smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000363868253 149023104 /nfs/dbraw/zinc/02/31/04/149023104.db2.gz NCYDEUSUOCTXMK-KBAYOESNSA-N 2 1 333.432 2.587 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000363868253 149023107 /nfs/dbraw/zinc/02/31/07/149023107.db2.gz NCYDEUSUOCTXMK-KBAYOESNSA-N 2 1 333.432 2.587 10 5 EFBEMP C[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2)([NH+]2CCCCC2)CC1 ZINC000091484730 472773854 /nfs/dbraw/zinc/77/38/54/472773854.db2.gz PDYBSJLAKXNKBW-UHFFFAOYSA-N 2 1 332.448 2.957 10 5 EFBEMP Cc1c(NC(=O)CC[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000123728239 473178359 /nfs/dbraw/zinc/17/83/59/473178359.db2.gz MROKTJXXKFFMSF-HIFRSBDPSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1c(NC(=O)CC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000123728239 473178364 /nfs/dbraw/zinc/17/83/64/473178364.db2.gz MROKTJXXKFFMSF-HIFRSBDPSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1c(NC(=O)CC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000123728239 473178369 /nfs/dbraw/zinc/17/83/69/473178369.db2.gz MROKTJXXKFFMSF-HIFRSBDPSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1c(NC(=O)CC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000123728239 473178374 /nfs/dbraw/zinc/17/83/74/473178374.db2.gz MROKTJXXKFFMSF-HIFRSBDPSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1c(NC(=O)CC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000123728239 473178380 /nfs/dbraw/zinc/17/83/80/473178380.db2.gz MROKTJXXKFFMSF-HIFRSBDPSA-N 2 1 348.447 2.646 10 5 EFBEMP CCc1nccn1[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000137050245 473192619 /nfs/dbraw/zinc/19/26/19/473192619.db2.gz XQQGMZHNAXQTKC-IRXDYDNUSA-N 2 1 344.415 2.724 10 5 EFBEMP COc1ccc(-c2ccc(C[NH2+][C@@H]3CC[NH2+]C[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414946880 476895214 /nfs/dbraw/zinc/89/52/14/476895214.db2.gz UTIKCZPXVUTQPV-MLGOLLRUSA-N 2 1 345.399 2.951 10 5 EFBEMP CC(C)C[N@H+]1CCO[C@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599015353 479126110 /nfs/dbraw/zinc/12/61/10/479126110.db2.gz LEVFAMZVOJGACG-OAHLLOKOSA-N 2 1 344.415 2.912 10 5 EFBEMP CC(C)CN1CCO[C@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599015353 479126118 /nfs/dbraw/zinc/12/61/18/479126118.db2.gz LEVFAMZVOJGACG-OAHLLOKOSA-N 2 1 344.415 2.912 10 5 EFBEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000596361919 479265411 /nfs/dbraw/zinc/26/54/11/479265411.db2.gz MCMWGYZBPGMCIX-AWEZNQCLSA-N 2 1 345.447 2.827 10 5 EFBEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000596361919 479265417 /nfs/dbraw/zinc/26/54/17/479265417.db2.gz MCMWGYZBPGMCIX-AWEZNQCLSA-N 2 1 345.447 2.827 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000593323729 479295010 /nfs/dbraw/zinc/29/50/10/479295010.db2.gz WBXZFULGRBGZAC-NXHRZFHOSA-N 2 1 333.432 2.764 10 5 EFBEMP Cc1c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cccc1[N+](=O)[O-] ZINC000593731508 479437735 /nfs/dbraw/zinc/43/77/35/479437735.db2.gz YMSXSIZFQKRSGN-CGTJXYLNSA-N 2 1 333.432 2.764 10 5 EFBEMP C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)CC[C@H]1C[NH3+] ZINC000923494413 1261779870 /nfs/dbraw/zinc/77/98/70/1261779870.db2.gz WYRJFBOKXSIWFZ-MNOVXSKESA-N 2 1 342.237 2.774 10 5 EFBEMP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817983874 1276420388 /nfs/dbraw/zinc/42/03/88/1276420388.db2.gz KGVPGDATZDDWSK-MZTPLVFXSA-N 2 1 344.459 2.981 10 5 EFBEMP C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903510716 1312791943 /nfs/dbraw/zinc/79/19/43/1312791943.db2.gz JGHTZLDGMYJTKN-ZMYBRWDISA-N 2 1 344.459 2.556 10 5 EFBEMP CCC1([NH3+])CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000903946339 1313466633 /nfs/dbraw/zinc/46/66/33/1313466633.db2.gz ONWWIQKRSPDPJZ-UHFFFAOYSA-N 2 1 343.431 2.699 10 5 EFBEMP Cc1cc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000866206913 1303563056 /nfs/dbraw/zinc/56/30/56/1303563056.db2.gz GJYVHUAEVKSXQZ-DYVFJYSZSA-N 2 1 326.400 2.982 10 5 EFBEMP C[C@@H]1C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1CC[NH3+] ZINC000723902258 715006782 /nfs/dbraw/zinc/00/67/82/715006782.db2.gz NVMGBNYISXBQOJ-ZYHUDNBSSA-N 2 1 342.237 2.774 10 5 EFBEMP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001647977852 1089923569 /nfs/dbraw/zinc/92/35/69/1089923569.db2.gz NPFJEHXKGZIERW-ZBFHGGJFSA-N 2 1 333.432 2.766 10 5 EFBEMP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001647977852 1089923584 /nfs/dbraw/zinc/92/35/84/1089923584.db2.gz NPFJEHXKGZIERW-ZBFHGGJFSA-N 2 1 333.432 2.766 10 5 EFBEMP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001647977852 1089923596 /nfs/dbraw/zinc/92/35/96/1089923596.db2.gz NPFJEHXKGZIERW-ZBFHGGJFSA-N 2 1 333.432 2.766 10 5 EFBEMP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001647977852 1089923608 /nfs/dbraw/zinc/92/36/08/1089923608.db2.gz NPFJEHXKGZIERW-ZBFHGGJFSA-N 2 1 333.432 2.766 10 5 EFBEMP C[N@H+]1C[C@]23C[NH+](CCc4ccc([N+](=O)[O-])cc4)C[C@@]2(C1)CCCC3 ZINC001620683390 1091142934 /nfs/dbraw/zinc/14/29/34/1091142934.db2.gz HDAUZWZOAHVLDF-KDURUIRLSA-N 2 1 329.444 2.945 10 5 EFBEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000178297079 232129041 /nfs/dbraw/zinc/12/90/41/232129041.db2.gz MBNXTYMYNCFPCF-OAHLLOKOSA-N 2 1 330.388 2.643 10 5 EFBEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000178297079 232129045 /nfs/dbraw/zinc/12/90/45/232129045.db2.gz MBNXTYMYNCFPCF-OAHLLOKOSA-N 2 1 330.388 2.643 10 5 EFBEMP COc1ccc(-c2ccc(C[NH2+][C@H]3CC[NH2+]C[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414946881 476895062 /nfs/dbraw/zinc/89/50/62/476895062.db2.gz UTIKCZPXVUTQPV-WBMJQRKESA-N 2 1 345.399 2.951 10 5 EFBEMP Cc1c([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cccc1[N+](=O)[O-] ZINC000423504170 477051776 /nfs/dbraw/zinc/05/17/76/477051776.db2.gz GMQLSGBICVOJBG-GTPINHCMSA-N 2 1 346.475 2.770 10 5 EFBEMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000600778275 478516578 /nfs/dbraw/zinc/51/65/78/478516578.db2.gz XNYJEMQLCGDYMP-UHFFFAOYSA-N 2 1 333.388 2.523 10 5 EFBEMP CC[N@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)C1 ZINC000573360053 479048046 /nfs/dbraw/zinc/04/80/46/479048046.db2.gz BQUTYVKPTHYZEO-SUMWQHHRSA-N 2 1 330.432 2.939 10 5 EFBEMP O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000595901468 479058950 /nfs/dbraw/zinc/05/89/50/479058950.db2.gz WNMYOFCQEMRQOM-INIZCTEOSA-N 2 1 333.432 2.685 10 5 EFBEMP COc1cc(NCC[N@H+](C)CCC[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596425702 479290779 /nfs/dbraw/zinc/29/07/79/479290779.db2.gz VOIKEIBTOUOPBN-UHFFFAOYSA-N 2 1 344.843 2.552 10 5 EFBEMP COc1cc(NCC[N@@H+](C)CCC[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596425702 479290782 /nfs/dbraw/zinc/29/07/82/479290782.db2.gz VOIKEIBTOUOPBN-UHFFFAOYSA-N 2 1 344.843 2.552 10 5 EFBEMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000593319983 479293968 /nfs/dbraw/zinc/29/39/68/479293968.db2.gz HDEPKTCXIJAYLT-FRAGRWOZSA-N 2 1 345.443 2.969 10 5 EFBEMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000593320372 479294043 /nfs/dbraw/zinc/29/40/43/479294043.db2.gz HDEPKTCXIJAYLT-GBQCJDKSSA-N 2 1 345.443 2.969 10 5 EFBEMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000349979172 535551141 /nfs/dbraw/zinc/55/11/41/535551141.db2.gz WCXHCDCUKSIBAG-SFHVURJKSA-N 2 1 335.448 2.836 10 5 EFBEMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903975303 1313522517 /nfs/dbraw/zinc/52/25/17/1313522517.db2.gz ZOASMQWRWKISJL-DOTOQJQBSA-N 2 1 347.459 2.664 10 5 EFBEMP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001308150995 1324797001 /nfs/dbraw/zinc/79/70/01/1324797001.db2.gz XJRWAICNWSGXRF-MRXNPFEDSA-N 2 1 347.459 2.969 10 5 EFBEMP O=[N+]([O-])c1ccc2c(cnn2C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000151819191 725840861 /nfs/dbraw/zinc/84/08/61/725840861.db2.gz CHNBRHCUBCYFPX-UHFFFAOYSA-N 2 1 343.431 2.710 10 5 EFBEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000178289829 232126659 /nfs/dbraw/zinc/12/66/59/232126659.db2.gz ZUNPWGVRAODJSQ-MRXNPFEDSA-N 2 1 330.388 2.643 10 5 EFBEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000178289829 232126663 /nfs/dbraw/zinc/12/66/63/232126663.db2.gz ZUNPWGVRAODJSQ-MRXNPFEDSA-N 2 1 330.388 2.643 10 5 EFBEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000178291222 232127324 /nfs/dbraw/zinc/12/73/24/232127324.db2.gz KVPRLUFDAXLQMO-MRXNPFEDSA-N 2 1 330.388 2.643 10 5 EFBEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000178291222 232127327 /nfs/dbraw/zinc/12/73/27/232127327.db2.gz KVPRLUFDAXLQMO-MRXNPFEDSA-N 2 1 330.388 2.643 10 5 EFBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246796442 243320285 /nfs/dbraw/zinc/32/02/85/243320285.db2.gz PHBNQBPSJKOPNO-LSDHHAIUSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246796442 243320291 /nfs/dbraw/zinc/32/02/91/243320291.db2.gz PHBNQBPSJKOPNO-LSDHHAIUSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246796442 243320295 /nfs/dbraw/zinc/32/02/95/243320295.db2.gz PHBNQBPSJKOPNO-LSDHHAIUSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246796442 243320302 /nfs/dbraw/zinc/32/03/02/243320302.db2.gz PHBNQBPSJKOPNO-LSDHHAIUSA-N 2 1 348.447 2.646 10 5 EFBEMP CC[N@@H+](C)[C@@H]1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000302741968 311198805 /nfs/dbraw/zinc/19/88/05/311198805.db2.gz DBCMEPDQRBLHHI-MRXNPFEDSA-N 2 1 341.415 2.891 10 5 EFBEMP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190483564 