraw/zinc/76/92/60/1406769260.db2.gz RKLPYCMHJYPBIH-UHFFFAOYSA-N 0 1 349.406 3.283 10 5 EGBEMN CCN(CCNCc1csc([N+](=O)[O-])c1)C(=O)C1(CC)CCC1 ZINC001699198666 1412568802 /nfs/dbraw/zinc/56/88/02/1412568802.db2.gz OSEVKMNTFNKADO-UHFFFAOYSA-N 0 1 339.461 3.175 10 5 EGBEMN CC1(C)CC(CC(=O)NCC2(NCc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC001699663711 1413048920 /nfs/dbraw/zinc/04/89/20/1413048920.db2.gz UOESHTKOJCDNOL-UHFFFAOYSA-N 0 1 345.443 3.160 10 5 EGBEMN CC(C)=CC(=O)NC1(C)CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001699764760 1413169865 /nfs/dbraw/zinc/16/98/65/1413169865.db2.gz KHFRUGYLMLVSII-UHFFFAOYSA-N 0 1 331.416 3.032 10 5 EGBEMN C=Cc1ccc(C(=O)NCCN(C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001713468662 1418133899 /nfs/dbraw/zinc/13/38/99/1418133899.db2.gz HUPMBPKMONMXPL-UHFFFAOYSA-N 0 1 339.395 3.100 10 5 EGBEMN CC/C=C(\C)C(=O)NCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001731872730 1428132616 /nfs/dbraw/zinc/13/26/16/1428132616.db2.gz UYXXRUUGFGCMOS-LHHJGKSTSA-N 0 1 331.416 3.032 10 5 EGBEMN CC[C@H](NCC(=O)Nc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000181551403 529588421 /nfs/dbraw/zinc/58/84/21/529588421.db2.gz UMXBLHDUUKZVNC-KRWDZBQOSA-N 0 1 343.383 3.283 10 5 EGBEMN O=C(CN1CCC2(C1)CCCCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000303912629 154058712 /nfs/dbraw/zinc/05/87/12/154058712.db2.gz NCLLZZOVBQFOCE-UHFFFAOYSA-N 0 1 343.427 3.140 10 5 EGBEMN COC(=O)c1cc(F)ccc1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338348029 163218634 /nfs/dbraw/zinc/21/86/34/163218634.db2.gz CCUFJSSBRDQLJD-UHFFFAOYSA-N 0 1 346.358 3.195 10 5 EGBEMN Cc1cccc2nc(CNC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[nH]c21 ZINC000345940197 164300475 /nfs/dbraw/zinc/30/04/75/164300475.db2.gz XXCQDGOOYYXAHZ-UHFFFAOYSA-N 0 1 349.350 3.191 10 5 EGBEMN Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](c2ccco2)N2CCCC2)n1 ZINC000359079485 167060356 /nfs/dbraw/zinc/06/03/56/167060356.db2.gz BGWCJCRUQOQKOV-AWEZNQCLSA-N 0 1 330.388 3.449 10 5 EGBEMN Cc1csc(C2(NC[C@@H](O)c3cccc([N+](=O)[O-])c3)CCC2)n1 ZINC000275160181 267325548 /nfs/dbraw/zinc/32/55/48/267325548.db2.gz IRDDIRGBHLHWFL-CQSZACIVSA-N 0 1 333.413 3.062 10 5 EGBEMN Cc1nc([C@H]2CCCCN2Cc2c(Cl)cccc2[N+](=O)[O-])n[nH]1 ZINC000338332150 293386414 /nfs/dbraw/zinc/38/64/14/293386414.db2.gz GNXSMAGZDBAQJG-CQSZACIVSA-N 0 1 335.795 3.402 10 5 EGBEMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](c1cccnc1)C(C)(C)CO ZINC000293698662 308153757 /nfs/dbraw/zinc/15/37/57/308153757.db2.gz RHQSYTPVJVJEJB-KRWDZBQOSA-N 0 1 329.400 3.148 10 5 EGBEMN C[C@@H]1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000294717407 308249206 /nfs/dbraw/zinc/24/92/06/308249206.db2.gz MGEPHVVOYMOIBC-GFCCVEGCSA-N 0 1 328.372 3.247 10 5 EGBEMN Cc1ncccc1OC[C@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000418142210 309237475 /nfs/dbraw/zinc/23/74/75/309237475.db2.gz MHZDVHDUQYYVHP-MRXNPFEDSA-N 0 1 327.384 3.342 10 5 EGBEMN O=[N+]([O-])c1ccccc1-c1ccc(CNC2(CF)CCOCC2)o1 ZINC000449445723 310062474 /nfs/dbraw/zinc/06/24/74/310062474.db2.gz LMGVJDMXBKVPDQ-UHFFFAOYSA-N 0 1 334.347 3.463 10 5 EGBEMN O=[N+]([O-])c1cccnc1N1CCN(CC/C=C/c2ccccc2)CC1 ZINC000459506014 310557066 /nfs/dbraw/zinc/55/70/66/310557066.db2.gz JIIJJRBWLHXZJV-RUDMXATFSA-N 0 1 338.411 3.215 10 5 EGBEMN O=[N+]([O-])c1ccc(-c2ccc(CN3CC4(C3)CCOCC4)o2)cc1 ZINC000459628937 310565068 /nfs/dbraw/zinc/56/50/68/310565068.db2.gz ZENODIZVHFQCCX-UHFFFAOYSA-N 0 1 328.368 3.467 10 5 EGBEMN CCOc1cc(CN[C@H](CO)c2sccc2C)ccc1[N+](=O)[O-] ZINC000492898581 311304288 /nfs/dbraw/zinc/30/42/88/311304288.db2.gz YXGJDRGUSTUAND-CYBMUJFWSA-N 0 1 336.413 3.187 10 5 EGBEMN Cc1ccc(CN2CCC[C@@H](C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000563751998 316064167 /nfs/dbraw/zinc/06/41/67/316064167.db2.gz WLRQVJCHXGUXIV-OAHLLOKOSA-N 0 1 334.416 3.457 10 5 EGBEMN CCOC(=O)[C@@H]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000280814521 456057956 /nfs/dbraw/zinc/05/79/56/456057956.db2.gz UPEXXWTZTLNMDC-PWSUYJOCSA-N 0 1 326.780 3.070 10 5 EGBEMN Cc1cc(NCCN2CCCC2)c(Br)cc1[N+](=O)[O-] ZINC000235879696 456154575 /nfs/dbraw/zinc/15/45/75/456154575.db2.gz GOXPCWNMAWIPRO-UHFFFAOYSA-N 0 1 328.210 3.173 10 5 EGBEMN Cc1noc(CCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000180843086 455254619 /nfs/dbraw/zinc/25/46/19/455254619.db2.gz UILILZHZGVZANO-GOSISDBHSA-N 0 1 338.367 3.208 10 5 EGBEMN COc1ccc([C@H](C)NCc2ccc([N+](=O)[O-])cc2)cc1NC(C)=O ZINC000089513355 454158505 /nfs/dbraw/zinc/15/85/05/454158505.db2.gz NPRDEGQGMHXUGV-LBPRGKRZSA-N 0 1 343.383 3.413 10 5 EGBEMN CC[C@H](N[C@H](C)C(=O)Nc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000090068880 454271291 /nfs/dbraw/zinc/27/12/91/454271291.db2.gz LVRWMMLONOONQL-MFKMUULPSA-N 0 1 334.401 3.119 10 5 EGBEMN Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)s1 ZINC000047982666 454428422 /nfs/dbraw/zinc/42/84/22/454428422.db2.gz YKOUQGNPVXXMRT-UHFFFAOYSA-N 0 1 326.399 3.382 10 5 EGBEMN CO[C@@H](C)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000171013880 455015838 /nfs/dbraw/zinc/01/58/38/455015838.db2.gz GXKHSZBDNHARQY-NSHDSACASA-N 0 1 336.369 3.103 10 5 EGBEMN CC(C)(C)OC(=O)[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000179959839 455106483 /nfs/dbraw/zinc/10/64/83/455106483.db2.gz JIGYPBHBZKIDEQ-PMGBHYCQSA-N 0 1 332.400 3.272 10 5 EGBEMN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000185586063 455582056 /nfs/dbraw/zinc/58/20/56/455582056.db2.gz VIVLCVIJJIHXAX-OAHLLOKOSA-N 0 1 334.416 3.457 10 5 EGBEMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC=C(c2ccnn2C)CC1 ZINC000285527529 455863488 /nfs/dbraw/zinc/86/34/88/455863488.db2.gz HCKJENCYOOKLPU-CQSZACIVSA-N 0 1 326.400 3.487 10 5 EGBEMN Cc1ccc([C@@H](C)CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000303779069 456486865 /nfs/dbraw/zinc/48/68/65/456486865.db2.gz SDOYFQSISXNGPI-LBPRGKRZSA-N 0 1 338.367 3.313 10 5 EGBEMN C[C@@H](NC(=O)c1cc(F)cc2nc[nH]c21)c1ccccc1[N+](=O)[O-] ZINC000342488238 457331062 /nfs/dbraw/zinc/33/10/62/457331062.db2.gz HIVUYNLGEGGCQR-SECBINFHSA-N 0 1 328.303 3.101 10 5 EGBEMN CNC(=O)C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000360921878 457433755 /nfs/dbraw/zinc/43/37/55/457433755.db2.gz XYOHQFDUJPCTNT-CXAGYDPISA-N 0 1 327.384 3.123 10 5 EGBEMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[C@@H]1c1nnc[nH]1 ZINC000408522733 457579829 /nfs/dbraw/zinc/57/98/29/457579829.db2.gz CRKCYBCOWNEMHM-SNVBAGLBSA-N 0 1 327.266 3.073 