473290771 /nfs/dbraw/zinc/29/07/71/473290771.db2.gz JDJFGBBIKGFJCQ-GOSISDBHSA-N 2 1 340.427 2.944 10 5 EFBEMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000193998543 473826560 /nfs/dbraw/zinc/82/65/60/473826560.db2.gz WXWPMBFHKXKPMB-IUODEOHRSA-N 2 1 336.392 2.665 10 5 EFBEMP Cc1c(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000174877661 474111568 /nfs/dbraw/zinc/11/15/68/474111568.db2.gz SHBQCOXNVCCDTE-GOSISDBHSA-N 2 1 346.475 2.505 10 5 EFBEMP Cc1c(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000174877661 474111574 /nfs/dbraw/zinc/11/15/74/474111574.db2.gz SHBQCOXNVCCDTE-GOSISDBHSA-N 2 1 346.475 2.505 10 5 EFBEMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174884576 474112835 /nfs/dbraw/zinc/11/28/35/474112835.db2.gz NVFAKEDLWBSHKP-APWZRJJASA-N 2 1 346.475 2.758 10 5 EFBEMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174884576 474112840 /nfs/dbraw/zinc/11/28/40/474112840.db2.gz NVFAKEDLWBSHKP-APWZRJJASA-N 2 1 346.475 2.758 10 5 EFBEMP CC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000423499847 477049542 /nfs/dbraw/zinc/04/95/42/477049542.db2.gz BGPKUSRTFGOJNG-TVPLGVNVSA-N 2 1 346.475 2.852 10 5 EFBEMP Cc1ccc([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC000423524838 477062405 /nfs/dbraw/zinc/06/24/05/477062405.db2.gz XJZRCFJDTKIYTP-FAEJEUNOSA-N 2 1 346.475 2.770 10 5 EFBEMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000600778420 478516100 /nfs/dbraw/zinc/51/61/00/478516100.db2.gz YUQIIHSKXGXKEO-UHFFFAOYSA-N 2 1 349.456 2.991 10 5 EFBEMP CC[N@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](C)C1 ZINC000573360050 479048715 /nfs/dbraw/zinc/04/87/15/479048715.db2.gz BQUTYVKPTHYZEO-CXAGYDPISA-N 2 1 330.432 2.939 10 5 EFBEMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2csc([N+](=O)[O-])c2)C1 ZINC000593324230 479296628 /nfs/dbraw/zinc/29/66/28/479296628.db2.gz ZEJIEGNPGVATSY-RDBSUJKOSA-N 2 1 325.434 2.517 10 5 EFBEMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2csc([N+](=O)[O-])c2)C1 ZINC000593324230 479296635 /nfs/dbraw/zinc/29/66/35/479296635.db2.gz ZEJIEGNPGVATSY-RDBSUJKOSA-N 2 1 325.434 2.517 10 5 EFBEMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000593730187 479436088 /nfs/dbraw/zinc/43/60/88/479436088.db2.gz LKGAOXNEVNRQQV-DQYPLSBCSA-N 2 1 337.395 2.595 10 5 EFBEMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000593730187 479436094 /nfs/dbraw/zinc/43/60/94/479436094.db2.gz LKGAOXNEVNRQQV-DQYPLSBCSA-N 2 1 337.395 2.595 10 5 EFBEMP Cc1c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cccc1[N+](=O)[O-] ZINC000593731511 479438374 /nfs/dbraw/zinc/43/83/74/479438374.db2.gz YMSXSIZFQKRSGN-NXHRZFHOSA-N 2 1 333.432 2.764 10 5 EFBEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000178289812 534781665 /nfs/dbraw/zinc/78/16/65/534781665.db2.gz ZUNPWGVRAODJSQ-INIZCTEOSA-N 2 1 330.388 2.643 10 5 EFBEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000178289812 534781670 /nfs/dbraw/zinc/78/16/70/534781670.db2.gz ZUNPWGVRAODJSQ-INIZCTEOSA-N 2 1 330.388 2.643 10 5 EFBEMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245430995 526077720 /nfs/dbraw/zinc/07/77/20/526077720.db2.gz NVFAKEDLWBSHKP-QFBILLFUSA-N 2 1 346.475 2.758 10 5 EFBEMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245430995 526077726 /nfs/dbraw/zinc/07/77/26/526077726.db2.gz NVFAKEDLWBSHKP-QFBILLFUSA-N 2 1 346.475 2.758 10 5 EFBEMP C[C@@H]1C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1C[NH3+] ZINC000923493142 1261777347 /nfs/dbraw/zinc/77/73/47/1261777347.db2.gz DUFYIVFCOBLOSV-PWSUYJOCSA-N 2 1 342.237 2.774 10 5 EFBEMP C[C@@H]1C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1C[NH3+] ZINC000923493142 1261777352 /nfs/dbraw/zinc/77/73/52/1261777352.db2.gz DUFYIVFCOBLOSV-PWSUYJOCSA-N 2 1 342.237 2.774 10 5 EFBEMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000846227182 1280077684 /nfs/dbraw/zinc/07/76/84/1280077684.db2.gz IQKFRPONQJJMAO-DJIMGWMZSA-N 2 1 337.395 2.595 10 5 EFBEMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903975305 1313522538 /nfs/dbraw/zinc/52/25/38/1313522538.db2.gz ZOASMQWRWKISJL-RDJZCZTQSA-N 2 1 347.459 2.664 10 5 EFBEMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001308091134 1324792835 /nfs/dbraw/zinc/79/28/35/1324792835.db2.gz XUGJOOCGIOLGLF-OAHLLOKOSA-N 2 1 342.399 2.579 10 5 EFBEMP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001308150994 1324797153 /nfs/dbraw/zinc/79/71/53/1324797153.db2.gz XJRWAICNWSGXRF-INIZCTEOSA-N 2 1 347.459 2.969 10 5 EFBEMP Cc1c([C@H](C)[NH2+]CCCCC[NH+]2CCNCC2)cccc1[N+](=O)[O-] ZINC000925845928 719753588 /nfs/dbraw/zinc/75/35/88/719753588.db2.gz PYVVSWPTHBJYKP-INIZCTEOSA-N 2 1 334.464 2.629 10 5 EFBEMP C[NH+](C)CCC[N@H+](C)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001640143556 1101018466 /nfs/dbraw/zinc/01/84/66/1101018466.db2.gz UEOQWHJNDRVDIJ-UHFFFAOYSA-N 2 1 348.369 2.909 10 5 EFBEMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001640143556 1101018472 /nfs/dbraw/zinc/01/84/72/1101018472.db2.gz UEOQWHJNDRVDIJ-UHFFFAOYSA-N 2 1 348.369 2.909 10 5 EFBEMP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001655329854 1101810650 /nfs/dbraw/zinc/81/06/50/1101810650.db2.gz MIZAQUNKELYUFS-KRWDZBQOSA-N 2 1 349.479 2.686 10 5 EFBEMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001655329854 1101810666 /nfs/dbraw/zinc/81/06/66/1101810666.db2.gz MIZAQUNKELYUFS-KRWDZBQOSA-N 2 1 349.479 2.686 10 5 EFBEMP Cc1c(NC(=O)CC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000246739290 243306398 /nfs/dbraw/zinc/30/63/98/243306398.db2.gz MROKTJXXKFFMSF-DZGCQCFKSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1c(NC(=O)CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000246739290 243306403 /nfs/dbraw/zinc/30/64/03/243306403.db2.gz MROKTJXXKFFMSF-DZGCQCFKSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1c(NC(=O)CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000246739290 243306411 /nfs/dbraw/zinc/30/64/11/243306411.db2.gz MROKTJXXKFFMSF-DZGCQCFKSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1c(NC(=O)CC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000246739290 243306415 /nfs/dbraw/zinc/30/64/15/243306415.db2.gz MROKTJXXKFFMSF-DZGCQCFKSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246796428 243319573 /nfs/dbraw/zinc/31/95/73/243319573.db2.gz PHBNQBPSJKOPNO-GJZGRUSLSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246796428 243319583 /nfs/dbraw/zinc/31/95/83/243319583.db2.gz PHBNQBPSJKOPNO-GJZGRUSLSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246796428 243319588 /nfs/dbraw/zinc/31/95/88/243319588.db2.gz PHBNQBPSJKOPNO-GJZGRUSLSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246796428 243319592 /nfs/dbraw/zinc/31/95/92/243319592.db2.gz PHBNQBPSJKOPNO-GJZGRUSLSA-N 2 1 348.447 2.646 10 5 EFBEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1C ZINC000349075234 285282756 /nfs/dbraw/zinc/28/27/56/285282756.db2.gz OCAXKBNPPCSNTD-IBGZPJMESA-N 2 1 348.491 2.751 10 5 EFBEMP Cn1cc[nH+]c1CC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000105876547 141356687 /nfs/dbraw/zinc/35/66/87/141356687.db2.gz CWIGNSCVVZRKST-UHFFFAOYSA-N 2 1 344.415 2.662 10 5 EFBEMP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190483614 473290664 /nfs/dbraw/zinc/29/06/64/473290664.db2.gz XXNPJIDVIBFOFB-GOSISDBHSA-N 2 1 340.427 2.944 10 5 EFBEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090538529 472631872 /nfs/dbraw/zinc/63/18/72/472631872.db2.gz LHOXKWSZZUSKSR-CYBMUJFWSA-N 2 1 340.387 2.636 10 5 EFBEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000183678272 474411189 /nfs/dbraw/zinc/41/11/89/474411189.db2.gz LEUJRELDBMIAHW-CYBMUJFWSA-N 2 1 340.387 2.636 10 5 EFBEMP O=[N+]([O-])c1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cs1 ZINC000594973586 478613604 /nfs/dbraw/zinc/61/36/04/478613604.db2.gz GOTZGLMQPCLHHQ-INIZCTEOSA-N 2 1 347.440 2.513 10 5 EFBEMP O=[N+]([O-])c1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cs1 ZINC000594973586 478613609 /nfs/dbraw/zinc/61/36/09/478613609.db2.gz GOTZGLMQPCLHHQ-INIZCTEOSA-N 2 1 347.440 2.513 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593316425 479291660 /nfs/dbraw/zinc/29/16/60/479291660.db2.gz RLJHBLWFENRIFJ-XYJFISCASA-N 2 1 333.432 2.622 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000593323726 479295298 /nfs/dbraw/zinc/29/52/98/479295298.db2.gz WBXZFULGRBGZAC-CGTJXYLNSA-N 2 1 333.432 2.764 10 5 EFBEMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872035006 1287407917 /nfs/dbraw/zinc/40/79/17/1287407917.db2.gz JMZGIJCDINKCJI-ZIAGYGMSSA-N 2 1 339.411 2.621 10 5 EFBEMP O=[N+]([O-])c1ccc2cnn(C[NH+]3CCC(C[NH+]4CCCC4)CC3)c2c1 ZINC000151827778 725841433 /nfs/dbraw/zinc/84/14/33/725841433.db2.gz PAZUUIWLRYUCEC-UHFFFAOYSA-N 2 1 343.431 2.710 10 5 EFBEMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000127677586 1105050766 /nfs/dbraw/zinc/05/07/66/1105050766.db2.gz HWEXOFWLGSRFDC-OAHLLOKOSA-N 2 1 334.464 2.884 10 5 EFBEMP CC[N@H+]1CC[C@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000444659968 250323626 /nfs/dbraw/zinc/32/36/26/250323626.db2.gz DVCKEISKEQMIOL-WBMJQRKESA-N 2 1 331.420 2.633 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000452097327 251784709 /nfs/dbraw/zinc/78/47/09/251784709.db2.gz QBDZJTYFLMJIEI-UHFFFAOYSA-N 2 1 348.447 2.696 10 5 EFBEMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190483544 473290052 /nfs/dbraw/zinc/29/00/52/473290052.db2.gz