10 5 EGBEMN COCCN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCOC1 ZINC000426502534 457843953 /nfs/dbraw/zinc/84/39/53/457843953.db2.gz CFTJTYBRMGTZCC-INIZCTEOSA-N 0 1 346.383 3.092 10 5 EGBEMN CC[C@H](NC(=O)N1CCN(CC)C[C@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000458506330 458073501 /nfs/dbraw/zinc/07/35/01/458073501.db2.gz NPKCVKOAYYDQLF-WBVHZDCISA-N 0 1 348.447 3.172 10 5 EGBEMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc2ncsc2c1 ZINC000362504952 458225769 /nfs/dbraw/zinc/22/57/69/458225769.db2.gz KSQDGUXTBUPEJG-SECBINFHSA-N 0 1 343.364 3.401 10 5 EGBEMN CCCc1[nH]nc(C(=O)N2CC[C@H](c3ccc(C)cc3)C2)c1[N+](=O)[O-] ZINC000373276379 458449576 /nfs/dbraw/zinc/44/95/76/458449576.db2.gz YCDFOSKDNUZFPF-AWEZNQCLSA-N 0 1 342.399 3.209 10 5 EGBEMN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3cnc[nH]3)CC2)c1 ZINC000378081274 458624844 /nfs/dbraw/zinc/62/48/44/458624844.db2.gz XRCHGHZFJDFXTJ-UHFFFAOYSA-N 0 1 346.412 3.060 10 5 EGBEMN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCc2cc(N)ccc21 ZINC000566490271 458948387 /nfs/dbraw/zinc/94/83/87/458948387.db2.gz FRTAUGNURJQYOE-KRWDZBQOSA-N 0 1 327.384 3.353 10 5 EGBEMN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCc2cc(N)ccc21 ZINC000566490272 458948403 /nfs/dbraw/zinc/94/84/03/458948403.db2.gz FRTAUGNURJQYOE-QGZVFWFLSA-N 0 1 327.384 3.353 10 5 EGBEMN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000476924309 459022016 /nfs/dbraw/zinc/02/20/16/459022016.db2.gz PAQLIBDLPYAAFP-UHFFFAOYSA-N 0 1 345.443 3.311 10 5 EGBEMN Cc1nc(N2CCCC[C@@H]2c2n[nH]c(C(C)C)n2)ccc1[N+](=O)[O-] ZINC000521394248 459145830 /nfs/dbraw/zinc/14/58/30/459145830.db2.gz SWPZQINGWOKJEH-CYBMUJFWSA-N 0 1 330.392 3.271 10 5 EGBEMN Cc1nc(N2CCCC[C@H]2c2n[nH]c(C(C)C)n2)ccc1[N+](=O)[O-] ZINC000521394249 459146636 /nfs/dbraw/zinc/14/66/36/459146636.db2.gz SWPZQINGWOKJEH-ZDUSSCGKSA-N 0 1 330.392 3.271 10 5 EGBEMN O=[N+]([O-])c1cc(F)c(COc2ccccc2-c2nnc[nH]2)c(F)c1 ZINC000590587164 459154519 /nfs/dbraw/zinc/15/45/19/459154519.db2.gz JLRRXBNKDTYIFP-UHFFFAOYSA-N 0 1 332.266 3.237 10 5 EGBEMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1Cc2ccccc2N(C)C1=O ZINC000595074862 459238500 /nfs/dbraw/zinc/23/85/00/459238500.db2.gz WKXGMGSVEWKNCK-GUYCJALGSA-N 0 1 339.395 3.142 10 5 EGBEMN COc1ccnc(CN[C@H](C)CCc2ccccc2[N+](=O)[O-])c1F ZINC000595079016 459239321 /nfs/dbraw/zinc/23/93/21/459239321.db2.gz CBKMADHFJLCVAG-GFCCVEGCSA-N 0 1 333.363 3.248 10 5 EGBEMN COc1ccc([C@H](C)CN2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000595423155 459295449 /nfs/dbraw/zinc/29/54/49/459295449.db2.gz JPGGBGKNENSQJO-CYBMUJFWSA-N 0 1 327.384 3.160 10 5 EGBEMN C[C@H]1CCC[C@@H](CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000523752186 459330031 /nfs/dbraw/zinc/33/00/31/459330031.db2.gz LPERMJDESOHXTI-RYUDHWBXSA-N 0 1 330.388 3.417 10 5 EGBEMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000582244312 459332398 /nfs/dbraw/zinc/33/23/98/459332398.db2.gz UTONKBRLAWGYKZ-OKILXGFUSA-N 0 1 349.431 3.463 10 5 EGBEMN CN(C(=O)CN1CCC[C@@H](C2CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595837720 459459885 /nfs/dbraw/zinc/45/98/85/459459885.db2.gz SCFIVKHMJKZQDO-OAHLLOKOSA-N 0 1 331.416 3.070 10 5 EGBEMN COCC1(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCCCC1 ZINC000595908607 459483121 /nfs/dbraw/zinc/48/31/21/459483121.db2.gz IUYLLJXDPSHOPY-UHFFFAOYSA-N 0 1 346.387 3.084 10 5 EGBEMN CCOc1ccc(NC(=O)CN(C)C[C@@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000544115699 459729641 /nfs/dbraw/zinc/72/96/41/459729641.db2.gz VTAAQUAOTPNLIW-CQSZACIVSA-N 0 1 347.415 3.220 10 5 EGBEMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1[C@H](C)CN(C)[C@H](C)[C@@H]1C ZINC000593189670 459802141 /nfs/dbraw/zinc/80/21/41/459802141.db2.gz XQNDRVXBGGOQLS-UTUOFQBUSA-N 0 1 339.823 3.110 10 5 EGBEMN Cc1cnc(C)c(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC000593282395 459828631 /nfs/dbraw/zinc/82/86/31/459828631.db2.gz PEWCCKHHULAOIN-UHFFFAOYSA-N 0 1 335.385 3.024 10 5 EGBEMN CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C12CCC2 ZINC000598296598 459852044 /nfs/dbraw/zinc/85/20/44/459852044.db2.gz MLFIQLGEARHOMD-CABCVRRESA-N 0 1 348.399 3.157 10 5 EGBEMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](C2CCC2)C1 ZINC000598398955 459890185 /nfs/dbraw/zinc/89/01/85/459890185.db2.gz GUZJMRFMBWBBDR-GFCCVEGCSA-N 0 1 328.372 3.123 10 5 EGBEMN CC[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCCO1 ZINC000594040583 460069670 /nfs/dbraw/zinc/06/96/70/460069670.db2.gz HCADAKPZTLAKSE-GJZGRUSLSA-N 0 1 346.387 3.082 10 5 EGBEMN O=C(N[C@H](C(F)F)C1CCCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000598912499 460091567 /nfs/dbraw/zinc/09/15/67/460091567.db2.gz DTTYBWSUXZRKGI-ZDUSSCGKSA-N 0 1 328.315 3.244 10 5 EGBEMN CCC1(N2CCOCC2)CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000599082412 460154806 /nfs/dbraw/zinc/15/48/06/460154806.db2.gz BQDZDPLEMMXTMQ-INIZCTEOSA-N 0 1 347.459 3.233 10 5 EGBEMN CCC[C@H](N[C@H]1CCN(C2CCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000599092078 460159075 /nfs/dbraw/zinc/15/90/75/460159075.db2.gz FBHIXQYUNULPOS-IRXDYDNUSA-N 0 1 331.416 3.179 10 5 EGBEMN C[C@]12CCCC[C@H]1CN2Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000599676125 460306284 /nfs/dbraw/zinc/30/62/84/460306284.db2.gz YTVNPKUMNZIPEP-GUYCJALGSA-N 0 1 328.372 3.409 10 5 EGBEMN CC(C)(C)C1=CCN(CCNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601461356 460815223 /nfs/dbraw/zinc/81/52/23/460815223.db2.gz BNZBRQRLBLXHLU-UHFFFAOYSA-N 0 1 349.406 3.142 10 5 EGBEMN CC[C@@H](NCC(=O)Nc1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181533939 529154721 /nfs/dbraw/zinc/15/47/21/529154721.db2.gz GRIYAQRHGBMOSK-QGZVFWFLSA-N 0 1 343.383 3.283 10 5 EGBEMN CCc1ccc(C(=O)Nc2cccc(-c3nnc[nH]3)c2)cc1[N+](=O)[O-] ZINC000369950588 547786793 /nfs/dbraw/zinc/78/67/93/547786793.db2.gz CVEVESGWZIVXEC-UHFFFAOYSA-N 0 1 337.339 3.195 10 5 EGBEMN O=[N+]([O-])c1cccc(-c2ncn(CN3CCC4(C3)CCCCC4)n2)c1 ZINC000172937999 1294450396 /nfs/dbraw/zinc/45/03/96/1294450396.db2.gz JCNGFXVLWGLGPW-UHFFFAOYSA-N 0 1 341.415 3.467 10 5 EGBEMN CC(C)c1ccc(CN2C[C@@H](O)CC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000895721636 1309489854 /nfs/dbraw/zinc/48/98/54/1309489854.db2.gz DURXVQFTWCYQDO-INIZCTEOSA-N 0 1 348.443 3.082 10 5 EGBEMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922461259 1322533142 /nfs/dbraw/zinc/53/31/42/1322533142.db2.gz KQVXKCZHTHMLHF-JSGCOSHPSA-N 0 1 348.321 3.193 10 5 EGBEMN CC[C@H](C)N1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000861920903 1329450681 /nfs/dbraw/zinc/45/06/81/1329450681.db2.gz TXQJJBWDLONJGV-AWEZNQCLSA-N 0 1 341.411 3.304 10 5 EGBEMN CC1(C)CCC(C)(C)N(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001196274272 1368581834 /nfs/dbraw/zinc/58/18/34/1368581834.db2.gz DVLGXSGJPZIFME-UHFFFAOYSA-N 0 1 345.443 3.385 10 5 EGBEMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC=CC12CCCCC2 ZINC001198801651 1369117644 /nfs/dbraw/zinc/11/76/44/1369117644.db2.gz VHTKSLTXJHKUIC-UHFFFAOYSA-N 0 1 329.400 3.416 10 5 EGBEMN COc1ccnc(CSCc2cc(O)ccc2[N+](=O)[O-])c1OC ZINC001327221010 1388449328 /nfs/dbraw/zinc/44/93/28/1388449328.db2.gz ICXCECDICODYDR-UHFFFAOYSA-N 0 1 336.369 3.146 10 5 EGBEMN CC(C)c1nc(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])n[nH]1 ZINC001143273500 1378572465 /nfs/dbraw/zinc/57/24/65/1378572465.db2.gz BVFNCACWMFUKSC-UHFFFAOYSA-N 0 1 337.767 3.061 10 5 EGBEMN CC(C)c1n[nH]c(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])n1 ZINC001143273500 1378572466 /nfs/dbraw/zinc/57/24/66/1378572466.db2.gz BVFNCACWMFUKSC-UHFFFAOYSA-N 0 1 337.767 3.061 10 5 EGBEMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2cncn2c1 ZINC001304166105 1383836547 /nfs/dbraw/zinc/83/65/47/1383836547.db2.gz QPLMCFPNOYFTRL-LLVKDONJSA-N 0 1 342.380 3.362 10 5 EGBEMN Nc1cc(CCCCNc2ncnc3sc([N+](=O)[O-])cc32)ccn1 ZINC001307218873 1383959326 /nfs/dbraw/zinc/95/93/26/1383959326.db2.gz GMASVUFTXNRTPL-UHFFFAOYSA-N 0 1 344.400 3.012 10 5 EGBEMN CCN(CCNC(=O)c1cccc(C)c1)Cc1cccc([N+](=O)[O-])c1 ZINC001317476643 1385172341 /nfs/dbraw/zinc/17/23/41/1385172341.db2.gz XCEGCYZQRMSVHK-UHFFFAOYSA-N 0 1 341.411 3.155 10 5 EGBEMN CC(C)=CC(=O)NC1(CNCc2csc([N+](=O)[O-])c2)CCCC1 ZINC001318611771 1385794045 /nfs/dbraw/zinc/79/40/45/1385794045.db2.gz BGFOCZKCBPGWGM-UHFFFAOYSA-N 0 1 337.445 3.141 10 5 EGBEMN O=C(NC/C=C\CNCc1cccc([N+](=O)[O-])c1)C1=CCCCCC1 ZINC001321041444 1386791816 /nfs/dbraw/zinc/79/18/16/1386791816.db2.gz LPQGTJDFXVUWHV-WAYWQWQTSA-N 0 1 343.427 3.247 10 5 EGBEMN O=[N+]([O-])c1cccc(-c2cnn(CN3CCC[C@@H](CCF)C3)c2)c1 ZINC001333723050 1390384053 /nfs/dbraw/zinc/38/40/53/1390384053.db2.gz SKGATGNBCDZQOI-AWEZNQCLSA-N 0 1 332.379 3.487 10 5 EGBEMN O=[N+]([O-])c1cccc(-c2cnn(CN3CCC[C@H](CCF)C3)c2)c1 ZINC001333723051 1390384202 /nfs/dbraw/zinc/38/42/02/1390384202.db2.gz SKGATGNBCDZQOI-CQSZACIVSA-N 0 1 332.379 3.487 10 5 EGBEMN Cc1cnc(N[C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001341111871 1390441975 /nfs/dbraw/zinc/44/19/75/1390441975.db2.gz NHWSRTCGQHSBOM-GDBMZVCRSA-N 0 1 330.363 3.295 10 5 EGBEMN Cc1ccn2c[nH+]c(C(=O)[N-]c3cc([N+](=O)[O-])c(F)cc3F)c2c1 ZINC001352372459 1391789625 /nfs/dbraw/zinc/78/96/25/1391789625.db2.gz XUYCTKABBUSATG-UHFFFAOYSA-N 0 1 332.266 3.081 10 5 EGBEMN CCC1(C(=O)NCC2(NCc3ccc([N+](=O)[O-])cc3)CC2)CCCC1 ZINC001699667488 1413054857 /nfs/dbraw/zinc/05/48/57/1413054857.db2.gz PTTYNDVPDIPDDL-UHFFFAOYSA-N 0 1 345.443 3.304 10 5 EGBEMN CCCCC(=O)NC1(C)CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001699764659 1413169789 /nfs/dbraw/zinc/16/97/89/1413169789.db2.gz GXLAUZJQNSRXEF-UHFFFAOYSA-N 0 1 333.432 3.256 10 5 EGBEMN CN(C(=O)CC(C)(C)C)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001713050521 1417602024 /nfs/dbraw/zinc/60/20/24/1417602024.db2.gz VFVPGYLRNKJEMF-UHFFFAOYSA-N 0 1 347.459 3.454 10 5 EGBEMN Cc1cccc(C)c1C(=O)NCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001713468857 1418134482 /nfs/dbraw/zinc/13/44/82/1418134482.db2.gz PAIKSARGHJQMRV-UHFFFAOYSA-N 0 1 341.411 3.073 10 5 EGBEMN CC(C)(C(=O)NCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC001713561220 1418362021 /nfs/dbraw/zinc/36/20/21/1418362021.db2.gz ISUXJYKGPIATAQ-UHFFFAOYSA-N 0 1 345.443 3.112 10 5 EGBEMN CC/C=C(\C)C(=O)NC1(C)CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001733354967 1429535596 /nfs/dbraw/zinc/53/55/96/1429535596.db2.gz GOQIJTQIFTWMMF-PJQLUOCWSA-N 0 1 345.443 3.422 10 5 EGBEMN COc1ccccc1Oc1ncnc(Nc2ccncc2)c1[N+](=O)[O-] ZINC000040586496 213355372 /nfs/dbraw/zinc/35/53/72/213355372.db2.gz KXTZIRPNYSESMC-UHFFFAOYSA-N 0 1 339.311 3.324 10 5 EGBEMN Cc1ccccc1NS(=O)(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000020491930 212139211 /nfs/dbraw/zinc/13/92/11/212139211.db2.gz YDKFHAMOBQYKKL-UHFFFAOYSA-N 0 1 331.353 3.185 10 5 EGBEMN COc1ccc([C@@H](CO)N(C)Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000183348589 533127607 /nfs/dbraw/zinc/12/76/07/533127607.db2.gz CQJBYFZBVXOCAT-GOSISDBHSA-N 0 1 330.384 3.077 10 5 EGBEMN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cn1 ZINC000347882221 141210108 /nfs/dbraw/zinc/21/01/08/141210108.db2.gz ZAJLQQZKEZPTEZ-CQSZACIVSA-N 0 1 336.355 3.116 10 5 EGBEMN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cn1 ZINC000347882221 141210109 /nfs/dbraw/zinc/21/01/09/141210109.db2.gz ZAJLQQZKEZPTEZ-CQSZACIVSA-N 0 1 336.355 3.116 10 5 EGBEMN CC(C)c1[nH]ncc1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000189290775 153061547 /nfs/dbraw/zinc/06/15/47/153061547.db2.gz CVZZEUCHTYKSLC-UHFFFAOYSA-N 0 1 340.343 3.084 10 5 EGBEMN CC1=CCN(CCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000339978805 155058559 /nfs/dbraw/zinc/05/85/59/155058559.db2.gz SWVHWEODNUCPBC-UHFFFAOYSA-N 0 1 330.310 3.073 10 5 EGBEMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(N(C)c2cccnn2)CC1 ZINC000105806595 162058550 /nfs/dbraw/zinc/05/85/50/162058550.db2.gz QPOWZMGPUQPFBS-CQSZACIVSA-N 0 1 341.415 3.047 10 5 EGBEMN C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCCO1 ZINC000113321119 162208798 /nfs/dbraw/zinc/20/87/98/162208798.db2.gz UEPZMGGVEWOJSQ-XHDPSFHLSA-N 0 1 333.413 3.375 10 5 EGBEMN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nn1 ZINC000150895735 162558408 /nfs/dbraw/zinc/55/84/08/162558408.db2.gz OYCJSOHQBUPFDY-AWEZNQCLSA-N 0 1 337.383 3.069 10 5 EGBEMN COc1ccc(NC(=O)[C@H](C)N2CCC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000343960086 164073120 /nfs/dbraw/zinc/07/31/20/164073120.db2.gz HTSMDJBEMPLUHC-JSGCOSHPSA-N 0 1 347.415 3.052 10 5 EGBEMN CN(C)[C@H]1CCOc2c(NC(=O)c3csc([N+](=O)[O-])c3)cccc21 ZINC000345552683 164213445 /nfs/dbraw/zinc/21/34/45/164213445.db2.gz VQAVMSSCAGZXGZ-ZDUSSCGKSA-N 0 1 347.396 3.294 10 5 EGBEMN CC(C)(C)C1=CCN(CCNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000354894478 166058115 /nfs/dbraw/zinc/05/81/15/166058115.db2.gz XXXNWMDSQKIEMP-UHFFFAOYSA-N 0 1 337.445 3.064 10 5 EGBEMN C[N@@H+]1CC[C@@H](NCc2cc(F)ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000367389688 