JDJFGBBIKGFJCQ-SFHVURJKSA-N 2 1 340.427 2.944 10 5 EFBEMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000245522227 473714588 /nfs/dbraw/zinc/71/45/88/473714588.db2.gz LPSDIZCWCAYJFA-HOTGVXAUSA-N 2 1 349.475 2.989 10 5 EFBEMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000182752482 474248678 /nfs/dbraw/zinc/24/86/78/474248678.db2.gz LPSDIZCWCAYJFA-CVEARBPZSA-N 2 1 349.475 2.989 10 5 EFBEMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000283283613 474360139 /nfs/dbraw/zinc/36/01/39/474360139.db2.gz MFEQPODKVNFTGS-ZBFHGGJFSA-N 2 1 348.447 2.586 10 5 EFBEMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000283283597 474360337 /nfs/dbraw/zinc/36/03/37/474360337.db2.gz MFEQPODKVNFTGS-GOEBONIOSA-N 2 1 348.447 2.586 10 5 EFBEMP [NH3+]C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261802098 475068474 /nfs/dbraw/zinc/06/84/74/475068474.db2.gz QZPLRWPASVNNKI-CABCVRRESA-N 2 1 329.375 2.908 10 5 EFBEMP [NH3+]C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261802098 475068481 /nfs/dbraw/zinc/06/84/81/475068481.db2.gz QZPLRWPASVNNKI-CABCVRRESA-N 2 1 329.375 2.908 10 5 EFBEMP COc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000594734900 478520145 /nfs/dbraw/zinc/52/01/45/478520145.db2.gz GJTCMPMJHHYJNF-MRXNPFEDSA-N 2 1 333.432 2.815 10 5 EFBEMP O=[N+]([O-])c1ccc2[nH+]ccc(NC3CC([NH+]4CCCCC4)C3)c2c1 ZINC000601157617 478696190 /nfs/dbraw/zinc/69/61/90/478696190.db2.gz BQGGPFQQCUQLPR-UHFFFAOYSA-N 2 1 326.400 2.994 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593316421 479291234 /nfs/dbraw/zinc/29/12/34/479291234.db2.gz RLJHBLWFENRIFJ-LZLYRXPVSA-N 2 1 333.432 2.622 10 5 EFBEMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1[N+](=O)[O-] ZINC000593322930 479294781 /nfs/dbraw/zinc/29/47/81/479294781.db2.gz QDTZZTFQYSZXDF-NUJGCVRESA-N 2 1 333.432 2.764 10 5 EFBEMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000593324047 479296218 /nfs/dbraw/zinc/29/62/18/479296218.db2.gz XLRMKDUJDAJVHI-XYPHTWIQSA-N 2 1 337.395 2.595 10 5 EFBEMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593739160 479440262 /nfs/dbraw/zinc/44/02/62/479440262.db2.gz YLNUPRRIMMIVJX-GRZALLJUSA-N 2 1 333.432 2.874 10 5 EFBEMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247380000 526084946 /nfs/dbraw/zinc/08/49/46/526084946.db2.gz VUHLFMGGTDRFOB-LSDHHAIUSA-N 2 1 335.448 2.680 10 5 EFBEMP C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)CC[C@H]1C[NH3+] ZINC000923494414 1261779528 /nfs/dbraw/zinc/77/95/28/1261779528.db2.gz WYRJFBOKXSIWFZ-QWRGUYRKSA-N 2 1 342.237 2.774 10 5 EFBEMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000746674814 1275749929 /nfs/dbraw/zinc/74/99/29/1275749929.db2.gz JPOJZLAAHZSEGV-MRXNPFEDSA-N 2 1 339.411 2.667 10 5 EFBEMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000746674814 1275749935 /nfs/dbraw/zinc/74/99/35/1275749935.db2.gz JPOJZLAAHZSEGV-MRXNPFEDSA-N 2 1 339.411 2.667 10 5 EFBEMP C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903510717 1312792371 /nfs/dbraw/zinc/79/23/71/1312792371.db2.gz JGHTZLDGMYJTKN-ZOCIIQOWSA-N 2 1 344.459 2.556 10 5 EFBEMP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414886273 244390823 /nfs/dbraw/zinc/39/08/23/244390823.db2.gz WCHHMKJBFRDMJC-XBXARRHUSA-N 2 1 326.400 2.773 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000363868254 149023343 /nfs/dbraw/zinc/02/33/43/149023343.db2.gz NCYDEUSUOCTXMK-RYQLBKOJSA-N 2 1 333.432 2.587 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000363868254 149023345 /nfs/dbraw/zinc/02/33/45/149023345.db2.gz NCYDEUSUOCTXMK-RYQLBKOJSA-N 2 1 333.432 2.587 10 5 EFBEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000183678290 474410605 /nfs/dbraw/zinc/41/06/05/474410605.db2.gz LEUJRELDBMIAHW-ZDUSSCGKSA-N 2 1 340.387 2.636 10 5 EFBEMP CC[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000423499846 477049256 /nfs/dbraw/zinc/04/92/56/477049256.db2.gz BGPKUSRTFGOJNG-FAFZWHIHSA-N 2 1 346.475 2.852 10 5 EFBEMP COc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000594734899 478520622 /nfs/dbraw/zinc/52/06/22/478520622.db2.gz GJTCMPMJHHYJNF-INIZCTEOSA-N 2 1 333.432 2.815 10 5 EFBEMP O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900424 479059126 /nfs/dbraw/zinc/05/91/26/479059126.db2.gz FWDBALIBPZWBHC-MRXNPFEDSA-N 2 1 333.432 2.685 10 5 EFBEMP O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000595900596 479059472 /nfs/dbraw/zinc/05/94/72/479059472.db2.gz HUHMVKKVLLVBGM-MRXNPFEDSA-N 2 1 333.432 2.685 10 5 EFBEMP CC(C)C[N@H+]1CCO[C@@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599015352 479125585 /nfs/dbraw/zinc/12/55/85/479125585.db2.gz LEVFAMZVOJGACG-HNNXBMFYSA-N 2 1 344.415 2.912 10 5 EFBEMP CC(C)CN1CCO[C@@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599015352 479125597 /nfs/dbraw/zinc/12/55/97/479125597.db2.gz LEVFAMZVOJGACG-HNNXBMFYSA-N 2 1 344.415 2.912 10 5 EFBEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000596364114 479266781 /nfs/dbraw/zinc/26/67/81/479266781.db2.gz XXRFPRNKTZXGQI-AWEZNQCLSA-N 2 1 345.447 2.827 10 5 EFBEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000596364588 479267223 /nfs/dbraw/zinc/26/72/23/479267223.db2.gz PCLZPRSDLSPUCB-NSHDSACASA-N 2 1 330.379 2.557 10 5 EFBEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000596364588 479267230 /nfs/dbraw/zinc/26/72/30/479267230.db2.gz PCLZPRSDLSPUCB-NSHDSACASA-N 2 1 330.379 2.557 10 5 EFBEMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593739163 479440123 /nfs/dbraw/zinc/44/01/23/479440123.db2.gz YLNUPRRIMMIVJX-VUNQQRPYSA-N 2 1 333.432 2.874 10 5 EFBEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000178297063 534779473 /nfs/dbraw/zinc/77/94/73/534779473.db2.gz MBNXTYMYNCFPCF-HNNXBMFYSA-N 2 1 330.388 2.643 10 5 EFBEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000178297063 534779478 /nfs/dbraw/zinc/77/94/78/534779478.db2.gz MBNXTYMYNCFPCF-HNNXBMFYSA-N 2 1 330.388 2.643 10 5 EFBEMP C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000231464320 536463052 /nfs/dbraw/zinc/46/30/52/536463052.db2.gz IJGIAWMHPQSYGT-GFCCVEGCSA-N 2 1 342.237 2.931 10 5 EFBEMP C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000231464320 536463053 /nfs/dbraw/zinc/46/30/53/536463053.db2.gz IJGIAWMHPQSYGT-GFCCVEGCSA-N 2 1 342.237 2.931 10 5 EFBEMP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246225920 527394671 /nfs/dbraw/zinc/39/46/71/527394671.db2.gz FIGDBJOYJPJDGG-KFKAGJAMSA-N 2 1 345.443 2.577 10 5 EFBEMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246225920 527394673 /nfs/dbraw/zinc/39/46/73/527394673.db2.gz FIGDBJOYJPJDGG-KFKAGJAMSA-N 2 1 345.443 2.577 10 5 EFBEMP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246225920 527394678 /nfs/dbraw/zinc/39/46/78/527394678.db2.gz FIGDBJOYJPJDGG-KFKAGJAMSA-N 2 1 345.443 2.577 10 5 EFBEMP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246225920 527394682 /nfs/dbraw/zinc/39/46/82/527394682.db2.gz FIGDBJOYJPJDGG-KFKAGJAMSA-N 2 1 345.443 2.577 10 5 EFBEMP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817983873 1276421679 /nfs/dbraw/zinc/42/16/79/1276421679.db2.gz KGVPGDATZDDWSK-FVKPPRGOSA-N 2 1 344.459 2.981 10 5 EFBEMP C[C@@H](O)CC[N@@H+](C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001180199785 1289458504 /nfs/dbraw/zinc/45/85/04/1289458504.db2.gz YIIISRBDUOMROW-MRXNPFEDSA-N 2 1 349.475 2.552 10 5 EFBEMP C[NH+](C)CCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000865938151 1303461768 /nfs/dbraw/zinc/46/17/68/1303461768.db2.gz CPRUWCLUAKHTBA-UHFFFAOYSA-N 2 1 330.379 2.828 10 5 EFBEMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000865938151 1303461770 /nfs/dbraw/zinc/46/17/70/1303461770.db2.gz CPRUWCLUAKHTBA-UHFFFAOYSA-N 2 1 330.379 2.828 10 5 EFBEMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000925762614 717348837 /nfs/dbraw/zinc/34/88/37/717348837.db2.gz MHURVECZVJFJKM-GXFFZTMASA-N 2 1 342.237 2.835 10 5 EFBEMP C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1c1cc[nH+]cc1 ZINC001620542775 1090606927 /nfs/dbraw/zinc/60/69/27/1090606927.db2.gz JWHWDIFCRKRHGL-HNNXBMFYSA-N 2 1 342.399 2.579 10 5 EFBEMP COc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000178316237 232135360 /nfs/dbraw/zinc/13/53/60/232135360.db2.gz UBVLAEXZLIQQIH-OAHLLOKOSA-N 2 1 330.388 2.773 10 5 EFBEMP COc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000178316237 232135362 /nfs/dbraw/zinc/13/53/62/232135362.db2.gz UBVLAEXZLIQQIH-OAHLLOKOSA-N 2 1 330.388 2.773 10 5 EFBEMP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414886275 244391305 /nfs/dbraw/zinc/39/13/05/244391305.db2.gz WCHHMKJBFRDMJC-YWEYNIOJSA-N 2 1 326.400 2.773 10 5 EFBEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000105862392 472791524 /nfs/dbraw/zinc/79/15/24/472791524.db2.gz VUHLFMGGTDRFOB-GJZGRUSLSA-N 2 1 335.448 2.680 10 5 EFBEMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275467868 474197369 /nfs/dbraw/zinc/19/73/69/474197369.db2.gz HNFYVIXKGACVHA-HUUCEWRRSA-N 2 1 328.416 2.965 10 5 EFBEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255050248 474793742 /nfs/dbraw/zinc/79/37/42/474793742.db2.gz HTKWAFAQRNXGHC-WRLNGNIRSA-N 2 1 347.459 2.633 10 5 EFBEMP Cc1c([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cccc1[N+](=O)[O-] ZINC000423504171 477051818 /nfs/dbraw/zinc/05/18/18/477051818.db2.gz GMQLSGBICVOJBG-KLAILNCOSA-N 2 1 346.475 2.770 10 5 EFBEMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184735 478816690 /nfs/dbraw/zinc/81/66/90/478816690.db2.gz