168218725 /nfs/dbraw/zinc/21/87/25/168218725.db2.gz WOMYRJNSAFZLKP-SJLPKXTDSA-N 0 1 329.375 3.269 10 5 EGBEMN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274340357 267220612 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/nfs/dbraw/zinc/15/13/51/164151351.db2.gz LRGATKWGWGHMPU-UHFFFAOYSA-N 0 1 347.071 3.481 10 5 EGBEMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(CCO)Cc1ccc(C)o1 ZINC000355656708 166274576 /nfs/dbraw/zinc/27/45/76/166274576.db2.gz KKVZANMRZWOMQW-UVTDQMKNSA-N 0 1 330.384 3.394 10 5 EGBEMN C[C@@H]1CC[C@]2(CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)C1 ZINC000359311435 167122741 /nfs/dbraw/zinc/12/27/41/167122741.db2.gz UKMBPBLTHGYNKC-ACJLOTCBSA-N 0 1 332.400 3.473 10 5 EGBEMN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359538912 167184272 /nfs/dbraw/zinc/18/42/72/167184272.db2.gz BDOLCLLMRBRHNB-QWQRMKEZSA-N 0 1 331.416 3.434 10 5 EGBEMN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359538912 167184276 /nfs/dbraw/zinc/18/42/76/167184276.db2.gz BDOLCLLMRBRHNB-QWQRMKEZSA-N 0 1 331.416 3.434 10 5 EGBEMN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc(-c3nnc[nH]3)c2)c1F ZINC000367406733 168221294 /nfs/dbraw/zinc/22/12/94/168221294.db2.gz ZYMKZHQGXLUYCG-UHFFFAOYSA-N 0 1 341.302 3.080 10 5 EGBEMN C[C@@H](NC(=O)c1[nH]nc2c1CCCCC2)c1ccccc1[N+](=O)[O-] ZINC000276490870 275253604 /nfs/dbraw/zinc/25/36/04/275253604.db2.gz ADFCZSXMZYWNFM-LLVKDONJSA-N 0 1 328.372 3.078 10 5 EGBEMN C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H]2CCCC[C@@H]12 ZINC000248383789 308001509 /nfs/dbraw/zinc/00/15/09/308001509.db2.gz BLHFECSMEZAGDN-GMXABZIVSA-N 0 1 328.372 3.122 10 5 EGBEMN CN(C)C(=O)C1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000414487879 309083831 /nfs/dbraw/zinc/08/38/31/309083831.db2.gz PUNJOLXMJQKXBF-UHFFFAOYSA-N 0 1 345.424 3.034 10 5 EGBEMN Cc1nc([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])c(C)cc2C)n[nH]1 ZINC000421794092 309340369 /nfs/dbraw/zinc/34/03/69/309340369.db2.gz ZTCHDWZLNYBVCD-CQSZACIVSA-N 0 1 343.387 3.006 10 5 EGBEMN CCOc1cc(N[C@H](c2nnc[nH]2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000489915332 311125036 /nfs/dbraw/zinc/12/50/36/311125036.db2.gz NZVRELSIIPPREC-INIZCTEOSA-N 0 1 339.355 3.313 10 5 EGBEMN COc1ccc(C2(NCc3ccc([N+](=O)[O-])c(OC)c3)CC2)cc1 ZINC000492853993 311299186 /nfs/dbraw/zinc/29/91/86/311299186.db2.gz SILQPJIWMYFBFY-UHFFFAOYSA-N 0 1 328.368 3.391 10 5 EGBEMN COc1cccc([C@@H](C)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000505635575 312029116 /nfs/dbraw/zinc/02/91/16/312029116.db2.gz KCZIRORPWHJMSG-OAHLLOKOSA-N 0 1 341.411 3.487 10 5 EGBEMN O=C(N[C@H]1CCc2c1cccc2F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000055692472 454006803 /nfs/dbraw/zinc/00/68/03/454006803.db2.gz QUJKNAOOBQOOGF-AWEZNQCLSA-N 0 1 340.314 3.028 10 5 EGBEMN C[C@H](NCc1cn(C)nc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000090666252 454333843 /nfs/dbraw/zinc/33/38/43/454333843.db2.gz ZWATVRMCYKOMCD-VIFPVBQESA-N 0 1 328.294 3.198 10 5 EGBEMN CCOc1ccc(C(=O)Nc2ccc3c(C)[nH]nc3c2)cc1[N+](=O)[O-] ZINC000091836843 454479525 /nfs/dbraw/zinc/47/95/25/454479525.db2.gz AFOXFAOFHRRKCB-UHFFFAOYSA-N 0 1 340.339 3.431 10 5 EGBEMN O=C(NC1C2CC3CC(C2)CC1C3)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000122804417 454570451 /nfs/dbraw/zinc/57/04/51/454570451.db2.gz GGKUBWIOKPDQLJ-UHFFFAOYSA-N 0 1 340.383 3.026 10 5 EGBEMN Cc1ccc([C@@H](C)NCc2cccnc2-n2ccnc2)cc1[N+](=O)[O-] ZINC000151501856 454994332 /nfs/dbraw/zinc/99/43/32/454994332.db2.gz WOFJGELSOTXXCD-CQSZACIVSA-N 0 1 337.383 3.335 10 5 EGBEMN CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000225548320 456092193 /nfs/dbraw/zinc/09/21/93/456092193.db2.gz QZFXXYYFKDPESA-HNNXBMFYSA-N 0 1 333.435 3.412 10 5 EGBEMN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cc3cn[nH]c3cc2C)c1 ZINC000302644227 456368667 /nfs/dbraw/zinc/36/86/67/456368667.db2.gz ABQABAKZFLMGFR-UHFFFAOYSA-N 0 1 326.312 3.310 10 5 EGBEMN C[C@@](CO)(NCc1ccccc1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000601149190 460732633 /nfs/dbraw/zinc/73/26/33/460732633.db2.gz KOMZAFQOBMICID-IBGZPJMESA-N 0 1 326.396 3.470 10 5 EGBEMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000339090555 456936967 /nfs/dbraw/zinc/93/69/67/456936967.db2.gz KICHDZGZKQMMAD-IBGZPJMESA-N 0 1 340.379 3.322 10 5 EGBEMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000339090555 456936971 /nfs/dbraw/zinc/93/69/71/456936971.db2.gz KICHDZGZKQMMAD-IBGZPJMESA-N 0 1 340.379 3.322 10 5 EGBEMN CC1(C)[C@@H](O)CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000361078880 457568504 /nfs/dbraw/zinc/56/85/04/457568504.db2.gz JVEXXEAECFVHQI-AWEZNQCLSA-N 0 1 333.413 3.064 10 5 EGBEMN O=[N+]([O-])c1ccc(CN[C@@H](c2nnc[nH]2)c2ccccc2)c(Cl)c1 ZINC000375185555 457825148 /nfs/dbraw/zinc/82/51/48/457825148.db2.gz AIADKEJWVFYLHX-OAHLLOKOSA-N 0 1 343.774 3.246 10 5 EGBEMN Cc1ccc(C[C@@H](C)N(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1 ZINC000433765370 457881312 /nfs/dbraw/zinc/88/13/12/457881312.db2.gz HNWQTPUQTULVCU-CYBMUJFWSA-N 0 1 344.415 3.453 10 5 EGBEMN Cc1ccc(CN2CC[C@@H](c3nc(C4CC4)no3)C2)cc1[N+](=O)[O-] ZINC000375406507 457918276 /nfs/dbraw/zinc/91/82/76/457918276.db2.gz UKESIOIKKNEZSQ-CQSZACIVSA-N 0 1 328.372 3.153 10 5 EGBEMN CC[C@H](NC(=O)N1CCN(CC)C[C@@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000458506328 458074115 /nfs/dbraw/zinc/07/41/15/458074115.db2.gz NPKCVKOAYYDQLF-RDJZCZTQSA-N 0 1 348.447 3.172 10 5 EGBEMN O=C([O-])[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000566510601 458951816 /nfs/dbraw/zinc/95/18/16/458951816.db2.gz WDZZVJUXRHFMMD-NVXWUHKLSA-N 0 1 332.400 3.450 10 5 EGBEMN C[C@H](CNc1ccnc2cc([N+](=O)[O-])ccc21)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594589104 459099042 /nfs/dbraw/zinc/09/90/42/459099042.db2.gz HWYMNHGRYISIMG-MCIONIFRSA-N 0 1 344.415 3.053 10 5 EGBEMN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H](C)n2ncnc21 ZINC000595074913 459238702 /nfs/dbraw/zinc/23/87/02/459238702.db2.gz WRGJGNRYZAWFPF-YNEHKIRRSA-N 0 1 347.444 3.353 10 5 EGBEMN COc1ccnc(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1F ZINC000595082390 459239729 /nfs/dbraw/zinc/23/97/29/459239729.db2.gz ZKKKEOPIZIYNCD-CQSZACIVSA-N 0 1 345.374 3.248 10 5 EGBEMN CN(Cc1ccc(F)cc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000595523890 459334620 /nfs/dbraw/zinc/33/46/20/459334620.db2.gz VSRQDDDMOPSTLS-UHFFFAOYSA-N 0 1 349.328 3.192 10 5 EGBEMN