OGMCCNWZYGTCIW-HNNXBMFYSA-N 2 1 333.432 2.761 10 5 EFBEMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184735 478816699 /nfs/dbraw/zinc/81/66/99/478816699.db2.gz OGMCCNWZYGTCIW-HNNXBMFYSA-N 2 1 333.432 2.761 10 5 EFBEMP O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)nc2c1 ZINC000595901608 479059542 /nfs/dbraw/zinc/05/95/42/479059542.db2.gz YWRIXEHSMYYPRI-CQSZACIVSA-N 2 1 344.415 2.948 10 5 EFBEMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000593730191 479436377 /nfs/dbraw/zinc/43/63/77/479436377.db2.gz LKGAOXNEVNRQQV-OAUYIBNBSA-N 2 1 337.395 2.595 10 5 EFBEMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000593730191 479436381 /nfs/dbraw/zinc/43/63/81/479436381.db2.gz LKGAOXNEVNRQQV-OAUYIBNBSA-N 2 1 337.395 2.595 10 5 EFBEMP O=[N+]([O-])c1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cs1 ZINC000173946886 534880105 /nfs/dbraw/zinc/88/01/05/534880105.db2.gz BPKVRHOZAFREPD-UHFFFAOYSA-N 2 1 339.461 2.733 10 5 EFBEMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245430997 526084652 /nfs/dbraw/zinc/08/46/52/526084652.db2.gz NVFAKEDLWBSHKP-VQIMIIECSA-N 2 1 346.475 2.758 10 5 EFBEMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245430997 526084661 /nfs/dbraw/zinc/08/46/61/526084661.db2.gz NVFAKEDLWBSHKP-VQIMIIECSA-N 2 1 346.475 2.758 10 5 EFBEMP C[C@@H]1C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1C[NH3+] ZINC000923493143 1261777011 /nfs/dbraw/zinc/77/70/11/1261777011.db2.gz DUFYIVFCOBLOSV-ZYHUDNBSSA-N 2 1 342.237 2.774 10 5 EFBEMP C[C@@H]1C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1C[NH3+] ZINC000923493143 1261777016 /nfs/dbraw/zinc/77/70/16/1261777016.db2.gz DUFYIVFCOBLOSV-ZYHUDNBSSA-N 2 1 342.237 2.774 10 5 EFBEMP C[C@H]1C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1C[NH3+] ZINC000923493138 1261777458 /nfs/dbraw/zinc/77/74/58/1261777458.db2.gz DUFYIVFCOBLOSV-CMPLNLGQSA-N 2 1 342.237 2.774 10 5 EFBEMP C[C@H]1C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1C[NH3+] ZINC000923493138 1261777467 /nfs/dbraw/zinc/77/74/67/1261777467.db2.gz DUFYIVFCOBLOSV-CMPLNLGQSA-N 2 1 342.237 2.774 10 5 EFBEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000176083688 715050210 /nfs/dbraw/zinc/05/02/10/715050210.db2.gz ORPUPYGKFQSZOR-MRXNPFEDSA-N 2 1 340.387 2.572 10 5 EFBEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000176083688 715050212 /nfs/dbraw/zinc/05/02/12/715050212.db2.gz ORPUPYGKFQSZOR-MRXNPFEDSA-N 2 1 340.387 2.572 10 5 EFBEMP CC[N@H+]1CC[C@@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000444659967 250323311 /nfs/dbraw/zinc/32/33/11/250323311.db2.gz DVCKEISKEQMIOL-MLGOLLRUSA-N 2 1 331.420 2.633 10 5 EFBEMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190483592 473290879 /nfs/dbraw/zinc/29/08/79/473290879.db2.gz XXNPJIDVIBFOFB-SFHVURJKSA-N 2 1 340.427 2.944 10 5 EFBEMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177375484 473367435 /nfs/dbraw/zinc/36/74/35/473367435.db2.gz NIBGCTWHRNLVDI-HNNXBMFYSA-N 2 1 334.464 2.614 10 5 EFBEMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000245522232 473715428 /nfs/dbraw/zinc/71/54/28/473715428.db2.gz LPSDIZCWCAYJFA-JKSUJKDBSA-N 2 1 349.475 2.989 10 5 EFBEMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174884561 474112976 /nfs/dbraw/zinc/11/29/76/474112976.db2.gz NVFAKEDLWBSHKP-LPHOPBHVSA-N 2 1 346.475 2.758 10 5 EFBEMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174884561 474112982 /nfs/dbraw/zinc/11/29/82/474112982.db2.gz NVFAKEDLWBSHKP-LPHOPBHVSA-N 2 1 346.475 2.758 10 5 EFBEMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275467863 474197311 /nfs/dbraw/zinc/19/73/11/474197311.db2.gz HNFYVIXKGACVHA-CABCVRRESA-N 2 1 328.416 2.965 10 5 EFBEMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000600771875 478514181 /nfs/dbraw/zinc/51/41/81/478514181.db2.gz BWQSGVNLNVTADW-UHFFFAOYSA-N 2 1 349.456 2.991 10 5 EFBEMP O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900423 479060281 /nfs/dbraw/zinc/06/02/81/479060281.db2.gz FWDBALIBPZWBHC-INIZCTEOSA-N 2 1 333.432 2.685 10 5 EFBEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000596362890 479265126 /nfs/dbraw/zinc/26/51/26/479265126.db2.gz DTXLQRMLGVVBJQ-AWEZNQCLSA-N 2 1 345.447 2.827 10 5 EFBEMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2csc([N+](=O)[O-])c2)C1 ZINC000593324227 479296003 /nfs/dbraw/zinc/29/60/03/479296003.db2.gz ZEJIEGNPGVATSY-HZSPNIEDSA-N 2 1 325.434 2.517 10 5 EFBEMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2csc([N+](=O)[O-])c2)C1 ZINC000593324227 479296006 /nfs/dbraw/zinc/29/60/06/479296006.db2.gz ZEJIEGNPGVATSY-HZSPNIEDSA-N 2 1 325.434 2.517 10 5 EFBEMP C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1CC[NH3+] ZINC000923429177 1261636555 /nfs/dbraw/zinc/63/65/55/1261636555.db2.gz QXKJBLGVXXJMEQ-GHMZBOCLSA-N 2 1 342.237 2.774 10 5 EFBEMP C[C@H](O)CC[N@@H+](C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001180199784 1289458358 /nfs/dbraw/zinc/45/83/58/1289458358.db2.gz YIIISRBDUOMROW-INIZCTEOSA-N 2 1 349.475 2.552 10 5 EFBEMP C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903511195 1312792680 /nfs/dbraw/zinc/79/26/80/1312792680.db2.gz WYLHIBFCGYRORD-OIISXLGYSA-N 2 1 344.459 2.556 10 5 EFBEMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903975306 1313522611 /nfs/dbraw/zinc/52/26/11/1313522611.db2.gz ZOASMQWRWKISJL-WBVHZDCISA-N 2 1 347.459 2.664 10 5 EFBEMP C[N@H+]1C[C@@]23CN(CCOc4ccccc4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001656573986 1102124832 /nfs/dbraw/zinc/12/48/32/1102124832.db2.gz LMPDZAAZLWJBNC-KDURUIRLSA-N 2 1 345.443 2.781 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000183454602 235087157 /nfs/dbraw/zinc/08/71/57/235087157.db2.gz IGVWSKSQESIHIK-IYBDPMFKSA-N 2 1 335.448 2.882 10 5 EFBEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000105862394 204173109 /nfs/dbraw/zinc/17/31/09/204173109.db2.gz VUHLFMGGTDRFOB-CABCVRRESA-N 2 1 335.448 2.680 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246664321 205221904 /nfs/dbraw/zinc/22/19/04/205221904.db2.gz JEMRNDHXRKPEEH-LSDHHAIUSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246664321 205221906 /nfs/dbraw/zinc/22/19/06/205221906.db2.gz JEMRNDHXRKPEEH-LSDHHAIUSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246664321 205221911 /nfs/dbraw/zinc/22/19/11/205221911.db2.gz JEMRNDHXRKPEEH-LSDHHAIUSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246664321 205221914 /nfs/dbraw/zinc/22/19/14/205221914.db2.gz JEMRNDHXRKPEEH-LSDHHAIUSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246664297 205222339 /nfs/dbraw/zinc/22/23/39/205222339.db2.gz JEMRNDHXRKPEEH-GJZGRUSLSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246664297 205222344 /nfs/dbraw/zinc/22/23/44/205222344.db2.gz JEMRNDHXRKPEEH-GJZGRUSLSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246664297 205222348 /nfs/dbraw/zinc/22/23/48/205222348.db2.gz JEMRNDHXRKPEEH-GJZGRUSLSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246664297 205222352 /nfs/dbraw/zinc/22/23/52/205222352.db2.gz JEMRNDHXRKPEEH-GJZGRUSLSA-N 2 1 348.447 2.646 10 5 EFBEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000121089420 472796700 /nfs/dbraw/zinc/79/67/00/472796700.db2.gz HTKWAFAQRNXGHC-YERXGYGTSA-N 2 1 347.459 2.633 10 5 EFBEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000121089572 472797246 /nfs/dbraw/zinc/79/72/46/472797246.db2.gz HTKWAFAQRNXGHC-BIENSFFJSA-N 2 1 347.459 2.633 10 5 EFBEMP Cc1c(NC(=O)CC[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000123728005 473177720 /nfs/dbraw/zinc/17/77/20/473177720.db2.gz MROKTJXXKFFMSF-UKRRQHHQSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1c(NC(=O)CC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000123728005 473177726 /nfs/dbraw/zinc/17/77/26/473177726.db2.gz MROKTJXXKFFMSF-UKRRQHHQSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1c(NC(=O)CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000123728005 473177732 /nfs/dbraw/zinc/17/77/32/473177732.db2.gz MROKTJXXKFFMSF-UKRRQHHQSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1c(NC(=O)CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000123728005 473177739 /nfs/dbraw/zinc/17/77/39/473177739.db2.gz MROKTJXXKFFMSF-UKRRQHHQSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1c(NC(=O)CC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000123728005 473177743 /nfs/dbraw/zinc/17/77/43/473177743.db2.gz MROKTJXXKFFMSF-UKRRQHHQSA-N 2 1 348.447 2.646 10 5 EFBEMP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178319904 473490201 /nfs/dbraw/zinc/49/02/01/473490201.db2.gz CEFRNVSSAJAIHU-MRXNPFEDSA-N 2 1 330.388 2.773 10 5 EFBEMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178319904 473490209 /nfs/dbraw/zinc/49/02/09/473490209.db2.gz CEFRNVSSAJAIHU-MRXNPFEDSA-N 2 1 330.388 2.773 10 5 EFBEMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000283283605 474359521 /nfs/dbraw/zinc/35/95/21/474359521.db2.gz MFEQPODKVNFTGS-HOCLYGCPSA-N 2 1 348.447 2.586 10 5 EFBEMP Cc1c(NC(=O)CC[NH2+]C(C)(C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000452095706 476820654 /nfs/dbraw/zinc/82/06/54/476820654.db2.gz LWYRALZYDMTUHH-UHFFFAOYSA-N 2 1 348.447 2.696 10 5 EFBEMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000600775193 478515302 /nfs/dbraw/zinc/51/53/02/478515302.db2.gz LQJCSFACZHORFF-UHFFFAOYSA-N 2 1 333.388 2.523 10 5 EFBEMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000600778343 478516617 /nfs/dbraw/zinc/51/66/17/478516617.db2.gz