O=[N+]([O-])c1cccc(Br)c1N1CCCc2[nH]ncc2C1 ZINC000596000570 459492696 /nfs/dbraw/zinc/49/26/96/459492696.db2.gz CMBXVQDIKXTULG-UHFFFAOYSA-N 0 1 337.177 3.033 10 5 EGBEMN CCCc1[nH]nc(C(=O)N2CC3(CC=CC3)[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000592898782 459715841 /nfs/dbraw/zinc/71/58/41/459715841.db2.gz ADXSEGFFFBSFGA-HNNXBMFYSA-N 0 1 332.404 3.087 10 5 EGBEMN COCCC1CN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000597184365 459866813 /nfs/dbraw/zinc/86/68/13/459866813.db2.gz SVVHDVJEDXHIKQ-UHFFFAOYSA-N 0 1 346.383 3.332 10 5 EGBEMN C[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)[C@H]1O ZINC000597206200 459876463 /nfs/dbraw/zinc/87/64/63/459876463.db2.gz RIKYCTFQDNHBAI-ATCWAGBWSA-N 0 1 347.440 3.167 10 5 EGBEMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC2CC1(c1ccccc1)C2 ZINC000598553733 459934805 /nfs/dbraw/zinc/93/48/05/459934805.db2.gz BATQKOULYHGLHI-UHFFFAOYSA-N 0 1 348.362 3.232 10 5 EGBEMN C[C@@H](NC[C@@H](n1cccn1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000599056081 460143356 /nfs/dbraw/zinc/14/33/56/460143356.db2.gz JELMEOMCMHZNMP-ZWNOBZJWSA-N 0 1 328.294 3.246 10 5 EGBEMN Cn1ccnc1[C@@H](NC[C@]1(C)C[C@H]2C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000599080503 460153845 /nfs/dbraw/zinc/15/38/45/460153845.db2.gz GZLCKYAMNMUWBZ-HIRMHNASSA-N 0 1 340.427 3.444 10 5 EGBEMN C[C@@H]1CC[C@@]2(CCN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000611623339 460417626 /nfs/dbraw/zinc/41/76/26/460417626.db2.gz ZAAQCPSCRFPNCA-FZKQIMNGSA-N 0 1 332.400 3.378 10 5 EGBEMN CC[S@](=O)[C@@H]1CCC[C@H](N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872041710 1296691402 /nfs/dbraw/zinc/69/14/02/1296691402.db2.gz KIFFANMMJFYSNL-UTIWYLSVSA-N 0 1 342.436 3.464 10 5 EGBEMN C[C@@H](N[C@H](CCO)Cc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872068764 1296715126 /nfs/dbraw/zinc/71/51/26/1296715126.db2.gz IGLXGSSXTKEZOY-UKRRQHHQSA-N 0 1 332.375 3.378 10 5 EGBEMN C[C@@H](NC[C@H](CO)c1ccc(F)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077735 1296721465 /nfs/dbraw/zinc/72/14/65/1296721465.db2.gz AIBUAQBMCLWMBE-DGCLKSJQSA-N 0 1 336.338 3.300 10 5 EGBEMN COc1cc(CN2CC[C@H](c3nccs3)C2)c([N+](=O)[O-])cc1OC ZINC000895582063 1309413064 /nfs/dbraw/zinc/41/30/64/1309413064.db2.gz DXOVZVOJOBZQKQ-NSHDSACASA-N 0 1 349.412 3.058 10 5 EGBEMN Cc1ccc(O[C@H]2CCN(Cc3ccc(C)c([N+](=O)[O-])c3)C2)nc1 ZINC000858012327 1328657842 /nfs/dbraw/zinc/65/78/42/1328657842.db2.gz ZSJSDFHGXDXDML-INIZCTEOSA-N 0 1 327.384 3.260 10 5 EGBEMN O=[N+]([O-])c1cccc(Br)c1CN[C@]12CCC[C@H]1OCC2 ZINC000931563574 1329144663 /nfs/dbraw/zinc/14/46/63/1329144663.db2.gz OAPDSOOMPLDPNU-KGLIPLIRSA-N 0 1 341.205 3.159 10 5 EGBEMN C[C@@H](NC[C@@H]1CCC2(CCOCC2)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000927016323 1327821646 /nfs/dbraw/zinc/82/16/46/1327821646.db2.gz KADBOLWMOUSVMZ-OLZOCXBDSA-N 0 1 338.379 3.113 10 5 EGBEMN CCOC(=O)c1[nH]c(C)c(CNCc2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000865787489 1329738538 /nfs/dbraw/zinc/73/85/38/1329738538.db2.gz OHRBKTZXGODREK-UHFFFAOYSA-N 0 1 345.399 3.315 10 5 EGBEMN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC001323325637 1387338994 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341.415 3.073 10 5 EGBEMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987921 460211407 /nfs/dbraw/zinc/21/14/07/460211407.db2.gz VZRLMPAENNHKFR-COPLHBTASA-N 0 1 332.322 3.067 10 5 EGBEMN COc1cc([N+](=O)[O-])ccc1CN1CCC(c2cccnc2)CC1 ZINC000619531711 460377018 /nfs/dbraw/zinc/37/70/18/460377018.db2.gz KMRASZHDIRWPBJ-UHFFFAOYSA-N 0 1 327.384 3.378 10 5 EGBEMN COc1cc(CNC(C)(C)C(=O)Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000611516609 460385081 /nfs/dbraw/zinc/38/50/81/460385081.db2.gz JWVCOZSGHNAGIF-UHFFFAOYSA-N 0 1 343.383 3.110 10 5 EGBEMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCO[C@@H](C(F)F)CC1 ZINC000601972718 460967579 /nfs/dbraw/zinc/96/75/79/460967579.db2.gz NLCULUPWMDFSCU-SAAWKEMMSA-N 0 1 326.343 3.354 10 5 EGBEMN COC(=O)c1ccc(OCc2ccc3nc(C)[nH]c3c2)cc1[N+](=O)[O-] ZINC000613453037 548120785 /nfs/dbraw/zinc/12/07/85/548120785.db2.gz PDWUUSKXZZAIPE-UHFFFAOYSA-N 0 1 341.323 3.145 10 5 EGBEMN C[C@H](NC1CCN(CC(F)(F)F)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872030913 1296679113 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ZINC001170425886 1384315594 /nfs/dbraw/zinc/31/55/94/1384315594.db2.gz UKABFSLORUJFHA-CQSZACIVSA-N 0 1 342.355 3.278 10 5 EGBEMN COC(=O)C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)C(C)(C)C ZINC001176463665 1385596300 /nfs/dbraw/zinc/59/63/00/1385596300.db2.gz NPCKKSFOTZDYTN-ZDUSSCGKSA-N 0 1 328.796 3.316 10 5 EGBEMN CC(C(=O)N(C)CCN(C)Cc1ccc([N+](=O)[O-])cc1)=C1CCCC1 ZINC001319988987 1386436639 /nfs/dbraw/zinc/43/66/39/1386436639.db2.gz BZYAWQLATQBUGM-UHFFFAOYSA-N 0 1 345.443 3.376 10 5 EGBEMN CCCC(=O)NC1(CNCc2csc([N+](=O)[O-])c2)CCCCC1 ZINC001329801438 1389227542 /nfs/dbraw/zinc/22/75/42/1389227542.db2.gz TWSGALRUEUNTLN-UHFFFAOYSA-N 0 1 339.461 3.365 10 5 EGBEMN CCC(CC)CC(=O)N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001713204319 1417774854 /nfs/dbraw/zinc/77/48/54/1417774854.db2.gz QXQPVHNQGKNGGH-OKILXGFUSA-N 0 1 339.461 3.219 10 5 EGBEMN O=C(CC1CCCC1)NCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001714661173 1419446987 /nfs/dbraw/zinc/44/69/87/1419446987.db2.gz OBGJJJMYSADQEP-UHFFFAOYSA-N 0 1 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CCCc1[nH]nc(C(=O)N2CC=C(c3cccs3)CC2)c1[N+](=O)[O-] ZINC000117989845 152122978 /nfs/dbraw/zinc/12/29/78/152122978.db2.gz OSHSSOMYEMNQSQ-UHFFFAOYSA-N 0 1 346.412 3.261 10 5 EGBEMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCOCC4(CC4)C3)o2)cc1 ZINC000341565121 155358093 /nfs/dbraw/zinc/35/80/93/155358093.db2.gz NBFNIQQFPSPYLR-UHFFFAOYSA-N 0 1 328.368 3.467 10 5 EGBEMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114438022 162232439 /nfs/dbraw/zinc/23/24/39/162232439.db2.gz ANZZQJWWCFMPNR-SFHVURJKSA-N 0 1 340.383 3.434 10 5 EGBEMN C[NH+](C)Cc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1Cl ZINC000355494280 166220758 /nfs/dbraw/zinc/22/07/58/166220758.db2.gz DPFYYXHJVMIZEN-UHFFFAOYSA-N 0 1 349.774 3.268 10 5 EGBEMN Cc1cc(N2CC=C(c3ccnn3C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000286715868 276036144 /nfs/dbraw/zinc/03/61/44/276036144.db2.gz ZOHSEJPYYWLVGI-UHFFFAOYSA-N 0 1 349.394 3.479 10 5 EGBEMN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)COC3)c(C)cc1[N+](=O)[O-] ZINC000414379845 309076616 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Cc1[nH]nc2cc(NC(=O)CCOc3ccccc3[N+](=O)[O-])ccc12 ZINC000180344975 455159948 /nfs/dbraw/zinc/15/99/48/455159948.db2.gz WKDNWYPESBYQFX-UHFFFAOYSA-N 0 1 340.339 3.187 10 5 EGBEMN Cc1cc(C[C@H](C)NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n[nH]1 ZINC000158221676 455280992 /nfs/dbraw/zinc/28/09/92/455280992.db2.gz BKQKCIXYJQCYCE-QMMMGPOBSA-N 0 1 337.767 3.032 10 5 EGBEMN CC[C@@H](NCC(=O)NCc1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000181541291 455352591 /nfs/dbraw/zinc/35/25/91/455352591.db2.gz ITGDOHBVFHTHFJ-GOSISDBHSA-N 0 1 341.411 3.260 10 5 EGBEMN CC[C@H](NCC(=O)N[C@@H]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000245881032 455390977 /nfs/dbraw/zinc/39/09/77/455390977.db2.gz NRIRXVLKENMADS-XOKHGSTOSA-N 0 1 333.432 3.330 10 5 EGBEMN CC(C)c1[nH]nc(C(=O)N(C)Cc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000269350218 455840738 /nfs/dbraw/zinc/84/07/38/455840738.db2.gz RQJQNGOBYWCQKU-UHFFFAOYSA-N 0 1 336.779 3.367 10 5 EGBEMN CCc1nc(C2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000302725239 456384996 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EGBEMN COc1ccc(CN[C@@H](c2cnn(C)c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000342344485 457248513 /nfs/dbraw/zinc/24/85/13/457248513.db2.gz NXBOMMQCPQMLGX-INIZCTEOSA-N 0 1 332.404 3.214 10 5 EGBEMN C[C@@H](N[C@@H](c1cccnc1)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000347356802 457371287 /nfs/dbraw/zinc/37/12/87/457371287.db2.gz XKGVBPCBMLDGAV-SJKOYZFVSA-N 0 1 340.383 3.058 10 5 EGBEMN O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)c1n[nH]cc1[N+](=O)[O-] ZINC000408513725 457572735 /nfs/dbraw/zinc/57/27/35/457572735.db2.gz NRQWVDGKZZXQSL-UHFFFAOYSA-N 0 1 346.730 3.161 10 5 EGBEMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[C@H]1c1nnc[nH]1 ZINC000408522732 457578639 /nfs/dbraw/zinc/57/86/39/457578639.db2.gz CRKCYBCOWNEMHM-JTQLQIEISA-N 0 1 327.266 3.073 10 5 EGBEMN CCCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H]1CCCCO1 ZINC000444662895 457931518 /nfs/dbraw/zinc/93/15/18/457931518.db2.gz XCICUBMZXXIWDU-CQSZACIVSA-N 0 1 332.404 3.252 10 5 EGBEMN COCC[C@@H]1CCCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444680068 457937435 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460461693 /nfs/dbraw/zinc/46/16/93/460461693.db2.gz BRDVYTIBVKHBSB-UKRRQHHQSA-N 0 1 326.400 3.206 10 5 EGBEMN Cc1[nH]nc(C(=O)N2CCC[C@@]2(C)Cc2cccc(C)c2)c1[N+](=O)[O-] ZINC000601869704 460931423 /nfs/dbraw/zinc/93/14/23/460931423.db2.gz JVZZDWKXAHPHAU-SFHVURJKSA-N 0 1 342.399 3.172 10 5 EGBEMN O=C(Nc1cnn(-c2ccncc2)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000727094965 574647983 /nfs/dbraw/zinc/64/79/83/574647983.db2.gz PTOONSRIWKTCPG-UHFFFAOYSA-N 0 1 343.730 3.081 10 5 EGBEMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000869926585 1295541747 /nfs/dbraw/zinc/54/17/47/1295541747.db2.gz KFDAPHOHFZSGNO-OASPWFOLSA-N 0 1 346.280 3.173 10 5 EGBEMN COc1ccc([C@@H](O)CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872022371 1296666175 /nfs/dbraw/zinc/66/61/75/1296666175.db2.gz YEDITTXHYVXOFX-ZBEGNZNMSA-N 0 1 334.347 3.127 10 5 EGBEMN C[C@H](N[C@H]1CCN(CC(F)(F)F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872029186 1296677973 /nfs/dbraw/zinc/67/79/73/1296677973.db2.gz OTNVEOXCCBEZOU-UWVGGRQHSA-N 0 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10 5 EGBEMN O=C(NC[C@@H]1CCN1C1CCCCCC1)c1ccc([N+](=O)[O-])s1 ZINC001132400382 1375353613 /nfs/dbraw/zinc/35/36/13/1375353613.db2.gz IKMRWKGTCCSGOJ-ZDUSSCGKSA-N 0 1 337.445 3.183 10 5 EGBEMN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1nc2ccc(Cl)cc2[nH]1 ZINC001133190837 1375831568 /nfs/dbraw/zinc/83/15/68/1375831568.db2.gz UYGNJDWQVDYMCX-UHFFFAOYSA-N 0 1 348.721 3.445 10 5 EGBEMN CC(C)Oc1nc(NCCCCc2ccnc(N)c2)ccc1[N+](=O)[O-] ZINC001307219185 1383959729 /nfs/dbraw/zinc/95/97/29/1383959729.db2.gz LWJMKMYNFAXRQF-UHFFFAOYSA-N 0 1 345.403 3.189 10 5 EGBEMN O=C(NC1(CNCc2csc([N+](=O)[O-])c2)CCCC1)C1CC=CC1 ZINC001698626876 1406269101 /nfs/dbraw/zinc/26/91/01/1406269101.db2.gz HGEWHOCTRGILDA-UHFFFAOYSA-N 0 1 349.456 3.141 10 5 EGBEMN CC(C)=C(C)CC(=O)NCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001481181068 1393143146 /nfs/dbraw/zinc/14/31/46/1393143146.db2.gz KACYJZYKNPFVKS-UHFFFAOYSA-N 0 1 345.443 3.422 10 5 EGBEMN CCc1ccccc1C(=O)N(C)CCNCc1ccccc1[N+](=O)[O-] ZINC001481273546 1393156117 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CCC(C)(CC)C(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC001723594836 1424480726 /nfs/dbraw/zinc/48/07/26/1424480726.db2.gz HAURQHKYNMWBOE-UHFFFAOYSA-N 0 1 333.432 3.160 10 5 EGBEMN C/C=C(\C)C(=O)NC1(C)CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001723996890 1424620638 /nfs/dbraw/zinc/62/06/38/1424620638.db2.gz BIPJYPGFNSMLLH-LNKIKWGQSA-N 0 1 331.416 3.032 10 5 EGBEMN Cc1cccc(Nc2[nH]cnc(=NNc3ccccc3)c2[N+](=O)[O-])n1 ZINC000040584638 213355499 /nfs/dbraw/zinc/35/54/99/213355499.db2.gz KSHCUYMNYQLJST-UHFFFAOYSA-N 0 1 337.343 3.271 10 5 EGBEMN O=[N+]([O-])c1cccc(-c2ccc(CN3CCOCC4(CC4)C3)o2)c1 ZINC000341522376 155332869 /nfs/dbraw/zinc/33/28/69/155332869.db2.gz DHUXNDBCDWBDQQ-UHFFFAOYSA-N 0 1 328.368 3.467 10 5 EGBEMN CN(C)[C@@H]1CCOc2c(NC(=O)c3cccc([N+](=O)[O-])c3)cccc21 ZINC000345517021 156131211 /nfs/dbraw/zinc/13/12/11/156131211.db2.gz FTEVMULJZKJYSE-MRXNPFEDSA-N 0 1 341.367 3.232 10 5 EGBEMN Cc1noc(C)c1CO[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000368844557 157304382 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332.331 3.013 10 5 EGBEMN COc1cccc(C2(NCc3ccc([N+](=O)[O-])c(OC)c3)CC2)c1 ZINC000510140776 312133967 /nfs/dbraw/zinc/13/39/67/312133967.db2.gz VCNGGAKQMAPCHF-UHFFFAOYSA-N 0 1 328.368 3.391 10 5 EGBEMN COc1cccc([N+](=O)[O-])c1N1CCN(Cc2ccccc2C)CC1 ZINC000563774178 316066528 /nfs/dbraw/zinc/06/65/28/316066528.db2.gz KPSIGNFMLIJZTK-UHFFFAOYSA-N 0 1 341.411 3.234 10 5 EGBEMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCO[C@]2(CCSC2)C1 ZINC000578771015 325016527 /nfs/dbraw/zinc/01/65/27/325016527.db2.gz CGJBTHGWVIAKRN-CRPZLVSXSA-N 0 1 334.441 3.206 10 5 EGBEMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000184554552 455401927 /nfs/dbraw/zinc/40/19/27/455401927.db2.gz OFTBAFRPPBVMGA-SECBINFHSA-N 0 1 347.400 3.100 10 5 EGBEMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000184554552 455401931 /nfs/dbraw/zinc/40/19/31/455401931.db2.gz OFTBAFRPPBVMGA-SECBINFHSA-N 0 1 347.400 3.100 10 5 EGBEMN