YPCCRWSCKAOTOT-UHFFFAOYSA-N 2 1 333.388 2.523 10 5 EFBEMP O=[N+]([O-])c1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cs1 ZINC000594973587 478613983 /nfs/dbraw/zinc/61/39/83/478613983.db2.gz GOTZGLMQPCLHHQ-MRXNPFEDSA-N 2 1 347.440 2.513 10 5 EFBEMP O=[N+]([O-])c1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cs1 ZINC000594973587 478613991 /nfs/dbraw/zinc/61/39/91/478613991.db2.gz GOTZGLMQPCLHHQ-MRXNPFEDSA-N 2 1 347.440 2.513 10 5 EFBEMP C[NH+](C)CCC[N@H+](C)CCNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000596423799 479289373 /nfs/dbraw/zinc/28/93/73/479289373.db2.gz CCFWXAPLXLXONK-UHFFFAOYSA-N 2 1 330.379 2.828 10 5 EFBEMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000596423799 479289380 /nfs/dbraw/zinc/28/93/80/479289380.db2.gz CCFWXAPLXLXONK-UHFFFAOYSA-N 2 1 330.379 2.828 10 5 EFBEMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000593730186 479436646 /nfs/dbraw/zinc/43/66/46/479436646.db2.gz LKGAOXNEVNRQQV-CSMYWGQOSA-N 2 1 337.395 2.595 10 5 EFBEMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000593730186 479436649 /nfs/dbraw/zinc/43/66/49/479436649.db2.gz LKGAOXNEVNRQQV-CSMYWGQOSA-N 2 1 337.395 2.595 10 5 EFBEMP O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000588959495 479463213 /nfs/dbraw/zinc/46/32/13/479463213.db2.gz DSMHHZMNNRMDTO-HUUCEWRRSA-N 2 1 328.416 2.835 10 5 EFBEMP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](n4ccnc4)C3)nc2c1 ZINC000610581636 480342279 /nfs/dbraw/zinc/34/22/79/480342279.db2.gz FQFUIZHOPZYXFU-CYBMUJFWSA-N 2 1 327.344 2.770 10 5 EFBEMP O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H](n4ccnc4)C3)nc2c1 ZINC000610581636 480342284 /nfs/dbraw/zinc/34/22/84/480342284.db2.gz FQFUIZHOPZYXFU-CYBMUJFWSA-N 2 1 327.344 2.770 10 5 EFBEMP O=[N+]([O-])c1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000193694246 527349088 /nfs/dbraw/zinc/34/90/88/527349088.db2.gz OTDKQYORGBPMQJ-UHFFFAOYSA-N 2 1 348.403 2.811 10 5 EFBEMP C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)CC[C@@H]1C[NH3+] ZINC000923494412 1261780073 /nfs/dbraw/zinc/78/00/73/1261780073.db2.gz WYRJFBOKXSIWFZ-GHMZBOCLSA-N 2 1 342.237 2.774 10 5 EFBEMP C[NH+](C)CCOC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000735491905 1267340918 /nfs/dbraw/zinc/34/09/18/1267340918.db2.gz CZOWBKQLMWNJJE-UHFFFAOYSA-N 2 1 341.839 2.791 10 5 EFBEMP Cc1c(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000871786143 1287288076 /nfs/dbraw/zinc/28/80/76/1287288076.db2.gz RURJDAKFQBKLSB-GOOCMWNKSA-N 2 1 332.404 2.774 10 5 EFBEMP Cc1c(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000871786143 1287288081 /nfs/dbraw/zinc/28/80/81/1287288081.db2.gz RURJDAKFQBKLSB-GOOCMWNKSA-N 2 1 332.404 2.774 10 5 EFBEMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000846227185 1280077716 /nfs/dbraw/zinc/07/77/16/1280077716.db2.gz IQKFRPONQJJMAO-PVAVHDDUSA-N 2 1 337.395 2.595 10 5 EFBEMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001473809448 1397335044 /nfs/dbraw/zinc/33/50/44/1397335044.db2.gz ODTMFQIVNKIWEY-HNNXBMFYSA-N 2 1 342.399 2.579 10 5 EFBEMP C[NH+](C)CCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001612595089 1099070959 /nfs/dbraw/zinc/07/09/59/1099070959.db2.gz ZCXVAUKTAXSCKB-UHFFFAOYSA-N 2 1 348.369 2.909 10 5 EFBEMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001612595089 1099070972 /nfs/dbraw/zinc/07/09/72/1099070972.db2.gz ZCXVAUKTAXSCKB-UHFFFAOYSA-N 2 1 348.369 2.909 10 5 EFBEMP Cc1c(NC(=O)CC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000246739301 243304641 /nfs/dbraw/zinc/30/46/41/243304641.db2.gz MROKTJXXKFFMSF-ZFWWWQNUSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1c(NC(=O)CC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000246739301 243304646 /nfs/dbraw/zinc/30/46/46/243304646.db2.gz MROKTJXXKFFMSF-ZFWWWQNUSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1c(NC(=O)CC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000246739301 243304651 /nfs/dbraw/zinc/30/46/51/243304651.db2.gz MROKTJXXKFFMSF-ZFWWWQNUSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1c(NC(=O)CC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000246739301 243304656 /nfs/dbraw/zinc/30/46/56/243304656.db2.gz MROKTJXXKFFMSF-ZFWWWQNUSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123212897 222235417 /nfs/dbraw/zinc/23/54/17/222235417.db2.gz JEMRNDHXRKPEEH-HUUCEWRRSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123212897 222235418 /nfs/dbraw/zinc/23/54/18/222235418.db2.gz JEMRNDHXRKPEEH-HUUCEWRRSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123212897 222235420 /nfs/dbraw/zinc/23/54/20/222235420.db2.gz JEMRNDHXRKPEEH-HUUCEWRRSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123212897 222235421 /nfs/dbraw/zinc/23/54/21/222235421.db2.gz JEMRNDHXRKPEEH-HUUCEWRRSA-N 2 1 348.447 2.646 10 5 EFBEMP CN(Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000190488881 473292910 /nfs/dbraw/zinc/29/29/10/473292910.db2.gz JDUHELZMFSUSRK-QGZVFWFLSA-N 2 1 340.427 2.944 10 5 EFBEMP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000190488881 473292925 /nfs/dbraw/zinc/29/29/25/473292925.db2.gz JDUHELZMFSUSRK-QGZVFWFLSA-N 2 1 340.427 2.944 10 5 EFBEMP COc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000047968195 472790650 /nfs/dbraw/zinc/79/06/50/472790650.db2.gz MCCKKBWHQDHONU-UHFFFAOYSA-N 2 1 333.432 2.911 10 5 EFBEMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000411379714 477211739 /nfs/dbraw/zinc/21/17/39/477211739.db2.gz BQMDAKOBZPJGQM-WMLDXEAASA-N 2 1 348.447 2.586 10 5 EFBEMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000411379714 477211745 /nfs/dbraw/zinc/21/17/45/477211745.db2.gz BQMDAKOBZPJGQM-WMLDXEAASA-N 2 1 348.447 2.586 10 5 EFBEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000411379714 477211752 /nfs/dbraw/zinc/21/17/52/477211752.db2.gz BQMDAKOBZPJGQM-WMLDXEAASA-N 2 1 348.447 2.586 10 5 EFBEMP C[NH+](C)CCC[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000601199480 478720346 /nfs/dbraw/zinc/72/03/46/478720346.db2.gz VPNPHFFSLGIHMZ-OAHLLOKOSA-N 2 1 344.415 2.690 10 5 EFBEMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000593730189 479436750 /nfs/dbraw/zinc/43/67/50/479436750.db2.gz LKGAOXNEVNRQQV-JLZZUVOBSA-N 2 1 337.395 2.595 10 5 EFBEMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000593730189 479436753 /nfs/dbraw/zinc/43/67/53/479436753.db2.gz LKGAOXNEVNRQQV-JLZZUVOBSA-N 2 1 337.395 2.595 10 5 EFBEMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593739162 479441045 /nfs/dbraw/zinc/44/10/45/479441045.db2.gz YLNUPRRIMMIVJX-VKZRIFJHSA-N 2 1 333.432 2.874 10 5 EFBEMP [NH3+]C[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261611680 719752992 /nfs/dbraw/zinc/75/29/92/719752992.db2.gz BXTFLVGSXHOUEG-WBVHZDCISA-N 2 1 329.375 2.908 10 5 EFBEMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261611680 719752995 /nfs/dbraw/zinc/75/29/95/719752995.db2.gz BXTFLVGSXHOUEG-WBVHZDCISA-N 2 1 329.375 2.908 10 5 EFBEMP C[N@H+]1C[C@@]23CN(CCOc4ccc([N+](=O)[O-])cc4)C[C@]2(C1)CCCC3 ZINC001648660612 1092247252 /nfs/dbraw/zinc/24/72/52/1092247252.db2.gz MLYNVYFCJWLCDU-KDURUIRLSA-N 2 1 345.443 2.781 10 5 EFBEMP C[N@@H+]1C[C@]23C[NH+](CCOc4ccc([N+](=O)[O-])cc4)C[C@@]2(C1)CCCC3 ZINC001648660612 1092247267 /nfs/dbraw/zinc/24/72/67/1092247267.db2.gz MLYNVYFCJWLCDU-KDURUIRLSA-N 2 1 345.443 2.781 10 5 EFBEMP C[N@H+]1C[C@]23C[NH+](CCOc4ccc([N+](=O)[O-])cc4)C[C@@]2(C1)CCCC3 ZINC001648660612 1092247282 /nfs/dbraw/zinc/24/72/82/1092247282.db2.gz MLYNVYFCJWLCDU-KDURUIRLSA-N 2 1 345.443 2.781 10 5 EFBEMP C[NH+]1C[C@]23C[N@H+](CCOc4ccc([N+](=O)[O-])cc4)C[C@@]2(C1)CCCC3 ZINC001648660612 1092247291 /nfs/dbraw/zinc/24/72/91/1092247291.db2.gz MLYNVYFCJWLCDU-KDURUIRLSA-N 2 1 345.443 2.781 10 5 EFBEMP C[NH+]1C[C@]23C[N@@H+](CCOc4ccc([N+](=O)[O-])cc4)C[C@@]2(C1)CCCC3 ZINC001648660612 1092247304 /nfs/dbraw/zinc/24/73/04/1092247304.db2.gz MLYNVYFCJWLCDU-KDURUIRLSA-N 2 1 345.443 2.781 10 5 EFBEMP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001655329861 1101810415 /nfs/dbraw/zinc/81/04/15/1101810415.db2.gz MIZAQUNKELYUFS-QGZVFWFLSA-N 2 1 349.479 2.686 10 5 EFBEMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001655329861 1101810435 /nfs/dbraw/zinc/81/04/35/1101810435.db2.gz MIZAQUNKELYUFS-QGZVFWFLSA-N 2 1 349.479 2.686 10 5 EFBEMP CC[N@H+]1CC[C@@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000444659965 250323917 /nfs/dbraw/zinc/32/39/17/250323917.db2.gz DVCKEISKEQMIOL-BLLLJJGKSA-N 2 1 331.420 2.633 10 5 EFBEMP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178319893 533218975 /nfs/dbraw/zinc/21/89/75/533218975.db2.gz CEFRNVSSAJAIHU-INIZCTEOSA-N 2 1 330.388 2.773 10 5 EFBEMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178319893 533218983 /nfs/dbraw/zinc/21/89/83/533218983.db2.gz CEFRNVSSAJAIHU-INIZCTEOSA-N 2 1 330.388 2.773 10 5 EFBEMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000349979171 142386548 /nfs/dbraw/zinc/38/65/48/142386548.db2.gz WCXHCDCUKSIBAG-GOSISDBHSA-N 2 1 335.448 2.836 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123213158 222236992 /nfs/dbraw/zinc/23/69/92/222236992.db2.gz JEMRNDHXRKPEEH-CABCVRRESA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123213158 222236994 /nfs/dbraw/zinc/23/69/94/222236994.db2.gz JEMRNDHXRKPEEH-CABCVRRESA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123213158 222236995 /nfs/dbraw/zinc/23/69/95/222236995.db2.gz