CCc1cc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)[nH]n1 ZINC000069930495 454158853 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COc1ccc([C@H](CO)CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872080686 1296722919 /nfs/dbraw/zinc/72/29/19/1296722919.db2.gz YCILHOIXDUSVFH-OCCSQVGLSA-N 0 1 348.374 3.169 10 5 EGBEMN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ncsc1Br ZINC000699037176 1298169514 /nfs/dbraw/zinc/16/95/14/1298169514.db2.gz NZJDUWVNWLPJHZ-UHFFFAOYSA-N 0 1 346.137 3.205 10 5 EGBEMN O=[N+]([O-])c1c(Cl)nccc1O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000710565924 1298256707 /nfs/dbraw/zinc/25/67/07/1298256707.db2.gz MLRHXSVBAFBUSD-CYBMUJFWSA-N 0 1 333.775 3.297 10 5 EGBEMN CCc1[nH]c(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C(=O)OC ZINC000894315739 1306339203 /nfs/dbraw/zinc/33/92/03/1306339203.db2.gz HZNJWVYPSQQPAS-GFCCVEGCSA-N 0 1 345.399 3.431 10 5 EGBEMN C[C@@H](OC(=O)c1cc(-c2ccco2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000913302364 1319001132 /nfs/dbraw/zinc/00/11/32/1319001132.db2.gz XUACRJWCVRRLFX-SNVBAGLBSA-N 0 1 327.296 3.496 10 5 EGBEMN C/C=C\C[C@@H]1CCCN(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000863340565 1329548344 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10 5 EGBEMN Cc1ccc([N+](=O)[O-])c(N2CCN(CCc3ccccc3)CC2)c1 ZINC001162055861 1382615572 /nfs/dbraw/zinc/61/55/72/1382615572.db2.gz RRLJDPXCIXDFGZ-UHFFFAOYSA-N 0 1 325.412 3.268 10 5 EGBEMN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2nc(C)[nH]c21 ZINC001299859475 1383632911 /nfs/dbraw/zinc/63/29/11/1383632911.db2.gz ZUKHLSUYRCWUSE-UHFFFAOYSA-N 0 1 325.328 3.074 10 5 EGBEMN O=C(NCc1ccc(Nc2ccncc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001168504046 1383926869 /nfs/dbraw/zinc/92/68/69/1383926869.db2.gz FJYJIAGUQYJBHJ-UHFFFAOYSA-N 0 1 348.362 3.085 10 5 EGBEMN O=[N+]([O-])c1ccc(CN(c2nc(Cl)nc3[nH]cnc32)C2CC2)cc1 ZINC001307083558 1383938330 /nfs/dbraw/zinc/93/83/30/1383938330.db2.gz PBAVALHWSBJMCV-UHFFFAOYSA-N 0 1 344.762 3.084 10 5 EGBEMN CC[C@H](C)[C@H](C(=O)OC)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001307778535 1384030332 /nfs/dbraw/zinc/03/03/32/1384030332.db2.gz GBJMMNYQIHBTKZ-JLJPHGGASA-N 0 1 334.416 3.362 10 5 EGBEMN Cc1ccc(CN2CCN(C)C[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001171734774 1384619505 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CN(CCCNC(=O)/C=C\C(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC001689793487 1404138177 /nfs/dbraw/zinc/13/81/77/1404138177.db2.gz MKORESAWHQNPKC-KHPPLWFESA-N 0 1 333.432 3.135 10 5 EGBEMN CN(CCCNC(=O)C1CC2(CCC2)C1)Cc1ccccc1[N+](=O)[O-] ZINC001712966309 1417520085 /nfs/dbraw/zinc/52/00/85/1417520085.db2.gz ZMWCIMPANHENEO-UHFFFAOYSA-N 0 1 345.443 3.113 10 5 EGBEMN CCN(CCNCc1csc([N+](=O)[O-])c1)C(=O)C(C)(C)C(C)C ZINC001715734859 1420317569 /nfs/dbraw/zinc/31/75/69/1420317569.db2.gz UMRHAELTIXEXRC-UHFFFAOYSA-N 0 1 341.477 3.277 10 5 EGBEMN O=C(NC/C=C\CNCc1cccc([N+](=O)[O-])c1)C1CCCCCC1 ZINC001716273671 1420590578 /nfs/dbraw/zinc/59/05/78/1420590578.db2.gz VEIJEENWIOHAMA-WAYWQWQTSA-N 0 1 345.443 3.327 10 5 EGBEMN CCC(C)(C)C(=O)NCC1(NCc2ccccc2[N+](=O)[O-])CCC1 ZINC001717156530 1421145958 /nfs/dbraw/zinc/14/59/58/1421145958.db2.gz BTIKTEYXTSVFLJ-UHFFFAOYSA-N 0 1 333.432 3.160 10 5 EGBEMN C/C=C(/C)C(=O)NCC1(C)CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001724284251 1424774043 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Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2Cc1c(F)cccc1[N+](=O)[O-] ZINC000338584452 163283326 /nfs/dbraw/zinc/28/33/26/163283326.db2.gz PFWUANGCBPXJDU-AGUYFDCRSA-N 0 1 344.390 3.378 10 5 EGBEMN Cc1cnn([C@H]2CCCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)c1 ZINC000122989109 222195149 /nfs/dbraw/zinc/19/51/49/222195149.db2.gz QJMKQKITKURHMB-PFWMLDTASA-N 0 1 326.400 3.450 10 5 EGBEMN COc1cccc2c1CCN(Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC000193720035 266055662 /nfs/dbraw/zinc/05/56/62/266055662.db2.gz KLGFJPXMILWWMV-UHFFFAOYSA-N 0 1 330.359 3.343 10 5 EGBEMN Cc1cc([N+](=O)[O-])ccc1CN(Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000273427914 267037802 /nfs/dbraw/zinc/03/78/02/267037802.db2.gz KNTLEXKULCWLBY-UHFFFAOYSA-N 0 1 339.395 3.167 10 5 EGBEMN CO[C@H](C)CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000340850271 274075144 /nfs/dbraw/zinc/07/51/44/274075144.db2.gz OLNBOLKXJYVMJS-CYBMUJFWSA-N 0 1 333.388 3.495 10 5 EGBEMN O=[N+]([O-])c1cccc(CCNCc2ncc(C(F)(F)F)s2)c1 ZINC000278658327 275262887 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EGBEMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280492703 455981875 /nfs/dbraw/zinc/98/18/75/455981875.db2.gz MKDFDNLNRBQFBC-KDOFPFPSSA-N 0 1 334.416 3.234 10 5 EGBEMN CCc1nc([C@@H](C)Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)n[nH]1 ZINC000271302558 456212233 /nfs/dbraw/zinc/21/22/33/456212233.db2.gz GZEDKXUIBWNJMJ-SSDOTTSWSA-N 0 1 327.291 3.050 10 5 EGBEMN CCc1ccc([C@@H](NCCc2cn[nH]c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000353638954 456820145 /nfs/dbraw/zinc/82/01/45/456820145.db2.gz COFQWQYDCAFBBB-SFHVURJKSA-N 0 1 340.383 3.395 10 5 EGBEMN C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339044306 456913752 /nfs/dbraw/zinc/91/37/52/456913752.db2.gz QBNBXDQDZVDBTM-SGTLLEGYSA-N 0 1 328.368 3.124 10 5 EGBEMN C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339044306 456913755 /nfs/dbraw/zinc/91/37/55/456913755.db2.gz QBNBXDQDZVDBTM-SGTLLEGYSA-N 0 1 328.368 3.124 10 5 EGBEMN CCOc1cc(CN2CC[C@@H](C(C)(C)C)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000331186434 457143309 /nfs/dbraw/zinc/14/33/09/457143309.db2.gz TWTLOKDBJWBCJY-ZBFHGGJFSA-N 0 1 336.432 3.222 10 5 EGBEMN CN(c1ncc([N+](=O)[O-])cc1Cl)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000354418828 457210162 /nfs/dbraw/zinc/21/01/62/457210162.db2.gz JARRXZHAZGFNQN-CQSZACIVSA-N 0 1 346.818 3.354 10 5 EGBEMN COCC[C@@H]1CCCCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000342697975 457462436 /nfs/dbraw/zinc/46/24/36/457462436.db2.gz FAVHLTRPEJIPTH-GJZGRUSLSA-N 0 1 349.431 3.060 10 5 EGBEMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000356330101 457574896 /nfs/dbraw/zinc/57/48/96/457574896.db2.gz BDCWHVISBDAYPC-OAHLLOKOSA-N 0 1 344.342 3.287 10 5 EGBEMN CCCN(C[C@@H]1CCCCO1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411366330 457866122 /nfs/dbraw/zinc/86/61/22/457866122.db2.gz JHVRAPQMOYNLIM-CABCVRRESA-N 0 1 349.431 3.203 10 5 EGBEMN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000427710856 458025342 /nfs/dbraw/zinc/02/53/42/458025342.db2.gz GPYAYNGVQLBQHT-UHFFFAOYSA-N 0 1 326.312 3.040 10 5 EGBEMN CCc1cccc(F)c1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000474280637 458874384 /nfs/dbraw/zinc/87/43/84/458874384.db2.gz OCOXOKSSZRZMFI-CQSZACIVSA-N 0 1 344.390 3.378 10 5 EGBEMN Cc1cc(NCCC[N@@H+]2CCCC[C@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000577224203 459002195 /nfs/dbraw/zinc/00/21/95/459002195.db2.gz URMGPFAWCIWODG-CYBMUJFWSA-N 0 1 335.404 3.278 10 5 EGBEMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000594734084 459144898 /nfs/dbraw/zinc/14/48/98/459144898.db2.gz OACLWNXEPPJZTO-JLLWLGSASA-N 0 1 346.305 3.241 10 5 EGBEMN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3C[C@@H](O)C34CCC4)cs2)c1 ZINC000594985871 459204562 /nfs/dbraw/zinc/20/45/62/459204562.db2.gz BKBXOABPAHJRJI-LSDHHAIUSA-N 0 1 345.424 3.111 10 5 EGBEMN O=[N+]([O-])c1cc(Br)ccc1N1CCCc2[nH]ncc2C1 ZINC000596004312 459493843 /nfs/dbraw/zinc/49/38/43/459493843.db2.gz XIPAZMRAMBVMRF-UHFFFAOYSA-N 0 1 337.177 3.033 10 5 EGBEMN Cc1cc(N2CCO[C@@](C)(C3CC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000596335955 459600527 /nfs/dbraw/zinc/60/05/27/459600527.db2.gz UCVDUFXWCVYULD-GOSISDBHSA-N 0 1 327.384 3.457 10 5 EGBEMN C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@H]1c1ccccc1 ZINC000592977495 459727254 /nfs/dbraw/zinc/72/72/54/459727254.db2.gz NCBBWMNOPROYRL-NVXWUHKLSA-N 0 1 341.367 3.150 10 5 EGBEMN CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1CCN(CC)C1 ZINC000598040927 460151492 /nfs/dbraw/zinc/15/14/92/460151492.db2.gz JJKDGBMWYBUTDM-CQSZACIVSA-N 0 1 347.440 3.366 10 5 EGBEMN Cc1cc(N2CCO[C@@H](C(F)F)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000601232915 460759057 /nfs/dbraw/zinc/75/90/57/460759057.db2.gz VJFVYJAAJKWVSK-OAHLLOKOSA-N 0 1 337.326 3.312 10 5 EGBEMN CC(C)c1csc([C@@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000174875148 528240863 /nfs/dbraw/zinc/24/08/63/528240863.db2.gz QXZBXUMCVSIQTI-CYBMUJFWSA-N 0 1 349.460 3.251 10 5 EGBEMN COc1ccc([C@H](O)CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872022368 1296666477 /nfs/dbraw/zinc/66/64/77/1296666477.db2.gz YEDITTXHYVXOFX-BDJLRTHQSA-N 0 1 334.347 3.127 10 5 EGBEMN CC(=O)c1c(N(C)CCCN(C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000882361211 1301933952 /nfs/dbraw/zinc/93/39/52/1301933952.db2.gz YACUNILPXIGHSM-UHFFFAOYSA-N 0 1 345.399 3.349 10 5 EGBEMN CC1(C)OCC[C@H]1NCc1c(Br)cccc1[N+](=O)[O-] ZINC000930606423 1328912233 /nfs/dbraw/zinc/91/22/33/1328912233.db2.gz OOOGLEHFBSEBQM-GFCCVEGCSA-N 0 1 329.194 3.014 10 5 EGBEMN O=C(NC[C@H]1CCN1C1CCCCCC1)c1ccc([N+](=O)[O-])s1 ZINC001132400380 1375353809 /nfs/dbraw/zinc/35/38/09/1375353809.db2.gz IKMRWKGTCCSGOJ-CYBMUJFWSA-N 0 1 337.445 3.183 10 5 EGBEMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccn(C)c2)n[nH]1 ZINC001135494876 1377117760 /nfs/dbraw/zinc/11/77/60/1377117760.db2.gz LSKSERYTDGBJDL-UHFFFAOYSA-N 0 1 339.355 3.193 10 5 EGBEMN C=C/C(C)=C/CC(=O)NCC1(NCc2csc([N+](=O)[O-])c2)CCC1 ZINC001273134874 1378089949 /nfs/dbraw/zinc/08/99/49/1378089949.db2.gz YIAJXOPCLTUQBF-WLRTZDKTSA-N 0 1 349.456 3.307 10 5 EGBEMN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc2nc[nH]c2c1 ZINC001142428493 1378442478 /nfs/dbraw/zinc/44/24/78/1378442478.db2.gz PZASYOKGVSXGMO-UHFFFAOYSA-N 0 1 338.323 3.073 10 5 EGBEMN CCCc1[nH]nc(C(=O)N2CC([C@@H]3CCC[C@H](C)C3)C2)c1[N+](=O)[O-] ZINC001152400311 1379927085 /nfs/dbraw/zinc/92/70/85/1379927085.db2.gz FTHPWWJBLUZTCG-NWDGAFQWSA-N 0 1 334.420 3.169 10 5 EGBEMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)cc(C=O)c1O ZINC001160557953 1382140808 /nfs/dbraw/zinc/14/08/08/1382140808.db2.gz WRXVMWBEOBOLOZ-UHFFFAOYSA-N 0 1 344.323 3.072 10 5 EGBEMN C[C@@H]1CN(c2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C[C@H](C)N1C ZINC001163412771 1383046164 /nfs/dbraw/zinc/04/61/64/1383046164.db2.gz NVGALMGRYZDBOH-PHIMTYICSA-N 0 1 334.807 3.325 10 5 EGBEMN CCc1ccc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC001164009280 1383146147 /nfs/dbraw/zinc/14/61/47/1383146147.db2.gz XJHRXAYSFVRYKQ-UHFFFAOYSA-N 0 1 325.412 3.479 10 5 EGBEMN Cc1cc([C@H]2CCCCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])n[nH]1 ZINC001304124736 1383834315 /nfs/dbraw/zinc/83/43/15/1383834315.db2.gz TVRGVNMPGZDCJY-OAHLLOKOSA-N 0 1 332.335 3.133 10 5 EGBEMN CN(CCN(C)C(=O)C1CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001319970329 1386427132 /nfs/dbraw/zinc/42/71/32/1386427132.db2.gz RNKVLCOWOFXOAM-UHFFFAOYSA-N 0 1 333.432 3.065 10 5 EGBEMN O=C(C=C1CCCCC1)NC/C=C/CNCc1cccc([N+](=O)[O-])c1 ZINC001320985016 1386776180 /nfs/dbraw/zinc/77/61/80/1386776180.db2.gz JHRGQLNHGVTJDI-SNAWJCMRSA-N 0 1 343.427 3.247 10 5 EGBEMN CC(C)c1n[nH]c(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC001338537916 1389703559 /nfs/dbraw/zinc/70/35/59/1389703559.db2.gz GWLCWKNLXDIDNY-UHFFFAOYSA-N 0 1 331.376 3.386 10 5 EGBEMN CC(C)c1nc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n[nH]1 ZINC001338537916 1389703561 /nfs/dbraw/zinc/70/35/61/1389703561.db2.gz GWLCWKNLXDIDNY-UHFFFAOYSA-N 0 1 331.376 3.386 10 5 EGBEMN Cc1sccc1C(=O)NCCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001479769968 1392377962 /nfs/dbraw/zinc/37/79/62/1392377962.db2.gz SOEFGWWDXWNUSY-UHFFFAOYSA-N 0 1 347.440 3.217 10 5 EGBEMN O=C(NC/C=C\CNCc1ccccc1[N+](=O)[O-])C1CCC=CCC1 ZINC001497760947 1396830962 /nfs/dbraw/zinc/83/09/62/1396830962.db2.gz FANZNPWOUCIAKD-FPLPWBNLSA-N 0 1 343.427 3.103 10 5 EGBEMN CCN(CCNCc1ccccc1[N+](=O)[O-])C(=O)C=C1CCCCC1 ZINC001699170013 1412550201 /nfs/dbraw/zinc/55/02/01/1412550201.db2.gz HULVAKVKDQODLI-UHFFFAOYSA-N 0 1 345.443 3.423 10 5 EGBEMN CC1(C)C(C(=O)NCC2(NCc3cccc([N+](=O)[O-])c3)CC2)C1(C)C ZINC001733241214 1429384783 /nfs/dbraw/zinc/38/47/83/1429384783.db2.gz KAOKBHNTPHVIJC-UHFFFAOYSA-N 0 1 345.443 3.015 10 5 EGBEMN Cc1cccc(C(=O)N(C)CCN(C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001715509648 1420193443 /nfs/dbraw/zinc/19/34/43/1420193443.db2.gz NSKKNKWOFSCQQI-UHFFFAOYSA-N 0 1 341.411 3.107 10 5 EGBEMN CN(CCN(C)C(=O)C1C(C)(C)C1(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC001715515659 1420200599 /nfs/dbraw/zinc/20/05/99/1420200599.db2.gz NVHHBMSVOVAXJW-UHFFFAOYSA-N 0 1 347.459 3.167 10 5 EGBEMN CCC(C)(CC)C(=O)N[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001731459189 1427435643 /nfs/dbraw/zinc/43/56/43/1427435643.db2.gz IOYNWMAULBGERB-JOCQHMNTSA-N 0 1 339.461 3.219 10 5 EGBEMN