JEMRNDHXRKPEEH-CABCVRRESA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123213158 222236999 /nfs/dbraw/zinc/23/69/99/222236999.db2.gz JEMRNDHXRKPEEH-CABCVRRESA-N 2 1 348.447 2.646 10 5 EFBEMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275467870 474197585 /nfs/dbraw/zinc/19/75/85/474197585.db2.gz HNFYVIXKGACVHA-LSDHHAIUSA-N 2 1 328.416 2.965 10 5 EFBEMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275467866 474198135 /nfs/dbraw/zinc/19/81/35/474198135.db2.gz HNFYVIXKGACVHA-GJZGRUSLSA-N 2 1 328.416 2.965 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377634415 476491324 /nfs/dbraw/zinc/49/13/24/476491324.db2.gz WZADGYBQASYAOS-IBGZPJMESA-N 2 1 346.475 2.504 10 5 EFBEMP [NH3+]C1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCOCC1 ZINC000600776847 478516693 /nfs/dbraw/zinc/51/66/93/478516693.db2.gz SLMGXFRSYPFNQJ-UHFFFAOYSA-N 2 1 347.440 2.921 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593316417 479291115 /nfs/dbraw/zinc/29/11/15/479291115.db2.gz RLJHBLWFENRIFJ-JZXOWHBKSA-N 2 1 333.432 2.622 10 5 EFBEMP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000593318645 479292384 /nfs/dbraw/zinc/29/23/84/479292384.db2.gz QZDCSSHSMBJVLH-UHFFFAOYSA-N 2 1 345.399 2.621 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000593323728 479294631 /nfs/dbraw/zinc/29/46/31/479294631.db2.gz WBXZFULGRBGZAC-KBAYOESNSA-N 2 1 333.432 2.764 10 5 EFBEMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1[N+](=O)[O-] ZINC000593322928 479295469 /nfs/dbraw/zinc/29/54/69/479295469.db2.gz QDTZZTFQYSZXDF-LZLYRXPVSA-N 2 1 333.432 2.764 10 5 EFBEMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2csc([N+](=O)[O-])c2)C1 ZINC000593324229 479295909 /nfs/dbraw/zinc/29/59/09/479295909.db2.gz ZEJIEGNPGVATSY-MGPQQGTHSA-N 2 1 325.434 2.517 10 5 EFBEMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2csc([N+](=O)[O-])c2)C1 ZINC000593324229 479295912 /nfs/dbraw/zinc/29/59/12/479295912.db2.gz ZEJIEGNPGVATSY-MGPQQGTHSA-N 2 1 325.434 2.517 10 5 EFBEMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000593324046 479296407 /nfs/dbraw/zinc/29/64/07/479296407.db2.gz XLRMKDUJDAJVHI-XOKHGSTOSA-N 2 1 337.395 2.595 10 5 EFBEMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000846227184 1280076583 /nfs/dbraw/zinc/07/65/83/1280076583.db2.gz IQKFRPONQJJMAO-OIISXLGYSA-N 2 1 337.395 2.595 10 5 EFBEMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000846227183 1280077433 /nfs/dbraw/zinc/07/74/33/1280077433.db2.gz IQKFRPONQJJMAO-HYVNUMGLSA-N 2 1 337.395 2.595 10 5 EFBEMP C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1CC[NH3+] ZINC000903976824 1313524895 /nfs/dbraw/zinc/52/48/95/1313524895.db2.gz CHRKTGNHKWIGGO-GHMZBOCLSA-N 2 1 329.347 2.613 10 5 EFBEMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001308091126 1324793192 /nfs/dbraw/zinc/79/31/92/1324793192.db2.gz XUGJOOCGIOLGLF-HNNXBMFYSA-N 2 1 342.399 2.579 10 5 EFBEMP Cc1c([C@@H](C)[NH2+]CCCCC[NH+]2CCNCC2)cccc1[N+](=O)[O-] ZINC000925845929 719753567 /nfs/dbraw/zinc/75/35/67/719753567.db2.gz PYVVSWPTHBJYKP-MRXNPFEDSA-N 2 1 334.464 2.629 10 5 EFBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123485703 222286389 /nfs/dbraw/zinc/28/63/89/222286389.db2.gz PHBNQBPSJKOPNO-HUUCEWRRSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123485703 222286393 /nfs/dbraw/zinc/28/63/93/222286393.db2.gz PHBNQBPSJKOPNO-HUUCEWRRSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123485703 222286394 /nfs/dbraw/zinc/28/63/94/222286394.db2.gz PHBNQBPSJKOPNO-HUUCEWRRSA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123485703 222286396 /nfs/dbraw/zinc/28/63/96/222286396.db2.gz PHBNQBPSJKOPNO-HUUCEWRRSA-N 2 1 348.447 2.646 10 5 EFBEMP O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C3CC[NH+](C4CC4)CC3)c2c1 ZINC000577359239 320102980 /nfs/dbraw/zinc/10/29/80/320102980.db2.gz MLRZRSIMKXEFQV-UHFFFAOYSA-N 2 1 328.416 2.835 10 5 EFBEMP CN(Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000190488863 473292492 /nfs/dbraw/zinc/29/24/92/473292492.db2.gz JDUHELZMFSUSRK-KRWDZBQOSA-N 2 1 340.427 2.944 10 5 EFBEMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000190488863 473292501 /nfs/dbraw/zinc/29/25/01/473292501.db2.gz JDUHELZMFSUSRK-KRWDZBQOSA-N 2 1 340.427 2.944 10 5 EFBEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255050247 474793513 /nfs/dbraw/zinc/79/35/13/474793513.db2.gz HTKWAFAQRNXGHC-GMNBZTITSA-N 2 1 347.459 2.633 10 5 EFBEMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000411379713 477211323 /nfs/dbraw/zinc/21/13/23/477211323.db2.gz BQMDAKOBZPJGQM-RHSMWYFYSA-N 2 1 348.447 2.586 10 5 EFBEMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000411379713 477211328 /nfs/dbraw/zinc/21/13/28/477211328.db2.gz BQMDAKOBZPJGQM-RHSMWYFYSA-N 2 1 348.447 2.586 10 5 EFBEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000411379713 477211333 /nfs/dbraw/zinc/21/13/33/477211333.db2.gz BQMDAKOBZPJGQM-RHSMWYFYSA-N 2 1 348.447 2.586 10 5 EFBEMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595901246 479059782 /nfs/dbraw/zinc/05/97/82/479059782.db2.gz TWJFVNLEVNLRMO-HNNXBMFYSA-N 2 1 333.432 2.815 10 5 EFBEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC000596361257 479265077 /nfs/dbraw/zinc/26/50/77/479265077.db2.gz KLEXMWMEKCKALT-AWEZNQCLSA-N 2 1 345.447 2.827 10 5 EFBEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC000596361257 479265084 /nfs/dbraw/zinc/26/50/84/479265084.db2.gz KLEXMWMEKCKALT-AWEZNQCLSA-N 2 1 345.447 2.827 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593316413 479291321 /nfs/dbraw/zinc/29/13/21/479291321.db2.gz RLJHBLWFENRIFJ-BQFCYCMXSA-N 2 1 333.432 2.622 10 5 EFBEMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2csc([N+](=O)[O-])c2)C1 ZINC000593324228 479296376 /nfs/dbraw/zinc/29/63/76/479296376.db2.gz ZEJIEGNPGVATSY-MCIONIFRSA-N 2 1 325.434 2.517 10 5 EFBEMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2csc([N+](=O)[O-])c2)C1 ZINC000593324228 479296379 /nfs/dbraw/zinc/29/63/79/479296379.db2.gz ZEJIEGNPGVATSY-MCIONIFRSA-N 2 1 325.434 2.517 10 5 EFBEMP C[C@@H](NC[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000611407711 479370440 /nfs/dbraw/zinc/37/04/40/479370440.db2.gz MWFKGSQDIXYXHO-NVXWUHKLSA-N 2 1 343.427 2.738 10 5 EFBEMP Cc1c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cccc1[N+](=O)[O-] ZINC000593731509 479437542 /nfs/dbraw/zinc/43/75/42/479437542.db2.gz YMSXSIZFQKRSGN-JQHSSLGASA-N 2 1 333.432 2.764 10 5 EFBEMP Cc1cc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000866206915 1303563306 /nfs/dbraw/zinc/56/33/06/1303563306.db2.gz GJYVHUAEVKSXQZ-SUMWQHHRSA-N 2 1 326.400 2.982 10 5 EFBEMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001473809553 1397335215 /nfs/dbraw/zinc/33/52/15/1397335215.db2.gz ODTMFQIVNKIWEY-OAHLLOKOSA-N 2 1 342.399 2.579 10 5 EFBEMP C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1c1cc[nH+]cc1 ZINC001620542776 1090607521 /nfs/dbraw/zinc/60/75/21/1090607521.db2.gz JWHWDIFCRKRHGL-OAHLLOKOSA-N 2 1 342.399 2.579 10 5 EFBEMP CC[N@@H+](C)[C@H]1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000302741967 311198739 /nfs/dbraw/zinc/19/87/39/311198739.db2.gz DBCMEPDQRBLHHI-INIZCTEOSA-N 2 1 341.415 2.891 10 5 EFBEMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000573598585 319781508 /nfs/dbraw/zinc/78/15/08/319781508.db2.gz YAPWMFOGXDXISF-UHFFFAOYSA-N 2 1 339.399 2.869 10 5 EFBEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090538530 472632024 /nfs/dbraw/zinc/63/20/24/472632024.db2.gz LHOXKWSZZUSKSR-ZDUSSCGKSA-N 2 1 340.387 2.636 10 5 EFBEMP Cn1cc[nH+]c1CC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000105876672 472794588 /nfs/dbraw/zinc/79/45/88/472794588.db2.gz HFTTYAVKVVRCBH-UHFFFAOYSA-N 2 1 344.415 2.662 10 5 EFBEMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000182752458 474249057 /nfs/dbraw/zinc/24/90/57/474249057.db2.gz LPSDIZCWCAYJFA-HZPDHXFCSA-N 2 1 349.475 2.989 10 5 EFBEMP Cc1ccc([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC000423524850 477061653 /nfs/dbraw/zinc/06/16/53/477061653.db2.gz XJZRCFJDTKIYTP-ZLPCBKJTSA-N 2 1 346.475 2.770 10 5 EFBEMP C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)C[NH2+]CC2 ZINC000563270947 478501668 /nfs/dbraw/zinc/50/16/68/478501668.db2.gz GYUICHBFSHJSDN-UHFFFAOYSA-N 2 1 325.412 2.915 10 5 EFBEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC000596361942 479265316 /nfs/dbraw/zinc/26/53/16/479265316.db2.gz NDRUNEDMSDURCY-AWEZNQCLSA-N 2 1 345.447 2.827 10 5 EFBEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000596360376 479265667 /nfs/dbraw/zinc/26/56/67/479265667.db2.gz KAVYJOJGOMTBGT-AWEZNQCLSA-N 2 1 345.447 2.827 10 5 EFBEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000596360376 479265673 /nfs/dbraw/zinc/26/56/73/479265673.db2.gz KAVYJOJGOMTBGT-AWEZNQCLSA-N 2 1 345.447 2.827 10 5 EFBEMP CCO[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C[NH3+] ZINC000593314809 479289980 /nfs/dbraw/zinc/28/99/80/479289980.db2.gz FCNOIKBCJNBKOQ-FZKQIMNGSA-N 2 1 345.399 2.650 10 5 EFBEMP CCO[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C[NH3+] ZINC000593314809 479289991 /nfs/dbraw/zinc/28/99/91/479289991.db2.gz FCNOIKBCJNBKOQ-FZKQIMNGSA-N 2 1 345.399 2.650 10 5 EFBEMP CCO[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C[NH3+] ZINC000593317130 479291419 /nfs/dbraw/zinc/29/14/19/479291419.db2.gz QUBIUQRRFZAREA-RDTXWAMCSA-N 2 1 345.399 2.650 10 5 EFBEMP CCO[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C[NH3+] ZINC000593317130 479291424 /nfs/dbraw/zinc/29/14/24/479291424.db2.gz QUBIUQRRFZAREA-RDTXWAMCSA-N 2 1 345.399 2.650 10 5 EFBEMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000593319982 479293355 /nfs/dbraw/zinc/29/33/55/479293355.db2.gz HDEPKTCXIJAYLT-BYSCVUIBSA-N 2 1 345.443 2.969 10 5 EFBEMP Cc1c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cccc1[N+](=O)[O-] ZINC000593731510 479437377 /nfs/dbraw/zinc/43/73/77/479437377.db2.gz YMSXSIZFQKRSGN-KBAYOESNSA-N 2 1 333.432 2.764 10 5 EFBEMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593739161 479440787 /nfs/dbraw/zinc/44/07/87/479440787.db2.gz YLNUPRRIMMIVJX-NOVWEMISSA-N 2 1 333.432 2.874 10 5 EFBEMP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000193077164 525456865 /nfs/dbraw/zinc/45/68/65/525456865.db2.gz ITVSBTXMRCAUHS-UHFFFAOYSA-N 2 1 333.432 2.911 10 5 EFBEMP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246225912 527394501 /nfs/dbraw/zinc/39/45/01/527394501.db2.gz FIGDBJOYJPJDGG-AYOQOUSVSA-N 2 1 345.443 2.577 10 5 EFBEMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246225912 527394506 /nfs/dbraw/zinc/39/45/06/527394506.db2.gz FIGDBJOYJPJDGG-AYOQOUSVSA-N 2 1 345.443 2.577 10 5 EFBEMP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246225912 527394512 /nfs/dbraw/zinc/39/45/12/527394512.db2.gz FIGDBJOYJPJDGG-AYOQOUSVSA-N 2 1 345.443 2.577 10 5 EFBEMP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246225912 527394515 /nfs/dbraw/zinc/39/45/15/527394515.db2.gz FIGDBJOYJPJDGG-AYOQOUSVSA-N 2 1 345.443 2.577 10 5 EFBEMP C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)CC[C@@H]1C[NH3+] ZINC000923494416 1261779937 /nfs/dbraw/zinc/77/99/37/1261779937.db2.gz WYRJFBOKXSIWFZ-WDEREUQCSA-N 2 1 342.237 2.774 10 5 EFBEMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000746674812 1275750465 /nfs/dbraw/zinc/75/04/65/1275750465.db2.gz JPOJZLAAHZSEGV-INIZCTEOSA-N 2 1 339.411 2.667 10 5 EFBEMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000746674812 1275750468 /nfs/dbraw/zinc/75/04/68/1275750468.db2.gz JPOJZLAAHZSEGV-INIZCTEOSA-N 2 1 339.411 2.667 10 5 EFBEMP Cc1cc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000866206912 1303562747 /nfs/dbraw/zinc/56/27/47/1303562747.db2.gz GJYVHUAEVKSXQZ-CXAGYDPISA-N 2 1 326.400 2.982 10 5 EFBEMP Cc1cc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000866206914 1303562805 /nfs/dbraw/zinc/56/28/05/1303562805.db2.gz GJYVHUAEVKSXQZ-GUYCJALGSA-N 2 1 326.400 2.982 10 5 EFBEMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000925761933 717276031 /nfs/dbraw/zinc/27/60/31/717276031.db2.gz FSINLWYDTYZVIU-VXGBXAGGSA-N 2 1 328.210 2.717 10 5 EFBEMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000925762615 717348756 /nfs/dbraw/zinc/34/87/56/717348756.db2.gz MHURVECZVJFJKM-MFKMUULPSA-N 2 1 342.237 2.835 10 5 EFBEMP Cn1cc[nH+]c1CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105876564 141356536 /nfs/dbraw/zinc/35/65/36/141356536.db2.gz MPCCCJJSTLHBKU-UHFFFAOYSA-N 2 1 328.416 2.826 10 5 EFBEMP COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000373738961 151219194 /nfs/dbraw/zinc/21/91/94/151219194.db2.gz YOQBNPRJSKCCHM-UHFFFAOYSA-N 2 1 333.432 2.911 10 5 EFBEMP Cn1cc[nH+]c1CC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105876760 472794313 /nfs/dbraw/zinc/79/43/13/472794313.db2.gz DKHPWTQPLJVLFU-UHFFFAOYSA-N 2 1 344.415 2.662 10 5 EFBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000452098419 476822919 /nfs/dbraw/zinc/82/29/19/476822919.db2.gz TXLOFGMTZMVLNP-UHFFFAOYSA-N 2 1 348.447 2.696 10 5 EFBEMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184736 478817833 /nfs/dbraw/zinc/81/78/33/478817833.db2.gz OGMCCNWZYGTCIW-OAHLLOKOSA-N 2 1 333.432 2.761 10 5 EFBEMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184736 478817838 /nfs/dbraw/zinc/81/78/38/478817838.db2.gz OGMCCNWZYGTCIW-OAHLLOKOSA-N 2 1 333.432 2.761 10 5 EFBEMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592527179 478934603 /nfs/dbraw/zinc/93/46/03/478934603.db2.gz MDICALJWDGZIAM-FOWTUZBSSA-N 2 1 345.443 2.795 10 5 EFBEMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592527179 478934616 /nfs/dbraw/zinc/93/46/16/478934616.db2.gz MDICALJWDGZIAM-FOWTUZBSSA-N 2 1 345.443 2.795 10 5 EFBEMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592527181 478934725 /nfs/dbraw/zinc/93/47/25/478934725.db2.gz MDICALJWDGZIAM-VBKFSLOCSA-N 2 1 345.443 2.795 10 5 EFBEMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592527181 478934732 /nfs/dbraw/zinc/93/47/32/478934732.db2.gz MDICALJWDGZIAM-VBKFSLOCSA-N 2 1 345.443 2.795 10 5 EFBEMP C[C@H](NC[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000611407712 479371035 /nfs/dbraw/zinc/37/10/35/479371035.db2.gz MWFKGSQDIXYXHO-RDJZCZTQSA-N 2 1 343.427 2.738 10 5 EFBEMP O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000588959492 479463305 /nfs/dbraw/zinc/46/33/05/479463305.db2.gz DSMHHZMNNRMDTO-GJZGRUSLSA-N 2 1 328.416 2.835 10 5 EFBEMP C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000231464351 536463529 /nfs/dbraw/zinc/46/35/29/536463529.db2.gz IJGIAWMHPQSYGT-LBPRGKRZSA-N 2 1 342.237 2.931 10 5 EFBEMP C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000231464351 536463532 /nfs/dbraw/zinc/46/35/32/536463532.db2.gz IJGIAWMHPQSYGT-LBPRGKRZSA-N 2 1 342.237 2.931 10 5 EFBEMP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246225927 527393572 /nfs/dbraw/zinc/39/35/72/527393572.db2.gz FIGDBJOYJPJDGG-ZYSHUDEJSA-N 2 1 345.443 2.577 10 5 EFBEMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246225927 527393581 /nfs/dbraw/zinc/39/35/81/527393581.db2.gz FIGDBJOYJPJDGG-ZYSHUDEJSA-N 2 1 345.443 2.577 10 5 EFBEMP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246225927 527393586 /nfs/dbraw/zinc/39/35/86/527393586.db2.gz FIGDBJOYJPJDGG-ZYSHUDEJSA-N 2 1 345.443 2.577 10 5 EFBEMP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246225927 527393593 /nfs/dbraw/zinc/39/35/93/527393593.db2.gz FIGDBJOYJPJDGG-ZYSHUDEJSA-N 2 1 345.443 2.577 10 5 EFBEMP COc1ccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000903966790 1313507936 /nfs/dbraw/zinc/50/79/36/1313507936.db2.gz CIGKVRRTOGMZQR-OLZOCXBDSA-N 2 1 345.399 2.809 10 5 EFBEMP C[N@@H+]1C[C@]23C[NH+](CCOc4cccc([N+](=O)[O-])c4)C[C@@]2(C1)CCCC3 ZINC001460975039 1396276722 /nfs/dbraw/zinc/27/67/22/1396276722.db2.gz NIXLQLFCUITREH-KDURUIRLSA-N 2 1 345.443 2.781 10 5 EFBEMP C[N@H+]1C[C@]23C[NH+](CCOc4cccc([N+](=O)[O-])c4)C[C@@]2(C1)CCCC3 ZINC001460975039 1396276728 /nfs/dbraw/zinc/27/67/28/1396276728.db2.gz NIXLQLFCUITREH-KDURUIRLSA-N 2 1 345.443 2.781 10 5 EFBEMP C[NH+]1C[C@]23C[N@H+](CCOc4cccc([N+](=O)[O-])c4)C[C@@]2(C1)CCCC3 ZINC001460975039 1396276734 /nfs/dbraw/zinc/27/67/34/1396276734.db2.gz NIXLQLFCUITREH-KDURUIRLSA-N 2 1 345.443 2.781 10 5 EFBEMP C[NH+]1C[C@]23C[N@@H+](CCOc4cccc([N+](=O)[O-])c4)C[C@@]2(C1)CCCC3 ZINC001460975039 1396276739 /nfs/dbraw/zinc/27/67/39/1396276739.db2.gz NIXLQLFCUITREH-KDURUIRLSA-N 2 1 345.443 2.781 10 5 EFBEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncc([N+](=O)[O-])c2ccccc21 ZINC001652034252 1101423585 /nfs/dbraw/zinc/42/35/85/1101423585.db2.gz GMGSCFUMUVPPJL-AWEZNQCLSA-N 2 1 345.447 2.827 10 5 EFBEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncc([N+](=O)[O-])c2ccccc21 ZINC001652034252 1101423591 /nfs/dbraw/zinc/42/35/91/1101423591.db2.gz GMGSCFUMUVPPJL-AWEZNQCLSA-N 2 1 345.447 2.827 10 5 EFBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123485955 222286254 /nfs/dbraw/zinc/28/62/54/222286254.db2.gz PHBNQBPSJKOPNO-CABCVRRESA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123485955 222286257 /nfs/dbraw/zinc/28/62/57/222286257.db2.gz PHBNQBPSJKOPNO-CABCVRRESA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123485955 222286260 /nfs/dbraw/zinc/28/62/60/222286260.db2.gz PHBNQBPSJKOPNO-CABCVRRESA-N 2 1 348.447 2.646 10 5 EFBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123485955 222286261 /nfs/dbraw/zinc/28/62/61/222286261.db2.gz PHBNQBPSJKOPNO-CABCVRRESA-N 2 1 348.447 2.646 10 5 EFBEMP CCc1nccn1[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000137050192 473192491 /nfs/dbraw/zinc/19/24/91/473192491.db2.gz XQQGMZHNAXQTKC-SJORKVTESA-N 2 1 344.415 2.724 10 5 EFBEMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000283283588 474360450 /nfs/dbraw/zinc/36/04/50/474360450.db2.gz MFEQPODKVNFTGS-GDBMZVCRSA-N 2 1 348.447 2.586 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377634416 476490589 /nfs/dbraw/zinc/49/05/89/476490589.db2.gz WZADGYBQASYAOS-LJQANCHMSA-N 2 1 346.475 2.504 10 5 EFBEMP COc1ccc(-c2ccc(C[NH2+][C@@H]3CC[NH2+]C[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414946678 476895541 /nfs/dbraw/zinc/89/55/41/476895541.db2.gz UTIKCZPXVUTQPV-BLLLJJGKSA-N 2 1 345.399 2.951 10 5 EFBEMP COc1ccc(-c2ccc(C[NH2+][C@H]3CC[NH2+]C[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414946879 476895856 /nfs/dbraw/zinc/89/58/56/476895856.db2.gz UTIKCZPXVUTQPV-LRDDRELGSA-N 2 1 345.399 2.951 10 5 EFBEMP CC[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)C1 ZINC000573360052 479048331 /nfs/dbraw/zinc/04/83/31/479048331.db2.gz BQUTYVKPTHYZEO-GUYCJALGSA-N 2 1 330.432 2.939 10 5 EFBEMP CC[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](C)C1 ZINC000573360051 479048769 /nfs/dbraw/zinc/04/87/69/479048769.db2.gz BQUTYVKPTHYZEO-DYVFJYSZSA-N 2 1 330.432 2.939 10 5 EFBEMP O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000595900595 479060183 /nfs/dbraw/zinc/06/01/83/479060183.db2.gz HUHMVKKVLLVBGM-INIZCTEOSA-N 2 1 333.432 2.685 10 5 EFBEMP O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000595901469 479060259 /nfs/dbraw/zinc/06/02/59/479060259.db2.gz WNMYOFCQEMRQOM-MRXNPFEDSA-N 2 1 333.432 2.685 10 5 EFBEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599105294 479163017 /nfs/dbraw/zinc/16/30/17/479163017.db2.gz ZBMNVGOYMTUBBX-AWEZNQCLSA-N 2 1 345.447 2.827 10 5 EFBEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599105294 479163021 /nfs/dbraw/zinc/16/30/21/479163021.db2.gz ZBMNVGOYMTUBBX-AWEZNQCLSA-N 2 1 345.447 2.827 10 5 EFBEMP Cc1cc(NCC[N@@H+](C)CCC[NH+](C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000596425846 479290049 /nfs/dbraw/zinc/29/00/49/479290049.db2.gz WVKYEWCNQBHUPI-UHFFFAOYSA-N 2 1 345.447 2.747 10 5 EFBEMP Cc1cc(NCC[N@H+](C)CCC[NH+](C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000596425846 479290057 /nfs/dbraw/zinc/29/00/57/479290057.db2.gz WVKYEWCNQBHUPI-UHFFFAOYSA-N 2 1 345.447 2.747 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000593323727 479294533 /nfs/dbraw/zinc/29/45/33/479294533.db2.gz WBXZFULGRBGZAC-JQHSSLGASA-N 2 1 333.432 2.764 10 5 EFBEMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1[N+](=O)[O-] ZINC000593322926 479294714 /nfs/dbraw/zinc/29/47/14/479294714.db2.gz QDTZZTFQYSZXDF-JZXOWHBKSA-N 2 1 333.432 2.764 10 5 EFBEMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1[N+](=O)[O-] ZINC000593322925 479295102 /nfs/dbraw/zinc/29/51/02/479295102.db2.gz QDTZZTFQYSZXDF-JFIYKMOQSA-N 2 1 333.432 2.764 10 5 EFBEMP C[C@@H](NC[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000611407713 479370669 /nfs/dbraw/zinc/37/06/69/479370669.db2.gz MWFKGSQDIXYXHO-WBVHZDCISA-N 2 1 343.427 2.738 10 5 EFBEMP C[C@H](NC[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000611407710 479370730 /nfs/dbraw/zinc/37/07/30/479370730.db2.gz MWFKGSQDIXYXHO-DOTOQJQBSA-N 2 1 343.427 2.738 10 5 EFBEMP O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000588959498 479462609 /nfs/dbraw/zinc/46/26/09/479462609.db2.gz DSMHHZMNNRMDTO-LSDHHAIUSA-N 2 1 328.416 2.835 10 5 EFBEMP O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000588959490 479463365 /nfs/dbraw/zinc/46/33/65/479463365.db2.gz DSMHHZMNNRMDTO-CABCVRRESA-N 2 1 328.416 2.835 10 5 EFBEMP C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903511194 1312793222 /nfs/dbraw/zinc/79/32/22/1312793222.db2.gz WYLHIBFCGYRORD-BHYGNILZSA-N 2 1 344.459 2.556 10 5 EFBEMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903975304 1313522802 /nfs/dbraw/zinc/52/28/02/1313522802.db2.gz ZOASMQWRWKISJL-NVXWUHKLSA-N 2 1 347.459 2.664 10 5 EFBEMP Cc1ccc(C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC001620661891 1099368980 /nfs/dbraw/zinc/36/89/80/1099368980.db2.gz QLOIUQLBCLMEIN-UHFFFAOYSA-N 2 1 347.459 2.716 10 5 EFBEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001652034871 1101422651 /nfs/dbraw/zinc/42/26/51/1101422651.db2.gz SFSKVOFMAMGEIN-LBPRGKRZSA-N 2 1 328.844 2.932 10 5 EFBEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001652034871 1101422659 /nfs/dbraw/zinc/42/26/59/1101422659.db2.gz SFSKVOFMAMGEIN-LBPRGKRZSA-N 2 1 328.844 2.932 10 5 EFBEMP COc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000178316218 533559455 /nfs/dbraw/zinc/55/94/55/533559455.db2.gz UBVLAEXZLIQQIH-HNNXBMFYSA-N 2 1 330.388 2.773 10 5 EFBEMP COc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000178316218 533559458 /nfs/dbraw/zinc/55/94/58/533559458.db2.gz UBVLAEXZLIQQIH-HNNXBMFYSA-N 2 1 330.388 2.773 10 5 EFBEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1C ZINC000349075235 146048272 /nfs/dbraw/zinc/04/82/72/146048272.db2.gz OCAXKBNPPCSNTD-LJQANCHMSA-N 2 1 348.491 2.751 10 5 EFBEMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177375502 473367022 /nfs/dbraw/zinc/36/70/22/473367022.db2.gz NIBGCTWHRNLVDI-OAHLLOKOSA-N 2 1 334.464 2.614 10 5 EFBEMP Cc1c(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000174877645 474111501 /nfs/dbraw/zinc/11/15/01/474111501.db2.gz SHBQCOXNVCCDTE-SFHVURJKSA-N 2 1 346.475 2.505 10 5 EFBEMP Cc1c(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000174877645 474111507 /nfs/dbraw/zinc/11/15/07/474111507.db2.gz SHBQCOXNVCCDTE-SFHVURJKSA-N 2 1 346.475 2.505 10 5 EFBEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000247379994 474132861 /nfs/dbraw/zinc/13/28/61/474132861.db2.gz VUHLFMGGTDRFOB-HUUCEWRRSA-N 2 1 335.448 2.680 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000363868252 476501967 /nfs/dbraw/zinc/50/19/67/476501967.db2.gz NCYDEUSUOCTXMK-CGTJXYLNSA-N 2 1 333.432 2.587 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000363868252 476501975 /nfs/dbraw/zinc/50/19/75/476501975.db2.gz NCYDEUSUOCTXMK-CGTJXYLNSA-N 2 1 333.432 2.587 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000363868251 476502942 /nfs/dbraw/zinc/50/29/42/476502942.db2.gz NCYDEUSUOCTXMK-BPQIPLTHSA-N 2 1 333.432 2.587 10 5 EFBEMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000363868251 476502949 /nfs/dbraw/zinc/50/29/49/476502949.db2.gz NCYDEUSUOCTXMK-BPQIPLTHSA-N 2 1 333.432 2.587 10 5 EFBEMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000411379715 477211126 /nfs/dbraw/zinc/21/11/26/477211126.db2.gz BQMDAKOBZPJGQM-YOEHRIQHSA-N 2 1 348.447 2.586 10 5 EFBEMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000411379715 477211132 /nfs/dbraw/zinc/21/11/32/477211132.db2.gz BQMDAKOBZPJGQM-YOEHRIQHSA-N 2 1 348.447 2.586 10 5 EFBEMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000411379715 477211138 /nfs/dbraw/zinc/21/11/38/477211138.db2.gz BQMDAKOBZPJGQM-YOEHRIQHSA-N 2 1 348.447 2.586 10 5 EFBEMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000411379712 477211559 /nfs/dbraw/zinc/21/15/59/477211559.db2.gz BQMDAKOBZPJGQM-PBHICJAKSA-N 2 1 348.447 2.586 10 5 EFBEMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000411379712 477211564 /nfs/dbraw/zinc/21/15/64/477211564.db2.gz BQMDAKOBZPJGQM-PBHICJAKSA-N 2 1 348.447 2.586 10 5 EFBEMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000411379712 477211569 /nfs/dbraw/zinc/21/15/69/477211569.db2.gz BQMDAKOBZPJGQM-PBHICJAKSA-N 2 1 348.447 2.586 10 5 EFBEMP C[NH+](C)CCC[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000601199479 478719766 /nfs/dbraw/zinc/71/97/66/478719766.db2.gz VPNPHFFSLGIHMZ-HNNXBMFYSA-N 2 1 344.415 2.690 10 5 EFBEMP C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc2c1CC[NH2+]C2 ZINC000595894846 479055879 /nfs/dbraw/zinc/05/58/79/479055879.db2.gz ZLBLAZCUGIKHLJ-UHFFFAOYSA-N 2 1 325.412 2.915 10 5 EFBEMP O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)nc2c1 ZINC000595901607 479059417 /nfs/dbraw/zinc/05/94/17/479059417.db2.gz YWRIXEHSMYYPRI-AWEZNQCLSA-N 2 1 344.415 2.948 10 5 EFBEMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595901247 479060020 /nfs/dbraw/zinc/06/00/20/479060020.db2.gz TWJFVNLEVNLRMO-OAHLLOKOSA-N 2 1 333.432 2.815 10 5 EFBEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000596362923 479265623 /nfs/dbraw/zinc/26/56/23/479265623.db2.gz FLEZMBSTJWTQSZ-AWEZNQCLSA-N 2 1 345.447 2.827 10 5 EFBEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000596362923 479265628 /nfs/dbraw/zinc/26/56/28/479265628.db2.gz FLEZMBSTJWTQSZ-AWEZNQCLSA-N 2 1 345.447 2.827 10 5 EFBEMP CCO[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C[NH3+] ZINC000593317736 479290987 /nfs/dbraw/zinc/29/09/87/479290987.db2.gz VUFRGKTYMSQEOI-RDTXWAMCSA-N 2 1 345.399 2.650 10 5 EFBEMP CCO[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C[NH3+] ZINC000593317736 479290991 /nfs/dbraw/zinc/29/09/91/479290991.db2.gz VUFRGKTYMSQEOI-RDTXWAMCSA-N 2 1 345.399 2.650 10 5 EFBEMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000593320373 479293633 /nfs/dbraw/zinc/29/36/33/479293633.db2.gz HDEPKTCXIJAYLT-IWJYJPLXSA-N 2 1 345.443 2.969 10 5 EFBEMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000593324043 479296541 /nfs/dbraw/zinc/29/65/41/479296541.db2.gz XLRMKDUJDAJVHI-COXVUDFISA-N 2 1 337.395 2.595 10 5 EFBEMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000593324045 479296875 /nfs/dbraw/zinc/29/68/75/479296875.db2.gz XLRMKDUJDAJVHI-KBRIMQKVSA-N 2 1 337.395 2.595 10 5 EFBEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000178291207 534779402 /nfs/dbraw/zinc/77/94/02/534779402.db2.gz KVPRLUFDAXLQMO-INIZCTEOSA-N 2 1 330.388 2.643 10 5 EFBEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000178291207 534779407 /nfs/dbraw/zinc/77/94/07/534779407.db2.gz KVPRLUFDAXLQMO-INIZCTEOSA-N 2 1 330.388 2.643 10 5 EFBEMP C[C@H]1C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1C[NH3+] ZINC000923493140 1261777122 /nfs/dbraw/zinc/77/71/22/1261777122.db2.gz DUFYIVFCOBLOSV-JQWIXIFHSA-N 2 1 342.237 2.774 10 5 EFBEMP C[C@H]1C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1C[NH3+] ZINC000923493140 1261777127 /nfs/dbraw/zinc/77/71/27/1261777127.db2.gz DUFYIVFCOBLOSV-JQWIXIFHSA-N 2 1 342.237 2.774 10 5 EFBEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000176083671 715050165 /nfs/dbraw/zinc/05/01/65/715050165.db2.gz ORPUPYGKFQSZOR-INIZCTEOSA-N 2 1 340.387 2.572 10 5 EFBEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000176083671 715050166 /nfs/dbraw/zinc/05/01/66/715050166.db2.gz ORPUPYGKFQSZOR-INIZCTEOSA-N 2 1 340.387 2.572 10 5 EFBEMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000925762616 717348907 /nfs/dbraw/zinc/34/89/07/717348907.db2.gz MHURVECZVJFJKM-ZWNOBZJWSA-N 2 1 342.237 2.835 10 5 EFBEMP